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 1ms1_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXXc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.863 176.870 -0.012 0.000 1.165 1 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 1 L CB 0.000 42.067 42.059 0.013 0.000 0.961 2 A N 5.170 127.980 122.820 -0.017 0.000 2.406 2 A HA 0.707 5.021 4.320 -0.010 0.000 0.243 2 A C -2.375 175.204 177.584 -0.008 0.000 1.082 2 A CA -0.895 51.134 52.037 -0.013 0.000 0.786 2 A CB -0.560 18.431 19.000 -0.015 0.000 1.029 2 A HN 0.571 nan 8.150 nan 0.000 0.495 3 P HA 0.255 nan 4.420 nan 0.000 0.262 3 P C 1.015 178.312 177.300 -0.004 0.000 1.182 3 P CA 1.903 65.003 63.100 -0.001 0.000 0.761 3 P CB 0.613 32.313 31.700 0.001 0.000 0.795 4 G N 1.625 110.424 108.800 -0.002 0.000 2.234 4 G HA2 -0.225 3.729 3.960 -0.010 0.000 0.235 4 G HA3 -0.225 3.729 3.960 -0.010 0.000 0.235 4 G C 0.458 175.354 174.900 -0.007 0.000 0.997 4 G CA 0.026 45.124 45.100 -0.003 0.000 0.623 4 G HN 0.579 nan 8.290 nan 0.000 0.514 5 S N 0.226 115.921 115.700 -0.009 0.000 2.652 5 S HA 0.802 5.266 4.470 -0.010 0.000 0.270 5 S C 0.361 174.960 174.600 -0.001 0.000 1.243 5 S CA 0.448 58.639 58.200 -0.015 0.000 0.999 5 S CB 1.695 64.883 63.200 -0.021 0.000 0.973 5 S HN 1.713 nan 8.310 nan 0.000 0.544 6 S N 0.614 116.315 115.700 0.001 0.000 2.625 6 S HA 0.828 5.292 4.470 -0.010 0.000 0.271 6 S C -1.109 173.504 174.600 0.022 0.000 1.161 6 S CA -1.241 56.971 58.200 0.019 0.000 0.820 6 S CB 1.872 65.092 63.200 0.034 0.000 1.137 6 S HN 0.983 nan 8.310 nan 0.000 0.470 7 R N -0.846 119.677 120.500 0.039 0.000 2.752 7 R HA 0.841 5.175 4.340 -0.010 0.000 0.271 7 R C -1.587 174.759 176.300 0.077 0.000 1.026 7 R CA -0.963 55.168 56.100 0.051 0.000 0.901 7 R CB 1.178 31.488 30.300 0.016 0.000 1.243 7 R HN 1.225 nan 8.270 nan 0.000 0.463 8 V N -2.366 117.616 119.914 0.113 0.000 3.040 8 V HA 0.534 4.648 4.120 -0.010 0.000 0.312 8 V C -0.525 175.595 176.094 0.043 0.000 1.115 8 V CA -1.015 61.335 62.300 0.083 0.000 0.998 8 V CB 1.933 33.823 31.823 0.112 0.000 1.042 8 V HN 0.953 nan 8.190 nan 0.000 0.433 9 E N 1.136 121.335 120.200 -0.002 0.000 2.003 9 E HA 0.251 4.595 4.350 -0.010 0.000 0.279 9 E C 0.176 176.720 176.600 -0.093 0.000 1.132 9 E CA -0.423 55.956 56.400 -0.035 0.000 0.888 9 E CB 1.337 31.019 29.700 -0.031 0.000 1.056 9 E HN 0.748 nan 8.360 nan 0.000 0.399 10 L N 5.632 126.778 121.223 -0.127 0.000 2.145 10 L HA 0.191 4.525 4.340 -0.010 0.000 0.201 10 L C -0.078 176.455 176.870 -0.561 0.000 1.075 10 L CA 1.397 56.019 54.840 -0.362 0.000 0.773 10 L CB 0.209 41.996 42.059 -0.453 0.000 0.936 10 L HN 0.413 nan 8.230 nan 0.000 0.451 11 F N 1.806 121.453 119.950 -0.505 0.000 2.293 11 F HA 0.351 4.873 4.527 -0.010 0.000 0.370 11 F C 0.182 175.695 175.800 -0.478 0.000 1.090 11 F CA -0.725 56.773 58.000 -0.838 0.000 1.133 11 F CB 0.408 38.728 39.000 -1.133 0.000 1.360 11 F HN -0.172 nan 8.300 nan 0.000 0.489 12 K N 4.530 124.831 120.400 -0.164 0.000 2.262 12 K HA 0.279 4.593 4.320 -0.010 0.000 0.282 12 K C 0.147 176.888 176.600 0.234 0.000 1.066 12 K CA -0.788 55.523 56.287 0.040 0.000 0.901 12 K CB 0.897 33.389 32.500 -0.013 0.000 1.089 12 K HN 0.614 nan 8.250 nan 0.000 0.476 13 R N 2.831 123.470 120.500 0.231 0.000 2.583 13 R HA -0.106 4.228 4.340 -0.010 0.000 0.274 13 R C -0.398 175.929 176.300 0.046 0.000 0.998 13 R CA 0.249 56.446 56.100 0.162 0.000 1.081 13 R CB 0.025 30.352 30.300 0.045 0.000 0.940 13 R HN 0.741 nan 8.270 nan 0.000 0.413 14 Q N -0.282 119.510 119.800 -0.012 0.000 2.468 14 Q HA -0.297 4.037 4.340 -0.010 0.000 0.256 14 Q C 0.261 176.273 176.000 0.021 0.000 0.984 14 Q CA 1.341 57.124 55.803 -0.034 0.000 1.110 14 Q CB -1.184 27.495 28.738 -0.100 0.000 1.527 14 Q HN 0.898 nan 8.270 nan 0.000 0.535 15 S N -1.942 113.803 115.700 0.074 0.000 3.984 15 S HA 0.146 4.610 4.470 -0.010 0.000 0.221 15 S C 0.152 174.801 174.600 0.082 0.000 1.149 15 S CA 0.314 58.549 58.200 0.058 0.000 0.950 15 S CB 0.528 63.747 63.200 0.032 0.000 1.216 15 S HN 0.257 nan 8.310 nan 0.000 0.547 16 S N 2.745 118.519 115.700 0.124 0.000 2.552 16 S HA 0.288 4.752 4.470 -0.010 0.000 0.289 16 S C -0.410 174.308 174.600 0.198 0.000 1.304 16 S CA 0.312 58.574 58.200 0.103 0.000 1.063 16 S CB 0.410 63.602 63.200 -0.014 0.000 0.848 16 S HN 0.394 nan 8.310 nan 0.000 0.499 17 K N 1.379 121.851 120.400 0.119 0.000 2.156 17 K HA 0.701 5.016 4.320 -0.010 0.000 0.250 17 K C -0.484 176.208 176.600 0.153 0.000 0.955 17 K CA -0.857 55.515 56.287 0.140 0.000 0.855 17 K CB 1.571 34.126 32.500 0.092 0.000 1.101 17 K HN 0.465 nan 8.250 nan 0.000 0.434 18 V N -1.512 118.523 119.914 0.202 0.000 3.040 18 V HA 0.550 4.665 4.120 -0.010 0.000 0.312 18 V C -2.804 173.428 176.094 0.230 0.000 1.115 18 V CA -2.894 59.532 62.300 0.210 0.000 0.998 18 V CB 1.766 33.742 31.823 0.255 0.000 1.042 18 V HN 0.567 nan 8.190 nan 0.000 0.433 19 P HA 0.246 nan 4.420 nan 0.000 0.268 19 P C -0.853 176.573 177.300 0.209 0.000 1.541 19 P CA 0.181 63.382 63.100 0.168 0.000 1.093 19 P CB -0.368 31.398 31.700 0.111 0.000 1.551 20 F N 3.226 123.228 119.950 0.086 0.000 2.466 20 F HA 0.182 4.703 4.527 -0.010 0.000 0.363 20 F C 0.675 176.467 175.800 -0.013 0.000 1.109 20 F CA -0.555 57.462 58.000 0.027 0.000 1.161 20 F CB 0.422 39.374 39.000 -0.079 0.000 1.117 20 F HN 0.206 nan 8.300 nan 0.000 0.539 21 E N 6.960 126.821 120.200 -0.564 0.000 2.174 21 E HA 0.313 4.657 4.350 -0.010 0.000 0.282 21 E C -1.251 174.910 176.600 -0.732 0.000 0.992 21 E CA -0.715 55.403 56.400 -0.469 0.000 0.803 21 E CB 0.910 30.463 29.700 -0.245 0.000 1.090 21 E HN 0.715 nan 8.360 nan 0.000 0.396 22 K N 4.091 124.210 120.400 -0.468 0.000 2.571 22 K HA 0.125 4.439 4.320 -0.010 0.000 0.252 22 K C -1.386 175.121 176.600 -0.155 0.000 0.956 22 K CA -0.498 55.582 56.287 -0.345 0.000 0.822 22 K CB 0.999 33.298 32.500 -0.336 0.000 1.286 22 K HN 0.499 nan 8.250 nan 0.000 0.439 23 D N 3.237 123.570 120.400 -0.111 0.000 2.708 23 D HA -0.183 4.452 4.640 -0.010 0.000 0.236 23 D C 0.642 176.909 176.300 -0.055 0.000 1.146 23 D CA 2.041 56.003 54.000 -0.064 0.000 0.662 23 D CB -1.192 39.585 40.800 -0.039 0.000 1.059 23 D HN 1.111 nan 8.370 nan 0.000 0.428 24 G N -0.646 108.114 108.800 -0.066 0.000 2.168 24 G HA2 -0.376 3.578 3.960 -0.010 0.000 0.263 24 G HA3 -0.376 3.578 3.960 -0.010 0.000 0.263 24 G C 0.333 175.208 174.900 -0.043 0.000 0.977 24 G CA 0.902 45.973 45.100 -0.048 0.000 0.659 24 G HN 0.538 nan 8.290 nan 0.000 0.533 25 K N -0.210 120.157 120.400 -0.055 0.000 2.259 25 K HA 0.656 4.970 4.320 -0.010 0.000 0.252 25 K C -0.607 175.963 176.600 -0.050 0.000 0.936 25 K CA -0.718 55.548 56.287 -0.034 0.000 0.810 25 K CB 2.421 34.912 32.500 -0.015 0.000 1.143 25 K HN 0.020 nan 8.250 nan 0.000 0.427 26 V N 2.378 122.282 119.914 -0.017 0.000 2.495 26 V HA 0.439 4.553 4.120 -0.010 0.000 0.298 26 V C -0.574 175.548 176.094 0.046 0.000 1.031 26 V CA -0.610 61.689 62.300 -0.002 0.000 0.871 26 V CB 1.845 33.672 31.823 0.006 0.000 0.988 26 V HN 0.830 nan 8.190 nan 0.000 0.432 27 T N 2.988 117.601 114.554 0.098 0.000 2.893 27 T HA 0.368 4.712 4.350 -0.010 0.000 0.293 27 T C -0.691 174.098 174.700 0.149 0.000 1.027 27 T CA -0.701 61.469 62.100 0.116 0.000 0.988 27 T CB 1.877 70.820 68.868 0.125 0.000 1.043 27 T HN 0.561 nan 8.240 nan 0.000 0.461 28 E N 2.570 122.836 120.200 0.109 0.000 2.220 28 E HA 0.130 4.474 4.350 -0.010 0.000 0.272 28 E C -0.031 176.637 176.600 0.113 0.000 1.099 28 E CA 0.059 56.526 56.400 0.113 0.000 0.907 28 E CB 0.718 30.464 29.700 0.076 0.000 1.022 28 E HN 0.373 nan 8.360 nan 0.000 0.428 29 R N 2.374 122.967 120.500 0.155 0.000 2.494 29 R HA 0.327 4.661 4.340 -0.010 0.000 0.305 29 R C -0.641 175.743 176.300 0.141 0.000 0.959 29 R CA -0.697 55.473 56.100 0.116 0.000 0.864 29 R CB 1.138 31.478 30.300 0.067 0.000 1.159 29 R HN 0.183 nan 8.270 nan 0.000 0.446 30 V N 4.744 124.711 119.914 0.089 0.000 2.637 30 V HA 0.097 4.211 4.120 -0.010 0.000 0.296 30 V C 0.045 176.188 176.094 0.081 0.000 1.046 30 V CA -0.162 62.190 62.300 0.087 0.000 1.066 30 V CB 1.354 33.208 31.823 0.052 0.000 0.968 30 V HN 0.478 nan 8.190 nan 0.000 0.483 31 V N 4.509 124.442 119.914 0.031 0.000 2.435 31 V HA 0.240 4.354 4.120 -0.010 0.000 0.290 31 V C 1.073 177.065 176.094 -0.170 0.000 1.030 31 V CA -0.400 61.788 62.300 -0.187 0.000 0.881 31 V CB 1.207 32.641 31.823 -0.649 0.000 0.983 31 V HN 0.978 nan 8.190 nan 0.000 0.445 32 H N 2.820 121.764 119.070 -0.209 0.000 2.270 32 H HA 0.030 4.580 4.556 -0.010 0.000 0.299 32 H C 0.464 175.710 175.328 -0.137 0.000 1.077 32 H CA 1.653 57.629 56.048 -0.120 0.000 1.294 32 H CB 0.644 30.361 29.762 -0.074 0.000 1.371 32 H HN 0.591 nan 8.280 nan 0.000 0.491 33 S N -0.843 114.827 115.700 -0.050 0.000 2.549 33 S HA 0.456 4.920 4.470 -0.010 0.000 0.280 33 S C -1.493 172.900 174.600 -0.345 0.000 1.109 33 S CA -0.630 57.556 58.200 -0.023 0.000 0.905 33 S CB 1.840 65.179 63.200 0.232 0.000 1.081 33 S HN 0.196 nan 8.310 nan 0.000 0.477 34 F N 1.827 121.784 119.950 0.012 0.000 2.482 34 F HA 0.639 5.160 4.527 -0.010 0.000 0.331 34 F C 0.761 176.484 175.800 -0.127 0.000 1.115 34 F CA -0.634 57.310 58.000 -0.092 0.000 0.955 34 F CB 1.472 40.419 39.000 -0.089 0.000 1.136 34 F HN 0.229 nan 8.300 nan 0.000 0.452 35 R N 1.610 122.083 120.500 -0.044 0.000 2.869 35 R HA 0.657 4.991 4.340 -0.010 0.000 0.263 35 R C -1.068 175.199 176.300 -0.055 0.000 1.066 35 R CA -1.320 54.719 56.100 -0.102 0.000 0.960 35 R CB 1.936 32.071 30.300 -0.275 0.000 1.221 35 R HN 0.707 nan 8.270 nan 0.000 0.474 36 L N 1.165 122.424 121.223 0.060 0.000 3.664 36 L HA -0.137 4.197 4.340 -0.010 0.000 0.560 36 L C -2.195 174.680 176.870 0.007 0.000 1.285 36 L CA -0.403 54.497 54.840 0.101 0.000 0.864 36 L CB -1.113 40.971 42.059 0.042 0.000 1.512 36 L HN 0.384 nan 8.230 nan 0.000 0.853 37 P HA 0.320 nan 4.420 nan 0.000 0.271 37 P C -0.452 176.864 177.300 0.027 0.000 1.216 37 P CA 0.029 63.107 63.100 -0.037 0.000 0.776 37 P CB 1.557 33.262 31.700 0.008 0.000 0.881 38 A N 3.827 126.669 122.820 0.036 0.000 2.385 38 A HA 0.536 4.850 4.320 -0.010 0.000 0.290 38 A C -1.395 176.273 177.584 0.140 0.000 1.094 38 A CA -0.611 51.484 52.037 0.098 0.000 0.729 38 A CB 0.766 19.829 19.000 0.105 0.000 1.194 38 A HN 0.492 nan 8.150 nan 0.000 0.442 39 L N 4.354 125.682 121.223 0.174 0.000 2.325 39 L HA 0.813 5.148 4.340 -0.010 0.000 0.281 39 L C -0.412 176.589 176.870 0.218 0.000 1.004 39 L CA -0.344 54.632 54.840 0.227 0.000 0.823 39 L CB 1.695 43.920 42.059 0.276 0.000 1.236 39 L HN 0.944 nan 8.230 nan 0.000 0.415 40 V N 1.877 121.920 119.914 0.215 0.000 3.160 40 V HA 0.730 4.844 4.120 -0.010 0.000 0.310 40 V C -1.089 175.095 176.094 0.151 0.000 1.181 40 V CA -0.833 61.575 62.300 0.179 0.000 1.047 40 V CB 2.083 34.006 31.823 0.167 0.000 1.068 40 V HN 0.824 nan 8.190 nan 0.000 0.441 41 N N 0.931 119.701 118.700 0.117 0.000 2.446 41 N HA 0.570 5.304 4.740 -0.010 0.000 0.265 41 N C -1.217 174.327 175.510 0.056 0.000 0.975 41 N CA -0.440 52.655 53.050 0.074 0.000 0.928 41 N CB 1.649 40.173 38.487 0.062 0.000 1.160 41 N HN 0.721 nan 8.380 nan 0.000 0.495 42 V N 3.506 123.440 119.914 0.033 0.000 2.293 42 V HA 0.259 4.373 4.120 -0.010 0.000 0.275 42 V C 0.218 176.302 176.094 -0.017 0.000 1.021 42 V CA -0.656 61.649 62.300 0.008 0.000 0.815 42 V CB 0.471 32.285 31.823 -0.014 0.000 1.025 42 V HN 0.859 nan 8.190 nan 0.000 0.448 43 D N 4.129 124.523 120.400 -0.012 0.000 2.751 43 D HA -0.185 4.449 4.640 -0.010 0.000 0.233 43 D C 1.299 177.582 176.300 -0.029 0.000 1.149 43 D CA 2.216 56.202 54.000 -0.023 0.000 0.682 43 D CB -1.075 39.703 40.800 -0.036 0.000 1.068 43 D HN 1.329 nan 8.370 nan 0.000 0.429 44 G N -2.658 106.127 108.800 -0.024 0.000 2.213 44 G HA2 -0.242 3.712 3.960 -0.010 0.000 0.236 44 G HA3 -0.242 3.712 3.960 -0.010 0.000 0.236 44 G C 0.283 175.155 174.900 -0.046 0.000 0.991 44 G CA 0.047 45.128 45.100 -0.033 0.000 0.629 44 G HN 0.851 nan 8.290 nan 0.000 0.517 45 V N 2.852 122.741 119.914 -0.042 0.000 2.370 45 V HA 0.549 4.664 4.120 -0.010 0.000 0.279 45 V C 0.907 176.989 176.094 -0.020 0.000 1.029 45 V CA -0.381 61.892 62.300 -0.045 0.000 0.870 45 V CB 1.525 33.318 31.823 -0.050 0.000 0.984 45 V HN 0.362 nan 8.190 nan 0.000 0.451 46 M N 4.994 124.554 119.600 -0.068 0.000 2.217 46 M HA 0.343 4.817 4.480 -0.010 0.000 0.352 46 M C -0.841 175.546 176.300 0.146 0.000 1.376 46 M CA 0.149 55.437 55.300 -0.020 0.000 1.107 46 M CB 1.091 33.563 32.600 -0.213 0.000 1.723 46 M HN 0.426 nan 8.290 nan 0.000 0.461 47 V N 3.125 123.192 119.914 0.256 0.000 2.588 47 V HA 0.682 4.796 4.120 -0.010 0.000 0.304 47 V C -0.361 175.964 176.094 0.385 0.000 1.042 47 V CA -0.944 61.577 62.300 0.368 0.000 0.877 47 V CB 1.729 33.727 31.823 0.291 0.000 0.996 47 V HN 0.903 nan 8.190 nan 0.000 0.425 48 A N 6.070 129.150 122.820 0.433 0.000 2.273 48 A HA 0.892 5.206 4.320 -0.010 0.000 0.315 48 A C -0.802 176.952 177.584 0.282 0.000 1.256 48 A CA -0.377 51.850 52.037 0.316 0.000 0.851 48 A CB 0.493 19.646 19.000 0.254 0.000 1.172 48 A HN 0.773 nan 8.150 nan 0.000 0.508 49 I N 1.745 122.408 120.570 0.156 0.000 2.493 49 I HA 0.752 4.916 4.170 -0.010 0.000 0.298 49 I C 0.416 176.493 176.117 -0.066 0.000 0.998 49 I CA -0.097 61.256 61.300 0.089 0.000 1.137 49 I CB 2.156 40.232 38.000 0.127 0.000 1.310 49 I HN 0.825 nan 8.210 nan 0.000 0.445 50 A N 3.740 126.495 122.820 -0.108 0.000 2.536 50 A HA 0.556 4.870 4.320 -0.010 0.000 0.293 50 A C -1.902 175.625 177.584 -0.095 0.000 1.119 50 A CA -0.709 51.225 52.037 -0.171 0.000 0.654 50 A CB 1.079 19.814 19.000 -0.442 0.000 1.291 50 A HN 0.520 nan 8.150 nan 0.000 0.439 51 D N 1.035 121.377 120.400 -0.097 0.000 2.304 51 D HA 0.528 5.163 4.640 -0.010 0.000 0.250 51 D C 0.041 176.269 176.300 -0.119 0.000 1.107 51 D CA 0.799 54.733 54.000 -0.110 0.000 0.885 51 D CB 1.507 42.225 40.800 -0.136 0.000 1.192 51 D HN 0.803 nan 8.370 nan 0.000 0.436 52 A N 3.830 126.522 122.820 -0.213 0.000 2.412 52 A HA 0.321 4.635 4.320 -0.010 0.000 0.334 52 A C 0.062 177.272 177.584 -0.623 0.000 1.419 52 A CA -0.726 51.012 52.037 -0.498 0.000 0.930 52 A CB 0.183 18.885 19.000 -0.496 0.000 1.149 52 A HN 0.396 nan 8.150 nan 0.000 0.515 53 R N 3.049 123.241 120.500 -0.514 0.000 2.408 53 R HA 0.200 4.535 4.340 -0.010 0.000 0.308 53 R C -0.353 175.777 176.300 -0.283 0.000 1.210 53 R CA -0.146 55.766 56.100 -0.314 0.000 1.115 53 R CB 0.106 30.276 30.300 -0.217 0.000 1.127 53 R HN 0.838 nan 8.270 nan 0.000 0.523 54 Y N 1.380 121.582 120.300 -0.163 0.000 2.151 54 Y HA -0.279 4.265 4.550 -0.010 0.000 0.284 54 Y C 1.622 177.456 175.900 -0.111 0.000 1.166 54 Y CA 1.617 59.619 58.100 -0.163 0.000 1.163 54 Y CB 0.245 38.585 38.460 -0.200 0.000 0.974 54 Y HN 0.532 nan 8.280 nan 0.000 0.511 55 E N -1.987 118.233 120.200 0.033 0.000 2.434 55 E HA 0.118 4.462 4.350 -0.010 0.000 0.207 55 E C 0.447 176.886 176.600 -0.268 0.000 0.929 55 E CA 0.602 56.975 56.400 -0.045 0.000 1.001 55 E CB 1.031 30.706 29.700 -0.042 0.000 1.016 55 E HN 0.129 nan 8.360 nan 0.000 0.502 56 T N -1.132 113.190 114.554 -0.388 0.000 2.775 56 T HA 0.090 4.434 4.350 -0.010 0.000 0.320 56 T C -0.063 174.435 174.700 -0.337 0.000 1.597 56 T CA -0.121 61.583 62.100 -0.660 0.000 1.022 56 T CB 1.254 69.960 68.868 -0.271 0.000 1.485 56 T HN -0.032 nan 8.240 nan 0.000 0.494 57 S N 1.630 117.215 115.700 -0.192 0.000 2.575 57 S HA 0.247 4.711 4.470 -0.010 0.000 0.215 57 S C 0.589 175.162 174.600 -0.045 0.000 0.966 57 S CA -0.403 57.771 58.200 -0.043 0.000 0.911 57 S CB -0.549 62.753 63.200 0.170 0.000 0.780 57 S HN 0.608 nan 8.310 nan 0.000 0.514 58 F N 4.113 123.972 119.950 -0.151 0.000 2.623 58 F HA 0.095 4.616 4.527 -0.009 0.000 0.383 58 F C 0.930 176.655 175.800 -0.124 0.000 1.077 58 F CA -0.650 57.273 58.000 -0.129 0.000 1.268 58 F CB 0.225 39.159 39.000 -0.111 0.000 1.053 58 F HN 0.015 nan 8.300 nan 0.000 0.571 59 D N 2.931 122.914 120.400 -0.696 0.000 2.149 59 D HA -0.208 4.427 4.640 -0.010 0.000 0.198 59 D C 0.352 176.313 176.300 -0.565 0.000 0.990 59 D CA 1.527 55.198 54.000 -0.549 0.000 0.839 59 D CB -0.118 40.427 40.800 -0.425 0.000 0.948 59 D HN 0.484 nan 8.370 nan 0.000 0.460 60 N N 0.980 119.103 118.700 -0.962 0.000 3.234 60 N HA 0.113 4.848 4.740 -0.010 0.000 0.272 60 N C -0.355 175.108 175.510 -0.077 0.000 1.254 60 N CA -0.020 52.763 53.050 -0.446 0.000 1.087 60 N CB 0.905 39.181 38.487 -0.353 0.000 1.356 60 N HN 0.063 nan 8.380 nan 0.000 0.511 61 S N -0.812 114.859 115.700 -0.048 0.000 2.776 61 S HA 0.446 4.911 4.470 -0.010 0.000 0.292 61 S C -0.573 174.048 174.600 0.036 0.000 1.187 61 S CA -0.938 57.298 58.200 0.059 0.000 0.834 61 S CB 1.346 64.602 63.200 0.092 0.000 1.199 61 S HN 0.143 nan 8.310 nan 0.000 0.514 62 L N 1.341 122.604 121.223 0.065 0.000 2.500 62 L HA 0.516 4.850 4.340 -0.010 0.000 0.272 62 L C -1.137 175.837 176.870 0.173 0.000 1.149 62 L CA 0.598 55.509 54.840 0.119 0.000 0.897 62 L CB -0.895 41.231 42.059 0.112 0.000 1.178 62 L HN 0.570 nan 8.230 nan 0.000 0.473 63 I N 4.241 124.899 120.570 0.147 0.000 2.569 63 I HA 0.386 4.550 4.170 -0.010 0.000 0.290 63 I C -0.976 175.211 176.117 0.116 0.000 1.088 63 I CA -0.771 60.571 61.300 0.070 0.000 1.047 63 I CB 2.028 40.004 38.000 -0.040 0.000 1.237 63 I HN 0.428 nan 8.210 nan 0.000 0.421 64 D N 2.822 123.279 120.400 0.096 0.000 2.374 64 D HA 0.408 5.042 4.640 -0.010 0.000 0.239 64 D C -0.614 175.663 176.300 -0.038 0.000 0.991 64 D CA -0.314 53.739 54.000 0.089 0.000 0.960 64 D CB 2.295 43.237 40.800 0.237 0.000 1.284 64 D HN 0.321 nan 8.370 nan 0.000 0.512 65 T N 0.549 115.062 114.554 -0.069 0.000 2.728 65 T HA 0.316 4.660 4.350 -0.010 0.000 0.296 65 T C 0.111 174.746 174.700 -0.107 0.000 0.940 65 T CA -0.377 61.657 62.100 -0.109 0.000 1.013 65 T CB 0.787 69.555 68.868 -0.167 0.000 0.912 65 T HN 0.087 nan 8.240 nan 0.000 0.484 66 V N 2.970 122.872 119.914 -0.021 0.000 2.716 66 V HA 0.875 4.989 4.120 -0.010 0.000 0.304 66 V C -0.374 175.778 176.094 0.096 0.000 1.053 66 V CA -0.597 61.745 62.300 0.070 0.000 0.984 66 V CB 1.244 33.217 31.823 0.250 0.000 1.021 66 V HN 1.034 nan 8.190 nan 0.000 0.467 67 A N 5.670 128.577 122.820 0.144 0.000 2.393 67 A HA 0.819 5.134 4.320 -0.010 0.000 0.306 67 A C -0.806 176.954 177.584 0.292 0.000 1.050 67 A CA -0.849 51.347 52.037 0.264 0.000 0.724 67 A CB 1.488 20.688 19.000 0.333 0.000 1.248 67 A HN 0.838 nan 8.150 nan 0.000 0.424 68 K N 0.824 121.411 120.400 0.311 0.000 2.316 68 K HA 0.655 4.970 4.320 -0.010 0.000 0.251 68 K C -1.628 175.274 176.600 0.502 0.000 0.934 68 K CA -0.497 55.896 56.287 0.178 0.000 0.802 68 K CB 2.175 34.511 32.500 -0.272 0.000 1.171 68 K HN 0.755 nan 8.250 nan 0.000 0.426 69 Y N -1.976 118.563 120.300 0.397 0.000 2.553 69 Y HA 0.715 5.259 4.550 -0.009 0.000 0.347 69 Y C -0.721 175.147 175.900 -0.054 0.000 1.019 69 Y CA -1.114 57.136 58.100 0.249 0.000 1.032 69 Y CB 2.060 40.601 38.460 0.135 0.000 1.284 69 Y HN 0.424 nan 8.280 nan 0.000 0.466 70 S N 0.949 116.499 115.700 -0.250 0.000 2.548 70 S HA 0.516 4.980 4.470 -0.010 0.000 0.276 70 S C -0.393 174.005 174.600 -0.336 0.000 1.129 70 S CA -0.234 57.597 58.200 -0.615 0.000 0.931 70 S CB 1.465 63.703 63.200 -1.603 0.000 1.068 70 S HN 1.330 nan 8.310 nan 0.000 0.480 71 V N 0.715 120.487 119.914 -0.238 0.000 3.483 71 V HA 0.414 4.528 4.120 -0.010 0.000 0.301 71 V C 0.194 176.186 176.094 -0.170 0.000 1.389 71 V CA 0.400 62.608 62.300 -0.152 0.000 1.101 71 V CB -0.327 31.451 31.823 -0.074 0.000 0.971 71 V HN 0.800 nan 8.190 nan 0.000 0.434 72 D N -1.104 119.147 120.400 -0.248 0.000 2.788 72 D HA 0.178 4.812 4.640 -0.010 0.000 0.289 72 D C 0.071 176.255 176.300 -0.193 0.000 1.340 72 D CA -0.439 53.450 54.000 -0.184 0.000 0.831 72 D CB -0.373 40.335 40.800 -0.154 0.000 1.103 72 D HN 0.195 nan 8.370 nan 0.000 0.476 73 D N 0.268 120.525 120.400 -0.238 0.000 2.772 73 D HA -0.139 4.495 4.640 -0.010 0.000 0.233 73 D C 1.289 177.470 176.300 -0.197 0.000 1.143 73 D CA 1.528 55.415 54.000 -0.189 0.000 0.700 73 D CB -1.355 39.456 40.800 0.018 0.000 1.076 73 D HN 0.706 nan 8.370 nan 0.000 0.430 74 G N -0.498 107.958 108.800 -0.573 0.000 2.175 74 G HA2 -0.368 3.586 3.960 -0.010 0.000 0.244 74 G HA3 -0.368 3.586 3.960 -0.010 0.000 0.244 74 G C 0.821 175.586 174.900 -0.224 0.000 0.982 74 G CA 0.774 45.496 45.100 -0.630 0.000 0.641 74 G HN 0.428 nan 8.290 nan 0.000 0.527 75 E N 0.697 120.773 120.200 -0.206 0.000 2.046 75 E HA 0.153 4.497 4.350 -0.010 0.000 0.190 75 E C 1.701 178.250 176.600 -0.085 0.000 0.982 75 E CA 1.945 58.310 56.400 -0.058 0.000 0.800 75 E CB 0.028 29.701 29.700 -0.046 0.000 0.756 75 E HN 0.861 nan 8.360 nan 0.000 0.449 76 T N -2.653 111.742 114.554 -0.265 0.000 2.907 76 T HA 0.615 4.959 4.350 -0.010 0.000 0.292 76 T C -1.045 173.406 174.700 -0.415 0.000 1.043 76 T CA -0.943 61.051 62.100 -0.176 0.000 1.003 76 T CB 1.095 69.888 68.868 -0.126 0.000 1.084 76 T HN 0.087 nan 8.240 nan 0.000 0.483 77 W N 0.113 121.261 121.300 -0.254 0.000 3.033 77 W HA 0.622 5.276 4.660 -0.010 0.000 0.336 77 W C -0.275 176.015 176.519 -0.381 0.000 1.173 77 W CA -0.759 56.385 57.345 -0.336 0.000 1.185 77 W CB 1.551 30.780 29.460 -0.385 0.000 1.425 77 W HN 0.572 nan 8.180 nan 0.000 0.536 78 E N 0.936 120.922 120.200 -0.357 0.000 2.212 78 E HA 0.615 4.959 4.350 -0.010 0.000 0.270 78 E C -0.767 175.601 176.600 -0.387 0.000 0.956 78 E CA -0.533 55.583 56.400 -0.473 0.000 0.825 78 E CB 2.045 31.248 29.700 -0.828 0.000 1.167 78 E HN 0.230 nan 8.360 nan 0.000 0.400 79 T N 2.196 116.641 114.554 -0.183 0.000 2.863 79 T HA 0.481 4.825 4.350 -0.010 0.000 0.285 79 T C -0.331 174.406 174.700 0.061 0.000 1.009 79 T CA -0.859 61.203 62.100 -0.064 0.000 0.989 79 T CB 1.602 70.417 68.868 -0.087 0.000 1.004 79 T HN 0.448 nan 8.240 nan 0.000 0.455 80 Q N 1.411 121.291 119.800 0.134 0.000 2.590 80 Q HA 0.588 4.922 4.340 -0.010 0.000 0.295 80 Q C -1.763 174.294 176.000 0.095 0.000 0.973 80 Q CA -1.136 54.762 55.803 0.158 0.000 0.768 80 Q CB 1.291 30.196 28.738 0.278 0.000 1.479 80 Q HN 0.359 nan 8.270 nan 0.000 0.419 81 I N 1.811 122.408 120.570 0.044 0.000 2.312 81 I HA 0.297 4.461 4.170 -0.010 0.000 0.290 81 I C 0.769 176.725 176.117 -0.269 0.000 1.008 81 I CA -0.194 61.079 61.300 -0.045 0.000 1.226 81 I CB 0.837 38.853 38.000 0.027 0.000 1.371 81 I HN 0.997 nan 8.210 nan 0.000 0.468 82 A N 7.711 130.198 122.820 -0.555 0.000 1.898 82 A HA 0.213 4.527 4.320 -0.010 0.000 0.214 82 A C 0.900 178.039 177.584 -0.742 0.000 1.183 82 A CA 1.069 52.299 52.037 -1.345 0.000 0.622 82 A CB 0.147 18.074 19.000 -1.788 0.000 0.824 82 A HN 0.617 nan 8.150 nan 0.000 0.444 83 I N 0.165 120.493 120.570 -0.403 0.000 2.571 83 I HA 0.238 4.402 4.170 -0.010 0.000 0.289 83 I C -0.839 175.209 176.117 -0.114 0.000 1.115 83 I CA -0.842 60.332 61.300 -0.210 0.000 1.045 83 I CB 2.269 40.159 38.000 -0.183 0.000 1.238 83 I HN 0.262 nan 8.210 nan 0.000 0.424 84 K N 5.452 125.807 120.400 -0.074 0.000 2.110 84 K HA 0.475 4.790 4.320 -0.010 0.000 0.263 84 K C -0.372 176.207 176.600 -0.034 0.000 0.975 84 K CA -0.790 55.477 56.287 -0.035 0.000 0.895 84 K CB 1.340 33.805 32.500 -0.059 0.000 1.060 84 K HN 0.669 nan 8.250 nan 0.000 0.448 85 N N 0.718 119.419 118.700 0.002 0.000 2.294 85 N HA -0.106 4.628 4.740 -0.010 0.000 0.248 85 N C 0.607 176.103 175.510 -0.024 0.000 1.300 85 N CA -0.120 52.926 53.050 -0.007 0.000 0.925 85 N CB 0.803 39.311 38.487 0.036 0.000 1.188 85 N HN 0.792 nan 8.380 nan 0.000 0.512 86 S N -0.614 115.069 115.700 -0.027 0.000 2.474 86 S HA -0.104 4.360 4.470 -0.010 0.000 0.235 86 S C 0.607 175.193 174.600 -0.023 0.000 0.997 86 S CA 0.044 58.224 58.200 -0.035 0.000 0.949 86 S CB -0.388 62.789 63.200 -0.038 0.000 0.766 86 S HN 0.670 nan 8.310 nan 0.000 0.517 87 R N -0.390 120.107 120.500 -0.005 0.000 3.758 87 R HA -0.190 4.145 4.340 -0.010 0.000 0.299 87 R C 1.054 177.358 176.300 0.006 0.000 1.182 87 R CA 0.826 56.928 56.100 0.003 0.000 0.809 87 R CB -2.637 27.645 30.300 -0.030 0.000 1.249 87 R HN 0.698 nan 8.270 nan 0.000 0.497 88 A N 0.042 122.868 122.820 0.010 0.000 2.016 88 A HA 0.070 4.384 4.320 -0.010 0.000 0.217 88 A C 1.090 178.686 177.584 0.020 0.000 1.162 88 A CA 1.495 53.538 52.037 0.010 0.000 0.662 88 A CB 0.193 19.199 19.000 0.010 0.000 0.812 88 A HN 0.660 nan 8.150 nan 0.000 0.450 89 S N -2.581 113.137 115.700 0.030 0.000 2.688 89 S HA 0.356 4.821 4.470 -0.010 0.000 0.275 89 S C 0.686 175.308 174.600 0.037 0.000 1.175 89 S CA 0.433 58.652 58.200 0.032 0.000 0.818 89 S CB 0.620 63.841 63.200 0.036 0.000 1.157 89 S HN 0.800 nan 8.310 nan 0.000 0.482 90 S N -0.168 115.550 115.700 0.031 0.000 2.547 90 S HA -0.023 4.441 4.470 -0.010 0.000 0.235 90 S C 1.280 175.904 174.600 0.040 0.000 0.980 90 S CA 0.858 59.074 58.200 0.027 0.000 0.941 90 S CB -0.939 62.269 63.200 0.013 0.000 0.763 90 S HN 1.756 nan 8.310 nan 0.000 0.532 91 V N -2.280 117.666 119.914 0.054 0.000 3.159 91 V HA 0.452 4.566 4.120 -0.010 0.000 0.333 91 V C 0.141 176.278 176.094 0.072 0.000 1.424 91 V CA -0.691 61.649 62.300 0.067 0.000 1.125 91 V CB -0.400 31.472 31.823 0.082 0.000 1.075 91 V HN 0.248 nan 8.190 nan 0.000 0.482 92 S N 3.076 118.819 115.700 0.071 0.000 2.563 92 S HA 0.570 5.034 4.470 -0.010 0.000 0.284 92 S C 0.183 174.831 174.600 0.079 0.000 1.331 92 S CA -0.038 58.207 58.200 0.076 0.000 1.047 92 S CB 0.261 63.494 63.200 0.055 0.000 0.859 92 S HN 0.949 nan 8.310 nan 0.000 0.514 93 R N -0.730 119.819 120.500 0.081 0.000 2.634 93 R HA 0.574 4.908 4.340 -0.010 0.000 0.263 93 R C -1.740 174.586 176.300 0.043 0.000 1.060 93 R CA -1.078 55.060 56.100 0.063 0.000 0.898 93 R CB 0.567 30.891 30.300 0.040 0.000 1.253 93 R HN 0.386 nan 8.270 nan 0.000 0.461 94 V N -0.134 119.779 119.914 -0.002 0.000 2.435 94 V HA 0.831 4.945 4.120 -0.010 0.000 0.290 94 V C 0.405 176.462 176.094 -0.061 0.000 1.030 94 V CA -0.670 61.599 62.300 -0.053 0.000 0.881 94 V CB 1.090 32.861 31.823 -0.086 0.000 0.983 94 V HN 0.716 nan 8.190 nan 0.000 0.445 95 V N 0.047 119.914 119.914 -0.079 0.000 3.102 95 V HA 0.667 4.781 4.120 -0.010 0.000 0.312 95 V C -0.111 175.896 176.094 -0.146 0.000 1.135 95 V CA -0.757 61.480 62.300 -0.104 0.000 1.022 95 V CB 1.783 33.546 31.823 -0.100 0.000 1.056 95 V HN 0.936 nan 8.190 nan 0.000 0.436 96 D N 0.602 120.917 120.400 -0.140 0.000 2.697 96 D HA -0.103 4.531 4.640 -0.010 0.000 0.235 96 D C -2.261 173.967 176.300 -0.121 0.000 1.167 96 D CA 0.971 54.889 54.000 -0.137 0.000 0.656 96 D CB -1.030 39.650 40.800 -0.201 0.000 1.025 96 D HN 0.747 nan 8.370 nan 0.000 0.419 97 P HA 0.003 nan 4.420 nan 0.000 0.263 97 P C -0.263 177.034 177.300 -0.004 0.000 1.195 97 P CA 0.493 63.556 63.100 -0.061 0.000 0.762 97 P CB 0.798 32.468 31.700 -0.050 0.000 0.799 98 T N 2.894 117.462 114.554 0.023 0.000 2.812 98 T HA 0.386 4.731 4.350 -0.010 0.000 0.282 98 T C -0.105 174.797 174.700 0.336 0.000 0.990 98 T CA -0.488 61.703 62.100 0.152 0.000 0.960 98 T CB 1.245 70.187 68.868 0.123 0.000 0.948 98 T HN 0.066 nan 8.240 nan 0.000 0.438 99 V N 4.475 124.588 119.914 0.332 0.000 2.513 99 V HA 0.589 4.703 4.120 -0.010 0.000 0.299 99 V C -0.280 175.988 176.094 0.290 0.000 1.035 99 V CA -0.834 61.667 62.300 0.334 0.000 0.889 99 V CB 1.554 33.527 31.823 0.250 0.000 0.988 99 V HN 0.801 nan 8.190 nan 0.000 0.440 100 I N 3.984 124.724 120.570 0.283 0.000 2.465 100 I HA 0.495 4.660 4.170 -0.010 0.000 0.291 100 I C -0.737 175.523 176.117 0.237 0.000 1.014 100 I CA -0.886 60.505 61.300 0.152 0.000 1.093 100 I CB 2.324 40.295 38.000 -0.048 0.000 1.267 100 I HN 0.276 nan 8.210 nan 0.000 0.431 101 V N 6.126 126.137 119.914 0.163 0.000 2.427 101 V HA 0.441 4.556 4.120 -0.010 0.000 0.286 101 V C -0.163 176.011 176.094 0.133 0.000 1.034 101 V CA -0.550 61.843 62.300 0.154 0.000 0.893 101 V CB 1.607 33.494 31.823 0.107 0.000 0.982 101 V HN 0.634 nan 8.190 nan 0.000 0.452 102 K N 3.316 123.818 120.400 0.169 0.000 2.615 102 K HA 0.571 4.885 4.320 -0.010 0.000 0.249 102 K C 0.546 177.204 176.600 0.096 0.000 0.977 102 K CA 0.360 56.721 56.287 0.123 0.000 0.833 102 K CB 1.487 34.069 32.500 0.135 0.000 1.208 102 K HN 0.941 nan 8.250 nan 0.000 0.443 103 G N 3.697 112.523 108.800 0.045 0.000 2.591 103 G HA2 -0.403 3.551 3.960 -0.010 0.000 0.298 103 G HA3 -0.403 3.551 3.960 -0.010 0.000 0.298 103 G C 0.165 175.064 174.900 -0.001 0.000 1.195 103 G CA 0.611 45.721 45.100 0.017 0.000 0.989 103 G HN 0.824 nan 8.290 nan 0.000 0.551 104 N N 1.235 119.919 118.700 -0.027 0.000 2.279 104 N HA 0.156 4.890 4.740 -0.010 0.000 0.226 104 N C -0.006 175.437 175.510 -0.112 0.000 1.126 104 N CA 0.350 53.360 53.050 -0.067 0.000 0.846 104 N CB 0.374 38.812 38.487 -0.081 0.000 1.050 104 N HN 0.542 nan 8.380 nan 0.000 0.502 105 K N 0.807 121.156 120.400 -0.086 0.000 2.203 105 K HA 0.426 4.740 4.320 -0.010 0.000 0.251 105 K C -0.575 175.941 176.600 -0.140 0.000 0.944 105 K CA -0.648 55.524 56.287 -0.192 0.000 0.829 105 K CB 2.479 34.828 32.500 -0.253 0.000 1.125 105 K HN 0.059 nan 8.250 nan 0.000 0.430 106 L N 3.074 124.149 121.223 -0.247 0.000 2.298 106 L HA 0.366 4.701 4.340 -0.010 0.000 0.284 106 L C -0.879 175.957 176.870 -0.058 0.000 1.013 106 L CA -0.820 53.990 54.840 -0.048 0.000 0.824 106 L CB 0.509 42.558 42.059 -0.018 0.000 1.221 106 L HN 0.439 nan 8.230 nan 0.000 0.418 107 Y N 3.059 123.475 120.300 0.194 0.000 2.367 107 Y HA 0.450 4.996 4.550 -0.007 0.000 0.342 107 Y C -0.021 176.097 175.900 0.363 0.000 0.979 107 Y CA -0.689 57.581 58.100 0.282 0.000 1.161 107 Y CB 1.444 40.085 38.460 0.301 0.000 1.155 107 Y HN 0.172 nan 8.280 nan 0.000 0.503 108 V N 5.831 126.007 119.914 0.436 0.000 2.409 108 V HA 0.301 4.415 4.120 -0.010 0.000 0.291 108 V C -0.703 175.477 176.094 0.144 0.000 1.020 108 V CA -0.839 61.645 62.300 0.307 0.000 0.848 108 V CB 1.605 33.570 31.823 0.236 0.000 0.990 108 V HN 0.508 nan 8.190 nan 0.000 0.430 109 L N 7.654 128.871 121.223 -0.011 0.000 2.272 109 L HA 0.812 5.146 4.340 -0.010 0.000 0.289 109 L C -0.305 176.409 176.870 -0.260 0.000 1.032 109 L CA 0.026 54.695 54.840 -0.284 0.000 0.810 109 L CB 1.528 43.097 42.059 -0.816 0.000 1.205 109 L HN 0.604 nan 8.230 nan 0.000 0.422 110 V N 2.114 121.868 119.914 -0.266 0.000 2.876 110 V HA 0.934 5.048 4.120 -0.010 0.000 0.312 110 V C 0.337 176.221 176.094 -0.351 0.000 1.085 110 V CA -0.353 61.792 62.300 -0.259 0.000 0.945 110 V CB 1.122 32.834 31.823 -0.186 0.000 1.017 110 V HN 0.849 nan 8.190 nan 0.000 0.428 111 G N 1.134 109.738 108.800 -0.328 0.000 2.539 111 G HA2 0.500 4.454 3.960 -0.010 0.000 0.258 111 G HA3 0.500 4.454 3.960 -0.010 0.000 0.258 111 G C -0.283 174.409 174.900 -0.348 0.000 1.202 111 G CA 0.031 44.898 45.100 -0.387 0.000 0.851 111 G HN 1.271 nan 8.290 nan 0.000 0.556 112 S N -0.009 115.342 115.700 -0.582 0.000 2.594 112 S HA 0.667 5.131 4.470 -0.010 0.000 0.296 112 S C -1.533 172.743 174.600 -0.540 0.000 1.124 112 S CA -0.656 57.307 58.200 -0.395 0.000 1.011 112 S CB 0.623 63.602 63.200 -0.369 0.000 1.016 112 S HN 0.428 nan 8.310 nan 0.000 0.485 113 Y N 3.278 123.530 120.300 -0.080 0.000 2.462 113 Y HA 0.489 5.033 4.550 -0.010 0.000 0.346 113 Y C 1.169 177.068 175.900 -0.002 0.000 0.976 113 Y CA -0.904 57.197 58.100 0.003 0.000 1.044 113 Y CB 1.700 40.194 38.460 0.057 0.000 1.230 113 Y HN 0.591 nan 8.280 nan 0.000 0.455 114 N N 0.150 118.936 118.700 0.144 0.000 2.349 114 N HA -0.057 4.677 4.740 -0.010 0.000 0.180 114 N C 0.977 176.543 175.510 0.094 0.000 1.024 114 N CA 1.447 54.546 53.050 0.082 0.000 0.869 114 N CB 0.167 38.678 38.487 0.040 0.000 1.022 114 N HN 0.603 nan 8.380 nan 0.000 0.433 115 S N -2.042 113.725 115.700 0.112 0.000 2.800 115 S HA 0.180 4.644 4.470 -0.010 0.000 0.266 115 S C 0.268 174.919 174.600 0.085 0.000 1.029 115 S CA -0.543 57.707 58.200 0.084 0.000 1.302 115 S CB -0.045 63.187 63.200 0.054 0.000 1.212 115 S HN 0.056 nan 8.310 nan 0.000 0.683 116 S N 1.215 116.983 115.700 0.114 0.000 2.562 116 S HA 0.404 4.868 4.470 -0.010 0.000 0.281 116 S C 0.728 175.384 174.600 0.094 0.000 1.333 116 S CA -0.343 57.903 58.200 0.076 0.000 1.052 116 S CB 0.677 63.917 63.200 0.067 0.000 0.884 116 S HN 0.520 nan 8.310 nan 0.000 0.506 117 R N 1.972 122.534 120.500 0.103 0.000 2.397 117 R HA 0.277 4.611 4.340 -0.010 0.000 0.241 117 R C -0.095 176.336 176.300 0.219 0.000 0.914 117 R CA -0.076 56.131 56.100 0.178 0.000 1.071 117 R CB 0.675 31.079 30.300 0.174 0.000 1.116 117 R HN 0.422 nan 8.270 nan 0.000 0.524 118 S N -0.095 115.716 115.700 0.186 0.000 2.617 118 S HA 0.175 4.639 4.470 -0.010 0.000 0.283 118 S C -0.839 173.934 174.600 0.288 0.000 1.189 118 S CA -0.713 57.633 58.200 0.244 0.000 1.036 118 S CB 0.969 64.294 63.200 0.209 0.000 1.014 118 S HN 0.225 nan 8.310 nan 0.000 0.522 119 Y N 3.917 124.259 120.300 0.071 0.000 2.712 119 Y HA -0.065 4.479 4.550 -0.010 0.000 0.333 119 Y C 1.589 177.404 175.900 -0.143 0.000 1.225 119 Y CA -0.207 57.869 58.100 -0.040 0.000 1.499 119 Y CB 0.411 38.845 38.460 -0.044 0.000 1.288 119 Y HN 0.931 nan 8.280 nan 0.000 0.575 120 W N 4.460 125.112 121.300 -1.081 0.000 2.321 120 W HA -0.270 4.383 4.660 -0.011 0.000 0.306 120 W C 1.506 177.487 176.519 -0.897 0.000 1.217 120 W CA 2.233 58.828 57.345 -1.249 0.000 1.257 120 W CB -1.754 27.170 29.460 -0.894 0.000 1.145 120 W HN 0.636 nan 8.180 nan 0.000 0.509 121 T N -0.504 113.045 114.554 -1.675 0.000 3.113 121 T HA -0.058 4.286 4.350 -0.010 0.000 0.263 121 T C 1.900 176.351 174.700 -0.416 0.000 1.143 121 T CA 1.449 62.878 62.100 -1.118 0.000 1.090 121 T CB -0.703 67.584 68.868 -0.969 0.000 0.922 121 T HN 0.294 nan 8.240 nan 0.000 0.521 122 S N -0.076 115.502 115.700 -0.203 0.000 2.528 122 S HA 0.077 4.541 4.470 -0.010 0.000 0.219 122 S C 0.364 175.044 174.600 0.133 0.000 0.985 122 S CA -0.582 57.638 58.200 0.033 0.000 0.914 122 S CB -0.652 62.634 63.200 0.144 0.000 0.776 122 S HN 0.588 nan 8.310 nan 0.000 0.526 123 H N 1.620 120.646 119.070 -0.072 0.000 2.886 123 H HA 0.419 4.970 4.556 -0.009 0.000 0.329 123 H C 1.562 176.875 175.328 -0.026 0.000 1.044 123 H CA 0.145 56.185 56.048 -0.013 0.000 1.456 123 H CB 0.565 30.352 29.762 0.040 0.000 1.464 123 H HN 0.313 nan 8.280 nan 0.000 0.573 124 G N 2.162 111.019 108.800 0.095 0.000 2.511 124 G HA2 -0.036 3.918 3.960 -0.010 0.000 0.217 124 G HA3 -0.036 3.918 3.960 -0.010 0.000 0.217 124 G C -0.122 174.806 174.900 0.047 0.000 1.133 124 G CA 0.755 45.881 45.100 0.043 0.000 0.792 124 G HN 0.749 nan 8.290 nan 0.000 0.539 125 D N -2.900 117.548 120.400 0.081 0.000 2.825 125 D HA 0.535 5.169 4.640 -0.010 0.000 0.327 125 D C 0.140 176.527 176.300 0.144 0.000 1.277 125 D CA -0.159 53.891 54.000 0.084 0.000 0.950 125 D CB 0.765 41.602 40.800 0.062 0.000 1.438 125 D HN -0.036 nan 8.370 nan 0.000 0.526 126 A N -0.535 122.379 122.820 0.156 0.000 2.577 126 A HA 0.178 4.492 4.320 -0.010 0.000 0.280 126 A C 1.581 179.333 177.584 0.280 0.000 1.331 126 A CA -0.035 52.152 52.037 0.250 0.000 0.935 126 A CB -0.761 18.403 19.000 0.273 0.000 1.082 126 A HN 0.521 nan 8.150 nan 0.000 0.525 127 R N -0.395 120.216 120.500 0.186 0.000 2.159 127 R HA -0.155 4.179 4.340 -0.010 0.000 0.237 127 R C 0.687 177.073 176.300 0.143 0.000 1.131 127 R CA 1.984 58.166 56.100 0.137 0.000 0.982 127 R CB -0.292 30.056 30.300 0.080 0.000 0.868 127 R HN 0.263 nan 8.270 nan 0.000 0.453 128 D N -0.898 119.627 120.400 0.208 0.000 2.369 128 D HA 0.058 4.692 4.640 -0.010 0.000 0.211 128 D C -0.897 175.503 176.300 0.167 0.000 1.077 128 D CA -0.293 53.832 54.000 0.207 0.000 0.842 128 D CB 0.221 41.182 40.800 0.269 0.000 0.947 128 D HN 0.350 nan 8.370 nan 0.000 0.509 129 W N 0.779 122.016 121.300 -0.104 0.000 2.606 129 W HA 0.544 5.197 4.660 -0.011 0.000 0.332 129 W C -1.049 175.273 176.519 -0.329 0.000 1.052 129 W CA -0.633 56.461 57.345 -0.418 0.000 1.223 129 W CB 1.203 30.492 29.460 -0.285 0.000 1.383 129 W HN -0.293 nan 8.180 nan 0.000 0.524 130 D N 3.725 123.297 120.400 -1.381 0.000 2.570 130 D HA 0.396 5.030 4.640 -0.010 0.000 0.244 130 D C -1.951 173.284 176.300 -1.774 0.000 1.178 130 D CA -0.665 52.457 54.000 -1.464 0.000 0.881 130 D CB 2.268 42.640 40.800 -0.713 0.000 1.453 130 D HN 0.343 nan 8.370 nan 0.000 0.447 131 I N 1.969 121.719 120.570 -1.366 0.000 2.478 131 I HA 0.454 4.619 4.170 -0.010 0.000 0.287 131 I C -1.607 174.164 176.117 -0.577 0.000 1.042 131 I CA -0.383 60.316 61.300 -1.001 0.000 1.067 131 I CB 1.026 38.334 38.000 -1.152 0.000 1.233 131 I HN 0.325 nan 8.210 nan 0.000 0.431 132 L N 7.120 128.078 121.223 -0.442 0.000 2.354 132 L HA 0.636 4.970 4.340 -0.010 0.000 0.269 132 L C -1.230 175.533 176.870 -0.178 0.000 1.005 132 L CA -1.082 53.602 54.840 -0.260 0.000 0.819 132 L CB 1.985 43.912 42.059 -0.220 0.000 1.311 132 L HN 0.475 nan 8.230 nan 0.000 0.423 133 L N 2.233 123.422 121.223 -0.057 0.000 2.349 133 L HA 0.839 5.173 4.340 -0.010 0.000 0.278 133 L C -0.525 176.414 176.870 0.115 0.000 0.996 133 L CA -0.077 54.793 54.840 0.051 0.000 0.825 133 L CB 1.521 43.670 42.059 0.149 0.000 1.243 133 L HN 0.701 nan 8.230 nan 0.000 0.412 134 A N 4.665 127.574 122.820 0.148 0.000 2.350 134 A HA 0.839 5.153 4.320 -0.010 0.000 0.324 134 A C -1.338 176.398 177.584 0.254 0.000 1.118 134 A CA -0.578 51.576 52.037 0.196 0.000 0.783 134 A CB 1.660 20.773 19.000 0.187 0.000 1.236 134 A HN 0.476 nan 8.150 nan 0.000 0.457 135 V N 1.609 121.618 119.914 0.158 0.000 2.448 135 V HA 0.661 4.775 4.120 -0.010 0.000 0.295 135 V C 0.730 176.713 176.094 -0.185 0.000 1.025 135 V CA -0.163 62.088 62.300 -0.081 0.000 0.859 135 V CB 1.634 33.317 31.823 -0.233 0.000 0.988 135 V HN 1.147 nan 8.190 nan 0.000 0.431 136 G N 2.879 111.339 108.800 -0.566 0.000 2.372 136 G HA2 0.612 4.566 3.960 -0.010 0.000 0.323 136 G HA3 0.612 4.566 3.960 -0.010 0.000 0.323 136 G C -0.805 173.642 174.900 -0.755 0.000 1.152 136 G CA -0.366 43.982 45.100 -1.253 0.000 0.906 136 G HN 0.727 nan 8.290 nan 0.000 0.460 137 E N 1.907 121.745 120.200 -0.604 0.000 2.133 137 E HA 0.441 4.785 4.350 -0.010 0.000 0.274 137 E C -0.767 175.608 176.600 -0.376 0.000 0.930 137 E CA -0.596 55.570 56.400 -0.389 0.000 0.770 137 E CB 1.548 31.089 29.700 -0.264 0.000 1.104 137 E HN 0.195 nan 8.360 nan 0.000 0.403 138 V N 4.764 124.493 119.914 -0.309 0.000 2.383 138 V HA 0.324 4.438 4.120 -0.010 0.000 0.275 138 V C 0.165 176.141 176.094 -0.197 0.000 1.036 138 V CA -0.393 61.739 62.300 -0.279 0.000 0.889 138 V CB 1.109 32.789 31.823 -0.237 0.000 0.985 138 V HN 0.841 nan 8.190 nan 0.000 0.459 139 T N 2.523 116.964 114.554 -0.188 0.000 2.863 139 T HA 0.658 5.002 4.350 -0.010 0.000 0.285 139 T C -0.696 173.938 174.700 -0.110 0.000 1.009 139 T CA -1.013 61.010 62.100 -0.128 0.000 0.989 139 T CB 1.962 70.765 68.868 -0.108 0.000 1.004 139 T HN 0.502 nan 8.240 nan 0.000 0.455 140 K N 1.379 121.731 120.400 -0.080 0.000 2.203 140 K HA 0.778 5.092 4.320 -0.010 0.000 0.251 140 K C -0.486 176.087 176.600 -0.045 0.000 0.944 140 K CA -0.844 55.407 56.287 -0.060 0.000 0.829 140 K CB 2.100 34.568 32.500 -0.054 0.000 1.125 140 K HN 0.651 nan 8.250 nan 0.000 0.430 141 S N -0.580 115.100 115.700 -0.034 0.000 2.705 141 S HA 0.445 4.909 4.470 -0.010 0.000 0.280 141 S C -1.003 173.584 174.600 -0.020 0.000 1.174 141 S CA -0.572 57.613 58.200 -0.026 0.000 0.823 141 S CB 1.535 64.722 63.200 -0.023 0.000 1.162 141 S HN 0.677 nan 8.310 nan 0.000 0.487 142 T N -0.273 114.271 114.554 -0.017 0.000 3.571 142 T HA 0.552 4.897 4.350 -0.010 0.000 0.292 142 T C -0.012 174.681 174.700 -0.012 0.000 0.994 142 T CA 0.033 62.124 62.100 -0.015 0.000 0.996 142 T CB 0.147 69.005 68.868 -0.016 0.000 1.185 142 T HN 0.835 nan 8.240 nan 0.000 0.482 143 A N 0.870 123.684 122.820 -0.010 0.000 2.496 143 A HA 0.575 4.889 4.320 -0.010 0.000 0.278 143 A C 1.647 179.227 177.584 -0.007 0.000 1.137 143 A CA 0.495 52.527 52.037 -0.008 0.000 0.805 143 A CB -1.173 17.824 19.000 -0.005 0.000 1.077 143 A HN 1.729 nan 8.150 nan 0.000 0.513 144 G N 1.124 109.920 108.800 -0.008 0.000 2.168 144 G HA2 0.213 4.168 3.960 -0.010 0.000 0.197 144 G HA3 0.213 4.168 3.960 -0.010 0.000 0.197 144 G C 1.468 176.362 174.900 -0.009 0.000 0.997 144 G CA 0.704 45.799 45.100 -0.008 0.000 0.658 144 G HN 2.620 nan 8.290 nan 0.000 0.513 145 G N -0.914 107.880 108.800 -0.010 0.000 2.199 145 G HA2 -0.219 3.735 3.960 -0.010 0.000 0.254 145 G HA3 -0.219 3.735 3.960 -0.010 0.000 0.254 145 G C 0.254 175.146 174.900 -0.013 0.000 0.982 145 G CA 1.266 46.359 45.100 -0.011 0.000 0.632 145 G HN 1.265 nan 8.290 nan 0.000 0.529 146 K N 0.630 121.022 120.400 -0.014 0.000 2.207 146 K HA 0.684 4.998 4.320 -0.010 0.000 0.255 146 K C 0.378 176.967 176.600 -0.019 0.000 0.941 146 K CA -1.238 55.038 56.287 -0.017 0.000 0.825 146 K CB 1.887 34.376 32.500 -0.018 0.000 1.119 146 K HN 0.027 nan 8.250 nan 0.000 0.430 147 I N 3.065 123.621 120.570 -0.023 0.000 2.683 147 I HA -0.022 4.142 4.170 -0.010 0.000 0.286 147 I C 0.773 176.878 176.117 -0.020 0.000 1.175 147 I CA 0.617 61.902 61.300 -0.025 0.000 1.429 147 I CB -0.439 37.542 38.000 -0.032 0.000 1.371 147 I HN 0.804 nan 8.210 nan 0.000 0.569 148 T N 2.759 117.305 114.554 -0.012 0.000 2.901 148 T HA 0.918 5.263 4.350 -0.010 0.000 0.293 148 T C -0.586 174.118 174.700 0.007 0.000 1.084 148 T CA -0.855 61.249 62.100 0.006 0.000 1.008 148 T CB 2.522 71.397 68.868 0.012 0.000 1.170 148 T HN 0.794 nan 8.240 nan 0.000 0.509 149 A N 0.930 123.779 122.820 0.048 0.000 2.587 149 A HA 0.937 5.251 4.320 -0.010 0.000 0.293 149 A C -0.381 177.196 177.584 -0.011 0.000 1.087 149 A CA -0.623 51.407 52.037 -0.010 0.000 0.692 149 A CB 1.537 20.512 19.000 -0.041 0.000 1.291 149 A HN 1.850 nan 8.150 nan 0.000 0.407 150 S N -0.034 115.559 115.700 -0.177 0.000 2.564 150 S HA 0.841 5.305 4.470 -0.010 0.000 0.274 150 S C -1.073 173.286 174.600 -0.401 0.000 1.124 150 S CA -0.581 57.489 58.200 -0.217 0.000 0.869 150 S CB 1.222 64.383 63.200 -0.064 0.000 1.105 150 S HN 0.751 nan 8.310 nan 0.000 0.472 151 I N 1.434 121.753 120.570 -0.419 0.000 2.447 151 I HA 0.461 4.625 4.170 -0.010 0.000 0.287 151 I C -0.883 175.042 176.117 -0.320 0.000 1.023 151 I CA -0.717 60.309 61.300 -0.457 0.000 1.083 151 I CB 2.213 39.897 38.000 -0.528 0.000 1.245 151 I HN 0.624 nan 8.210 nan 0.000 0.434 152 K N 6.371 126.550 120.400 -0.368 0.000 2.263 152 K HA 0.351 4.666 4.320 -0.010 0.000 0.272 152 K C -1.748 174.652 176.600 -0.333 0.000 1.033 152 K CA -0.193 55.966 56.287 -0.214 0.000 0.884 152 K CB 0.564 32.981 32.500 -0.138 0.000 1.107 152 K HN 0.332 nan 8.250 nan 0.000 0.460 153 W N 3.065 124.352 121.300 -0.022 0.000 2.351 153 W HA 0.468 5.121 4.660 -0.010 0.000 0.311 153 W C 0.988 177.497 176.519 -0.018 0.000 1.168 153 W CA -0.476 56.857 57.345 -0.019 0.000 1.200 153 W CB 1.568 31.029 29.460 0.003 0.000 1.221 153 W HN 0.779 nan 8.180 nan 0.000 0.519 154 G N 1.356 110.267 108.800 0.185 0.000 2.504 154 G HA2 0.355 4.309 3.960 -0.010 0.000 0.288 154 G HA3 0.355 4.309 3.960 -0.010 0.000 0.288 154 G C -0.389 174.591 174.900 0.133 0.000 1.182 154 G CA -0.735 44.433 45.100 0.114 0.000 0.894 154 G HN 0.388 nan 8.290 nan 0.000 0.521 155 S N 1.333 117.083 115.700 0.082 0.000 2.560 155 S HA 0.251 4.715 4.470 -0.010 0.000 0.284 155 S C -1.946 172.690 174.600 0.060 0.000 1.327 155 S CA -0.439 57.796 58.200 0.059 0.000 1.055 155 S CB 0.857 64.078 63.200 0.036 0.000 0.868 155 S HN 0.407 nan 8.310 nan 0.000 0.506 156 P HA 0.280 nan 4.420 nan 0.000 0.271 156 P C -1.166 176.143 177.300 0.016 0.000 1.218 156 P CA -0.362 62.751 63.100 0.022 0.000 0.780 156 P CB 0.447 32.130 31.700 -0.028 0.000 0.901 157 V N 1.845 121.780 119.914 0.034 0.000 2.495 157 V HA 0.317 4.431 4.120 -0.010 0.000 0.298 157 V C 0.360 176.459 176.094 0.009 0.000 1.031 157 V CA -0.613 61.713 62.300 0.044 0.000 0.871 157 V CB 1.791 33.684 31.823 0.117 0.000 0.988 157 V HN 0.588 nan 8.190 nan 0.000 0.432 158 S N 4.176 119.859 115.700 -0.028 0.000 2.528 158 S HA 0.364 4.828 4.470 -0.010 0.000 0.277 158 S C 0.593 175.196 174.600 0.004 0.000 1.297 158 S CA -0.438 57.709 58.200 -0.088 0.000 1.052 158 S CB 0.261 63.379 63.200 -0.136 0.000 0.917 158 S HN 0.610 nan 8.310 nan 0.000 0.492 159 L N 5.024 126.255 121.223 0.014 0.000 2.700 159 L HA 0.251 4.586 4.340 -0.010 0.000 0.234 159 L C 2.182 179.200 176.870 0.247 0.000 1.156 159 L CA -0.068 54.933 54.840 0.269 0.000 0.946 159 L CB -0.273 41.973 42.059 0.312 0.000 1.216 159 L HN 0.719 nan 8.230 nan 0.000 0.493 160 K N 1.729 122.149 120.400 0.033 0.000 2.160 160 K HA -0.221 4.093 4.320 -0.010 0.000 0.206 160 K C 1.861 178.585 176.600 0.207 0.000 1.047 160 K CA 1.899 58.263 56.287 0.129 0.000 0.930 160 K CB 0.150 32.632 32.500 -0.031 0.000 0.720 160 K HN 0.554 nan 8.250 nan 0.000 0.450 161 E N -0.615 119.553 120.200 -0.054 0.000 2.333 161 E HA -0.188 4.156 4.350 -0.010 0.000 0.198 161 E C 0.974 177.497 176.600 -0.129 0.000 1.007 161 E CA 1.016 57.302 56.400 -0.190 0.000 0.845 161 E CB -0.299 29.129 29.700 -0.452 0.000 0.766 161 E HN 0.390 nan 8.360 nan 0.000 0.507 162 F N -0.000 120.202 119.950 0.421 0.000 2.765 162 F HA 0.214 4.736 4.527 -0.007 0.000 0.302 162 F C 0.399 176.618 175.800 0.698 0.000 1.111 162 F CA -0.661 57.643 58.000 0.506 0.000 1.359 162 F CB 0.355 39.692 39.000 0.562 0.000 1.097 162 F HN -0.039 nan 8.300 nan 0.000 0.577 163 F N 5.234 125.515 119.950 0.551 0.000 2.350 163 F HA 0.422 4.942 4.527 -0.011 0.000 0.365 163 F C -2.073 173.861 175.800 0.223 0.000 1.122 163 F CA -4.372 53.893 58.000 0.442 0.000 1.139 163 F CB 0.104 39.449 39.000 0.575 0.000 1.220 163 F HN -0.194 nan 8.300 nan 0.000 0.499 164 P HA 0.163 nan 4.420 nan 0.000 0.271 164 P C -0.067 177.005 177.300 -0.380 0.000 1.218 164 P CA -0.118 62.897 63.100 -0.142 0.000 0.780 164 P CB 1.249 32.882 31.700 -0.112 0.000 0.901 165 A N 2.475 125.167 122.820 -0.213 0.000 2.066 165 A HA -0.061 4.253 4.320 -0.010 0.000 0.218 165 A C 0.811 178.257 177.584 -0.231 0.000 1.157 165 A CA 1.147 53.064 52.037 -0.200 0.000 0.670 165 A CB -0.370 18.596 19.000 -0.057 0.000 0.804 165 A HN 0.701 nan 8.150 nan 0.000 0.453 166 E N -1.509 118.543 120.200 -0.247 0.000 2.340 166 E HA 0.671 5.015 4.350 -0.010 0.000 0.273 166 E C -1.246 175.211 176.600 -0.238 0.000 0.891 166 E CA -0.459 55.768 56.400 -0.289 0.000 0.757 166 E CB 1.970 31.469 29.700 -0.335 0.000 1.231 166 E HN 0.311 nan 8.360 nan 0.000 0.439 167 M N 1.102 120.570 119.600 -0.219 0.000 2.658 167 M HA 0.290 4.764 4.480 -0.010 0.000 0.295 167 M C -1.090 175.114 176.300 -0.160 0.000 1.248 167 M CA -1.109 54.093 55.300 -0.164 0.000 0.843 167 M CB 1.945 34.465 32.600 -0.133 0.000 1.749 167 M HN 0.315 nan 8.290 nan 0.000 0.464 168 E N 1.336 121.457 120.200 -0.132 0.000 3.072 168 E HA 0.172 4.516 4.350 -0.010 0.000 0.241 168 E C 1.013 177.537 176.600 -0.127 0.000 0.962 168 E CA 1.446 57.775 56.400 -0.119 0.000 0.955 168 E CB -0.867 28.769 29.700 -0.107 0.000 0.899 168 E HN 0.870 nan 8.360 nan 0.000 0.547 169 G N 2.304 111.039 108.800 -0.108 0.000 2.143 169 G HA2 -0.301 3.653 3.960 -0.010 0.000 0.248 169 G HA3 -0.301 3.653 3.960 -0.010 0.000 0.248 169 G C 0.114 174.967 174.900 -0.077 0.000 0.991 169 G CA 0.613 45.665 45.100 -0.079 0.000 0.689 169 G HN 0.631 nan 8.290 nan 0.000 0.522 170 M N -2.378 117.140 119.600 -0.136 0.000 2.773 170 M HA 0.628 5.102 4.480 -0.010 0.000 0.270 170 M C -1.507 174.659 176.300 -0.223 0.000 1.238 170 M CA -1.105 54.138 55.300 -0.094 0.000 0.832 170 M CB 1.310 33.878 32.600 -0.053 0.000 1.672 170 M HN 0.061 nan 8.290 nan 0.000 0.480 171 H N 1.360 120.400 119.070 -0.051 0.000 2.466 171 H HA 0.417 4.968 4.556 -0.009 0.000 0.338 171 H C -0.462 174.829 175.328 -0.061 0.000 1.091 171 H CA -0.229 55.778 56.048 -0.068 0.000 1.207 171 H CB 1.962 31.691 29.762 -0.056 0.000 1.466 171 H HN 0.843 nan 8.280 nan 0.000 0.493 172 T N 0.075 114.590 114.554 -0.065 0.000 2.899 172 T HA 0.022 4.366 4.350 -0.010 0.000 0.295 172 T C 0.857 175.544 174.700 -0.023 0.000 1.033 172 T CA -0.491 61.540 62.100 -0.114 0.000 1.084 172 T CB 1.742 70.224 68.868 -0.643 0.000 0.979 172 T HN 0.544 nan 8.240 nan 0.000 0.532 173 N N 1.022 119.774 118.700 0.088 0.000 2.984 173 N HA 0.156 4.890 4.740 -0.010 0.000 0.235 173 N C -0.148 175.342 175.510 -0.033 0.000 1.025 173 N CA 0.303 53.379 53.050 0.044 0.000 1.173 173 N CB 0.661 39.148 38.487 -0.001 0.000 1.615 173 N HN 0.825 nan 8.380 nan 0.000 0.560 174 Q N -1.090 118.617 119.800 -0.155 0.000 2.553 174 Q HA 0.477 4.811 4.340 -0.010 0.000 0.293 174 Q C -1.535 174.219 176.000 -0.410 0.000 1.038 174 Q CA -0.909 54.356 55.803 -0.897 0.000 0.777 174 Q CB 2.901 31.088 28.738 -0.918 0.000 1.487 174 Q HN 0.310 nan 8.270 nan 0.000 0.426 175 F N -1.081 118.373 119.950 -0.826 0.000 2.645 175 F HA 0.840 5.363 4.527 -0.007 0.000 0.310 175 F C -2.164 173.479 175.800 -0.260 0.000 1.102 175 F CA -0.997 56.772 58.000 -0.385 0.000 0.952 175 F CB 1.306 40.030 39.000 -0.460 0.000 1.326 175 F HN 0.393 nan 8.300 nan 0.000 0.456 176 L N 1.589 122.623 121.223 -0.315 0.000 2.415 176 L HA 0.765 5.099 4.340 -0.010 0.000 0.256 176 L C 0.359 177.105 176.870 -0.207 0.000 1.010 176 L CA -1.232 53.345 54.840 -0.439 0.000 0.826 176 L CB 2.111 43.769 42.059 -0.669 0.000 1.405 176 L HN 1.060 nan 8.230 nan 0.000 0.410 177 G N -0.519 108.136 108.800 -0.242 0.000 2.634 177 G HA2 0.355 4.309 3.960 -0.010 0.000 0.255 177 G HA3 0.355 4.309 3.960 -0.010 0.000 0.255 177 G C 0.797 175.670 174.900 -0.045 0.000 1.205 177 G CA 0.186 45.218 45.100 -0.114 0.000 0.884 177 G HN 0.855 nan 8.290 nan 0.000 0.549 178 G N -1.135 107.701 108.800 0.060 0.000 3.088 178 G HA2 0.547 4.501 3.960 -0.010 0.000 0.212 178 G HA3 0.547 4.501 3.960 -0.010 0.000 0.212 178 G C 0.858 175.769 174.900 0.018 0.000 1.173 178 G CA 1.184 46.322 45.100 0.063 0.000 0.779 178 G HN 2.064 nan 8.290 nan 0.000 0.540 179 A N -2.133 120.690 122.820 0.005 0.000 4.772 179 A HA 0.441 4.755 4.320 -0.010 0.000 0.553 179 A C 1.450 179.060 177.584 0.044 0.000 1.107 179 A CA 0.788 52.821 52.037 -0.007 0.000 0.419 179 A CB -1.127 17.828 19.000 -0.075 0.000 3.151 179 A HN 2.454 nan 8.150 nan 0.000 0.491 180 G N -2.398 106.429 108.800 0.044 0.000 2.528 180 G HA2 0.246 4.200 3.960 -0.010 0.000 0.262 180 G HA3 0.246 4.200 3.960 -0.010 0.000 0.262 180 G C 0.219 175.201 174.900 0.136 0.000 1.200 180 G CA 0.595 45.743 45.100 0.080 0.000 0.951 180 G HN 2.367 nan 8.290 nan 0.000 0.566 181 V N 0.969 120.974 119.914 0.151 0.000 2.495 181 V HA 0.771 4.885 4.120 -0.010 0.000 0.298 181 V C 0.941 177.138 176.094 0.171 0.000 1.031 181 V CA 0.317 62.718 62.300 0.169 0.000 0.871 181 V CB 0.745 32.661 31.823 0.154 0.000 0.988 181 V HN 1.876 nan 8.190 nan 0.000 0.432 182 A N 5.438 128.358 122.820 0.166 0.000 3.068 182 A HA 1.006 5.320 4.320 -0.010 0.000 0.229 182 A C -0.274 177.330 177.584 0.035 0.000 1.561 182 A CA -0.546 51.557 52.037 0.111 0.000 0.876 182 A CB 1.013 20.068 19.000 0.091 0.000 1.700 182 A HN 1.062 nan 8.150 nan 0.000 0.535 183 I N -3.652 116.898 120.570 -0.032 0.000 3.191 183 I HA 0.736 4.900 4.170 -0.010 0.000 0.313 183 I C -1.429 174.641 176.117 -0.078 0.000 1.193 183 I CA -1.135 60.149 61.300 -0.027 0.000 0.968 183 I CB 2.002 40.004 38.000 0.003 0.000 1.262 183 I HN 0.250 nan 8.210 nan 0.000 0.456 184 V N 2.919 122.801 119.914 -0.054 0.000 2.370 184 V HA 0.676 4.790 4.120 -0.010 0.000 0.283 184 V C 0.797 176.857 176.094 -0.057 0.000 1.023 184 V CA -0.343 61.912 62.300 -0.075 0.000 0.857 184 V CB 0.997 32.786 31.823 -0.058 0.000 0.985 184 V HN 0.938 nan 8.190 nan 0.000 0.443 185 A N 3.778 126.555 122.820 -0.072 0.000 2.346 185 A HA 0.410 4.725 4.320 -0.010 0.000 0.252 185 A C 1.603 179.151 177.584 -0.061 0.000 1.089 185 A CA 0.374 52.372 52.037 -0.065 0.000 0.797 185 A CB 0.282 19.230 19.000 -0.087 0.000 1.047 185 A HN 1.215 nan 8.150 nan 0.000 0.494 186 S N 0.344 116.011 115.700 -0.056 0.000 2.469 186 S HA -0.183 4.281 4.470 -0.010 0.000 0.238 186 S C 1.017 175.583 174.600 -0.056 0.000 0.998 186 S CA 1.351 59.520 58.200 -0.052 0.000 0.957 186 S CB -0.574 62.594 63.200 -0.053 0.000 0.764 186 S HN 0.919 nan 8.310 nan 0.000 0.514 187 N N 1.024 119.685 118.700 -0.066 0.000 2.322 187 N HA 0.246 4.980 4.740 -0.010 0.000 0.194 187 N C 1.238 176.705 175.510 -0.072 0.000 1.126 187 N CA 0.631 53.641 53.050 -0.066 0.000 0.845 187 N CB -0.392 38.052 38.487 -0.072 0.000 0.976 187 N HN 0.585 nan 8.380 nan 0.000 0.475 188 G N -0.290 108.465 108.800 -0.075 0.000 2.225 188 G HA2 -0.309 3.645 3.960 -0.010 0.000 0.254 188 G HA3 -0.309 3.645 3.960 -0.010 0.000 0.254 188 G C -0.227 174.602 174.900 -0.119 0.000 0.988 188 G CA -0.037 45.012 45.100 -0.086 0.000 0.625 188 G HN 0.491 nan 8.290 nan 0.000 0.527 189 N N 0.716 119.345 118.700 -0.119 0.000 2.407 189 N HA 0.352 5.086 4.740 -0.010 0.000 0.250 189 N C 0.729 176.134 175.510 -0.174 0.000 1.236 189 N CA 0.174 53.138 53.050 -0.143 0.000 0.879 189 N CB 0.427 38.855 38.487 -0.097 0.000 1.088 189 N HN 0.406 nan 8.380 nan 0.000 0.450 190 L N 1.702 122.764 121.223 -0.269 0.000 2.319 190 L HA 0.275 4.610 4.340 -0.010 0.000 0.280 190 L C -0.271 176.521 176.870 -0.130 0.000 1.099 190 L CA -0.497 54.174 54.840 -0.281 0.000 0.828 190 L CB 0.533 42.334 42.059 -0.431 0.000 1.150 190 L HN 0.107 nan 8.230 nan 0.000 0.442 191 V N 4.335 124.182 119.914 -0.112 0.000 2.443 191 V HA 0.330 4.444 4.120 -0.010 0.000 0.293 191 V C -0.867 175.240 176.094 0.021 0.000 1.021 191 V CA -0.578 61.741 62.300 0.032 0.000 0.848 191 V CB 1.376 33.208 31.823 0.015 0.000 0.998 191 V HN 0.427 nan 8.190 nan 0.000 0.424 192 Y N 6.290 126.772 120.300 0.302 0.000 2.328 192 Y HA 0.477 5.022 4.550 -0.009 0.000 0.337 192 Y C -2.159 173.919 175.900 0.298 0.000 0.966 192 Y CA -2.660 55.611 58.100 0.285 0.000 1.136 192 Y CB 2.453 41.105 38.460 0.320 0.000 1.170 192 Y HN 0.445 nan 8.280 nan 0.000 0.470 193 P HA 0.135 nan 4.420 nan 0.000 0.281 193 P C -0.923 176.591 177.300 0.356 0.000 1.252 193 P CA -0.106 63.218 63.100 0.374 0.000 0.778 193 P CB 1.331 33.220 31.700 0.315 0.000 0.895 194 V N 1.045 121.165 119.914 0.343 0.000 3.001 194 V HA 0.632 4.746 4.120 -0.010 0.000 0.314 194 V C -0.510 175.711 176.094 0.213 0.000 1.099 194 V CA -1.159 61.295 62.300 0.257 0.000 0.989 194 V CB 1.829 33.807 31.823 0.258 0.000 1.040 194 V HN 0.570 nan 8.190 nan 0.000 0.434 195 Q N 1.783 121.680 119.800 0.162 0.000 2.271 195 Q HA 0.850 5.184 4.340 -0.010 0.000 0.258 195 Q C -1.291 174.795 176.000 0.142 0.000 0.936 195 Q CA -0.788 55.103 55.803 0.146 0.000 0.909 195 Q CB 2.124 31.005 28.738 0.237 0.000 1.253 195 Q HN 0.636 nan 8.270 nan 0.000 0.440 196 V N 1.595 121.421 119.914 -0.147 0.000 2.876 196 V HA 0.584 4.698 4.120 -0.010 0.000 0.312 196 V C -0.120 175.704 176.094 -0.449 0.000 1.085 196 V CA -0.722 61.404 62.300 -0.291 0.000 0.945 196 V CB 2.086 33.501 31.823 -0.680 0.000 1.017 196 V HN 1.030 nan 8.190 nan 0.000 0.428 197 T N 0.349 114.822 114.554 -0.136 0.000 2.918 197 T HA 0.696 5.041 4.350 -0.010 0.000 0.286 197 T C -0.470 174.301 174.700 0.118 0.000 1.026 197 T CA -0.839 61.207 62.100 -0.090 0.000 1.031 197 T CB 1.962 70.672 68.868 -0.262 0.000 1.046 197 T HN 0.789 nan 8.240 nan 0.000 0.479 198 N N 0.300 119.116 118.700 0.194 0.000 2.741 198 N HA 0.406 5.140 4.740 -0.010 0.000 0.310 198 N C 0.499 176.039 175.510 0.050 0.000 1.295 198 N CA -1.212 51.938 53.050 0.167 0.000 0.893 198 N CB 0.545 39.152 38.487 0.200 0.000 1.247 198 N HN 0.323 nan 8.380 nan 0.000 0.596 199 K N -0.091 120.336 120.400 0.045 0.000 2.504 199 K HA 0.051 4.365 4.320 -0.010 0.000 0.195 199 K C 0.389 176.974 176.600 -0.026 0.000 1.036 199 K CA 0.632 56.923 56.287 0.007 0.000 0.984 199 K CB -0.160 32.341 32.500 0.002 0.000 0.788 199 K HN 0.581 nan 8.250 nan 0.000 0.488 200 K N 0.563 120.937 120.400 -0.043 0.000 2.404 200 K HA 0.068 4.382 4.320 -0.010 0.000 0.194 200 K C -0.081 176.466 176.600 -0.088 0.000 1.023 200 K CA 0.011 56.251 56.287 -0.079 0.000 1.094 200 K CB 0.243 32.667 32.500 -0.128 0.000 0.841 200 K HN 0.020 nan 8.250 nan 0.000 0.523 201 K N 0.418 120.772 120.400 -0.076 0.000 3.281 201 K HA -0.216 4.098 4.320 -0.010 0.000 0.295 201 K C -0.656 175.881 176.600 -0.106 0.000 1.233 201 K CA 0.697 56.923 56.287 -0.101 0.000 0.866 201 K CB -1.602 30.847 32.500 -0.085 0.000 1.265 201 K HN 0.343 nan 8.250 nan 0.000 0.482 202 Q N 0.600 120.345 119.800 -0.091 0.000 2.306 202 Q HA 0.495 4.829 4.340 -0.010 0.000 0.241 202 Q C -0.255 175.818 176.000 0.122 0.000 0.948 202 Q CA -0.412 55.355 55.803 -0.059 0.000 0.886 202 Q CB 2.200 30.730 28.738 -0.348 0.000 1.227 202 Q HN 0.121 nan 8.270 nan 0.000 0.457 203 V N 3.430 123.468 119.914 0.205 0.000 2.628 203 V HA 0.785 4.899 4.120 -0.010 0.000 0.306 203 V C -1.439 174.931 176.094 0.460 0.000 1.045 203 V CA -0.429 61.985 62.300 0.190 0.000 0.905 203 V CB 0.994 32.849 31.823 0.053 0.000 0.997 203 V HN 0.717 nan 8.190 nan 0.000 0.436 204 F N 2.224 122.282 119.950 0.180 0.000 2.713 204 F HA 0.804 5.324 4.527 -0.011 0.000 0.311 204 F C -0.567 175.267 175.800 0.057 0.000 1.141 204 F CA -0.855 57.190 58.000 0.074 0.000 0.939 204 F CB 1.312 40.283 39.000 -0.049 0.000 1.325 204 F HN 0.297 nan 8.300 nan 0.000 0.453 205 S N 1.360 117.107 115.700 0.078 0.000 2.549 205 S HA 0.723 5.188 4.470 -0.010 0.000 0.297 205 S C -0.823 173.806 174.600 0.048 0.000 1.115 205 S CA -0.909 57.351 58.200 0.099 0.000 1.059 205 S CB 1.548 64.907 63.200 0.266 0.000 1.046 205 S HN 0.457 nan 8.310 nan 0.000 0.506 206 K N 1.046 121.642 120.400 0.327 0.000 2.466 206 K HA 0.520 4.834 4.320 -0.010 0.000 0.260 206 K C -1.257 175.763 176.600 0.700 0.000 1.011 206 K CA -0.775 55.825 56.287 0.523 0.000 0.871 206 K CB 1.328 34.145 32.500 0.529 0.000 1.404 206 K HN 0.370 nan 8.250 nan 0.000 0.450 207 I N 1.706 122.714 120.570 0.730 0.000 2.336 207 I HA 0.351 4.515 4.170 -0.010 0.000 0.292 207 I C -0.435 176.003 176.117 0.536 0.000 0.991 207 I CA -0.573 61.048 61.300 0.536 0.000 1.227 207 I CB 0.387 38.614 38.000 0.380 0.000 1.366 207 I HN 0.472 nan 8.210 nan 0.000 0.466 208 F N 9.304 129.399 119.950 0.241 0.000 2.445 208 F HA 0.525 5.047 4.527 -0.009 0.000 0.348 208 F C -0.981 175.052 175.800 0.388 0.000 1.125 208 F CA -0.652 57.341 58.000 -0.012 0.000 0.983 208 F CB 0.870 39.720 39.000 -0.250 0.000 1.198 208 F HN 0.441 nan 8.300 nan 0.000 0.436 209 Y N 2.372 122.607 120.300 -0.108 0.000 2.609 209 Y HA 0.766 5.314 4.550 -0.003 0.000 0.342 209 Y C -1.355 174.220 175.900 -0.542 0.000 1.058 209 Y CA -1.705 56.315 58.100 -0.134 0.000 1.055 209 Y CB 1.453 39.846 38.460 -0.112 0.000 1.292 209 Y HN 0.351 nan 8.280 nan 0.000 0.476 210 S N 0.234 115.465 115.700 -0.781 0.000 2.557 210 S HA 0.400 4.864 4.470 -0.010 0.000 0.291 210 S C -0.526 173.736 174.600 -0.563 0.000 1.116 210 S CA -0.626 56.892 58.200 -1.137 0.000 0.992 210 S CB 1.334 63.288 63.200 -2.077 0.000 1.028 210 S HN 0.850 nan 8.310 nan 0.000 0.484 211 E N 1.578 121.518 120.200 -0.434 0.000 2.481 211 E HA 0.088 4.432 4.350 -0.010 0.000 0.198 211 E C -0.569 175.881 176.600 -0.250 0.000 1.027 211 E CA 0.132 56.389 56.400 -0.239 0.000 0.900 211 E CB 0.319 29.940 29.700 -0.132 0.000 0.993 211 E HN 0.708 nan 8.360 nan 0.000 0.482 212 D N 0.030 120.225 120.400 -0.341 0.000 2.895 212 D HA 0.027 4.661 4.640 -0.010 0.000 0.350 212 D C -0.433 175.725 176.300 -0.236 0.000 1.389 212 D CA -0.374 53.480 54.000 -0.243 0.000 0.812 212 D CB 0.047 40.725 40.800 -0.204 0.000 1.164 212 D HN -0.182 nan 8.370 nan 0.000 0.455 213 E N -0.212 119.824 120.200 -0.274 0.000 2.791 213 E HA -0.192 4.152 4.350 -0.010 0.000 0.271 213 E C 1.149 177.646 176.600 -0.172 0.000 1.044 213 E CA 1.039 57.318 56.400 -0.202 0.000 0.814 213 E CB -2.172 27.510 29.700 -0.029 0.000 1.400 213 E HN 0.907 nan 8.360 nan 0.000 0.423 214 G N -0.560 107.991 108.800 -0.415 0.000 2.157 214 G HA2 -0.360 3.594 3.960 -0.010 0.000 0.239 214 G HA3 -0.360 3.594 3.960 -0.010 0.000 0.239 214 G C 0.958 175.861 174.900 0.006 0.000 0.982 214 G CA 0.548 45.522 45.100 -0.211 0.000 0.650 214 G HN 0.198 nan 8.290 nan 0.000 0.527 215 K N 0.460 120.778 120.400 -0.136 0.000 2.062 215 K HA 0.101 4.415 4.320 -0.010 0.000 0.205 215 K C 1.560 178.138 176.600 -0.037 0.000 1.051 215 K CA 1.815 58.108 56.287 0.010 0.000 0.941 215 K CB -0.473 32.027 32.500 -0.000 0.000 0.719 215 K HN 0.918 nan 8.250 nan 0.000 0.440 216 T N -2.581 111.708 114.554 -0.441 0.000 2.906 216 T HA 0.598 4.942 4.350 -0.010 0.000 0.295 216 T C -1.171 172.747 174.700 -1.304 0.000 1.061 216 T CA -0.947 60.652 62.100 -0.835 0.000 1.000 216 T CB 1.566 70.188 68.868 -0.409 0.000 1.103 216 T HN 0.096 nan 8.240 nan 0.000 0.486 217 W N 0.503 120.859 121.300 -1.572 0.000 2.950 217 W HA 0.714 5.369 4.660 -0.008 0.000 0.340 217 W C -0.267 175.792 176.519 -0.766 0.000 1.139 217 W CA -0.811 55.852 57.345 -1.136 0.000 1.188 217 W CB 2.166 30.889 29.460 -1.230 0.000 1.426 217 W HN 0.650 nan 8.180 nan 0.000 0.531 218 K N 1.404 121.415 120.400 -0.649 0.000 2.443 218 K HA 0.629 4.943 4.320 -0.010 0.000 0.251 218 K C -1.586 174.827 176.600 -0.311 0.000 0.972 218 K CA -1.111 54.928 56.287 -0.413 0.000 0.833 218 K CB 2.366 34.459 32.500 -0.679 0.000 1.317 218 K HN 0.202 nan 8.250 nan 0.000 0.441 219 F N 0.361 120.401 119.950 0.150 0.000 2.443 219 F HA 0.341 4.861 4.527 -0.011 0.000 0.335 219 F C 1.131 177.152 175.800 0.368 0.000 1.104 219 F CA -0.328 57.868 58.000 0.328 0.000 1.013 219 F CB 1.698 40.874 39.000 0.293 0.000 1.136 219 F HN 0.609 nan 8.300 nan 0.000 0.470 220 G N 2.431 111.620 108.800 0.649 0.000 2.491 220 G HA2 0.124 4.079 3.960 -0.010 0.000 0.242 220 G HA3 0.124 4.079 3.960 -0.010 0.000 0.242 220 G C 0.563 175.712 174.900 0.415 0.000 1.266 220 G CA -0.462 44.946 45.100 0.512 0.000 0.844 220 G HN 0.784 nan 8.290 nan 0.000 0.571 221 K N 1.226 121.804 120.400 0.297 0.000 2.097 221 K HA -0.018 4.296 4.320 -0.010 0.000 0.206 221 K C 1.884 178.558 176.600 0.124 0.000 1.049 221 K CA 1.041 57.441 56.287 0.188 0.000 0.933 221 K CB -0.095 32.489 32.500 0.140 0.000 0.717 221 K HN 0.533 nan 8.250 nan 0.000 0.442 222 G N 0.919 109.828 108.800 0.182 0.000 2.563 222 G HA2 0.372 4.326 3.960 -0.010 0.000 0.283 222 G HA3 0.372 4.326 3.960 -0.010 0.000 0.283 222 G C -0.536 174.090 174.900 -0.458 0.000 1.309 222 G CA -0.517 44.572 45.100 -0.019 0.000 1.022 222 G HN 0.331 nan 8.290 nan 0.000 0.501 223 R N -2.220 117.614 120.500 -1.110 0.000 2.733 223 R HA 0.579 4.913 4.340 -0.010 0.000 0.272 223 R C -0.141 175.123 176.300 -1.726 0.000 1.029 223 R CA -0.438 54.774 56.100 -1.481 0.000 0.888 223 R CB 0.631 30.535 30.300 -0.659 0.000 1.251 223 R HN 0.738 nan 8.270 nan 0.000 0.464 224 S N 0.762 115.503 115.700 -1.598 0.000 2.626 224 S HA 0.590 5.054 4.470 -0.010 0.000 0.257 224 S C 0.665 174.924 174.600 -0.568 0.000 1.288 224 S CA -0.349 57.210 58.200 -1.068 0.000 0.980 224 S CB 0.686 63.563 63.200 -0.538 0.000 0.975 224 S HN 0.860 nan 8.310 nan 0.000 0.577 225 A N 0.053 122.741 122.820 -0.219 0.000 2.386 225 A HA 0.512 4.826 4.320 -0.010 0.000 0.246 225 A C -0.026 177.479 177.584 -0.132 0.000 1.089 225 A CA -0.629 51.304 52.037 -0.173 0.000 0.790 225 A CB -0.583 18.461 19.000 0.073 0.000 1.042 225 A HN 0.675 nan 8.150 nan 0.000 0.497 226 F N 0.024 120.001 119.950 0.044 0.000 2.506 226 F HA 0.407 4.930 4.527 -0.007 0.000 0.351 226 F C 1.693 177.564 175.800 0.118 0.000 1.136 226 F CA 1.521 59.577 58.000 0.094 0.000 1.298 226 F CB 0.686 39.715 39.000 0.048 0.000 1.145 226 F HN 0.891 nan 8.300 nan 0.000 0.593 227 G N 0.458 109.467 108.800 0.347 0.000 2.213 227 G HA2 -0.257 3.697 3.960 -0.010 0.000 0.226 227 G HA3 -0.257 3.697 3.960 -0.010 0.000 0.226 227 G C -0.397 174.636 174.900 0.222 0.000 0.992 227 G CA -0.393 44.854 45.100 0.245 0.000 0.632 227 G HN 0.725 nan 8.290 nan 0.000 0.511 228 C N 3.115 122.554 119.300 0.233 0.000 2.281 228 C HA 0.754 5.208 4.460 -0.010 0.000 0.336 228 C C 1.117 176.237 174.990 0.218 0.000 1.217 228 C CA 0.088 59.242 59.018 0.227 0.000 1.730 228 C CB -0.359 27.531 27.740 0.251 0.000 2.338 228 C HN 0.859 nan 8.230 nan 0.000 0.521 229 S N 1.231 117.060 115.700 0.214 0.000 2.798 229 S HA 0.605 5.069 4.470 -0.010 0.000 0.312 229 S C -0.236 174.486 174.600 0.203 0.000 1.122 229 S CA -0.563 57.770 58.200 0.221 0.000 0.949 229 S CB 0.460 63.809 63.200 0.248 0.000 1.235 229 S HN 0.744 nan 8.310 nan 0.000 0.552 230 E N 1.536 121.851 120.200 0.190 0.000 2.103 230 E HA -0.133 4.212 4.350 -0.010 0.000 0.186 230 E C -2.200 174.487 176.600 0.144 0.000 1.392 230 E CA 0.167 56.645 56.400 0.129 0.000 0.691 230 E CB -0.848 28.897 29.700 0.076 0.000 1.068 230 E HN 0.491 nan 8.360 nan 0.000 0.328 231 P HA 0.120 nan 4.420 nan 0.000 0.275 231 P C -0.675 176.756 177.300 0.218 0.000 1.228 231 P CA -0.157 63.081 63.100 0.230 0.000 0.786 231 P CB 1.661 33.540 31.700 0.299 0.000 0.927 232 V N 1.527 121.584 119.914 0.238 0.000 2.709 232 V HA 0.773 4.888 4.120 -0.010 0.000 0.308 232 V C -0.987 175.328 176.094 0.368 0.000 1.062 232 V CA -0.708 61.758 62.300 0.276 0.000 0.901 232 V CB 1.617 33.601 31.823 0.268 0.000 1.003 232 V HN 0.871 nan 8.190 nan 0.000 0.425 233 A N 5.951 128.970 122.820 0.331 0.000 2.469 233 A HA 1.023 5.337 4.320 -0.010 0.000 0.299 233 A C -1.350 176.348 177.584 0.189 0.000 1.098 233 A CA -0.580 51.639 52.037 0.303 0.000 0.737 233 A CB 1.874 20.989 19.000 0.193 0.000 1.312 233 A HN 1.725 nan 8.150 nan 0.000 0.414 234 L N -1.978 119.307 121.223 0.104 0.000 2.397 234 L HA 0.840 5.174 4.340 -0.010 0.000 0.251 234 L C -0.519 176.377 176.870 0.044 0.000 1.064 234 L CA -0.619 54.219 54.840 -0.004 0.000 0.859 234 L CB 1.546 43.481 42.059 -0.207 0.000 1.468 234 L HN 0.739 nan 8.230 nan 0.000 0.411 235 E N 0.653 120.887 120.200 0.056 0.000 2.166 235 E HA 0.349 4.693 4.350 -0.010 0.000 0.275 235 E C -2.081 174.625 176.600 0.177 0.000 0.941 235 E CA -0.719 55.729 56.400 0.080 0.000 0.784 235 E CB 1.602 31.315 29.700 0.021 0.000 1.115 235 E HN 0.692 nan 8.360 nan 0.000 0.399 236 W N 5.416 126.694 121.300 -0.037 0.000 2.968 236 W HA 0.183 4.837 4.660 -0.011 0.000 0.337 236 W C -0.966 175.542 176.519 -0.019 0.000 1.060 236 W CA -0.490 56.840 57.345 -0.024 0.000 1.240 236 W CB 0.981 30.433 29.460 -0.013 0.000 1.370 236 W HN 0.798 nan 8.180 nan 0.000 0.459 237 E N 3.409 123.380 120.200 -0.382 0.000 2.269 237 E HA -0.232 4.113 4.350 -0.010 0.000 0.223 237 E C 1.050 177.601 176.600 -0.082 0.000 1.244 237 E CA 1.206 57.444 56.400 -0.270 0.000 0.713 237 E CB -1.289 28.237 29.700 -0.290 0.000 1.178 237 E HN 0.995 nan 8.360 nan 0.000 0.370 238 G N -0.161 108.599 108.800 -0.067 0.000 2.179 238 G HA2 -0.362 3.592 3.960 -0.010 0.000 0.260 238 G HA3 -0.362 3.592 3.960 -0.010 0.000 0.260 238 G C 0.127 175.018 174.900 -0.016 0.000 0.977 238 G CA 0.939 46.014 45.100 -0.042 0.000 0.641 238 G HN 0.335 nan 8.290 nan 0.000 0.533 239 K N -0.441 119.974 120.400 0.025 0.000 2.328 239 K HA 0.750 5.064 4.320 -0.010 0.000 0.246 239 K C -0.008 176.613 176.600 0.034 0.000 0.955 239 K CA -1.049 55.251 56.287 0.022 0.000 0.817 239 K CB 2.009 34.537 32.500 0.047 0.000 1.208 239 K HN 0.088 nan 8.250 nan 0.000 0.432 240 L N 2.783 123.992 121.223 -0.023 0.000 2.331 240 L HA 0.378 4.712 4.340 -0.010 0.000 0.278 240 L C -0.254 176.621 176.870 0.008 0.000 1.106 240 L CA -0.436 54.392 54.840 -0.020 0.000 0.824 240 L CB 0.349 42.349 42.059 -0.099 0.000 1.142 240 L HN 0.402 nan 8.230 nan 0.000 0.443 241 I N 4.721 125.348 120.570 0.094 0.000 2.330 241 I HA 0.317 4.481 4.170 -0.010 0.000 0.289 241 I C -0.436 175.824 176.117 0.239 0.000 1.001 241 I CA -0.353 61.046 61.300 0.165 0.000 1.193 241 I CB 1.472 39.619 38.000 0.245 0.000 1.345 241 I HN 0.437 nan 8.210 nan 0.000 0.461 242 I N 6.566 127.228 120.570 0.153 0.000 2.330 242 I HA 0.267 4.432 4.170 -0.010 0.000 0.289 242 I C 0.044 176.307 176.117 0.242 0.000 1.001 242 I CA -0.248 61.166 61.300 0.191 0.000 1.193 242 I CB 0.934 38.953 38.000 0.031 0.000 1.345 242 I HN 0.473 nan 8.210 nan 0.000 0.461 243 N N 5.322 124.130 118.700 0.180 0.000 2.469 243 N HA 0.320 5.054 4.740 -0.010 0.000 0.253 243 N C -0.719 174.863 175.510 0.119 0.000 0.970 243 N CA -0.269 52.776 53.050 -0.009 0.000 0.940 243 N CB 1.349 39.535 38.487 -0.502 0.000 1.128 243 N HN 0.696 nan 8.380 nan 0.000 0.503 244 T N 0.334 114.990 114.554 0.171 0.000 2.925 244 T HA 0.447 4.791 4.350 -0.010 0.000 0.285 244 T C 0.243 175.048 174.700 0.175 0.000 1.021 244 T CA -0.957 61.273 62.100 0.217 0.000 1.042 244 T CB 1.716 70.771 68.868 0.310 0.000 1.037 244 T HN 0.486 nan 8.240 nan 0.000 0.481 245 R N 1.625 122.233 120.500 0.180 0.000 2.308 245 R HA 0.553 4.887 4.340 -0.010 0.000 0.305 245 R C -1.436 174.958 176.300 0.157 0.000 1.053 245 R CA -0.566 55.637 56.100 0.171 0.000 0.957 245 R CB 0.489 30.885 30.300 0.160 0.000 1.022 245 R HN 0.575 nan 8.270 nan 0.000 0.461 246 V N 4.800 124.789 119.914 0.124 0.000 2.409 246 V HA 0.143 4.258 4.120 -0.010 0.000 0.290 246 V C -0.688 175.442 176.094 0.059 0.000 1.017 246 V CA -1.028 61.340 62.300 0.114 0.000 0.841 246 V CB 1.432 33.322 31.823 0.111 0.000 1.003 246 V HN 0.822 nan 8.190 nan 0.000 0.426 247 D N 3.772 124.192 120.400 0.034 0.000 2.458 247 D HA 0.181 4.815 4.640 -0.010 0.000 0.243 247 D C 0.498 176.748 176.300 -0.083 0.000 1.146 247 D CA 0.710 54.596 54.000 -0.191 0.000 0.877 247 D CB 0.280 40.932 40.800 -0.248 0.000 1.176 247 D HN 0.681 nan 8.370 nan 0.000 0.461 248 Y N -0.502 119.797 120.300 -0.001 0.000 4.668 248 Y HA -0.326 4.218 4.550 -0.010 0.000 0.234 248 Y C 0.816 176.719 175.900 0.005 0.000 1.056 248 Y CA 0.647 58.740 58.100 -0.012 0.000 2.025 248 Y CB -1.081 37.370 38.460 -0.016 0.000 1.613 248 Y HN 0.321 nan 8.280 nan 0.000 0.653 249 R N -0.288 120.267 120.500 0.092 0.000 2.795 249 R HA 0.556 4.890 4.340 -0.010 0.000 0.268 249 R C -0.190 176.120 176.300 0.016 0.000 1.041 249 R CA -1.287 54.850 56.100 0.062 0.000 0.927 249 R CB 1.080 31.425 30.300 0.075 0.000 1.235 249 R HN 0.105 nan 8.270 nan 0.000 0.463 250 R N 1.267 121.758 120.500 -0.016 0.000 2.643 250 R HA 0.219 4.553 4.340 -0.010 0.000 0.270 250 R C 0.186 176.452 176.300 -0.055 0.000 1.061 250 R CA -0.258 55.803 56.100 -0.065 0.000 1.107 250 R CB 0.483 30.704 30.300 -0.131 0.000 0.999 250 R HN 0.210 nan 8.270 nan 0.000 0.460 251 R N 2.052 122.514 120.500 -0.062 0.000 2.489 251 R HA 0.096 4.430 4.340 -0.010 0.000 0.287 251 R C -0.145 176.110 176.300 -0.076 0.000 1.053 251 R CA -0.000 56.085 56.100 -0.025 0.000 1.036 251 R CB 0.328 30.629 30.300 0.002 0.000 0.966 251 R HN 0.333 nan 8.270 nan 0.000 0.432 252 L N 3.545 124.751 121.223 -0.029 0.000 2.312 252 L HA 0.397 4.731 4.340 -0.010 0.000 0.281 252 L C -0.333 176.460 176.870 -0.128 0.000 1.070 252 L CA -0.761 54.007 54.840 -0.120 0.000 0.805 252 L CB 1.563 43.603 42.059 -0.032 0.000 1.174 252 L HN 0.295 nan 8.230 nan 0.000 0.434 253 V N 3.050 122.786 119.914 -0.298 0.000 2.604 253 V HA 0.462 4.576 4.120 -0.010 0.000 0.305 253 V C -0.938 174.956 176.094 -0.332 0.000 1.043 253 V CA -0.682 61.506 62.300 -0.185 0.000 0.888 253 V CB 1.756 33.485 31.823 -0.156 0.000 0.995 253 V HN 0.429 nan 8.190 nan 0.000 0.429 254 Y N 1.432 121.776 120.300 0.074 0.000 2.562 254 Y HA 0.644 5.187 4.550 -0.012 0.000 0.343 254 Y C 0.262 176.143 175.900 -0.032 0.000 1.025 254 Y CA -0.896 57.247 58.100 0.071 0.000 1.082 254 Y CB 1.921 40.517 38.460 0.227 0.000 1.264 254 Y HN 0.554 nan 8.280 nan 0.000 0.478 255 E N 0.457 120.730 120.200 0.121 0.000 2.256 255 E HA 0.599 4.943 4.350 -0.010 0.000 0.267 255 E C -1.335 175.223 176.600 -0.070 0.000 0.892 255 E CA -0.909 55.499 56.400 0.013 0.000 0.775 255 E CB 2.286 32.007 29.700 0.036 0.000 1.207 255 E HN 0.385 nan 8.360 nan 0.000 0.420 256 S N 0.772 116.384 115.700 -0.146 0.000 2.720 256 S HA 0.214 4.679 4.470 -0.010 0.000 0.278 256 S C -0.227 174.308 174.600 -0.108 0.000 1.172 256 S CA -0.566 57.523 58.200 -0.185 0.000 1.019 256 S CB 1.206 64.143 63.200 -0.438 0.000 1.049 256 S HN 0.378 nan 8.310 nan 0.000 0.483 257 S N 2.623 118.289 115.700 -0.057 0.000 2.593 257 S HA 0.080 4.544 4.470 -0.010 0.000 0.217 257 S C 0.066 174.632 174.600 -0.057 0.000 0.966 257 S CA 0.162 58.336 58.200 -0.043 0.000 0.914 257 S CB -0.159 63.031 63.200 -0.017 0.000 0.776 257 S HN 0.872 nan 8.310 nan 0.000 0.523 258 D N 0.013 120.375 120.400 -0.064 0.000 2.957 258 D HA 0.256 4.890 4.640 -0.010 0.000 0.352 258 D C 0.264 176.500 176.300 -0.107 0.000 1.352 258 D CA -0.477 53.485 54.000 -0.063 0.000 0.831 258 D CB -0.266 40.526 40.800 -0.012 0.000 1.147 258 D HN -0.160 nan 8.370 nan 0.000 0.467 259 M N 0.856 120.343 119.600 -0.188 0.000 2.393 259 M HA -0.167 4.307 4.480 -0.010 0.000 0.201 259 M C 1.182 177.400 176.300 -0.136 0.000 0.403 259 M CA 1.157 56.267 55.300 -0.318 0.000 0.471 259 M CB -1.948 30.235 32.600 -0.695 0.000 1.669 259 M HN 0.869 nan 8.290 nan 0.000 0.864 260 G N -1.043 107.725 108.800 -0.054 0.000 2.176 260 G HA2 -0.332 3.622 3.960 -0.010 0.000 0.253 260 G HA3 -0.332 3.622 3.960 -0.010 0.000 0.253 260 G C 0.697 175.830 174.900 0.388 0.000 0.979 260 G CA 0.576 45.782 45.100 0.176 0.000 0.641 260 G HN 0.497 nan 8.290 nan 0.000 0.530 261 N N 0.502 119.329 118.700 0.211 0.000 2.188 261 N HA 0.056 4.790 4.740 -0.010 0.000 0.184 261 N C 1.321 176.978 175.510 0.245 0.000 1.018 261 N CA 1.861 55.039 53.050 0.215 0.000 0.858 261 N CB -0.045 38.520 38.487 0.131 0.000 0.989 261 N HN 0.912 nan 8.380 nan 0.000 0.426 262 T N -2.762 111.932 114.554 0.234 0.000 2.886 262 T HA 0.530 4.875 4.350 -0.010 0.000 0.292 262 T C -1.257 173.637 174.700 0.322 0.000 1.012 262 T CA -0.811 61.446 62.100 0.262 0.000 0.982 262 T CB 1.293 70.246 68.868 0.142 0.000 1.018 262 T HN -0.017 nan 8.240 nan 0.000 0.451 263 W N 2.367 123.687 121.300 0.033 0.000 2.587 263 W HA 0.737 5.392 4.660 -0.008 0.000 0.324 263 W C -0.965 175.635 176.519 0.136 0.000 1.040 263 W CA -1.262 56.121 57.345 0.064 0.000 1.222 263 W CB 1.781 31.199 29.460 -0.070 0.000 1.381 263 W HN 0.718 nan 8.180 nan 0.000 0.483 264 L N 2.734 124.177 121.223 0.367 0.000 2.381 264 L HA 0.447 4.782 4.340 -0.010 0.000 0.274 264 L C 0.106 177.142 176.870 0.276 0.000 0.988 264 L CA -0.776 54.230 54.840 0.276 0.000 0.824 264 L CB 1.538 43.681 42.059 0.140 0.000 1.263 264 L HN 0.459 nan 8.230 nan 0.000 0.410 265 E N 3.443 123.751 120.200 0.179 0.000 2.415 265 E HA 0.220 4.565 4.350 -0.010 0.000 0.263 265 E C -0.212 176.303 176.600 -0.141 0.000 0.995 265 E CA 0.121 56.426 56.400 -0.159 0.000 0.915 265 E CB 1.065 30.628 29.700 -0.229 0.000 0.951 265 E HN 0.802 nan 8.360 nan 0.000 0.449 266 A N 5.128 127.834 122.820 -0.190 0.000 3.077 266 A HA 0.087 4.401 4.320 -0.010 0.000 0.255 266 A C 1.243 178.719 177.584 -0.180 0.000 1.728 266 A CA -0.023 51.931 52.037 -0.137 0.000 1.383 266 A CB -0.881 18.055 19.000 -0.107 0.000 1.097 266 A HN 0.587 nan 8.150 nan 0.000 0.634 267 V N -1.443 118.329 119.914 -0.237 0.000 2.759 267 V HA -0.059 4.056 4.120 -0.010 0.000 0.256 267 V C 1.727 177.709 176.094 -0.186 0.000 1.080 267 V CA 2.134 64.209 62.300 -0.375 0.000 1.101 267 V CB -0.903 30.360 31.823 -0.933 0.000 0.698 267 V HN 0.522 nan 8.190 nan 0.000 0.477 268 G N -0.095 108.647 108.800 -0.096 0.000 2.985 268 G HA2 0.220 4.174 3.960 -0.010 0.000 0.209 268 G HA3 0.220 4.174 3.960 -0.010 0.000 0.209 268 G C 1.098 175.989 174.900 -0.015 0.000 1.165 268 G CA 1.072 46.176 45.100 0.007 0.000 0.776 268 G HN 0.706 nan 8.290 nan 0.000 0.541 269 T N -2.480 112.049 114.554 -0.042 0.000 3.451 269 T HA 0.214 4.558 4.350 -0.010 0.000 0.201 269 T C 1.767 176.394 174.700 -0.122 0.000 0.965 269 T CA -0.107 61.943 62.100 -0.083 0.000 1.088 269 T CB 0.040 68.836 68.868 -0.119 0.000 1.251 269 T HN -0.020 nan 8.240 nan 0.000 0.325 270 L N 1.097 122.208 121.223 -0.187 0.000 2.701 270 L HA 0.441 4.775 4.340 -0.010 0.000 0.238 270 L C 1.150 177.794 176.870 -0.377 0.000 1.106 270 L CA -0.215 54.425 54.840 -0.333 0.000 0.898 270 L CB 0.519 42.448 42.059 -0.217 0.000 1.188 270 L HN 0.283 nan 8.230 nan 0.000 0.508 271 S N 0.731 116.264 115.700 -0.279 0.000 2.549 271 S HA 0.188 4.652 4.470 -0.010 0.000 0.283 271 S C 0.963 175.320 174.600 -0.405 0.000 1.320 271 S CA -0.024 57.988 58.200 -0.313 0.000 1.058 271 S CB 0.136 63.153 63.200 -0.307 0.000 0.882 271 S HN 0.428 nan 8.310 nan 0.000 0.498 272 R N 1.441 121.685 120.500 -0.427 0.000 3.994 272 R HA -0.162 4.172 4.340 -0.010 0.000 0.403 272 R C 0.959 176.908 176.300 -0.584 0.000 1.126 272 R CA 0.883 56.656 56.100 -0.545 0.000 1.143 272 R CB -2.674 27.119 30.300 -0.845 0.000 1.695 272 R HN 0.486 nan 8.270 nan 0.000 0.555 273 V N -0.241 119.302 119.914 -0.618 0.000 2.307 273 V HA -0.142 3.972 4.120 -0.010 0.000 0.245 273 V C 1.235 176.874 176.094 -0.758 0.000 1.045 273 V CA 1.664 63.488 62.300 -0.793 0.000 1.024 273 V CB -0.155 30.884 31.823 -1.307 0.000 0.651 273 V HN 0.256 nan 8.190 nan 0.000 0.449 274 W N 0.583 121.613 121.300 -0.449 0.000 2.335 274 W HA 0.620 5.273 4.660 -0.012 0.000 0.307 274 W C 0.398 176.723 176.519 -0.324 0.000 1.117 274 W CA -0.636 56.447 57.345 -0.436 0.000 1.228 274 W CB 0.689 29.837 29.460 -0.520 0.000 1.240 274 W HN 0.140 nan 8.180 nan 0.000 0.468 275 G N 3.955 112.729 108.800 -0.043 0.000 2.389 275 G HA2 0.402 4.356 3.960 -0.010 0.000 0.317 275 G HA3 0.402 4.356 3.960 -0.010 0.000 0.317 275 G C -1.689 173.173 174.900 -0.063 0.000 1.137 275 G CA -1.184 43.886 45.100 -0.050 0.000 0.870 275 G HN 0.152 nan 8.290 nan 0.000 0.496 276 P HA 0.050 nan 4.420 nan 0.000 0.241 276 P C 0.299 177.675 177.300 0.128 0.000 1.191 276 P CA 0.475 63.606 63.100 0.051 0.000 0.771 276 P CB 0.403 32.138 31.700 0.057 0.000 0.929 277 S N -3.449 112.313 115.700 0.103 0.000 2.615 277 S HA 0.407 4.871 4.470 -0.010 0.000 0.268 277 S C -2.737 171.935 174.600 0.120 0.000 1.146 277 S CA -1.221 57.063 58.200 0.139 0.000 0.818 277 S CB 1.298 64.552 63.200 0.090 0.000 1.111 277 S HN -0.351 nan 8.310 nan 0.000 0.465 278 P HA -0.075 nan 4.420 nan 0.000 0.217 278 P C 0.596 177.907 177.300 0.020 0.000 1.151 278 P CA 1.437 64.565 63.100 0.047 0.000 0.849 278 P CB 0.071 31.732 31.700 -0.066 0.000 0.787 279 K N -1.536 118.876 120.400 0.020 0.000 2.397 279 K HA 0.244 4.559 4.320 -0.010 0.000 0.202 279 K C 0.325 176.939 176.600 0.023 0.000 1.022 279 K CA -0.152 56.142 56.287 0.012 0.000 1.141 279 K CB -0.630 31.875 32.500 0.008 0.000 0.857 279 K HN -0.082 nan 8.250 nan 0.000 0.514 280 S N 2.632 118.350 115.700 0.031 0.000 3.559 280 S HA -0.162 4.302 4.470 -0.010 0.000 0.369 280 S C 0.256 174.887 174.600 0.051 0.000 0.987 280 S CA 1.093 59.310 58.200 0.029 0.000 1.187 280 S CB -1.474 61.730 63.200 0.008 0.000 0.914 280 S HN 0.632 nan 8.310 nan 0.000 0.480 281 N N -0.866 117.875 118.700 0.068 0.000 2.387 281 N HA 0.133 4.867 4.740 -0.010 0.000 0.259 281 N C -0.450 175.186 175.510 0.209 0.000 1.369 281 N CA -0.494 52.636 53.050 0.133 0.000 0.867 281 N CB 0.447 38.984 38.487 0.084 0.000 1.341 281 N HN 0.310 nan 8.380 nan 0.000 0.495 282 Q N 0.046 119.881 119.800 0.058 0.000 2.496 282 Q HA 0.583 4.917 4.340 -0.010 0.000 0.286 282 Q C -2.845 172.837 176.000 -0.530 0.000 1.103 282 Q CA -1.750 53.980 55.803 -0.121 0.000 0.813 282 Q CB 1.490 30.170 28.738 -0.097 0.000 1.444 282 Q HN 0.027 nan 8.270 nan 0.000 0.443 283 P HA -0.003 nan 4.420 nan 0.000 0.266 283 P C -0.045 177.044 177.300 -0.352 0.000 1.193 283 P CA 0.481 63.058 63.100 -0.872 0.000 0.770 283 P CB 0.401 31.334 31.700 -1.278 0.000 0.836 284 G N 0.734 109.437 108.800 -0.162 0.000 2.531 284 G HA2 0.506 4.460 3.960 -0.010 0.000 0.253 284 G HA3 0.506 4.460 3.960 -0.010 0.000 0.253 284 G C -0.567 174.414 174.900 0.136 0.000 1.439 284 G CA -0.208 44.943 45.100 0.085 0.000 1.056 284 G HN 0.577 nan 8.290 nan 0.000 0.555 285 S N -2.277 113.515 115.700 0.154 0.000 2.588 285 S HA 0.372 4.836 4.470 -0.010 0.000 0.269 285 S C -1.014 173.516 174.600 -0.117 0.000 1.157 285 S CA -0.542 57.672 58.200 0.024 0.000 0.824 285 S CB 1.709 64.725 63.200 -0.307 0.000 1.126 285 S HN 0.728 nan 8.310 nan 0.000 0.464 286 Q N 1.532 121.078 119.800 -0.423 0.000 2.373 286 Q HA 0.470 4.804 4.340 -0.010 0.000 0.255 286 Q C -1.125 174.700 176.000 -0.291 0.000 0.980 286 Q CA 0.410 55.929 55.803 -0.475 0.000 0.882 286 Q CB 1.011 29.151 28.738 -0.998 0.000 1.249 286 Q HN 0.626 nan 8.270 nan 0.000 0.438 287 S N 1.639 117.238 115.700 -0.168 0.000 2.547 287 S HA 0.265 4.729 4.470 -0.010 0.000 0.281 287 S C -1.078 173.470 174.600 -0.087 0.000 1.118 287 S CA -0.561 57.511 58.200 -0.212 0.000 0.947 287 S CB 1.805 64.890 63.200 -0.192 0.000 1.053 287 S HN 0.628 nan 8.310 nan 0.000 0.482 288 S N 2.077 117.712 115.700 -0.109 0.000 2.523 288 S HA 0.669 5.133 4.470 -0.010 0.000 0.275 288 S C -1.238 173.477 174.600 0.192 0.000 1.281 288 S CA -0.184 58.046 58.200 0.049 0.000 1.050 288 S CB -0.031 63.196 63.200 0.045 0.000 0.937 288 S HN 0.507 nan 8.310 nan 0.000 0.492 289 F N 4.605 124.610 119.950 0.093 0.000 2.941 289 F HA 0.442 4.962 4.527 -0.011 0.000 0.359 289 F C -0.379 175.515 175.800 0.156 0.000 1.231 289 F CA -0.397 57.709 58.000 0.177 0.000 1.089 289 F CB 1.261 40.406 39.000 0.241 0.000 1.407 289 F HN 0.652 nan 8.300 nan 0.000 0.538 290 T N 1.933 116.458 114.554 -0.048 0.000 2.906 290 T HA 0.914 5.258 4.350 -0.010 0.000 0.295 290 T C -0.862 173.784 174.700 -0.089 0.000 1.075 290 T CA -0.885 61.178 62.100 -0.062 0.000 1.005 290 T CB 1.854 70.767 68.868 0.075 0.000 1.136 290 T HN 0.836 nan 8.240 nan 0.000 0.498 291 A N 1.585 124.397 122.820 -0.013 0.000 2.288 291 A HA 0.840 5.154 4.320 -0.010 0.000 0.320 291 A C 0.134 177.795 177.584 0.129 0.000 1.217 291 A CA -0.664 51.435 52.037 0.104 0.000 0.840 291 A CB 0.434 19.547 19.000 0.187 0.000 1.179 291 A HN 1.741 nan 8.150 nan 0.000 0.504 292 V N -0.513 119.490 119.914 0.148 0.000 3.160 292 V HA 0.871 4.985 4.120 -0.010 0.000 0.310 292 V C -0.326 175.848 176.094 0.134 0.000 1.181 292 V CA -0.676 61.715 62.300 0.151 0.000 1.047 292 V CB 1.609 33.511 31.823 0.131 0.000 1.068 292 V HN 0.663 nan 8.190 nan 0.000 0.441 293 T N 2.711 117.362 114.554 0.162 0.000 2.791 293 T HA 0.704 5.048 4.350 -0.010 0.000 0.288 293 T C -0.491 174.299 174.700 0.150 0.000 0.999 293 T CA 0.058 62.237 62.100 0.131 0.000 0.952 293 T CB 0.537 69.473 68.868 0.114 0.000 0.938 293 T HN 0.610 nan 8.240 nan 0.000 0.444 294 I N 3.010 123.609 120.570 0.048 0.000 2.382 294 I HA 0.282 4.446 4.170 -0.010 0.000 0.286 294 I C 0.207 176.349 176.117 0.042 0.000 1.002 294 I CA -0.677 60.626 61.300 0.005 0.000 1.135 294 I CB 1.281 39.169 38.000 -0.186 0.000 1.288 294 I HN 0.609 nan 8.210 nan 0.000 0.448 295 E N 4.910 125.157 120.200 0.078 0.000 2.269 295 E HA -0.270 4.074 4.350 -0.010 0.000 0.223 295 E C 1.057 177.686 176.600 0.048 0.000 1.244 295 E CA 0.952 57.383 56.400 0.053 0.000 0.713 295 E CB -1.288 28.425 29.700 0.023 0.000 1.178 295 E HN 1.227 nan 8.360 nan 0.000 0.370 296 G N -0.222 108.614 108.800 0.060 0.000 2.179 296 G HA2 -0.373 3.581 3.960 -0.010 0.000 0.260 296 G HA3 -0.373 3.581 3.960 -0.010 0.000 0.260 296 G C 0.223 175.157 174.900 0.056 0.000 0.977 296 G CA 0.601 45.732 45.100 0.050 0.000 0.641 296 G HN 0.390 nan 8.290 nan 0.000 0.533 297 M N 0.513 120.156 119.600 0.072 0.000 2.205 297 M HA 0.706 5.180 4.480 -0.010 0.000 0.344 297 M C 0.195 176.565 176.300 0.118 0.000 1.085 297 M CA -1.132 54.228 55.300 0.101 0.000 1.001 297 M CB 1.059 33.742 32.600 0.139 0.000 1.626 297 M HN 0.104 nan 8.290 nan 0.000 0.442 298 R N 3.741 124.308 120.500 0.111 0.000 2.347 298 R HA 0.562 4.896 4.340 -0.010 0.000 0.304 298 R C -1.234 175.296 176.300 0.383 0.000 1.072 298 R CA -0.129 56.052 56.100 0.134 0.000 0.980 298 R CB 0.407 30.648 30.300 -0.097 0.000 0.986 298 R HN 0.560 nan 8.270 nan 0.000 0.448 299 V N 0.798 120.966 119.914 0.422 0.000 3.202 299 V HA 0.642 4.756 4.120 -0.010 0.000 0.306 299 V C -0.652 175.635 176.094 0.322 0.000 1.283 299 V CA -1.232 61.332 62.300 0.440 0.000 1.065 299 V CB 2.352 34.345 31.823 0.284 0.000 1.079 299 V HN 0.663 nan 8.190 nan 0.000 0.448 300 M N 1.810 121.514 119.600 0.173 0.000 2.465 300 M HA 0.670 5.144 4.480 -0.010 0.000 0.316 300 M C -1.368 175.051 176.300 0.198 0.000 1.121 300 M CA -0.416 54.933 55.300 0.082 0.000 0.934 300 M CB 2.191 34.738 32.600 -0.087 0.000 1.692 300 M HN 0.547 nan 8.290 nan 0.000 0.444 301 L N 2.760 124.095 121.223 0.187 0.000 2.322 301 L HA 0.673 5.007 4.340 -0.010 0.000 0.281 301 L C -1.309 175.794 176.870 0.389 0.000 1.014 301 L CA -0.566 54.430 54.840 0.261 0.000 0.815 301 L CB 1.586 43.739 42.059 0.158 0.000 1.247 301 L HN 0.583 nan 8.230 nan 0.000 0.421 302 F N 2.212 122.306 119.950 0.240 0.000 2.561 302 F HA 0.644 5.165 4.527 -0.009 0.000 0.313 302 F C -0.281 175.576 175.800 0.094 0.000 1.126 302 F CA -0.310 57.771 58.000 0.136 0.000 0.918 302 F CB 2.038 40.921 39.000 -0.195 0.000 1.199 302 F HN 0.480 nan 8.300 nan 0.000 0.444 303 T N 1.865 115.966 114.554 -0.755 0.000 2.887 303 T HA 0.643 4.987 4.350 -0.010 0.000 0.288 303 T C -1.470 172.721 174.700 -0.849 0.000 1.021 303 T CA -0.651 61.115 62.100 -0.555 0.000 1.000 303 T CB 1.754 70.470 68.868 -0.254 0.000 1.034 303 T HN 0.908 nan 8.240 nan 0.000 0.467 304 H N 1.044 119.843 119.070 -0.453 0.000 3.121 304 H HA 0.432 4.982 4.556 -0.010 0.000 0.337 304 H C -3.053 172.245 175.328 -0.050 0.000 1.198 304 H CA -1.246 54.642 56.048 -0.267 0.000 1.274 304 H CB 2.233 31.866 29.762 -0.215 0.000 1.954 304 H HN 0.530 nan 8.280 nan 0.000 0.531 305 P HA 0.036 nan 4.420 nan 0.000 0.271 305 P C 0.434 177.870 177.300 0.226 0.000 1.218 305 P CA -0.117 63.001 63.100 0.030 0.000 0.780 305 P CB 1.569 33.237 31.700 -0.053 0.000 0.901 306 L N 1.166 122.440 121.223 0.085 0.000 2.240 306 L HA -0.035 4.299 4.340 -0.010 0.000 0.211 306 L C 0.905 177.885 176.870 0.183 0.000 1.106 306 L CA 0.650 55.573 54.840 0.138 0.000 0.793 306 L CB -0.809 41.212 42.059 -0.064 0.000 0.927 306 L HN 0.484 nan 8.230 nan 0.000 0.446 307 N N -0.332 118.409 118.700 0.069 0.000 2.727 307 N HA -0.258 4.476 4.740 -0.010 0.000 0.251 307 N C 0.551 176.219 175.510 0.264 0.000 1.040 307 N CA 0.360 53.483 53.050 0.121 0.000 0.712 307 N CB -1.462 37.097 38.487 0.121 0.000 0.912 307 N HN 0.331 nan 8.380 nan 0.000 0.545 308 F N -0.115 119.862 119.950 0.046 0.000 2.216 308 F HA -0.196 4.325 4.527 -0.010 0.000 0.300 308 F C 2.031 177.848 175.800 0.028 0.000 1.085 308 F CA 0.830 58.852 58.000 0.036 0.000 1.326 308 F CB 0.019 39.039 39.000 0.033 0.000 1.027 308 F HN 0.244 nan 8.300 nan 0.000 0.497 309 K N 0.390 120.919 120.400 0.215 0.000 2.155 309 K HA 0.132 4.446 4.320 -0.010 0.000 0.203 309 K C 1.062 177.718 176.600 0.094 0.000 1.052 309 K CA 0.589 56.953 56.287 0.128 0.000 0.948 309 K CB -0.317 32.237 32.500 0.091 0.000 0.728 309 K HN 0.357 nan 8.250 nan 0.000 0.448 310 G N 0.867 109.717 108.800 0.084 0.000 2.655 310 G HA2 -0.232 3.723 3.960 -0.010 0.000 0.680 310 G HA3 -0.232 3.723 3.960 -0.010 0.000 0.680 310 G C -0.588 174.315 174.900 0.005 0.000 1.302 310 G CA -0.393 44.729 45.100 0.038 0.000 0.872 310 G HN 0.276 nan 8.290 nan 0.000 0.540 311 R N -2.087 118.366 120.500 -0.079 0.000 3.794 311 R HA -0.231 4.103 4.340 -0.010 0.000 0.485 311 R C 1.013 177.166 176.300 -0.245 0.000 0.241 311 R CA 2.038 58.026 56.100 -0.186 0.000 1.522 311 R CB -1.294 29.082 30.300 0.127 0.000 0.988 311 R HN 0.813 nan 8.270 nan 0.000 0.570 312 W N 1.308 122.635 121.300 0.045 0.000 3.316 312 W HA 0.187 4.841 4.660 -0.010 0.000 0.327 312 W C 1.761 178.296 176.519 0.026 0.000 1.232 312 W CA -0.086 57.280 57.345 0.034 0.000 1.805 312 W CB -0.219 29.262 29.460 0.036 0.000 1.090 312 W HN 0.347 nan 8.180 nan 0.000 0.654 313 L N 0.799 122.139 121.223 0.195 0.000 1.989 313 L HA -0.161 4.174 4.340 -0.010 0.000 0.211 313 L C 1.159 178.067 176.870 0.064 0.000 1.071 313 L CA 1.490 56.396 54.840 0.109 0.000 0.749 313 L CB -0.710 41.396 42.059 0.079 0.000 0.890 313 L HN -0.051 nan 8.230 nan 0.000 0.431 314 R N 1.105 121.638 120.500 0.055 0.000 3.209 314 R HA -0.134 4.200 4.340 -0.010 0.000 0.252 314 R C -0.420 175.871 176.300 -0.014 0.000 0.958 314 R CA 0.561 56.678 56.100 0.030 0.000 0.651 314 R CB -1.859 28.466 30.300 0.041 0.000 1.142 314 R HN 0.620 nan 8.270 nan 0.000 0.441 315 D N 0.769 121.150 120.400 -0.032 0.000 2.371 315 D HA 0.156 4.791 4.640 -0.010 0.000 0.242 315 D C 0.015 176.221 176.300 -0.156 0.000 1.218 315 D CA -0.492 53.457 54.000 -0.085 0.000 0.945 315 D CB 0.486 41.234 40.800 -0.086 0.000 1.137 315 D HN 0.260 nan 8.370 nan 0.000 0.464 316 R N -1.002 119.386 120.500 -0.188 0.000 3.055 316 R HA -0.195 4.140 4.340 -0.010 0.000 0.265 316 R C -0.599 175.592 176.300 -0.181 0.000 0.947 316 R CA -0.230 55.726 56.100 -0.240 0.000 0.652 316 R CB -1.867 28.166 30.300 -0.446 0.000 1.367 316 R HN 0.426 nan 8.270 nan 0.000 0.441 317 L N 1.796 122.906 121.223 -0.188 0.000 2.534 317 L HA 0.107 4.441 4.340 -0.010 0.000 0.271 317 L C 0.042 176.813 176.870 -0.166 0.000 1.178 317 L CA 0.702 55.425 54.840 -0.194 0.000 0.907 317 L CB 0.412 42.264 42.059 -0.346 0.000 1.164 317 L HN 0.213 nan 8.230 nan 0.000 0.482 318 N N 3.609 122.256 118.700 -0.089 0.000 2.319 318 N HA 0.633 5.367 4.740 -0.010 0.000 0.305 318 N C -1.501 173.937 175.510 -0.120 0.000 1.103 318 N CA -0.568 52.411 53.050 -0.119 0.000 0.815 318 N CB 1.721 40.169 38.487 -0.064 0.000 1.288 318 N HN 0.536 nan 8.380 nan 0.000 0.493 319 L N 1.753 122.839 121.223 -0.228 0.000 2.317 319 L HA 0.691 5.025 4.340 -0.010 0.000 0.281 319 L C -1.746 174.989 176.870 -0.225 0.000 1.024 319 L CA -0.482 54.287 54.840 -0.119 0.000 0.810 319 L CB 0.566 42.585 42.059 -0.067 0.000 1.240 319 L HN 0.544 nan 8.230 nan 0.000 0.427 320 W N 5.301 126.702 121.300 0.169 0.000 2.761 320 W HA 0.660 5.315 4.660 -0.009 0.000 0.340 320 W C -1.184 175.536 176.519 0.335 0.000 1.072 320 W CA -0.601 56.930 57.345 0.311 0.000 1.215 320 W CB 1.785 31.542 29.460 0.495 0.000 1.420 320 W HN 0.420 nan 8.180 nan 0.000 0.519 321 L N 2.624 124.221 121.223 0.625 0.000 2.362 321 L HA 0.858 5.193 4.340 -0.010 0.000 0.275 321 L C -0.526 176.728 176.870 0.640 0.000 0.998 321 L CA -0.054 55.091 54.840 0.508 0.000 0.820 321 L CB 1.966 44.243 42.059 0.362 0.000 1.270 321 L HN 0.367 nan 8.230 nan 0.000 0.415 322 T N 1.603 116.474 114.554 0.528 0.000 2.956 322 T HA 0.403 4.747 4.350 -0.010 0.000 0.312 322 T C -0.708 174.187 174.700 0.324 0.000 1.151 322 T CA -0.271 62.114 62.100 0.475 0.000 1.024 322 T CB 1.097 70.172 68.868 0.346 0.000 1.140 322 T HN 0.761 nan 8.240 nan 0.000 0.473 323 D N 3.114 123.689 120.400 0.291 0.000 2.427 323 D HA 0.159 4.793 4.640 -0.010 0.000 0.224 323 D C 0.781 177.100 176.300 0.031 0.000 1.157 323 D CA -0.262 53.891 54.000 0.256 0.000 0.828 323 D CB -0.625 40.390 40.800 0.358 0.000 0.974 323 D HN 0.805 nan 8.370 nan 0.000 0.498 324 N N -0.261 118.325 118.700 -0.190 0.000 2.878 324 N HA -0.248 4.487 4.740 -0.010 0.000 0.247 324 N C 0.298 175.717 175.510 -0.152 0.000 1.021 324 N CA 1.121 54.017 53.050 -0.258 0.000 0.873 324 N CB -0.367 37.889 38.487 -0.383 0.000 1.128 324 N HN 0.440 nan 8.380 nan 0.000 0.571 325 Q N -0.594 119.108 119.800 -0.164 0.000 2.361 325 Q HA 0.221 4.555 4.340 -0.010 0.000 0.182 325 Q C -0.091 175.760 176.000 -0.248 0.000 0.650 325 Q CA -0.204 55.449 55.803 -0.251 0.000 0.842 325 Q CB 0.377 28.936 28.738 -0.299 0.000 1.211 325 Q HN 0.117 nan 8.270 nan 0.000 0.502 326 R N 0.935 121.218 120.500 -0.362 0.000 2.500 326 R HA 0.530 4.864 4.340 -0.010 0.000 0.275 326 R C -0.565 175.766 176.300 0.051 0.000 1.051 326 R CA 0.131 56.068 56.100 -0.272 0.000 1.088 326 R CB 0.948 30.785 30.300 -0.772 0.000 1.063 326 R HN 0.148 nan 8.270 nan 0.000 0.511 327 I N 2.173 122.913 120.570 0.283 0.000 2.476 327 I HA 0.213 4.377 4.170 -0.010 0.000 0.281 327 I C -1.353 175.156 176.117 0.653 0.000 1.040 327 I CA -0.798 60.770 61.300 0.447 0.000 1.094 327 I CB 1.242 39.357 38.000 0.192 0.000 1.219 327 I HN 0.530 nan 8.210 nan 0.000 0.450 328 Y N 6.448 127.145 120.300 0.662 0.000 2.341 328 Y HA 0.417 4.961 4.550 -0.010 0.000 0.337 328 Y C 0.079 176.210 175.900 0.385 0.000 1.014 328 Y CA -0.623 57.791 58.100 0.523 0.000 1.111 328 Y CB 1.236 39.970 38.460 0.456 0.000 1.194 328 Y HN 0.508 nan 8.280 nan 0.000 0.462 329 N N 5.116 123.458 118.700 -0.596 0.000 2.482 329 N HA 0.096 4.830 4.740 -0.010 0.000 0.242 329 N C 0.372 175.325 175.510 -0.927 0.000 1.100 329 N CA 0.152 52.595 53.050 -1.011 0.000 0.946 329 N CB 0.836 38.753 38.487 -0.951 0.000 1.227 329 N HN 0.647 nan 8.380 nan 0.000 0.508 330 V N 2.408 122.054 119.914 -0.448 0.000 2.343 330 V HA 0.114 4.228 4.120 -0.010 0.000 0.247 330 V C 1.499 177.478 176.094 -0.191 0.000 1.051 330 V CA 1.762 64.008 62.300 -0.090 0.000 1.036 330 V CB -1.363 30.485 31.823 0.041 0.000 0.654 330 V HN 0.897 nan 8.190 nan 0.000 0.451 331 G N -1.160 107.448 108.800 -0.319 0.000 2.325 331 G HA2 0.008 3.962 3.960 -0.010 0.000 0.285 331 G HA3 0.008 3.962 3.960 -0.010 0.000 0.285 331 G C -0.941 173.829 174.900 -0.216 0.000 1.303 331 G CA -0.203 44.746 45.100 -0.253 0.000 0.970 331 G HN 0.242 nan 8.290 nan 0.000 0.490 332 Q N -0.129 119.579 119.800 -0.154 0.000 2.314 332 Q HA 0.514 4.848 4.340 -0.010 0.000 0.257 332 Q C 0.922 176.853 176.000 -0.116 0.000 0.975 332 Q CA -0.380 55.339 55.803 -0.141 0.000 0.933 332 Q CB 1.362 30.025 28.738 -0.125 0.000 1.195 332 Q HN 0.453 nan 8.270 nan 0.000 0.426 333 V N 2.778 122.610 119.914 -0.137 0.000 2.407 333 V HA -0.105 4.009 4.120 -0.010 0.000 0.245 333 V C 1.079 177.118 176.094 -0.092 0.000 1.041 333 V CA 1.404 63.638 62.300 -0.110 0.000 1.040 333 V CB -0.151 31.590 31.823 -0.137 0.000 0.671 333 V HN 0.878 nan 8.190 nan 0.000 0.455 334 S N 0.220 115.809 115.700 -0.185 0.000 2.617 334 S HA 0.427 4.891 4.470 -0.010 0.000 0.255 334 S C -0.341 174.244 174.600 -0.026 0.000 1.318 334 S CA -0.299 57.841 58.200 -0.100 0.000 0.978 334 S CB 0.683 63.779 63.200 -0.173 0.000 0.961 334 S HN 0.228 nan 8.310 nan 0.000 0.582 335 I N 1.291 121.870 120.570 0.014 0.000 2.433 335 I HA 0.563 4.727 4.170 -0.010 0.000 0.292 335 I C 1.181 177.292 176.117 -0.011 0.000 1.001 335 I CA -0.117 61.185 61.300 0.004 0.000 1.119 335 I CB 0.949 38.963 38.000 0.024 0.000 1.289 335 I HN 1.133 nan 8.210 nan 0.000 0.438 336 G N 5.494 114.283 108.800 -0.018 0.000 2.596 336 G HA2 -0.322 3.632 3.960 -0.010 0.000 0.295 336 G HA3 -0.322 3.632 3.960 -0.010 0.000 0.295 336 G C 0.295 175.174 174.900 -0.034 0.000 1.240 336 G CA 0.578 45.668 45.100 -0.017 0.000 0.985 336 G HN 0.885 nan 8.290 nan 0.000 0.555 337 D N 1.612 121.998 120.400 -0.022 0.000 2.427 337 D HA 0.151 4.785 4.640 -0.010 0.000 0.224 337 D C 0.914 177.195 176.300 -0.032 0.000 1.157 337 D CA 0.646 54.627 54.000 -0.031 0.000 0.828 337 D CB -0.570 40.230 40.800 0.001 0.000 0.974 337 D HN 0.963 nan 8.370 nan 0.000 0.498 338 E N 0.515 120.698 120.200 -0.029 0.000 2.415 338 E HA 0.003 4.347 4.350 -0.010 0.000 0.262 338 E C -0.326 176.253 176.600 -0.036 0.000 1.038 338 E CA -0.442 55.944 56.400 -0.024 0.000 0.921 338 E CB 0.397 30.094 29.700 -0.005 0.000 0.950 338 E HN -0.080 nan 8.360 nan 0.000 0.438 339 N N 1.742 120.417 118.700 -0.042 0.000 2.475 339 N HA 0.048 4.782 4.740 -0.010 0.000 0.267 339 N C -0.909 174.580 175.510 -0.034 0.000 1.169 339 N CA 0.074 53.095 53.050 -0.048 0.000 0.947 339 N CB 1.095 39.539 38.487 -0.072 0.000 1.061 339 N HN 0.573 nan 8.380 nan 0.000 0.466 340 S N -0.669 115.015 115.700 -0.026 0.000 2.413 340 S HA 0.544 5.009 4.470 -0.010 0.000 0.170 340 S C 0.361 174.949 174.600 -0.019 0.000 1.294 340 S CA -0.783 57.423 58.200 0.010 0.000 1.201 340 S CB 0.678 63.852 63.200 -0.043 0.000 1.328 340 S HN 0.531 nan 8.310 nan 0.000 0.418 341 A N 2.177 124.998 122.820 0.001 0.000 1.849 341 A HA 0.441 4.755 4.320 -0.010 0.000 0.214 341 A C 0.169 177.866 177.584 0.188 0.000 1.269 341 A CA 0.767 52.805 52.037 0.002 0.000 0.605 341 A CB -0.472 18.425 19.000 -0.172 0.000 0.937 341 A HN 0.695 nan 8.150 nan 0.000 0.461 342 Y N 0.452 120.763 120.300 0.019 0.000 2.307 342 Y HA 0.547 5.092 4.550 -0.008 0.000 0.324 342 Y C 0.777 176.691 175.900 0.024 0.000 1.238 342 Y CA -1.176 56.919 58.100 -0.008 0.000 1.280 342 Y CB 0.791 39.252 38.460 0.002 0.000 1.248 342 Y HN 0.467 nan 8.280 nan 0.000 0.508 343 S N -0.261 115.536 115.700 0.162 0.000 2.625 343 S HA 0.761 5.225 4.470 -0.010 0.000 0.271 343 S C -1.074 173.581 174.600 0.091 0.000 1.161 343 S CA -0.941 57.336 58.200 0.128 0.000 0.820 343 S CB 2.138 65.371 63.200 0.054 0.000 1.137 343 S HN 0.536 nan 8.310 nan 0.000 0.470 344 S N 0.423 116.194 115.700 0.119 0.000 2.649 344 S HA 0.582 5.046 4.470 -0.010 0.000 0.274 344 S C -1.563 173.128 174.600 0.152 0.000 1.176 344 S CA -0.490 57.785 58.200 0.125 0.000 0.988 344 S CB 1.020 64.302 63.200 0.136 0.000 1.071 344 S HN 0.864 nan 8.310 nan 0.000 0.478 345 V N 5.491 125.492 119.914 0.145 0.000 2.427 345 V HA 0.646 4.760 4.120 -0.010 0.000 0.286 345 V C -0.371 175.850 176.094 0.211 0.000 1.034 345 V CA -0.685 61.715 62.300 0.166 0.000 0.893 345 V CB 1.330 33.230 31.823 0.128 0.000 0.982 345 V HN 0.771 nan 8.190 nan 0.000 0.452 346 L N 5.602 126.991 121.223 0.277 0.000 2.362 346 L HA 0.598 4.933 4.340 -0.010 0.000 0.275 346 L C -1.351 175.767 176.870 0.414 0.000 0.998 346 L CA -0.466 54.566 54.840 0.321 0.000 0.820 346 L CB 1.658 43.912 42.059 0.325 0.000 1.270 346 L HN 0.626 nan 8.230 nan 0.000 0.415 347 Y N 5.166 125.588 120.300 0.203 0.000 2.356 347 Y HA 0.574 5.117 4.550 -0.010 0.000 0.334 347 Y C -0.925 175.086 175.900 0.186 0.000 0.958 347 Y CA -0.681 57.522 58.100 0.172 0.000 1.196 347 Y CB 0.783 39.310 38.460 0.112 0.000 1.137 347 Y HN 0.715 nan 8.280 nan 0.000 0.485 348 K N 5.457 125.839 120.400 -0.029 0.000 2.541 348 K HA 0.289 4.603 4.320 -0.010 0.000 0.250 348 K C -1.028 175.498 176.600 -0.124 0.000 0.950 348 K CA -0.448 55.813 56.287 -0.043 0.000 0.805 348 K CB 0.875 33.458 32.500 0.139 0.000 1.166 348 K HN 0.729 nan 8.250 nan 0.000 0.430 349 D N 3.937 124.216 120.400 -0.202 0.000 2.689 349 D HA -0.200 4.434 4.640 -0.010 0.000 0.237 349 D C -0.389 175.802 176.300 -0.182 0.000 1.148 349 D CA 1.779 55.692 54.000 -0.144 0.000 0.656 349 D CB -0.786 39.991 40.800 -0.038 0.000 1.050 349 D HN 1.001 nan 8.370 nan 0.000 0.426 350 D N -1.103 119.049 120.400 -0.414 0.000 2.837 350 D HA -0.206 4.428 4.640 -0.010 0.000 0.230 350 D C -0.665 175.606 176.300 -0.048 0.000 1.152 350 D CA 1.202 55.063 54.000 -0.231 0.000 0.736 350 D CB -0.035 40.754 40.800 -0.019 0.000 1.084 350 D HN 0.324 nan 8.370 nan 0.000 0.429 351 K N -0.076 120.254 120.400 -0.118 0.000 2.371 351 K HA 0.591 4.905 4.320 -0.010 0.000 0.251 351 K C -0.637 175.884 176.600 -0.131 0.000 0.934 351 K CA -1.033 55.181 56.287 -0.122 0.000 0.798 351 K CB 2.046 34.448 32.500 -0.163 0.000 1.204 351 K HN 0.080 nan 8.250 nan 0.000 0.427 352 L N 2.750 123.821 121.223 -0.253 0.000 2.329 352 L HA 0.506 4.840 4.340 -0.010 0.000 0.279 352 L C -1.522 175.084 176.870 -0.440 0.000 1.014 352 L CA -0.304 54.470 54.840 -0.110 0.000 0.814 352 L CB 0.766 42.831 42.059 0.010 0.000 1.257 352 L HN 0.490 nan 8.230 nan 0.000 0.424 353 Y N 2.795 123.137 120.300 0.070 0.000 2.581 353 Y HA 0.648 5.192 4.550 -0.010 0.000 0.345 353 Y C -0.515 175.379 175.900 -0.010 0.000 1.036 353 Y CA -0.702 57.367 58.100 -0.052 0.000 1.042 353 Y CB 2.074 40.514 38.460 -0.033 0.000 1.289 353 Y HN 0.654 nan 8.280 nan 0.000 0.471 354 C N 3.156 122.504 119.300 0.081 0.000 2.551 354 C HA 0.719 5.174 4.460 -0.010 0.000 0.332 354 C C -1.688 173.375 174.990 0.121 0.000 1.139 354 C CA -0.708 58.387 59.018 0.128 0.000 1.328 354 C CB 0.081 27.899 27.740 0.130 0.000 1.903 354 C HN 0.789 nan 8.230 nan 0.000 0.459 355 L N 7.118 128.458 121.223 0.194 0.000 2.280 355 L HA 0.789 5.123 4.340 -0.010 0.000 0.287 355 L C -0.239 176.731 176.870 0.166 0.000 1.023 355 L CA 0.633 55.583 54.840 0.183 0.000 0.819 355 L CB 0.633 42.824 42.059 0.221 0.000 1.212 355 L HN 0.959 nan 8.230 nan 0.000 0.420 356 H N 1.361 120.472 119.070 0.069 0.000 2.985 356 H HA 0.613 5.163 4.556 -0.010 0.000 0.360 356 H C -1.247 174.110 175.328 0.049 0.000 1.221 356 H CA -0.988 55.091 56.048 0.052 0.000 1.121 356 H CB 0.852 30.635 29.762 0.035 0.000 1.854 356 H HN 0.552 nan 8.280 nan 0.000 0.551 357 E N 1.177 121.529 120.200 0.252 0.000 2.366 357 E HA 0.341 4.685 4.350 -0.010 0.000 0.266 357 E C -0.177 176.553 176.600 0.217 0.000 1.051 357 E CA -0.453 56.059 56.400 0.187 0.000 0.884 357 E CB 1.368 31.179 29.700 0.185 0.000 1.006 357 E HN 0.561 nan 8.360 nan 0.000 0.417 358 I N -0.288 120.338 120.570 0.093 0.000 2.582 358 I HA 0.467 4.631 4.170 -0.010 0.000 0.292 358 I C -1.015 175.044 176.117 -0.097 0.000 1.066 358 I CA -0.830 60.487 61.300 0.029 0.000 1.053 358 I CB 2.018 40.028 38.000 0.017 0.000 1.241 358 I HN 0.372 nan 8.210 nan 0.000 0.421 359 N N 4.107 122.680 118.700 -0.211 0.000 2.461 359 N HA 0.411 5.146 4.740 -0.010 0.000 0.284 359 N C -1.594 173.741 175.510 -0.290 0.000 1.049 359 N CA -0.293 52.467 53.050 -0.483 0.000 0.889 359 N CB 1.791 39.810 38.487 -0.781 0.000 1.365 359 N HN 0.708 nan 8.380 nan 0.000 0.499 360 S N 2.716 118.273 115.700 -0.239 0.000 2.596 360 S HA 0.312 4.776 4.470 -0.010 0.000 0.318 360 S C -0.134 174.393 174.600 -0.121 0.000 1.097 360 S CA -0.626 57.491 58.200 -0.138 0.000 1.080 360 S CB 0.871 64.020 63.200 -0.085 0.000 0.991 360 S HN 0.751 nan 8.310 nan 0.000 0.471 361 N N 3.004 121.653 118.700 -0.085 0.000 2.721 361 N HA -0.151 4.584 4.740 -0.010 0.000 0.249 361 N C -0.487 175.012 175.510 -0.019 0.000 1.072 361 N CA 1.000 54.027 53.050 -0.038 0.000 0.710 361 N CB -0.764 37.713 38.487 -0.017 0.000 0.993 361 N HN 0.772 nan 8.380 nan 0.000 0.547 362 E N -3.497 116.655 120.200 -0.080 0.000 2.637 362 E HA -0.193 4.151 4.350 -0.010 0.000 0.265 362 E C -0.588 176.117 176.600 0.175 0.000 1.073 362 E CA 0.857 57.275 56.400 0.030 0.000 0.778 362 E CB -1.840 27.949 29.700 0.148 0.000 1.362 362 E HN 0.407 nan 8.360 nan 0.000 0.413 363 V N 1.121 121.024 119.914 -0.019 0.000 2.444 363 V HA 0.436 4.550 4.120 -0.010 0.000 0.294 363 V C -0.273 175.793 176.094 -0.047 0.000 1.022 363 V CA -0.709 61.628 62.300 0.061 0.000 0.850 363 V CB 0.951 32.709 31.823 -0.109 0.000 0.992 363 V HN 0.051 nan 8.190 nan 0.000 0.426 364 Y N 1.810 122.120 120.300 0.018 0.000 2.352 364 Y HA 0.679 5.223 4.550 -0.010 0.000 0.339 364 Y C 0.685 176.634 175.900 0.081 0.000 0.992 364 Y CA -0.393 57.723 58.100 0.028 0.000 1.100 364 Y CB 2.210 40.678 38.460 0.013 0.000 1.192 364 Y HN 0.591 nan 8.280 nan 0.000 0.458 365 S N 2.976 118.792 115.700 0.194 0.000 2.648 365 S HA 0.711 5.175 4.470 -0.010 0.000 0.305 365 S C -0.972 173.696 174.600 0.113 0.000 1.094 365 S CA -0.879 57.429 58.200 0.180 0.000 0.983 365 S CB 1.085 64.334 63.200 0.082 0.000 1.101 365 S HN 0.453 nan 8.310 nan 0.000 0.514 366 L N 2.315 123.578 121.223 0.066 0.000 2.305 366 L HA 0.590 4.924 4.340 -0.010 0.000 0.284 366 L C -0.413 176.447 176.870 -0.017 0.000 1.013 366 L CA -0.974 53.858 54.840 -0.012 0.000 0.819 366 L CB 1.483 43.465 42.059 -0.128 0.000 1.227 366 L HN 0.450 nan 8.230 nan 0.000 0.417 367 V N 0.058 119.887 119.914 -0.142 0.000 2.617 367 V HA 0.505 4.619 4.120 -0.010 0.000 0.298 367 V C -0.761 175.311 176.094 -0.037 0.000 1.048 367 V CA -0.609 61.612 62.300 -0.132 0.000 0.964 367 V CB 1.714 33.382 31.823 -0.258 0.000 1.004 367 V HN 0.559 nan 8.190 nan 0.000 0.466 368 F N 4.106 124.010 119.950 -0.078 0.000 2.375 368 F HA 0.828 5.349 4.527 -0.010 0.000 0.361 368 F C 0.253 176.107 175.800 0.091 0.000 1.117 368 F CA -0.601 57.414 58.000 0.025 0.000 1.037 368 F CB 0.520 39.537 39.000 0.029 0.000 1.192 368 F HN 0.944 nan 8.300 nan 0.000 0.452 369 A N 6.667 129.280 122.820 -0.346 0.000 2.317 369 A HA 0.715 5.029 4.320 -0.010 0.000 0.327 369 A C -0.541 176.859 177.584 -0.307 0.000 1.178 369 A CA -0.916 50.990 52.037 -0.219 0.000 0.817 369 A CB 0.785 19.759 19.000 -0.043 0.000 1.189 369 A HN 0.824 nan 8.150 nan 0.000 0.489 370 R N 2.420 122.818 120.500 -0.171 0.000 2.204 370 R HA 0.309 4.643 4.340 -0.010 0.000 0.341 370 R C -0.855 175.360 176.300 -0.142 0.000 1.035 370 R CA -0.225 55.780 56.100 -0.159 0.000 0.887 370 R CB 0.682 30.959 30.300 -0.038 0.000 1.114 370 R HN 0.635 nan 8.270 nan 0.000 0.473 371 L N 4.312 125.426 121.223 -0.181 0.000 2.583 371 L HA 0.084 4.418 4.340 -0.010 0.000 0.239 371 L C 1.361 178.170 176.870 -0.102 0.000 1.347 371 L CA -0.223 54.553 54.840 -0.107 0.000 1.246 371 L CB 0.203 42.217 42.059 -0.075 0.000 1.496 371 L HN 0.557 nan 8.230 nan 0.000 0.413 372 V N 0.971 120.832 119.914 -0.089 0.000 2.307 372 V HA -0.192 3.922 4.120 -0.010 0.000 0.245 372 V C 2.487 178.557 176.094 -0.041 0.000 1.045 372 V CA 2.279 64.540 62.300 -0.065 0.000 1.024 372 V CB -0.634 31.161 31.823 -0.046 0.000 0.651 372 V HN 0.797 nan 8.190 nan 0.000 0.449 373 G N -0.493 108.288 108.800 -0.032 0.000 2.422 373 G HA2 -0.223 3.731 3.960 -0.010 0.000 0.218 373 G HA3 -0.223 3.731 3.960 -0.010 0.000 0.218 373 G C 1.440 176.327 174.900 -0.021 0.000 1.146 373 G CA 0.880 45.967 45.100 -0.021 0.000 0.769 373 G HN 0.529 nan 8.290 nan 0.000 0.547 374 E N -0.172 120.013 120.200 -0.026 0.000 2.077 374 E HA -0.065 4.279 4.350 -0.010 0.000 0.193 374 E C 2.291 178.874 176.600 -0.028 0.000 0.989 374 E CA 0.472 56.861 56.400 -0.020 0.000 0.800 374 E CB -0.342 29.344 29.700 -0.023 0.000 0.746 374 E HN 0.334 nan 8.360 nan 0.000 0.452 375 L N 0.956 122.156 121.223 -0.038 0.000 2.083 375 L HA -0.117 4.217 4.340 -0.010 0.000 0.209 375 L C 2.263 179.105 176.870 -0.047 0.000 1.083 375 L CA 1.733 56.547 54.840 -0.043 0.000 0.752 375 L CB -0.313 41.734 42.059 -0.019 0.000 0.899 375 L HN -0.004 nan 8.230 nan 0.000 0.433 376 R N -0.322 120.156 120.500 -0.037 0.000 2.073 376 R HA -0.172 4.163 4.340 -0.010 0.000 0.234 376 R C 2.310 178.577 176.300 -0.056 0.000 1.134 376 R CA 2.165 58.242 56.100 -0.039 0.000 0.952 376 R CB -0.447 29.837 30.300 -0.027 0.000 0.850 376 R HN 0.453 nan 8.270 nan 0.000 0.433 377 I N 0.693 121.236 120.570 -0.044 0.000 2.179 377 I HA -0.303 3.862 4.170 -0.010 0.000 0.242 377 I C 2.362 178.398 176.117 -0.135 0.000 1.088 377 I CA 1.340 62.609 61.300 -0.052 0.000 1.357 377 I CB -0.237 37.779 38.000 0.025 0.000 1.051 377 I HN 0.231 nan 8.210 nan 0.000 0.409 378 I N 0.676 121.177 120.570 -0.115 0.000 2.151 378 I HA -0.347 3.817 4.170 -0.010 0.000 0.243 378 I C 2.523 178.499 176.117 -0.236 0.000 1.080 378 I CA 1.656 62.846 61.300 -0.183 0.000 1.339 378 I CB -0.383 37.543 38.000 -0.124 0.000 1.039 378 I HN 0.163 nan 8.210 nan 0.000 0.409 379 K N -0.021 120.283 120.400 -0.161 0.000 2.097 379 K HA -0.182 4.132 4.320 -0.010 0.000 0.206 379 K C 2.363 178.859 176.600 -0.173 0.000 1.049 379 K CA 1.657 57.858 56.287 -0.144 0.000 0.933 379 K CB -0.237 32.214 32.500 -0.082 0.000 0.717 379 K HN 0.208 nan 8.250 nan 0.000 0.442 380 S N 0.511 116.106 115.700 -0.174 0.000 2.368 380 S HA -0.114 4.350 4.470 -0.010 0.000 0.225 380 S C 1.998 176.440 174.600 -0.264 0.000 1.030 380 S CA 1.155 59.251 58.200 -0.173 0.000 0.999 380 S CB -0.149 62.972 63.200 -0.132 0.000 0.844 380 S HN 0.078 nan 8.310 nan 0.000 0.459 381 V N 2.188 121.851 119.914 -0.417 0.000 2.343 381 V HA -0.115 3.999 4.120 -0.010 0.000 0.247 381 V C 2.429 178.038 176.094 -0.810 0.000 1.051 381 V CA 1.774 63.669 62.300 -0.675 0.000 1.036 381 V CB -0.698 30.493 31.823 -1.053 0.000 0.654 381 V HN 0.486 nan 8.190 nan 0.000 0.451 382 L N -0.437 120.402 121.223 -0.640 0.000 2.083 382 L HA -0.222 4.113 4.340 -0.010 0.000 0.209 382 L C 2.630 179.401 176.870 -0.164 0.000 1.083 382 L CA 1.549 56.133 54.840 -0.425 0.000 0.752 382 L CB -0.581 41.338 42.059 -0.233 0.000 0.899 382 L HN 0.362 nan 8.230 nan 0.000 0.433 383 Q N 0.149 119.849 119.800 -0.167 0.000 2.084 383 Q HA -0.165 4.169 4.340 -0.010 0.000 0.202 383 Q C 2.307 178.250 176.000 -0.095 0.000 0.978 383 Q CA 2.158 57.900 55.803 -0.102 0.000 0.844 383 Q CB -0.156 28.514 28.738 -0.112 0.000 0.898 383 Q HN 0.325 nan 8.270 nan 0.000 0.426 384 S N -0.456 115.176 115.700 -0.114 0.000 2.370 384 S HA -0.144 4.321 4.470 -0.010 0.000 0.226 384 S C 1.302 176.013 174.600 0.186 0.000 1.033 384 S CA 1.217 59.388 58.200 -0.048 0.000 1.011 384 S CB -0.470 62.761 63.200 0.052 0.000 0.852 384 S HN 0.501 nan 8.310 nan 0.000 0.457 385 W N 1.949 123.322 121.300 0.121 0.000 2.354 385 W HA 0.017 4.672 4.660 -0.010 0.000 0.315 385 W C 2.393 179.050 176.519 0.231 0.000 1.206 385 W CA 0.525 58.051 57.345 0.302 0.000 1.290 385 W CB -1.273 28.379 29.460 0.319 0.000 1.152 385 W HN 0.299 nan 8.180 nan 0.000 0.489 386 K N 0.286 120.890 120.400 0.341 0.000 2.063 386 K HA -0.226 4.089 4.320 -0.010 0.000 0.208 386 K C 1.745 178.410 176.600 0.109 0.000 1.048 386 K CA 1.902 58.306 56.287 0.196 0.000 0.928 386 K CB -0.334 32.231 32.500 0.109 0.000 0.713 386 K HN -0.046 nan 8.250 nan 0.000 0.442 387 N N 0.138 118.830 118.700 -0.013 0.000 2.084 387 N HA -0.148 4.587 4.740 -0.010 0.000 0.190 387 N C 1.479 176.894 175.510 -0.158 0.000 1.030 387 N CA 1.529 54.464 53.050 -0.193 0.000 0.849 387 N CB -0.438 37.784 38.487 -0.441 0.000 1.012 387 N HN 0.381 nan 8.380 nan 0.000 0.423 388 W N 1.272 122.616 121.300 0.073 0.000 2.436 388 W HA -0.029 4.625 4.660 -0.011 0.000 0.284 388 W C 1.758 178.410 176.519 0.221 0.000 1.225 388 W CA -0.030 57.369 57.345 0.090 0.000 1.271 388 W CB -0.039 29.327 29.460 -0.156 0.000 1.114 388 W HN -0.012 nan 8.180 nan 0.000 0.559 389 D N -0.383 120.287 120.400 0.449 0.000 2.117 389 D HA -0.181 4.453 4.640 -0.010 0.000 0.197 389 D C 2.204 178.631 176.300 0.212 0.000 0.987 389 D CA 1.661 55.860 54.000 0.332 0.000 0.829 389 D CB -0.772 40.197 40.800 0.282 0.000 0.961 389 D HN -0.055 nan 8.370 nan 0.000 0.460 390 S N -0.581 115.222 115.700 0.170 0.000 2.356 390 S HA -0.258 4.206 4.470 -0.010 0.000 0.223 390 S C 1.976 176.641 174.600 0.109 0.000 1.032 390 S CA 1.815 60.077 58.200 0.103 0.000 1.005 390 S CB -0.341 62.893 63.200 0.058 0.000 0.867 390 S HN 0.417 nan 8.310 nan 0.000 0.449 391 H N 1.112 120.213 119.070 0.051 0.000 2.289 391 H HA -0.037 4.513 4.556 -0.010 0.000 0.296 391 H C 1.948 177.335 175.328 0.098 0.000 1.091 391 H CA 2.356 58.431 56.048 0.045 0.000 1.274 391 H CB -0.637 29.175 29.762 0.085 0.000 1.364 391 H HN 0.390 nan 8.280 nan 0.000 0.490 392 L N -0.626 120.569 121.223 -0.048 0.000 2.056 392 L HA -0.141 4.193 4.340 -0.010 0.000 0.207 392 L C 2.673 179.492 176.870 -0.085 0.000 1.078 392 L CA 1.390 56.147 54.840 -0.137 0.000 0.749 392 L CB -0.455 41.624 42.059 0.034 0.000 0.901 392 L HN 0.281 nan 8.230 nan 0.000 0.433 393 S N -0.578 115.117 115.700 -0.009 0.000 2.423 393 S HA -0.130 4.334 4.470 -0.010 0.000 0.231 393 S C 2.092 176.679 174.600 -0.021 0.000 1.014 393 S CA 1.351 59.549 58.200 -0.003 0.000 0.965 393 S CB -0.124 63.092 63.200 0.028 0.000 0.785 393 S HN 0.601 nan 8.310 nan 0.000 0.495 394 S N 0.678 116.358 115.700 -0.033 0.000 2.527 394 S HA 0.185 4.649 4.470 -0.010 0.000 0.222 394 S C 0.553 175.131 174.600 -0.038 0.000 0.985 394 S CA -0.210 57.976 58.200 -0.023 0.000 0.921 394 S CB -0.534 62.664 63.200 -0.003 0.000 0.772 394 S HN 0.378 nan 8.310 nan 0.000 0.529 395 I N 2.078 122.602 120.570 -0.077 0.000 2.668 395 I HA 0.018 4.182 4.170 -0.010 0.000 0.285 395 I C 0.611 176.704 176.117 -0.039 0.000 1.168 395 I CA -0.444 60.816 61.300 -0.066 0.000 1.424 395 I CB 0.328 38.267 38.000 -0.100 0.000 1.377 395 I HN 0.279 nan 8.210 nan 0.000 0.560 396 c N 7.915 126.500 118.600 -0.024 0.000 2.345 396 c HA 0.234 4.798 4.570 -0.010 0.000 0.349 396 c C 1.191 175.263 174.090 -0.029 0.000 1.130 396 c CA -0.624 55.692 56.329 -0.021 0.000 1.574 396 c CB -1.545 40.958 42.510 -0.012 0.000 2.108 396 c HN 0.862 nan 8.230 nan 0.000 0.516 397 T N 5.044 119.575 114.554 -0.038 0.000 2.898 397 T HA 0.363 4.707 4.350 -0.010 0.000 0.301 397 T C -2.522 172.148 174.700 -0.050 0.000 1.049 397 T CA -1.195 60.875 62.100 -0.050 0.000 1.095 397 T CB 0.641 69.476 68.868 -0.055 0.000 0.976 397 T HN 0.535 nan 8.240 nan 0.000 0.539 398 P HA 0.297 nan 4.420 nan 0.000 0.265 398 P C -0.017 177.253 177.300 -0.051 0.000 1.193 398 P CA -0.158 62.905 63.100 -0.062 0.000 0.765 398 P CB 0.089 31.735 31.700 -0.090 0.000 0.823 411 G N 1.800 110.583 108.800 -0.028 0.000 2.553 411 G HA2 0.601 4.556 3.960 -0.010 0.000 0.278 411 G HA3 0.601 4.556 3.960 -0.010 0.000 0.278 411 G C -2.656 172.226 174.900 -0.030 0.000 1.349 411 G CA -0.547 44.535 45.100 -0.030 0.000 1.037 411 G HN 0.546 nan 8.290 nan 0.000 0.508 412 P HA 0.300 nan 4.420 nan 0.000 0.268 412 P C -0.102 177.177 177.300 -0.035 0.000 1.208 412 P CA 0.050 63.131 63.100 -0.032 0.000 0.777 412 P CB 0.552 32.230 31.700 -0.036 0.000 0.875 413 A N 2.714 125.515 122.820 -0.031 0.000 2.371 413 A HA 0.253 4.567 4.320 -0.010 0.000 0.257 413 A C 0.037 177.601 177.584 -0.033 0.000 1.089 413 A CA -0.455 51.564 52.037 -0.030 0.000 0.794 413 A CB -0.035 18.952 19.000 -0.021 0.000 1.029 413 A HN 0.398 nan 8.150 nan 0.000 0.488 414 V N 2.017 121.910 119.914 -0.034 0.000 2.617 414 V HA 0.089 4.203 4.120 -0.010 0.000 0.304 414 V C 1.281 177.371 176.094 -0.006 0.000 1.040 414 V CA 0.656 62.940 62.300 -0.027 0.000 1.149 414 V CB 0.874 32.678 31.823 -0.033 0.000 0.914 414 V HN 0.974 nan 8.190 nan 0.000 0.487 415 T N 3.318 117.871 114.554 -0.002 0.000 2.869 415 T HA 0.281 4.625 4.350 -0.010 0.000 0.295 415 T C 0.919 175.695 174.700 0.127 0.000 0.987 415 T CA 0.165 62.278 62.100 0.022 0.000 1.109 415 T CB 0.809 69.647 68.868 -0.050 0.000 0.932 415 T HN 1.033 nan 8.240 nan 0.000 0.518 416 T N 1.345 115.954 114.554 0.093 0.000 3.040 416 T HA 0.262 4.606 4.350 -0.010 0.000 0.266 416 T C 0.351 175.076 174.700 0.043 0.000 1.005 416 T CA -0.283 61.861 62.100 0.074 0.000 0.906 416 T CB 0.049 68.954 68.868 0.061 0.000 1.082 416 T HN 0.359 nan 8.240 nan 0.000 0.531 417 V N 2.457 122.409 119.914 0.064 0.000 2.439 417 V HA 0.538 4.652 4.120 -0.010 0.000 0.271 417 V C 1.592 177.712 176.094 0.044 0.000 1.040 417 V CA 0.898 63.212 62.300 0.023 0.000 1.002 417 V CB -0.197 31.628 31.823 0.003 0.000 1.000 417 V HN 0.841 nan 8.190 nan 0.000 0.477 418 G N 4.528 113.301 108.800 -0.046 0.000 2.157 418 G HA2 -0.221 3.734 3.960 -0.010 0.000 0.248 418 G HA3 -0.221 3.734 3.960 -0.010 0.000 0.248 418 G C -0.112 174.665 174.900 -0.206 0.000 0.979 418 G CA 0.109 45.148 45.100 -0.102 0.000 0.650 418 G HN 0.778 nan 8.290 nan 0.000 0.529 419 L N 1.642 122.670 121.223 -0.326 0.000 2.385 419 L HA 0.630 4.964 4.340 -0.010 0.000 0.281 419 L C 1.289 177.722 176.870 -0.729 0.000 1.106 419 L CA 0.302 54.686 54.840 -0.760 0.000 0.856 419 L CB 1.360 42.984 42.059 -0.726 0.000 1.186 419 L HN 0.023 nan 8.230 nan 0.000 0.453 420 V N 4.359 123.886 119.914 -0.645 0.000 3.085 420 V HA 0.447 4.561 4.120 -0.010 0.000 0.245 420 V C 1.039 176.937 176.094 -0.325 0.000 1.114 420 V CA 0.767 62.768 62.300 -0.499 0.000 1.108 420 V CB 0.036 31.642 31.823 -0.362 0.000 0.798 420 V HN 0.868 nan 8.190 nan 0.000 0.471 421 G N -1.129 107.555 108.800 -0.194 0.000 2.659 421 G HA2 0.631 4.585 3.960 -0.010 0.000 0.296 421 G HA3 0.631 4.585 3.960 -0.010 0.000 0.296 421 G C -1.890 173.299 174.900 0.481 0.000 1.369 421 G CA -0.411 44.877 45.100 0.313 0.000 0.937 421 G HN 0.005 nan 8.290 nan 0.000 0.485 422 F N 1.868 122.010 119.950 0.321 0.000 2.787 422 F HA 0.475 4.997 4.527 -0.009 0.000 0.340 422 F C -1.312 174.344 175.800 -0.240 0.000 1.232 422 F CA -1.101 56.917 58.000 0.029 0.000 1.051 422 F CB 1.274 40.321 39.000 0.078 0.000 1.330 422 F HN 0.258 nan 8.300 nan 0.000 0.522 423 L N 6.187 127.129 121.223 -0.468 0.000 2.265 423 L HA 0.494 4.828 4.340 -0.010 0.000 0.289 423 L C 0.015 176.427 176.870 -0.764 0.000 1.033 423 L CA -0.073 54.135 54.840 -1.054 0.000 0.814 423 L CB 1.501 42.332 42.059 -2.047 0.000 1.203 423 L HN 0.653 nan 8.230 nan 0.000 0.423 424 S N 0.193 115.585 115.700 -0.514 0.000 4.174 424 S HA 0.127 4.592 4.470 -0.010 0.000 0.210 424 S C 0.988 175.657 174.600 0.115 0.000 1.163 424 S CA -0.073 57.976 58.200 -0.252 0.000 1.560 424 S CB 0.154 62.844 63.200 -0.851 0.000 1.473 424 S HN 0.795 nan 8.310 nan 0.000 0.742 425 H N 1.348 120.352 119.070 -0.111 0.000 2.395 425 H HA 0.405 4.955 4.556 -0.010 0.000 0.299 425 H C 0.413 175.735 175.328 -0.010 0.000 1.070 425 H CA 1.573 57.601 56.048 -0.033 0.000 1.356 425 H CB -0.231 29.505 29.762 -0.044 0.000 1.401 425 H HN 0.217 nan 8.280 nan 0.000 0.524 426 S N 0.519 116.231 115.700 0.020 0.000 2.488 426 S HA 0.524 4.988 4.470 -0.010 0.000 0.278 426 S C -0.471 174.149 174.600 0.033 0.000 1.259 426 S CA 0.139 58.345 58.200 0.009 0.000 1.061 426 S CB 0.652 63.875 63.200 0.038 0.000 0.910 426 S HN 0.591 nan 8.310 nan 0.000 0.491 427 A N 2.887 125.681 122.820 -0.043 0.000 2.594 427 A HA 0.726 5.041 4.320 -0.010 0.000 0.296 427 A C -0.039 177.507 177.584 -0.064 0.000 1.061 427 A CA -0.881 51.130 52.037 -0.044 0.000 0.689 427 A CB 0.976 19.863 19.000 -0.189 0.000 1.280 427 A HN 0.701 nan 8.150 nan 0.000 0.406 428 T N -1.237 113.298 114.554 -0.031 0.000 2.876 428 T HA 0.514 4.858 4.350 -0.010 0.000 0.277 428 T C 1.090 175.760 174.700 -0.049 0.000 0.997 428 T CA 0.137 62.219 62.100 -0.029 0.000 0.966 428 T CB 0.903 69.774 68.868 0.006 0.000 1.312 428 T HN 0.688 nan 8.240 nan 0.000 0.598 429 K N 0.390 120.769 120.400 -0.036 0.000 2.147 429 K HA -0.071 4.244 4.320 -0.010 0.000 0.205 429 K C 1.898 178.482 176.600 -0.027 0.000 1.049 429 K CA 2.359 58.621 56.287 -0.042 0.000 0.936 429 K CB -0.888 31.596 32.500 -0.027 0.000 0.722 429 K HN 0.840 nan 8.250 nan 0.000 0.446 430 T N -3.328 111.226 114.554 -0.000 0.000 3.043 430 T HA 0.308 4.653 4.350 -0.010 0.000 0.272 430 T C -0.084 174.649 174.700 0.054 0.000 0.990 430 T CA -0.652 61.463 62.100 0.025 0.000 0.897 430 T CB 0.194 69.080 68.868 0.031 0.000 1.111 430 T HN 0.094 nan 8.240 nan 0.000 0.529 431 E N 0.031 120.263 120.200 0.054 0.000 2.340 431 E HA 0.369 4.713 4.350 -0.010 0.000 0.273 431 E C -1.933 174.751 176.600 0.140 0.000 0.891 431 E CA -0.914 55.550 56.400 0.106 0.000 0.757 431 E CB 1.771 31.532 29.700 0.102 0.000 1.231 431 E HN 0.220 nan 8.360 nan 0.000 0.439 432 W N 3.081 124.358 121.300 -0.039 0.000 2.329 432 W HA 0.279 4.934 4.660 -0.008 0.000 0.312 432 W C -0.562 175.894 176.519 -0.106 0.000 1.054 432 W CA -0.935 56.352 57.345 -0.097 0.000 1.245 432 W CB 0.687 30.072 29.460 -0.125 0.000 1.255 432 W HN 0.518 nan 8.180 nan 0.000 0.436 433 E N 2.952 123.278 120.200 0.210 0.000 2.259 433 E HA -0.010 4.334 4.350 -0.010 0.000 0.281 433 E C -0.486 176.096 176.600 -0.030 0.000 1.027 433 E CA -0.384 56.066 56.400 0.083 0.000 0.838 433 E CB 1.032 30.787 29.700 0.091 0.000 1.066 433 E HN 0.172 nan 8.360 nan 0.000 0.401 434 D N 2.202 122.637 120.400 0.058 0.000 2.401 434 D HA 0.024 4.658 4.640 -0.010 0.000 0.254 434 D C 0.633 176.989 176.300 0.093 0.000 1.192 434 D CA 0.093 54.170 54.000 0.129 0.000 0.885 434 D CB 1.167 42.188 40.800 0.369 0.000 1.147 434 D HN 0.503 nan 8.370 nan 0.000 0.478 435 A N 3.991 126.760 122.820 -0.086 0.000 1.972 435 A HA -0.204 4.111 4.320 -0.010 0.000 0.219 435 A C 1.473 179.022 177.584 -0.059 0.000 1.169 435 A CA 1.101 52.946 52.037 -0.319 0.000 0.635 435 A CB -0.668 17.738 19.000 -0.989 0.000 0.810 435 A HN 0.744 nan 8.150 nan 0.000 0.446 436 Y N -1.225 119.248 120.300 0.288 0.000 2.490 436 Y HA 0.169 4.714 4.550 -0.009 0.000 0.281 436 Y C 0.984 177.243 175.900 0.599 0.000 1.174 436 Y CA 0.525 58.905 58.100 0.468 0.000 1.295 436 Y CB 0.000 38.583 38.460 0.204 0.000 1.062 436 Y HN 0.355 nan 8.280 nan 0.000 0.522 437 R N -2.910 117.899 120.500 0.516 0.000 3.953 437 R HA -0.270 4.064 4.340 -0.010 0.000 0.340 437 R C 0.710 177.370 176.300 0.601 0.000 1.195 437 R CA 0.787 57.172 56.100 0.475 0.000 0.929 437 R CB -2.658 27.861 30.300 0.366 0.000 1.402 437 R HN 0.430 nan 8.270 nan 0.000 0.540 438 C N -1.041 118.612 119.300 0.588 0.000 2.469 438 C HA 0.236 4.690 4.460 -0.010 0.000 0.309 438 C C 0.929 176.115 174.990 0.328 0.000 1.385 438 C CA 0.327 59.659 59.018 0.524 0.000 1.890 438 C CB 0.674 28.726 27.740 0.520 0.000 2.245 438 C HN 0.252 nan 8.230 nan 0.000 0.530 439 V N 3.030 123.156 119.914 0.353 0.000 2.462 439 V HA 0.345 4.460 4.120 -0.010 0.000 0.288 439 V C -1.214 175.170 176.094 0.482 0.000 1.020 439 V CA -0.507 61.966 62.300 0.289 0.000 0.857 439 V CB 1.144 32.959 31.823 -0.012 0.000 1.013 439 V HN 0.362 nan 8.190 nan 0.000 0.431 440 N N 2.488 121.378 118.700 0.317 0.000 2.424 440 N HA 0.681 5.415 4.740 -0.010 0.000 0.257 440 N C 0.099 175.760 175.510 0.253 0.000 1.250 440 N CA -0.132 53.060 53.050 0.237 0.000 0.946 440 N CB 1.547 40.137 38.487 0.173 0.000 1.175 440 N HN 0.841 nan 8.380 nan 0.000 0.477 441 A N -0.022 122.852 122.820 0.091 0.000 2.324 441 A HA 0.549 4.863 4.320 -0.010 0.000 0.330 441 A C 0.079 177.779 177.584 0.192 0.000 1.165 441 A CA -0.681 51.441 52.037 0.143 0.000 0.813 441 A CB 0.270 19.253 19.000 -0.029 0.000 1.197 441 A HN 0.646 nan 8.150 nan 0.000 0.484 442 S N 1.041 116.852 115.700 0.185 0.000 2.601 442 S HA 0.691 5.156 4.470 -0.010 0.000 0.271 442 S C 0.241 174.944 174.600 0.171 0.000 1.305 442 S CA 0.184 58.473 58.200 0.148 0.000 1.022 442 S CB 1.026 64.288 63.200 0.104 0.000 0.940 442 S HN 1.453 nan 8.310 nan 0.000 0.525 443 T N -2.321 112.320 114.554 0.146 0.000 2.901 443 T HA 0.849 5.193 4.350 -0.010 0.000 0.293 443 T C -0.783 173.992 174.700 0.126 0.000 1.084 443 T CA -0.775 61.430 62.100 0.174 0.000 1.008 443 T CB 1.514 70.484 68.868 0.170 0.000 1.170 443 T HN 1.454 nan 8.240 nan 0.000 0.509 444 A N 1.361 124.277 122.820 0.160 0.000 2.520 444 A HA 0.731 5.045 4.320 -0.010 0.000 0.298 444 A C -0.171 177.507 177.584 0.157 0.000 1.051 444 A CA -0.948 51.159 52.037 0.116 0.000 0.690 444 A CB 0.685 19.738 19.000 0.089 0.000 1.281 444 A HN 1.013 nan 8.150 nan 0.000 0.402 445 N N -1.175 117.579 118.700 0.090 0.000 2.721 445 N HA -0.172 4.562 4.740 -0.010 0.000 0.249 445 N C -0.089 175.459 175.510 0.064 0.000 1.072 445 N CA 1.382 54.479 53.050 0.078 0.000 0.710 445 N CB -1.277 37.274 38.487 0.107 0.000 0.993 445 N HN 1.464 nan 8.380 nan 0.000 0.547 446 A N -0.011 122.794 122.820 -0.026 0.000 2.324 446 A HA 0.635 4.949 4.320 -0.010 0.000 0.330 446 A C 0.166 177.579 177.584 -0.285 0.000 1.165 446 A CA -0.594 51.282 52.037 -0.269 0.000 0.813 446 A CB 1.354 20.147 19.000 -0.345 0.000 1.197 446 A HN 0.261 nan 8.150 nan 0.000 0.484 447 E N 2.205 122.182 120.200 -0.372 0.000 2.187 447 E HA 0.406 4.751 4.350 -0.010 0.000 0.268 447 E C -0.629 175.756 176.600 -0.357 0.000 0.896 447 E CA -0.709 55.520 56.400 -0.285 0.000 0.766 447 E CB 0.945 30.517 29.700 -0.214 0.000 1.142 447 E HN 0.657 nan 8.360 nan 0.000 0.408 448 R N 1.988 122.305 120.500 -0.305 0.000 2.537 448 R HA 0.249 4.583 4.340 -0.010 0.000 0.280 448 R C 0.025 176.172 176.300 -0.255 0.000 1.058 448 R CA -0.157 55.744 56.100 -0.331 0.000 1.057 448 R CB 0.777 30.898 30.300 -0.300 0.000 0.973 448 R HN 0.432 nan 8.270 nan 0.000 0.438 449 V N 0.207 119.972 119.914 -0.249 0.000 3.141 449 V HA 0.539 4.653 4.120 -0.010 0.000 0.312 449 V C -2.646 173.415 176.094 -0.054 0.000 1.157 449 V CA -3.295 58.928 62.300 -0.129 0.000 1.041 449 V CB 1.971 33.731 31.823 -0.104 0.000 1.071 449 V HN 0.528 nan 8.190 nan 0.000 0.441 450 P HA 0.181 nan 4.420 nan 0.000 0.261 450 P C 0.001 177.434 177.300 0.223 0.000 1.183 450 P CA 0.835 64.076 63.100 0.236 0.000 0.761 450 P CB -0.115 31.664 31.700 0.131 0.000 0.785 451 N N 1.050 119.991 118.700 0.402 0.000 2.753 451 N HA -0.175 4.559 4.740 -0.010 0.000 0.251 451 N C 0.570 176.201 175.510 0.203 0.000 1.097 451 N CA 1.774 54.968 53.050 0.240 0.000 0.786 451 N CB -1.433 37.165 38.487 0.185 0.000 1.137 451 N HN 0.701 nan 8.380 nan 0.000 0.566 452 G N -1.357 107.496 108.800 0.089 0.000 2.364 452 G HA2 0.578 4.532 3.960 -0.010 0.000 0.286 452 G HA3 0.578 4.532 3.960 -0.010 0.000 0.286 452 G C -1.813 172.822 174.900 -0.442 0.000 1.241 452 G CA -0.693 44.423 45.100 0.028 0.000 0.887 452 G HN 0.089 nan 8.290 nan 0.000 0.484 453 L N 0.099 120.918 121.223 -0.673 0.000 2.409 453 L HA 0.646 4.981 4.340 -0.010 0.000 0.262 453 L C -0.492 175.875 176.870 -0.838 0.000 0.992 453 L CA -0.876 53.385 54.840 -0.964 0.000 0.817 453 L CB 2.706 43.814 42.059 -1.585 0.000 1.350 453 L HN 0.587 nan 8.230 nan 0.000 0.411 454 K N 1.957 121.917 120.400 -0.734 0.000 2.274 454 K HA 0.635 4.949 4.320 -0.010 0.000 0.262 454 K C -1.611 174.669 176.600 -0.535 0.000 0.961 454 K CA -0.362 55.669 56.287 -0.428 0.000 0.833 454 K CB 1.026 33.400 32.500 -0.210 0.000 1.102 454 K HN 0.300 nan 8.250 nan 0.000 0.436 455 F N 1.997 121.941 119.950 -0.010 0.000 2.523 455 F HA 0.762 5.283 4.527 -0.010 0.000 0.329 455 F C 0.155 175.975 175.800 0.032 0.000 1.061 455 F CA -0.710 57.288 58.000 -0.004 0.000 0.967 455 F CB 2.301 41.307 39.000 0.010 0.000 1.218 455 F HN 0.597 nan 8.300 nan 0.000 0.480 456 A N 0.944 123.896 122.820 0.220 0.000 2.599 456 A HA 0.741 5.055 4.320 -0.010 0.000 0.294 456 A C -0.495 177.157 177.584 0.112 0.000 1.055 456 A CA -0.250 51.873 52.037 0.145 0.000 0.683 456 A CB 1.096 20.150 19.000 0.090 0.000 1.278 456 A HN 1.886 nan 8.150 nan 0.000 0.412 457 G N -0.688 108.167 108.800 0.092 0.000 2.692 457 G HA2 0.326 4.280 3.960 -0.010 0.000 0.686 457 G HA3 0.326 4.280 3.960 -0.010 0.000 0.686 457 G C -0.356 174.584 174.900 0.067 0.000 1.243 457 G CA -0.501 44.640 45.100 0.069 0.000 0.782 457 G HN 1.881 nan 8.290 nan 0.000 0.625 458 V N 2.072 122.018 119.914 0.053 0.000 2.617 458 V HA 0.374 4.489 4.120 -0.010 0.000 0.304 458 V C 2.045 178.171 176.094 0.054 0.000 1.040 458 V CA 2.306 64.637 62.300 0.051 0.000 1.149 458 V CB 0.559 32.406 31.823 0.039 0.000 0.914 458 V HN 2.848 nan 8.190 nan 0.000 0.487 459 G N 3.426 112.263 108.800 0.062 0.000 2.195 459 G HA2 -0.151 3.803 3.960 -0.010 0.000 0.246 459 G HA3 -0.151 3.803 3.960 -0.010 0.000 0.246 459 G C 0.561 175.501 174.900 0.068 0.000 0.984 459 G CA -0.035 45.102 45.100 0.060 0.000 0.633 459 G HN 1.389 nan 8.290 nan 0.000 0.525 460 G N -0.354 108.492 108.800 0.075 0.000 2.539 460 G HA2 0.776 4.730 3.960 -0.010 0.000 0.258 460 G HA3 0.776 4.730 3.960 -0.010 0.000 0.258 460 G C 0.640 175.540 174.900 0.001 0.000 1.202 460 G CA 1.036 46.198 45.100 0.103 0.000 0.851 460 G HN 1.896 nan 8.290 nan 0.000 0.556 461 G N -1.476 107.279 108.800 -0.075 0.000 2.347 461 G HA2 0.559 4.514 3.960 -0.010 0.000 0.341 461 G HA3 0.559 4.514 3.960 -0.010 0.000 0.341 461 G C -0.781 173.982 174.900 -0.227 0.000 1.287 461 G CA -0.015 44.763 45.100 -0.535 0.000 0.984 461 G HN 1.951 nan 8.290 nan 0.000 0.526 462 A N -0.935 121.783 122.820 -0.169 0.000 2.401 462 A HA 0.917 5.231 4.320 -0.010 0.000 0.310 462 A C -0.946 176.767 177.584 0.215 0.000 1.075 462 A CA -0.393 51.748 52.037 0.172 0.000 0.746 462 A CB 1.955 21.232 19.000 0.461 0.000 1.277 462 A HN 2.002 nan 8.150 nan 0.000 0.425 463 L N 1.398 122.762 121.223 0.234 0.000 2.372 463 L HA 0.616 4.950 4.340 -0.010 0.000 0.274 463 L C -1.783 175.305 176.870 0.362 0.000 0.988 463 L CA -0.421 54.579 54.840 0.267 0.000 0.833 463 L CB 1.165 43.267 42.059 0.072 0.000 1.236 463 L HN 0.796 nan 8.230 nan 0.000 0.410 464 W N 8.955 130.411 121.300 0.260 0.000 2.282 464 W HA 0.458 5.113 4.660 -0.009 0.000 0.322 464 W C -2.337 174.335 176.519 0.256 0.000 1.011 464 W CA -2.862 54.646 57.345 0.272 0.000 1.392 464 W CB 0.919 30.587 29.460 0.345 0.000 1.215 464 W HN 0.303 nan 8.180 nan 0.000 0.394 465 P HA 0.045 nan 4.420 nan 0.000 0.271 465 P C 0.035 177.313 177.300 -0.036 0.000 1.216 465 P CA 0.353 63.526 63.100 0.122 0.000 0.776 465 P CB 2.330 34.070 31.700 0.066 0.000 0.881 466 V N 2.673 122.519 119.914 -0.113 0.000 3.945 466 V HA -0.042 4.072 4.120 -0.010 0.000 0.196 466 V C 2.493 178.483 176.094 -0.174 0.000 1.110 466 V CA 1.431 63.595 62.300 -0.227 0.000 1.411 466 V CB -1.207 30.342 31.823 -0.456 0.000 1.707 466 V HN 0.613 nan 8.190 nan 0.000 0.477 467 S N -0.231 115.377 115.700 -0.154 0.000 2.447 467 S HA -0.199 4.266 4.470 -0.010 0.000 0.233 467 S C 1.635 176.199 174.600 -0.061 0.000 1.006 467 S CA 1.311 59.454 58.200 -0.095 0.000 0.957 467 S CB -0.500 62.651 63.200 -0.080 0.000 0.773 467 S HN 0.583 nan 8.310 nan 0.000 0.507 468 Q N 0.666 120.440 119.800 -0.044 0.000 2.437 468 Q HA -0.031 4.304 4.340 -0.010 0.000 0.210 468 Q C 1.978 177.963 176.000 -0.026 0.000 0.972 468 Q CA 0.748 56.538 55.803 -0.021 0.000 0.903 468 Q CB -0.259 28.479 28.738 -0.001 0.000 0.967 468 Q HN 0.755 nan 8.270 nan 0.000 0.486 469 Q N -0.527 119.241 119.800 -0.054 0.000 2.364 469 Q HA -0.086 4.249 4.340 -0.010 0.000 0.209 469 Q C 1.054 177.046 176.000 -0.014 0.000 0.977 469 Q CA 0.661 56.435 55.803 -0.048 0.000 0.885 469 Q CB 0.110 28.779 28.738 -0.115 0.000 0.941 469 Q HN 0.488 nan 8.270 nan 0.000 0.464 470 G N 0.708 109.494 108.800 -0.022 0.000 2.603 470 G HA2 -0.447 3.508 3.960 -0.010 0.000 0.245 470 G HA3 -0.447 3.508 3.960 -0.010 0.000 0.245 470 G C 0.400 175.300 174.900 -0.001 0.000 1.195 470 G CA 0.281 45.377 45.100 -0.007 0.000 0.953 470 G HN 0.351 nan 8.290 nan 0.000 0.566 471 Q N 0.746 120.568 119.800 0.037 0.000 2.084 471 Q HA -0.030 4.305 4.340 -0.010 0.000 0.202 471 Q C 0.777 176.791 176.000 0.023 0.000 0.978 471 Q CA 1.806 57.641 55.803 0.054 0.000 0.844 471 Q CB -0.190 28.628 28.738 0.134 0.000 0.898 471 Q HN 0.622 nan 8.270 nan 0.000 0.426 472 N N 0.976 119.698 118.700 0.036 0.000 2.476 472 N HA 0.202 4.936 4.740 -0.010 0.000 0.257 472 N C -1.680 173.727 175.510 -0.172 0.000 0.970 472 N CA -0.225 52.771 53.050 -0.090 0.000 0.938 472 N CB 1.598 40.106 38.487 0.035 0.000 1.144 472 N HN 0.096 nan 8.380 nan 0.000 0.500 473 Q N 1.811 121.441 119.800 -0.283 0.000 2.506 473 Q HA 0.251 4.585 4.340 -0.010 0.000 0.242 473 Q C 0.397 176.220 176.000 -0.294 0.000 1.060 473 Q CA -0.323 55.338 55.803 -0.236 0.000 0.826 473 Q CB 1.132 29.785 28.738 -0.141 0.000 1.169 473 Q HN 0.464 nan 8.270 nan 0.000 0.521 474 R N 0.525 120.844 120.500 -0.301 0.000 2.237 474 R HA -0.068 4.266 4.340 -0.010 0.000 0.219 474 R C 0.619 176.936 176.300 0.029 0.000 1.080 474 R CA 1.122 57.089 56.100 -0.221 0.000 0.995 474 R CB 0.288 30.487 30.300 -0.168 0.000 0.875 474 R HN 0.586 nan 8.270 nan 0.000 0.462 475 Y N -1.229 118.879 120.300 -0.320 0.000 2.658 475 Y HA 0.046 4.590 4.550 -0.010 0.000 0.276 475 Y C 1.478 176.892 175.900 -0.809 0.000 1.167 475 Y CA -0.592 57.081 58.100 -0.713 0.000 1.230 475 Y CB 0.217 38.295 38.460 -0.636 0.000 1.144 475 Y HN 0.189 nan 8.280 nan 0.000 0.529 476 H N 0.949 119.812 119.070 -0.345 0.000 2.422 476 H HA -0.252 4.298 4.556 -0.010 0.000 0.298 476 H C 1.918 177.143 175.328 -0.172 0.000 1.098 476 H CA 2.245 58.141 56.048 -0.254 0.000 1.315 476 H CB -0.372 29.276 29.762 -0.189 0.000 1.382 476 H HN 0.509 nan 8.280 nan 0.000 0.523 477 F N -0.770 119.210 119.950 0.050 0.000 2.236 477 F HA -0.164 4.358 4.527 -0.008 0.000 0.302 477 F C 2.362 178.204 175.800 0.071 0.000 1.073 477 F CA 0.771 58.810 58.000 0.065 0.000 1.336 477 F CB -0.907 38.095 39.000 0.003 0.000 1.040 477 F HN 0.189 nan 8.300 nan 0.000 0.507 478 A N 1.103 123.619 122.820 -0.508 0.000 2.067 478 A HA -0.155 4.159 4.320 -0.010 0.000 0.219 478 A C 1.919 179.511 177.584 0.013 0.000 1.158 478 A CA 1.423 53.375 52.037 -0.141 0.000 0.661 478 A CB -0.857 17.838 19.000 -0.509 0.000 0.801 478 A HN 0.546 nan 8.150 nan 0.000 0.452 479 N N -0.592 117.976 118.700 -0.220 0.000 2.512 479 N HA -0.088 4.646 4.740 -0.010 0.000 0.183 479 N C 1.030 176.310 175.510 -0.384 0.000 1.073 479 N CA 1.009 53.862 53.050 -0.328 0.000 0.911 479 N CB -0.225 37.921 38.487 -0.569 0.000 0.964 479 N HN 0.688 nan 8.380 nan 0.000 0.447 480 H N -0.715 118.375 119.070 0.034 0.000 2.501 480 H HA 0.466 5.017 4.556 -0.008 0.000 0.281 480 H C 0.361 175.742 175.328 0.089 0.000 0.988 480 H CA 0.439 56.524 56.048 0.061 0.000 1.232 480 H CB 1.088 30.890 29.762 0.066 0.000 1.455 480 H HN 0.059 nan 8.280 nan 0.000 0.501 481 A N 0.720 123.711 122.820 0.285 0.000 2.582 481 A HA 0.490 4.805 4.320 -0.010 0.000 0.297 481 A C -1.728 176.070 177.584 0.357 0.000 1.059 481 A CA -0.613 51.535 52.037 0.185 0.000 0.705 481 A CB 1.000 20.058 19.000 0.097 0.000 1.279 481 A HN 0.234 nan 8.150 nan 0.000 0.404 482 F N -1.217 118.811 119.950 0.130 0.000 2.713 482 F HA 0.874 5.395 4.527 -0.010 0.000 0.311 482 F C -0.782 175.051 175.800 0.056 0.000 1.141 482 F CA -0.660 57.427 58.000 0.145 0.000 0.939 482 F CB 1.352 40.481 39.000 0.215 0.000 1.325 482 F HN 0.439 nan 8.300 nan 0.000 0.453 483 T N 2.989 117.684 114.554 0.236 0.000 2.879 483 T HA 0.623 4.967 4.350 -0.010 0.000 0.290 483 T C -1.841 173.009 174.700 0.251 0.000 0.993 483 T CA -0.382 61.786 62.100 0.114 0.000 0.975 483 T CB 1.561 70.413 68.868 -0.028 0.000 0.981 483 T HN 0.779 nan 8.240 nan 0.000 0.439 484 L N 4.893 126.236 121.223 0.199 0.000 2.333 484 L HA 0.810 5.144 4.340 -0.010 0.000 0.280 484 L C -1.201 175.668 176.870 -0.001 0.000 1.004 484 L CA -0.497 54.361 54.840 0.030 0.000 0.820 484 L CB 1.378 43.372 42.059 -0.107 0.000 1.247 484 L HN 0.473 nan 8.230 nan 0.000 0.416 485 V N 4.006 123.918 119.914 -0.004 0.000 2.680 485 V HA 1.016 5.131 4.120 -0.010 0.000 0.309 485 V C -0.225 175.837 176.094 -0.054 0.000 1.052 485 V CA -0.185 62.080 62.300 -0.059 0.000 0.908 485 V CB 1.353 33.191 31.823 0.024 0.000 1.001 485 V HN 1.014 nan 8.190 nan 0.000 0.431 486 A N 2.471 125.216 122.820 -0.124 0.000 2.612 486 A HA 0.818 5.132 4.320 -0.010 0.000 0.293 486 A C -0.780 176.801 177.584 -0.006 0.000 1.075 486 A CA -0.544 51.483 52.037 -0.016 0.000 0.680 486 A CB 1.845 20.854 19.000 0.015 0.000 1.279 486 A HN 0.641 nan 8.150 nan 0.000 0.411 487 S N 0.095 115.871 115.700 0.127 0.000 2.462 487 S HA 0.679 5.144 4.470 -0.010 0.000 0.294 487 S C -0.105 174.586 174.600 0.151 0.000 1.144 487 S CA -0.196 58.110 58.200 0.177 0.000 1.088 487 S CB 1.151 64.485 63.200 0.223 0.000 1.009 487 S HN 1.810 nan 8.310 nan 0.000 0.484 488 V N 0.888 120.888 119.914 0.144 0.000 2.962 488 V HA 0.914 5.028 4.120 -0.010 0.000 0.313 488 V C -0.668 175.485 176.094 0.098 0.000 1.099 488 V CA -0.532 61.833 62.300 0.108 0.000 0.971 488 V CB 2.026 33.888 31.823 0.065 0.000 1.028 488 V HN 0.692 nan 8.190 nan 0.000 0.430 489 T N 4.552 119.090 114.554 -0.027 0.000 2.928 489 T HA 0.639 4.983 4.350 -0.010 0.000 0.296 489 T C -0.568 173.857 174.700 -0.458 0.000 1.000 489 T CA -0.130 61.880 62.100 -0.149 0.000 0.989 489 T CB 1.275 70.062 68.868 -0.135 0.000 1.005 489 T HN 0.712 nan 8.240 nan 0.000 0.442 490 I N 3.322 123.620 120.570 -0.453 0.000 2.331 490 I HA 0.302 4.466 4.170 -0.010 0.000 0.292 490 I C 0.974 176.857 176.117 -0.390 0.000 0.998 490 I CA -0.644 60.299 61.300 -0.596 0.000 1.267 490 I CB 1.038 38.460 38.000 -0.963 0.000 1.386 490 I HN 0.754 nan 8.210 nan 0.000 0.476 491 H N 4.277 123.334 119.070 -0.023 0.000 2.654 491 H HA 0.349 4.899 4.556 -0.010 0.000 0.264 491 H C -0.234 175.148 175.328 0.090 0.000 0.954 491 H CA 0.335 56.413 56.048 0.049 0.000 1.199 491 H CB 0.715 30.501 29.762 0.039 0.000 1.446 491 H HN 0.553 nan 8.280 nan 0.000 0.516 492 E N 0.807 121.124 120.200 0.196 0.000 2.343 492 E HA 0.287 4.631 4.350 -0.010 0.000 0.278 492 E C -0.816 175.933 176.600 0.247 0.000 0.910 492 E CA -0.697 55.824 56.400 0.201 0.000 0.757 492 E CB 3.576 33.378 29.700 0.169 0.000 1.218 492 E HN -0.192 nan 8.360 nan 0.000 0.435 493 V N 3.711 123.762 119.914 0.229 0.000 2.572 493 V HA 0.143 4.257 4.120 -0.010 0.000 0.291 493 V C -1.671 174.524 176.094 0.169 0.000 1.039 493 V CA -0.885 61.544 62.300 0.215 0.000 1.055 493 V CB 0.090 31.938 31.823 0.042 0.000 0.969 493 V HN 0.558 nan 8.190 nan 0.000 0.482 494 P HA 0.325 nan 4.420 nan 0.000 0.278 494 P C 0.218 177.529 177.300 0.018 0.000 1.258 494 P CA -0.658 62.479 63.100 0.061 0.000 0.811 494 P CB 1.281 32.930 31.700 -0.086 0.000 1.063 495 K N -0.083 120.319 120.400 0.003 0.000 2.217 495 K HA 0.060 4.374 4.320 -0.010 0.000 0.202 495 K C 1.433 178.024 176.600 -0.014 0.000 1.051 495 K CA 1.444 57.731 56.287 0.001 0.000 0.952 495 K CB -0.164 32.339 32.500 0.004 0.000 0.736 495 K HN 0.654 nan 8.250 nan 0.000 0.453 496 G N 0.228 109.005 108.800 -0.037 0.000 3.324 496 G HA2 0.528 4.482 3.960 -0.010 0.000 0.188 496 G HA3 0.528 4.482 3.960 -0.010 0.000 0.188 496 G C -1.446 173.406 174.900 -0.079 0.000 1.384 496 G CA -0.019 45.056 45.100 -0.042 0.000 0.841 496 G HN 0.179 nan 8.290 nan 0.000 0.758 497 A N -0.140 122.622 122.820 -0.096 0.000 2.318 497 A HA 0.794 5.108 4.320 -0.010 0.000 0.317 497 A C -0.509 176.933 177.584 -0.236 0.000 1.159 497 A CA -0.253 51.693 52.037 -0.153 0.000 0.799 497 A CB 1.444 20.404 19.000 -0.067 0.000 1.194 497 A HN 0.604 nan 8.150 nan 0.000 0.479 498 S N 3.344 118.742 115.700 -0.503 0.000 2.513 498 S HA 0.747 5.211 4.470 -0.010 0.000 0.299 498 S C -2.852 171.478 174.600 -0.451 0.000 1.087 498 S CA -1.127 56.760 58.200 -0.521 0.000 1.012 498 S CB 1.961 64.766 63.200 -0.658 0.000 1.044 498 S HN 0.671 nan 8.310 nan 0.000 0.485 499 P HA 0.282 nan 4.420 nan 0.000 0.275 499 P C -0.173 177.164 177.300 0.061 0.000 1.228 499 P CA -0.347 62.637 63.100 -0.194 0.000 0.786 499 P CB 1.141 32.388 31.700 -0.756 0.000 0.927 500 L N 1.499 122.831 121.223 0.181 0.000 2.600 500 L HA 0.338 4.672 4.340 -0.010 0.000 0.213 500 L C 0.276 177.183 176.870 0.063 0.000 1.045 500 L CA 0.281 55.213 54.840 0.153 0.000 0.863 500 L CB 0.436 42.590 42.059 0.157 0.000 1.189 500 L HN 0.271 nan 8.230 nan 0.000 0.484 501 L N -0.710 120.514 121.223 0.002 0.000 2.592 501 L HA 0.722 5.057 4.340 -0.010 0.000 0.258 501 L C -1.019 175.565 176.870 -0.476 0.000 0.926 501 L CA 0.055 54.765 54.840 -0.217 0.000 0.885 501 L CB 1.935 43.922 42.059 -0.119 0.000 1.380 501 L HN 0.011 nan 8.230 nan 0.000 0.415 502 G N 2.239 110.464 108.800 -0.958 0.000 2.451 502 G HA2 0.701 4.655 3.960 -0.010 0.000 0.292 502 G HA3 0.701 4.655 3.960 -0.010 0.000 0.292 502 G C -2.096 172.531 174.900 -0.456 0.000 1.427 502 G CA -0.151 44.516 45.100 -0.722 0.000 0.792 502 G HN 0.935 nan 8.290 nan 0.000 0.498 503 A N 0.061 122.845 122.820 -0.059 0.000 2.258 503 A HA 0.800 5.114 4.320 -0.010 0.000 0.316 503 A C 0.193 177.743 177.584 -0.056 0.000 1.279 503 A CA -0.014 51.964 52.037 -0.099 0.000 0.876 503 A CB 1.250 20.195 19.000 -0.093 0.000 1.170 503 A HN 1.562 nan 8.150 nan 0.000 0.520 504 S N 2.069 117.653 115.700 -0.194 0.000 2.508 504 S HA 0.494 4.958 4.470 -0.010 0.000 0.284 504 S C 0.853 175.305 174.600 -0.247 0.000 1.192 504 S CA -0.660 57.430 58.200 -0.183 0.000 1.070 504 S CB 0.417 63.374 63.200 -0.405 0.000 1.004 504 S HN 0.590 nan 8.310 nan 0.000 0.493 505 L N 2.721 123.863 121.223 -0.135 0.000 2.375 505 L HA 0.207 4.541 4.340 -0.010 0.000 0.215 505 L C 0.872 177.688 176.870 -0.089 0.000 1.108 505 L CA 0.305 55.074 54.840 -0.118 0.000 0.830 505 L CB -0.131 41.882 42.059 -0.076 0.000 0.959 505 L HN 0.696 nan 8.230 nan 0.000 0.457 506 D N -2.085 118.274 120.400 -0.068 0.000 2.553 506 D HA 0.088 4.722 4.640 -0.010 0.000 0.249 506 D C 0.868 177.206 176.300 0.063 0.000 1.062 506 D CA 0.151 54.138 54.000 -0.022 0.000 1.085 506 D CB 1.190 41.968 40.800 -0.035 0.000 1.350 506 D HN -0.104 nan 8.370 nan 0.000 0.575 507 S N -0.439 115.300 115.700 0.065 0.000 2.423 507 S HA -0.173 4.291 4.470 -0.010 0.000 0.231 507 S C 1.884 176.546 174.600 0.104 0.000 1.014 507 S CA 1.460 59.724 58.200 0.107 0.000 0.965 507 S CB -0.764 62.443 63.200 0.012 0.000 0.785 507 S HN 0.592 nan 8.310 nan 0.000 0.495 508 S N 1.084 116.786 115.700 0.003 0.000 2.395 508 S HA 0.353 4.817 4.470 -0.010 0.000 0.225 508 S C 1.882 176.365 174.600 -0.196 0.000 1.027 508 S CA 0.937 59.073 58.200 -0.106 0.000 0.965 508 S CB -0.945 62.156 63.200 -0.166 0.000 0.812 508 S HN 1.535 nan 8.310 nan 0.000 0.482 509 G N 0.044 108.759 108.800 -0.142 0.000 2.179 509 G HA2 -0.152 3.802 3.960 -0.010 0.000 0.220 509 G HA3 -0.152 3.802 3.960 -0.010 0.000 0.220 509 G C 0.931 175.611 174.900 -0.366 0.000 0.990 509 G CA 0.163 45.104 45.100 -0.266 0.000 0.646 509 G HN 1.026 nan 8.290 nan 0.000 0.517 510 G N -0.175 108.426 108.800 -0.331 0.000 2.448 510 G HA2 0.177 4.132 3.960 -0.010 0.000 0.218 510 G HA3 0.177 4.132 3.960 -0.010 0.000 0.218 510 G C 0.785 175.616 174.900 -0.115 0.000 1.135 510 G CA 0.929 45.885 45.100 -0.241 0.000 0.784 510 G HN 0.374 nan 8.290 nan 0.000 0.543 511 K N 1.523 121.870 120.400 -0.089 0.000 2.347 511 K HA 0.373 4.687 4.320 -0.010 0.000 0.262 511 K C -0.418 176.167 176.600 -0.025 0.000 1.052 511 K CA -0.105 56.154 56.287 -0.047 0.000 0.946 511 K CB 1.422 33.893 32.500 -0.047 0.000 1.220 511 K HN 0.205 nan 8.250 nan 0.000 0.450 512 K N 2.246 122.654 120.400 0.013 0.000 2.138 512 K HA 0.250 4.564 4.320 -0.010 0.000 0.263 512 K C 0.997 177.625 176.600 0.047 0.000 0.965 512 K CA -0.655 55.668 56.287 0.060 0.000 0.868 512 K CB 1.769 34.342 32.500 0.122 0.000 1.083 512 K HN 0.149 nan 8.250 nan 0.000 0.443 513 L N 2.773 124.026 121.223 0.050 0.000 2.102 513 L HA 0.241 4.575 4.340 -0.010 0.000 0.202 513 L C -0.394 176.538 176.870 0.103 0.000 1.076 513 L CA 1.366 56.244 54.840 0.063 0.000 0.761 513 L CB 0.253 42.346 42.059 0.058 0.000 0.921 513 L HN 0.568 nan 8.230 nan 0.000 0.444 514 L N -0.585 120.712 121.223 0.124 0.000 2.611 514 L HA 0.721 5.055 4.340 -0.010 0.000 0.260 514 L C -0.747 176.169 176.870 0.075 0.000 0.924 514 L CA 0.466 55.365 54.840 0.097 0.000 0.901 514 L CB 1.411 43.573 42.059 0.172 0.000 1.369 514 L HN 0.133 nan 8.230 nan 0.000 0.415 515 G N 2.900 111.693 108.800 -0.012 0.000 2.608 515 G HA2 0.619 4.573 3.960 -0.010 0.000 0.291 515 G HA3 0.619 4.573 3.960 -0.010 0.000 0.291 515 G C -2.626 172.243 174.900 -0.052 0.000 1.425 515 G CA -0.655 44.455 45.100 0.015 0.000 0.787 515 G HN 0.802 nan 8.290 nan 0.000 0.484 516 L N 0.410 121.631 121.223 -0.004 0.000 2.409 516 L HA 0.848 5.183 4.340 -0.010 0.000 0.272 516 L C -0.214 176.724 176.870 0.114 0.000 0.980 516 L CA -0.213 54.626 54.840 -0.001 0.000 0.826 516 L CB 1.949 43.958 42.059 -0.083 0.000 1.268 516 L HN 0.563 nan 8.230 nan 0.000 0.407 517 S N 2.567 118.355 115.700 0.148 0.000 2.751 517 S HA 0.814 5.279 4.470 -0.010 0.000 0.310 517 S C -1.543 173.235 174.600 0.297 0.000 1.128 517 S CA -0.325 57.968 58.200 0.156 0.000 0.931 517 S CB 1.627 64.846 63.200 0.032 0.000 1.177 517 S HN 0.592 nan 8.310 nan 0.000 0.530 518 Y N -0.341 120.000 120.300 0.069 0.000 2.562 518 Y HA 0.796 5.340 4.550 -0.010 0.000 0.345 518 Y C -1.060 174.907 175.900 0.113 0.000 1.045 518 Y CA -1.234 56.896 58.100 0.050 0.000 1.028 518 Y CB 0.886 39.113 38.460 -0.389 0.000 1.297 518 Y HN 0.664 nan 8.280 nan 0.000 0.463 519 D N 0.257 120.823 120.400 0.277 0.000 2.585 519 D HA 0.248 4.882 4.640 -0.010 0.000 0.254 519 D C 0.247 176.609 176.300 0.103 0.000 1.067 519 D CA -1.033 53.024 54.000 0.095 0.000 1.090 519 D CB 1.423 42.251 40.800 0.048 0.000 1.408 519 D HN 0.718 nan 8.370 nan 0.000 0.554 520 K N -0.614 119.787 120.400 0.001 0.000 2.362 520 K HA -0.008 4.306 4.320 -0.010 0.000 0.200 520 K C 0.926 177.467 176.600 -0.098 0.000 1.046 520 K CA 0.653 56.911 56.287 -0.047 0.000 0.952 520 K CB -0.091 32.396 32.500 -0.021 0.000 0.753 520 K HN 0.220 nan 8.250 nan 0.000 0.466 521 R N 0.341 120.796 120.500 -0.074 0.000 2.426 521 R HA 0.117 4.451 4.340 -0.010 0.000 0.263 521 R C -0.648 175.574 176.300 -0.130 0.000 0.961 521 R CA -0.114 55.954 56.100 -0.054 0.000 1.086 521 R CB -0.336 29.945 30.300 -0.030 0.000 1.186 521 R HN 0.365 nan 8.270 nan 0.000 0.537 522 H N -0.476 118.317 119.070 -0.462 0.000 2.862 522 H HA -0.182 4.368 4.556 -0.010 0.000 0.290 522 H C -0.512 174.205 175.328 -1.019 0.000 1.211 522 H CA 0.786 56.106 56.048 -1.215 0.000 1.140 522 H CB -1.245 27.868 29.762 -1.083 0.000 1.341 522 H HN 0.345 nan 8.280 nan 0.000 0.392 523 Q N -0.767 118.871 119.800 -0.271 0.000 2.297 523 Q HA 0.326 4.660 4.340 -0.010 0.000 0.268 523 Q C -0.151 175.961 176.000 0.186 0.000 1.045 523 Q CA -0.918 54.840 55.803 -0.075 0.000 0.861 523 Q CB 1.602 30.348 28.738 0.015 0.000 1.344 523 Q HN 0.305 nan 8.270 nan 0.000 0.452 524 W N 1.053 122.533 121.300 0.301 0.000 2.251 524 W HA 0.232 4.887 4.660 -0.008 0.000 0.329 524 W C 0.229 176.819 176.519 0.118 0.000 1.234 524 W CA -0.321 57.147 57.345 0.205 0.000 1.228 524 W CB 0.816 30.334 29.460 0.096 0.000 1.135 524 W HN 0.289 nan 8.180 nan 0.000 0.576 525 Q N 3.949 123.965 119.800 0.360 0.000 2.674 525 Q HA 0.204 4.539 4.340 -0.010 0.000 0.249 525 Q C -2.307 173.743 176.000 0.083 0.000 1.011 525 Q CA -1.912 54.000 55.803 0.181 0.000 0.734 525 Q CB 1.468 30.279 28.738 0.121 0.000 1.201 525 Q HN 0.024 nan 8.270 nan 0.000 0.498 526 P HA 0.189 nan 4.420 nan 0.000 0.276 526 P C -0.528 176.534 177.300 -0.397 0.000 1.230 526 P CA 0.002 62.950 63.100 -0.252 0.000 0.776 526 P CB 1.100 32.628 31.700 -0.286 0.000 0.888 527 I N 3.970 124.264 120.570 -0.460 0.000 2.382 527 I HA 0.274 4.438 4.170 -0.010 0.000 0.286 527 I C -0.379 175.504 176.117 -0.389 0.000 1.002 527 I CA -0.824 60.299 61.300 -0.295 0.000 1.135 527 I CB 1.028 38.988 38.000 -0.067 0.000 1.288 527 I HN 0.256 nan 8.210 nan 0.000 0.448 528 Y N 5.273 125.594 120.300 0.035 0.000 2.593 528 Y HA 0.557 5.101 4.550 -0.010 0.000 0.331 528 Y C 1.188 177.101 175.900 0.022 0.000 0.986 528 Y CA -0.290 57.823 58.100 0.022 0.000 1.262 528 Y CB 1.027 39.488 38.460 0.001 0.000 1.098 528 Y HN 0.889 nan 8.280 nan 0.000 0.506 529 G N 1.419 110.294 108.800 0.126 0.000 2.611 529 G HA2 -0.347 3.607 3.960 -0.010 0.000 0.301 529 G HA3 -0.347 3.607 3.960 -0.010 0.000 0.301 529 G C 0.968 175.907 174.900 0.065 0.000 1.233 529 G CA 0.536 45.686 45.100 0.083 0.000 0.993 529 G HN 0.484 nan 8.290 nan 0.000 0.553 530 S N 1.031 116.763 115.700 0.053 0.000 2.572 530 S HA 0.367 4.831 4.470 -0.010 0.000 0.228 530 S C 0.868 175.497 174.600 0.048 0.000 0.963 530 S CA 0.832 59.055 58.200 0.040 0.000 0.939 530 S CB 0.140 63.353 63.200 0.022 0.000 0.804 530 S HN 0.782 nan 8.310 nan 0.000 0.480 531 T N 4.883 119.481 114.554 0.074 0.000 2.928 531 T HA 0.147 4.492 4.350 -0.010 0.000 0.305 531 T C -2.336 172.411 174.700 0.078 0.000 1.035 531 T CA -0.633 61.514 62.100 0.079 0.000 1.145 531 T CB 0.253 69.192 68.868 0.119 0.000 0.963 531 T HN 0.090 nan 8.240 nan 0.000 0.545 532 P HA 0.059 nan 4.420 nan 0.000 0.263 532 P C -0.628 176.717 177.300 0.076 0.000 1.175 532 P CA -0.156 62.976 63.100 0.053 0.000 0.761 532 P CB 0.298 32.022 31.700 0.040 0.000 0.794 533 V N 3.932 123.886 119.914 0.067 0.000 2.530 533 V HA 0.176 4.290 4.120 -0.010 0.000 0.282 533 V C 0.614 176.755 176.094 0.080 0.000 1.048 533 V CA 0.382 62.729 62.300 0.079 0.000 0.997 533 V CB 0.985 32.842 31.823 0.057 0.000 0.987 533 V HN 0.521 nan 8.190 nan 0.000 0.477 534 T N 7.448 122.065 114.554 0.105 0.000 2.809 534 T HA 0.388 4.732 4.350 -0.010 0.000 0.296 534 T C -2.517 172.247 174.700 0.106 0.000 1.015 534 T CA -1.036 61.120 62.100 0.093 0.000 0.954 534 T CB 1.472 70.394 68.868 0.091 0.000 0.950 534 T HN 0.443 nan 8.240 nan 0.000 0.450 535 P HA 0.364 nan 4.420 nan 0.000 0.269 535 P C -0.233 177.138 177.300 0.117 0.000 1.209 535 P CA -0.074 63.093 63.100 0.111 0.000 0.776 535 P CB 0.652 32.400 31.700 0.080 0.000 0.876 536 T N 0.313 114.963 114.554 0.161 0.000 2.802 536 T HA 0.582 4.926 4.350 -0.010 0.000 0.311 536 T C -0.194 174.634 174.700 0.213 0.000 1.405 536 T CA 0.486 62.679 62.100 0.156 0.000 1.016 536 T CB 0.646 69.604 68.868 0.150 0.000 1.352 536 T HN 0.743 nan 8.240 nan 0.000 0.498 537 G N 1.950 110.852 108.800 0.170 0.000 2.641 537 G HA2 0.170 4.124 3.960 -0.010 0.000 0.254 537 G HA3 0.170 4.124 3.960 -0.010 0.000 0.254 537 G C -0.162 174.789 174.900 0.085 0.000 1.315 537 G CA 0.451 45.672 45.100 0.202 0.000 0.907 537 G HN 2.211 nan 8.290 nan 0.000 0.572 538 S N -0.621 115.113 115.700 0.057 0.000 2.537 538 S HA 0.779 5.243 4.470 -0.010 0.000 0.271 538 S C -0.805 173.707 174.600 -0.146 0.000 1.148 538 S CA 0.203 58.308 58.200 -0.157 0.000 0.868 538 S CB 1.846 64.979 63.200 -0.113 0.000 1.115 538 S HN 2.278 nan 8.310 nan 0.000 0.461 539 W N 1.390 122.472 121.300 -0.362 0.000 3.029 539 W HA 0.793 5.447 4.660 -0.010 0.000 0.339 539 W C -1.278 175.244 176.519 0.004 0.000 1.198 539 W CA -0.775 56.378 57.345 -0.321 0.000 1.148 539 W CB 0.901 29.699 29.460 -1.103 0.000 1.451 539 W HN 1.001 nan 8.180 nan 0.000 0.564 540 E N 1.583 122.132 120.200 0.582 0.000 2.256 540 E HA 0.508 4.852 4.350 -0.010 0.000 0.267 540 E C -0.625 176.350 176.600 0.626 0.000 0.892 540 E CA -1.105 55.550 56.400 0.425 0.000 0.775 540 E CB 2.671 32.494 29.700 0.206 0.000 1.207 540 E HN 0.388 nan 8.360 nan 0.000 0.420 541 M N 1.443 121.358 119.600 0.526 0.000 2.250 541 M HA 0.118 4.592 4.480 -0.010 0.000 0.337 541 M C 1.102 177.553 176.300 0.252 0.000 1.161 541 M CA 2.011 57.558 55.300 0.411 0.000 1.088 541 M CB 0.298 33.103 32.600 0.341 0.000 1.639 541 M HN 1.098 nan 8.290 nan 0.000 0.447 542 G N 2.167 111.072 108.800 0.175 0.000 2.179 542 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.260 542 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.260 542 G C 0.076 175.030 174.900 0.091 0.000 0.977 542 G CA 0.535 45.719 45.100 0.140 0.000 0.641 542 G HN 0.639 nan 8.290 nan 0.000 0.533 543 K N 0.673 121.129 120.400 0.094 0.000 2.156 543 K HA 0.523 4.837 4.320 -0.010 0.000 0.271 543 K C 0.651 177.149 176.600 -0.169 0.000 0.995 543 K CA -0.996 55.259 56.287 -0.054 0.000 0.890 543 K CB 0.550 32.990 32.500 -0.100 0.000 1.073 543 K HN 0.134 nan 8.250 nan 0.000 0.454 544 R N 3.935 124.324 120.500 -0.184 0.000 2.390 544 R HA 0.147 4.481 4.340 -0.010 0.000 0.291 544 R C -1.404 174.756 176.300 -0.234 0.000 1.070 544 R CA 0.129 56.172 56.100 -0.095 0.000 1.014 544 R CB 0.319 30.623 30.300 0.007 0.000 1.007 544 R HN 0.604 nan 8.270 nan 0.000 0.466 545 Y N 1.361 121.770 120.300 0.181 0.000 2.485 545 Y HA 0.243 4.787 4.550 -0.010 0.000 0.345 545 Y C -0.165 175.847 175.900 0.187 0.000 0.998 545 Y CA -0.887 57.338 58.100 0.208 0.000 1.059 545 Y CB 1.631 40.228 38.460 0.229 0.000 1.234 545 Y HN 0.648 nan 8.280 nan 0.000 0.461 546 H N 1.366 120.589 119.070 0.254 0.000 2.517 546 H HA 0.667 5.217 4.556 -0.010 0.000 0.317 546 H C -1.458 173.891 175.328 0.034 0.000 1.080 546 H CA -0.519 55.631 56.048 0.170 0.000 1.301 546 H CB 0.766 30.701 29.762 0.289 0.000 1.425 546 H HN 0.412 nan 8.280 nan 0.000 0.471 547 V N 6.405 126.101 119.914 -0.364 0.000 2.495 547 V HA 0.407 4.521 4.120 -0.010 0.000 0.298 547 V C -0.690 175.196 176.094 -0.348 0.000 1.031 547 V CA -0.791 61.320 62.300 -0.314 0.000 0.871 547 V CB 1.730 33.408 31.823 -0.241 0.000 0.988 547 V HN 0.598 nan 8.190 nan 0.000 0.432 548 V N 6.044 125.847 119.914 -0.186 0.000 2.577 548 V HA 0.521 4.635 4.120 -0.010 0.000 0.303 548 V C -0.567 175.540 176.094 0.021 0.000 1.042 548 V CA -0.489 61.749 62.300 -0.102 0.000 0.872 548 V CB 1.947 33.695 31.823 -0.126 0.000 0.998 548 V HN 0.659 nan 8.190 nan 0.000 0.423 549 L N 4.714 125.946 121.223 0.013 0.000 2.313 549 L HA 0.786 5.120 4.340 -0.010 0.000 0.283 549 L C 0.171 177.019 176.870 -0.036 0.000 1.013 549 L CA -0.343 54.522 54.840 0.042 0.000 0.816 549 L CB 2.122 44.245 42.059 0.108 0.000 1.236 549 L HN 0.794 nan 8.230 nan 0.000 0.419 550 T N 0.728 115.230 114.554 -0.086 0.000 2.887 550 T HA 0.724 5.068 4.350 -0.010 0.000 0.288 550 T C -0.543 173.919 174.700 -0.396 0.000 1.021 550 T CA -0.747 61.199 62.100 -0.257 0.000 1.000 550 T CB 2.468 71.284 68.868 -0.087 0.000 1.034 550 T HN 0.450 nan 8.240 nan 0.000 0.467 551 M N 2.394 121.612 119.600 -0.637 0.000 2.224 551 M HA 0.698 5.172 4.480 -0.010 0.000 0.281 551 M C -1.928 174.207 176.300 -0.275 0.000 1.025 551 M CA -0.407 54.613 55.300 -0.466 0.000 0.954 551 M CB 1.413 33.623 32.600 -0.650 0.000 1.639 551 M HN 1.220 nan 8.290 nan 0.000 0.461 552 A N 3.984 126.725 122.820 -0.132 0.000 2.589 552 A HA 0.640 4.955 4.320 -0.010 0.000 0.296 552 A C -0.218 177.346 177.584 -0.033 0.000 1.062 552 A CA -0.500 51.501 52.037 -0.060 0.000 0.686 552 A CB 1.041 20.008 19.000 -0.055 0.000 1.282 552 A HN 0.918 nan 8.150 nan 0.000 0.404 553 N N 1.123 119.821 118.700 -0.004 0.000 2.721 553 N HA -0.197 4.537 4.740 -0.010 0.000 0.249 553 N C -0.042 175.462 175.510 -0.009 0.000 1.072 553 N CA 1.441 54.492 53.050 0.001 0.000 0.710 553 N CB -1.025 37.459 38.487 -0.004 0.000 0.993 553 N HN 0.917 nan 8.380 nan 0.000 0.547 554 K N -2.343 118.050 120.400 -0.013 0.000 3.341 554 K HA -0.197 4.118 4.320 -0.010 0.000 0.305 554 K C -0.153 176.437 176.600 -0.018 0.000 1.270 554 K CA 1.161 57.439 56.287 -0.015 0.000 0.897 554 K CB -1.179 31.314 32.500 -0.011 0.000 1.264 554 K HN 0.487 nan 8.250 nan 0.000 0.468 555 I N 0.419 120.971 120.570 -0.030 0.000 2.474 555 I HA 0.381 4.545 4.170 -0.010 0.000 0.294 555 I C 0.717 176.813 176.117 -0.035 0.000 1.005 555 I CA -0.734 60.545 61.300 -0.035 0.000 1.113 555 I CB 2.018 39.990 38.000 -0.047 0.000 1.289 555 I HN 0.097 nan 8.210 nan 0.000 0.436 556 G N 3.165 111.970 108.800 0.007 0.000 2.420 556 G HA2 0.723 4.677 3.960 -0.010 0.000 0.331 556 G HA3 0.723 4.677 3.960 -0.010 0.000 0.331 556 G C -1.108 173.852 174.900 0.099 0.000 1.168 556 G CA -0.321 44.817 45.100 0.063 0.000 0.936 556 G HN 0.518 nan 8.290 nan 0.000 0.479 557 S N -0.998 114.759 115.700 0.095 0.000 2.569 557 S HA 0.700 5.164 4.470 -0.010 0.000 0.280 557 S C -0.890 173.753 174.600 0.071 0.000 1.111 557 S CA -0.536 57.705 58.200 0.069 0.000 0.887 557 S CB 2.202 65.377 63.200 -0.042 0.000 1.095 557 S HN 0.576 nan 8.310 nan 0.000 0.476 558 V N 2.621 122.514 119.914 -0.035 0.000 2.577 558 V HA 0.507 4.621 4.120 -0.010 0.000 0.303 558 V C -1.755 174.195 176.094 -0.239 0.000 1.042 558 V CA -0.628 61.628 62.300 -0.074 0.000 0.872 558 V CB 1.226 32.980 31.823 -0.116 0.000 0.998 558 V HN 0.867 nan 8.190 nan 0.000 0.423 559 Y N 4.332 124.548 120.300 -0.140 0.000 2.429 559 Y HA 0.666 5.210 4.550 -0.010 0.000 0.342 559 Y C -0.033 175.721 175.900 -0.245 0.000 1.004 559 Y CA -1.120 56.885 58.100 -0.158 0.000 1.075 559 Y CB 1.832 40.221 38.460 -0.117 0.000 1.214 559 Y HN 0.333 nan 8.280 nan 0.000 0.455 560 I N 3.233 123.728 120.570 -0.126 0.000 2.436 560 I HA 0.189 4.353 4.170 -0.010 0.000 0.289 560 I C -0.479 175.559 176.117 -0.131 0.000 1.010 560 I CA -0.868 60.303 61.300 -0.214 0.000 1.098 560 I CB 1.492 39.242 38.000 -0.417 0.000 1.266 560 I HN 0.741 nan 8.210 nan 0.000 0.434 561 D N 5.262 125.570 120.400 -0.153 0.000 2.708 561 D HA -0.187 4.447 4.640 -0.010 0.000 0.236 561 D C 1.251 176.910 176.300 -1.069 0.000 1.146 561 D CA 1.607 55.187 54.000 -0.700 0.000 0.662 561 D CB -0.983 39.602 40.800 -0.359 0.000 1.059 561 D HN 1.135 nan 8.370 nan 0.000 0.428 562 G N -1.141 107.377 108.800 -0.470 0.000 2.179 562 G HA2 -0.320 3.634 3.960 -0.010 0.000 0.260 562 G HA3 -0.320 3.634 3.960 -0.010 0.000 0.260 562 G C -0.052 174.862 174.900 0.024 0.000 0.977 562 G CA 0.475 45.441 45.100 -0.222 0.000 0.641 562 G HN 0.392 nan 8.290 nan 0.000 0.533 563 E N 1.032 121.259 120.200 0.044 0.000 2.187 563 E HA 0.427 4.771 4.350 -0.010 0.000 0.268 563 E C -2.532 174.078 176.600 0.016 0.000 0.896 563 E CA -2.062 54.390 56.400 0.086 0.000 0.766 563 E CB 2.415 32.114 29.700 -0.002 0.000 1.142 563 E HN 0.208 nan 8.360 nan 0.000 0.408 564 P HA 0.138 nan 4.420 nan 0.000 0.271 564 P C -0.027 177.103 177.300 -0.282 0.000 1.216 564 P CA -0.084 62.646 63.100 -0.617 0.000 0.771 564 P CB 0.893 32.222 31.700 -0.618 0.000 0.864 565 L N 1.623 122.700 121.223 -0.244 0.000 2.439 565 L HA 0.253 4.587 4.340 -0.010 0.000 0.261 565 L C 1.368 178.217 176.870 -0.035 0.000 1.153 565 L CA -0.706 54.083 54.840 -0.085 0.000 0.808 565 L CB 0.191 42.224 42.059 -0.044 0.000 1.126 565 L HN 0.453 nan 8.230 nan 0.000 0.460 566 E N 0.570 120.780 120.200 0.018 0.000 2.502 566 E HA 0.052 4.396 4.350 -0.010 0.000 0.261 566 E C 0.907 177.536 176.600 0.047 0.000 0.974 566 E CA 0.965 57.377 56.400 0.019 0.000 0.936 566 E CB 0.281 30.010 29.700 0.049 0.000 0.926 566 E HN 0.757 nan 8.360 nan 0.000 0.459 567 G N 2.991 111.745 108.800 -0.077 0.000 2.234 567 G HA2 -0.274 3.680 3.960 -0.010 0.000 0.235 567 G HA3 -0.274 3.680 3.960 -0.010 0.000 0.235 567 G C 0.308 174.771 174.900 -0.730 0.000 0.997 567 G CA 0.150 45.089 45.100 -0.269 0.000 0.623 567 G HN 0.611 nan 8.290 nan 0.000 0.514 568 S N 0.343 115.808 115.700 -0.393 0.000 2.568 568 S HA 0.452 4.916 4.470 -0.010 0.000 0.282 568 S C 1.468 175.858 174.600 -0.349 0.000 1.338 568 S CA 1.520 59.496 58.200 -0.374 0.000 1.045 568 S CB 0.975 64.028 63.200 -0.244 0.000 0.873 568 S HN 2.156 nan 8.310 nan 0.000 0.516 569 G N 1.126 109.757 108.800 -0.281 0.000 2.132 569 G HA2 -0.200 3.755 3.960 -0.010 0.000 0.228 569 G HA3 -0.200 3.755 3.960 -0.010 0.000 0.228 569 G C -0.301 174.467 174.900 -0.219 0.000 1.000 569 G CA 0.178 45.160 45.100 -0.197 0.000 0.693 569 G HN 0.655 nan 8.290 nan 0.000 0.515 570 Q N 0.605 120.216 119.800 -0.316 0.000 2.235 570 Q HA 0.693 5.027 4.340 -0.010 0.000 0.256 570 Q C 0.503 176.439 176.000 -0.108 0.000 0.951 570 Q CA -0.139 55.512 55.803 -0.253 0.000 0.890 570 Q CB 0.924 29.408 28.738 -0.423 0.000 1.279 570 Q HN 0.162 nan 8.270 nan 0.000 0.444 571 T N 2.945 117.461 114.554 -0.063 0.000 2.853 571 T HA 0.215 4.560 4.350 -0.010 0.000 0.298 571 T C 0.753 175.463 174.700 0.017 0.000 0.978 571 T CA 0.377 62.464 62.100 -0.021 0.000 1.152 571 T CB 0.295 69.151 68.868 -0.020 0.000 0.914 571 T HN 0.564 nan 8.240 nan 0.000 0.539 572 V N 1.560 121.492 119.914 0.030 0.000 3.605 572 V HA 0.417 4.531 4.120 -0.010 0.000 0.284 572 V C 0.172 176.284 176.094 0.029 0.000 1.386 572 V CA -0.156 62.178 62.300 0.057 0.000 1.053 572 V CB 0.234 32.112 31.823 0.091 0.000 0.857 572 V HN 0.500 nan 8.190 nan 0.000 0.436 573 V N 2.224 122.144 119.914 0.009 0.000 2.483 573 V HA 0.514 4.628 4.120 -0.010 0.000 0.297 573 V C -2.685 173.405 176.094 -0.007 0.000 1.027 573 V CA -1.863 60.434 62.300 -0.006 0.000 0.855 573 V CB 1.673 33.483 31.823 -0.021 0.000 0.995 573 V HN 0.214 nan 8.190 nan 0.000 0.424 574 P HA 0.125 nan 4.420 nan 0.000 0.263 574 P C 0.226 177.522 177.300 -0.006 0.000 1.195 574 P CA 0.016 63.113 63.100 -0.005 0.000 0.762 574 P CB 0.486 32.183 31.700 -0.005 0.000 0.799 575 D N 2.068 122.466 120.400 -0.004 0.000 2.369 575 D HA -0.197 4.437 4.640 -0.010 0.000 0.213 575 D C 1.869 178.170 176.300 0.001 0.000 0.982 575 D CA 1.786 55.785 54.000 -0.001 0.000 0.931 575 D CB -0.277 40.523 40.800 0.001 0.000 0.889 575 D HN 0.577 nan 8.370 nan 0.000 0.487 576 E N 0.957 121.156 120.200 -0.001 0.000 1.949 576 E HA 0.010 4.354 4.350 -0.010 0.000 0.205 576 E C 1.683 178.284 176.600 0.001 0.000 0.957 576 E CA 1.679 58.079 56.400 0.001 0.000 0.886 576 E CB -0.900 28.799 29.700 -0.001 0.000 0.824 576 E HN 0.466 nan 8.360 nan 0.000 0.555 577 R N -0.780 119.717 120.500 -0.006 0.000 2.517 577 R HA 0.596 4.930 4.340 -0.010 0.000 0.250 577 R C 0.615 176.899 176.300 -0.027 0.000 1.213 577 R CA 0.349 56.444 56.100 -0.009 0.000 1.146 577 R CB -0.294 30.000 30.300 -0.011 0.000 1.279 577 R HN 0.483 nan 8.270 nan 0.000 0.597 578 T N 2.000 116.532 114.554 -0.037 0.000 2.829 578 T HA 0.526 4.870 4.350 -0.010 0.000 0.282 578 T C -2.176 172.458 174.700 -0.111 0.000 0.990 578 T CA -0.854 61.189 62.100 -0.095 0.000 1.028 578 T CB 1.534 70.356 68.868 -0.077 0.000 0.951 578 T HN 0.604 nan 8.240 nan 0.000 0.460 579 P HA 0.308 nan 4.420 nan 0.000 0.272 579 P C -0.748 176.450 177.300 -0.170 0.000 1.230 579 P CA -0.309 62.707 63.100 -0.140 0.000 0.788 579 P CB 0.458 32.072 31.700 -0.143 0.000 0.949 580 D N 0.973 121.287 120.400 -0.144 0.000 2.443 580 D HA 0.244 4.878 4.640 -0.010 0.000 0.281 580 D C -0.377 175.817 176.300 -0.176 0.000 1.210 580 D CA -0.369 53.541 54.000 -0.150 0.000 0.875 580 D CB -0.554 40.197 40.800 -0.082 0.000 1.125 580 D HN 0.167 nan 8.370 nan 0.000 0.503 581 I N 1.644 122.060 120.570 -0.256 0.000 2.741 581 I HA -0.073 4.091 4.170 -0.010 0.000 0.288 581 I C 1.769 177.713 176.117 -0.288 0.000 1.192 581 I CA 0.195 61.305 61.300 -0.318 0.000 1.426 581 I CB 1.154 38.865 38.000 -0.482 0.000 1.367 581 I HN 0.250 nan 8.210 nan 0.000 0.563 582 S N 6.159 121.720 115.700 -0.233 0.000 2.362 582 S HA -0.046 4.418 4.470 -0.010 0.000 0.221 582 S C 0.362 174.939 174.600 -0.038 0.000 1.032 582 S CA 0.786 58.937 58.200 -0.082 0.000 0.973 582 S CB 0.049 63.292 63.200 0.072 0.000 0.849 582 S HN 0.826 nan 8.310 nan 0.000 0.465 583 H N -2.629 116.287 119.070 -0.256 0.000 2.935 583 H HA 0.320 4.870 4.556 -0.010 0.000 0.297 583 H C -1.792 173.331 175.328 -0.341 0.000 1.423 583 H CA -0.994 54.903 56.048 -0.253 0.000 1.161 583 H CB -0.295 29.465 29.762 -0.005 0.000 1.841 583 H HN 0.212 nan 8.280 nan 0.000 0.506 584 F N 1.426 121.440 119.950 0.108 0.000 2.399 584 F HA 0.375 4.896 4.527 -0.010 0.000 0.334 584 F C -0.055 175.902 175.800 0.263 0.000 1.097 584 F CA -0.905 57.098 58.000 0.004 0.000 1.076 584 F CB 1.126 40.134 39.000 0.013 0.000 1.162 584 F HN 0.439 nan 8.300 nan 0.000 0.495 585 Y N -0.057 120.456 120.300 0.355 0.000 2.446 585 Y HA 0.840 5.384 4.550 -0.009 0.000 0.338 585 Y C -1.300 174.701 175.900 0.168 0.000 1.055 585 Y CA -1.687 56.593 58.100 0.300 0.000 1.101 585 Y CB 1.011 39.644 38.460 0.288 0.000 1.221 585 Y HN 0.281 nan 8.280 nan 0.000 0.460 586 V N 2.172 122.190 119.914 0.174 0.000 2.623 586 V HA 0.607 4.721 4.120 -0.010 0.000 0.304 586 V C 0.517 176.487 176.094 -0.207 0.000 1.054 586 V CA -0.582 61.746 62.300 0.047 0.000 0.882 586 V CB 1.063 32.989 31.823 0.173 0.000 1.002 586 V HN 1.335 nan 8.190 nan 0.000 0.424 587 G N 2.826 111.523 108.800 -0.173 0.000 2.179 587 G HA2 0.230 4.184 3.960 -0.010 0.000 0.257 587 G HA3 0.230 4.184 3.960 -0.010 0.000 0.257 587 G C 0.701 175.348 174.900 -0.421 0.000 1.010 587 G CA 0.434 45.316 45.100 -0.364 0.000 0.736 587 G HN 2.325 nan 8.290 nan 0.000 0.513 588 G N -2.659 106.004 108.800 -0.228 0.000 2.369 588 G HA2 0.351 4.305 3.960 -0.010 0.000 0.295 588 G HA3 0.351 4.305 3.960 -0.010 0.000 0.295 588 G C -0.063 174.733 174.900 -0.172 0.000 1.298 588 G CA 0.078 45.044 45.100 -0.224 0.000 0.940 588 G HN 0.499 nan 8.290 nan 0.000 0.536 589 Y N 0.378 120.651 120.300 -0.046 0.000 2.500 589 Y HA 0.327 4.871 4.550 -0.010 0.000 0.270 589 Y C 1.920 177.817 175.900 -0.004 0.000 1.134 589 Y CA 0.625 58.684 58.100 -0.069 0.000 1.293 589 Y CB 0.434 38.807 38.460 -0.145 0.000 1.063 589 Y HN 0.563 nan 8.280 nan 0.000 0.534 590 K N 1.420 121.888 120.400 0.113 0.000 3.077 590 K HA -0.211 4.103 4.320 -0.010 0.000 0.264 590 K C -1.328 175.310 176.600 0.063 0.000 1.008 590 K CA 0.290 56.620 56.287 0.073 0.000 0.740 590 K CB -0.568 31.971 32.500 0.065 0.000 1.273 590 K HN 0.144 nan 8.250 nan 0.000 0.477 591 R N 0.193 120.742 120.500 0.081 0.000 2.507 591 R HA 0.090 4.424 4.340 -0.010 0.000 0.298 591 R C 1.054 177.374 176.300 0.034 0.000 1.087 591 R CA 0.259 56.379 56.100 0.035 0.000 0.917 591 R CB 1.469 31.766 30.300 -0.004 0.000 1.173 591 R HN 0.280 nan 8.270 nan 0.000 0.472 592 S N 0.573 116.285 115.700 0.021 0.000 2.442 592 S HA -0.107 4.357 4.470 -0.010 0.000 0.236 592 S C 1.580 176.184 174.600 0.007 0.000 1.007 592 S CA 1.296 59.508 58.200 0.019 0.000 0.965 592 S CB 0.087 63.296 63.200 0.015 0.000 0.773 592 S HN 0.684 nan 8.310 nan 0.000 0.504 593 G N 0.770 109.564 108.800 -0.011 0.000 2.712 593 G HA2 0.246 4.201 3.960 -0.010 0.000 0.212 593 G HA3 0.246 4.201 3.960 -0.010 0.000 0.212 593 G C 0.495 175.371 174.900 -0.040 0.000 1.142 593 G CA -0.190 44.895 45.100 -0.026 0.000 0.789 593 G HN 0.355 nan 8.290 nan 0.000 0.535 594 M N 0.781 120.358 119.600 -0.039 0.000 2.216 594 M HA 0.240 4.714 4.480 -0.010 0.000 0.356 594 M C -1.657 174.655 176.300 0.020 0.000 1.205 594 M CA -2.463 52.803 55.300 -0.057 0.000 1.122 594 M CB 1.452 33.972 32.600 -0.134 0.000 1.571 594 M HN -0.151 nan 8.290 nan 0.000 0.464 595 P HA -0.007 nan 4.420 nan 0.000 0.233 595 P C 0.290 177.616 177.300 0.043 0.000 1.167 595 P CA 0.626 63.740 63.100 0.023 0.000 0.770 595 P CB -0.254 31.450 31.700 0.006 0.000 0.837 596 T N -2.324 112.280 114.554 0.084 0.000 2.882 596 T HA 0.387 4.731 4.350 -0.010 0.000 0.287 596 T C -0.409 174.315 174.700 0.040 0.000 1.014 596 T CA -0.613 61.519 62.100 0.053 0.000 1.049 596 T CB 1.104 70.004 68.868 0.053 0.000 1.001 596 T HN -0.182 nan 8.240 nan 0.000 0.525 597 D N 0.521 120.932 120.400 0.018 0.000 2.473 597 D HA 0.312 4.946 4.640 -0.010 0.000 0.253 597 D C -1.078 175.256 176.300 0.056 0.000 1.233 597 D CA -0.480 53.545 54.000 0.042 0.000 0.908 597 D CB 1.245 42.074 40.800 0.049 0.000 1.170 597 D HN 0.473 nan 8.370 nan 0.000 0.558 598 S N 3.832 119.576 115.700 0.074 0.000 2.422 598 S HA 0.430 4.894 4.470 -0.010 0.000 0.308 598 S C 0.167 174.882 174.600 0.192 0.000 1.097 598 S CA -0.777 57.518 58.200 0.159 0.000 1.099 598 S CB 0.990 64.257 63.200 0.111 0.000 0.976 598 S HN 0.266 nan 8.310 nan 0.000 0.471 599 R N 2.695 123.325 120.500 0.217 0.000 2.346 599 R HA 0.488 4.822 4.340 -0.010 0.000 0.309 599 R C -0.543 175.874 176.300 0.196 0.000 1.119 599 R CA -0.390 55.838 56.100 0.214 0.000 1.112 599 R CB 0.449 30.866 30.300 0.194 0.000 1.132 599 R HN 0.506 nan 8.270 nan 0.000 0.538 600 V N -1.755 118.297 119.914 0.231 0.000 3.178 600 V HA 0.584 4.699 4.120 -0.010 0.000 0.302 600 V C -0.465 175.766 176.094 0.229 0.000 1.262 600 V CA -0.807 61.532 62.300 0.066 0.000 1.030 600 V CB 2.406 34.211 31.823 -0.030 0.000 1.074 600 V HN 0.346 nan 8.190 nan 0.000 0.438 601 T N 1.943 116.562 114.554 0.108 0.000 2.823 601 T HA 0.760 5.104 4.350 -0.010 0.000 0.279 601 T C -0.676 174.122 174.700 0.164 0.000 0.998 601 T CA -0.375 61.825 62.100 0.166 0.000 0.994 601 T CB 1.511 70.515 68.868 0.227 0.000 0.960 601 T HN 0.849 nan 8.240 nan 0.000 0.448 602 V N 4.916 124.969 119.914 0.232 0.000 2.588 602 V HA 0.542 4.656 4.120 -0.010 0.000 0.304 602 V C -0.446 175.855 176.094 0.346 0.000 1.042 602 V CA -1.042 61.447 62.300 0.315 0.000 0.877 602 V CB 1.910 34.025 31.823 0.487 0.000 0.996 602 V HN 0.820 nan 8.190 nan 0.000 0.425 603 N N 2.972 121.849 118.700 0.295 0.000 2.265 603 N HA 0.415 5.149 4.740 -0.010 0.000 0.300 603 N C -0.570 175.109 175.510 0.282 0.000 1.148 603 N CA -0.770 52.463 53.050 0.304 0.000 0.772 603 N CB 1.845 40.461 38.487 0.215 0.000 1.434 603 N HN 0.813 nan 8.380 nan 0.000 0.481 604 N N -0.561 118.306 118.700 0.278 0.000 2.608 604 N HA -0.161 4.574 4.740 -0.010 0.000 0.273 604 N C -1.113 174.547 175.510 0.249 0.000 1.133 604 N CA -0.034 53.215 53.050 0.330 0.000 0.726 604 N CB -0.703 38.016 38.487 0.388 0.000 0.890 604 N HN 0.213 nan 8.380 nan 0.000 0.548 605 V N 2.156 122.101 119.914 0.052 0.000 2.408 605 V HA 0.323 4.437 4.120 -0.010 0.000 0.267 605 V C 0.650 176.802 176.094 0.097 0.000 1.047 605 V CA -0.180 62.090 62.300 -0.049 0.000 0.937 605 V CB 0.959 32.550 31.823 -0.385 0.000 0.999 605 V HN 0.251 nan 8.190 nan 0.000 0.472 606 L N 5.815 127.089 121.223 0.084 0.000 2.329 606 L HA 0.625 4.959 4.340 -0.010 0.000 0.279 606 L C -0.642 176.217 176.870 -0.017 0.000 1.014 606 L CA -0.660 54.181 54.840 0.001 0.000 0.814 606 L CB 1.856 43.854 42.059 -0.101 0.000 1.257 606 L HN 0.465 nan 8.230 nan 0.000 0.424 607 L N 3.373 124.507 121.223 -0.149 0.000 2.325 607 L HA 0.537 4.871 4.340 -0.010 0.000 0.281 607 L C -1.369 175.253 176.870 -0.414 0.000 1.004 607 L CA -0.035 54.631 54.840 -0.289 0.000 0.823 607 L CB 0.992 42.676 42.059 -0.625 0.000 1.236 607 L HN 0.277 nan 8.230 nan 0.000 0.415 608 Y N 2.784 122.985 120.300 -0.166 0.000 2.446 608 Y HA 0.356 4.900 4.550 -0.010 0.000 0.338 608 Y C 0.889 176.641 175.900 -0.248 0.000 1.055 608 Y CA -0.641 57.327 58.100 -0.221 0.000 1.101 608 Y CB 1.381 39.741 38.460 -0.167 0.000 1.221 608 Y HN 0.715 nan 8.280 nan 0.000 0.460 609 N N 1.990 120.447 118.700 -0.406 0.000 2.375 609 N HA 0.075 4.809 4.740 -0.010 0.000 0.220 609 N C -0.597 174.781 175.510 -0.220 0.000 1.170 609 N CA -0.274 52.322 53.050 -0.756 0.000 0.833 609 N CB -0.084 37.548 38.487 -1.425 0.000 1.069 609 N HN 0.768 nan 8.380 nan 0.000 0.479 610 R N -2.461 118.005 120.500 -0.056 0.000 2.733 610 R HA 0.275 4.610 4.340 -0.010 0.000 0.272 610 R C -1.422 174.840 176.300 -0.064 0.000 1.029 610 R CA -0.965 55.108 56.100 -0.046 0.000 0.888 610 R CB 0.665 30.919 30.300 -0.076 0.000 1.251 610 R HN 0.052 nan 8.270 nan 0.000 0.464 611 Q N 2.134 121.880 119.800 -0.089 0.000 2.307 611 Q HA 0.271 4.605 4.340 -0.010 0.000 0.259 611 Q C -0.639 175.264 176.000 -0.162 0.000 0.998 611 Q CA -0.493 55.233 55.803 -0.129 0.000 0.923 611 Q CB 0.823 29.497 28.738 -0.107 0.000 1.196 611 Q HN 0.494 nan 8.270 nan 0.000 0.416 612 L N 3.614 124.697 121.223 -0.232 0.000 2.467 612 L HA 0.080 4.414 4.340 -0.010 0.000 0.270 612 L C 0.632 177.370 176.870 -0.221 0.000 1.205 612 L CA -0.425 54.241 54.840 -0.291 0.000 0.828 612 L CB 0.102 41.914 42.059 -0.412 0.000 1.101 612 L HN 0.802 nan 8.230 nan 0.000 0.479 613 N N 1.377 119.962 118.700 -0.192 0.000 2.434 613 N HA 0.241 4.975 4.740 -0.010 0.000 0.266 613 N C 0.567 175.981 175.510 -0.160 0.000 1.223 613 N CA -0.026 52.938 53.050 -0.143 0.000 0.972 613 N CB 0.758 39.183 38.487 -0.104 0.000 1.207 613 N HN 0.602 nan 8.380 nan 0.000 0.525 614 A N -0.163 122.588 122.820 -0.115 0.000 1.892 614 A HA -0.280 4.035 4.320 -0.010 0.000 0.218 614 A C 1.971 179.497 177.584 -0.097 0.000 1.188 614 A CA 2.030 54.003 52.037 -0.106 0.000 0.631 614 A CB -1.230 17.745 19.000 -0.042 0.000 0.822 614 A HN 0.931 nan 8.150 nan 0.000 0.447 615 E N -0.157 119.996 120.200 -0.078 0.000 2.077 615 E HA -0.238 4.106 4.350 -0.010 0.000 0.193 615 E C 1.861 178.411 176.600 -0.084 0.000 0.989 615 E CA 1.429 57.791 56.400 -0.064 0.000 0.800 615 E CB -0.186 29.482 29.700 -0.054 0.000 0.746 615 E HN 0.757 nan 8.360 nan 0.000 0.452 616 E N 0.317 120.444 120.200 -0.121 0.000 2.110 616 E HA -0.163 4.182 4.350 -0.010 0.000 0.193 616 E C 2.203 178.713 176.600 -0.150 0.000 0.988 616 E CA 1.185 57.494 56.400 -0.151 0.000 0.804 616 E CB -0.061 29.508 29.700 -0.219 0.000 0.745 616 E HN 0.394 nan 8.360 nan 0.000 0.458 617 I N 0.747 121.211 120.570 -0.176 0.000 2.252 617 I HA -0.257 3.907 4.170 -0.010 0.000 0.245 617 I C 2.730 178.824 176.117 -0.039 0.000 1.102 617 I CA 0.947 62.151 61.300 -0.160 0.000 1.385 617 I CB -0.188 37.599 38.000 -0.356 0.000 1.064 617 I HN 0.028 nan 8.210 nan 0.000 0.414 618 R N 0.555 121.037 120.500 -0.030 0.000 2.081 618 R HA -0.170 4.164 4.340 -0.010 0.000 0.235 618 R C 2.227 178.549 176.300 0.037 0.000 1.131 618 R CA 2.109 58.250 56.100 0.067 0.000 0.960 618 R CB -0.324 30.005 30.300 0.048 0.000 0.856 618 R HN 0.235 nan 8.270 nan 0.000 0.436 619 T N 1.522 116.060 114.554 -0.027 0.000 2.746 619 T HA -0.113 4.231 4.350 -0.010 0.000 0.267 619 T C 1.787 176.442 174.700 -0.074 0.000 1.039 619 T CA 1.381 63.448 62.100 -0.056 0.000 1.142 619 T CB -0.105 68.728 68.868 -0.058 0.000 0.866 619 T HN 0.184 nan 8.240 nan 0.000 0.444 620 L N -0.046 121.146 121.223 -0.051 0.000 2.056 620 L HA -0.026 4.308 4.340 -0.010 0.000 0.207 620 L C 2.289 179.001 176.870 -0.264 0.000 1.078 620 L CA 1.189 56.004 54.840 -0.041 0.000 0.749 620 L CB -0.535 41.589 42.059 0.109 0.000 0.901 620 L HN 0.221 nan 8.230 nan 0.000 0.433 621 F N 1.027 120.644 119.950 -0.555 0.000 2.069 621 F HA -0.227 4.294 4.527 -0.010 0.000 0.298 621 F C 2.128 177.701 175.800 -0.380 0.000 1.113 621 F CA 1.600 59.109 58.000 -0.819 0.000 1.214 621 F CB -0.525 38.249 39.000 -0.377 0.000 0.978 621 F HN -0.124 nan 8.300 nan 0.000 0.474 622 L N 0.221 121.126 121.223 -0.530 0.000 2.275 622 L HA -0.138 4.196 4.340 -0.010 0.000 0.215 622 L C 2.043 178.715 176.870 -0.330 0.000 1.119 622 L CA 1.364 55.877 54.840 -0.545 0.000 0.790 622 L CB -0.874 41.001 42.059 -0.305 0.000 0.919 622 L HN 0.368 nan 8.230 nan 0.000 0.443 623 S N -2.225 113.339 115.700 -0.227 0.000 2.582 623 S HA 0.073 4.537 4.470 -0.010 0.000 0.234 623 S C 1.387 175.942 174.600 -0.074 0.000 0.961 623 S CA -0.505 57.620 58.200 -0.126 0.000 0.953 623 S CB 0.312 63.463 63.200 -0.082 0.000 0.800 623 S HN 0.364 nan 8.310 nan 0.000 0.471 624 Q N 1.625 121.363 119.800 -0.103 0.000 2.133 624 Q HA -0.181 4.154 4.340 -0.010 0.000 0.208 624 Q C 0.780 176.815 176.000 0.057 0.000 0.991 624 Q CA 1.848 57.659 55.803 0.015 0.000 0.867 624 Q CB -0.304 28.455 28.738 0.035 0.000 0.911 624 Q HN 0.579 nan 8.270 nan 0.000 0.417 625 D N -0.230 120.180 120.400 0.016 0.000 2.363 625 D HA -0.003 4.631 4.640 -0.010 0.000 0.226 625 D C 1.302 177.639 176.300 0.061 0.000 1.020 625 D CA 0.655 54.680 54.000 0.041 0.000 0.892 625 D CB 0.239 41.047 40.800 0.012 0.000 0.900 625 D HN 0.276 nan 8.370 nan 0.000 0.531 626 L N 0.148 121.407 121.223 0.060 0.000 2.609 626 L HA 0.230 4.564 4.340 -0.010 0.000 0.230 626 L C 2.101 179.058 176.870 0.146 0.000 1.087 626 L CA 0.121 55.010 54.840 0.082 0.000 0.874 626 L CB 0.084 42.160 42.059 0.028 0.000 1.114 626 L HN -0.020 nan 8.230 nan 0.000 0.488 627 I N -2.221 118.451 120.570 0.171 0.000 3.419 627 I HA 0.263 4.427 4.170 -0.010 0.000 0.286 627 I C 1.310 177.733 176.117 0.511 0.000 1.268 627 I CA -0.173 61.286 61.300 0.264 0.000 1.414 627 I CB -0.644 37.451 38.000 0.159 0.000 1.074 627 I HN 0.019 nan 8.210 nan 0.000 0.457 628 G N 1.636 110.667 108.800 0.384 0.000 2.562 628 G HA2 0.136 4.090 3.960 -0.010 0.000 0.233 628 G HA3 0.136 4.090 3.960 -0.010 0.000 0.233 628 G C 0.970 176.027 174.900 0.262 0.000 1.266 628 G CA 0.460 45.740 45.100 0.301 0.000 0.852 628 G HN 0.465 nan 8.290 nan 0.000 0.581 629 T N -1.832 112.729 114.554 0.012 0.000 3.129 629 T HA 0.063 4.407 4.350 -0.010 0.000 0.251 629 T C 1.591 176.342 174.700 0.085 0.000 1.117 629 T CA 0.944 63.022 62.100 -0.036 0.000 1.034 629 T CB 0.091 68.637 68.868 -0.535 0.000 0.968 629 T HN 0.697 nan 8.240 nan 0.000 0.526 630 E N 2.018 122.163 120.200 -0.091 0.000 2.086 630 E HA -0.205 4.139 4.350 -0.010 0.000 0.200 630 E C 1.993 178.388 176.600 -0.342 0.000 1.012 630 E CA 1.429 57.527 56.400 -0.503 0.000 0.812 630 E CB -0.473 28.894 29.700 -0.555 0.000 0.743 630 E HN 0.666 nan 8.360 nan 0.000 0.453 631 A N -0.034 122.607 122.820 -0.299 0.000 2.276 631 A HA 0.085 4.399 4.320 -0.010 0.000 0.212 631 A C -0.349 176.808 177.584 -0.712 0.000 1.230 631 A CA 0.261 52.003 52.037 -0.493 0.000 0.844 631 A CB -0.384 18.308 19.000 -0.512 0.000 0.860 631 A HN 0.345 nan 8.150 nan 0.000 0.486 632 H N 0.000 119.082 119.070 0.020 0.000 2.539 632 H HA 0.000 4.551 4.556 -0.009 0.000 0.296 632 H CA 0.000 56.068 56.048 0.034 0.000 1.023 632 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496