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 2f8s_1_B DATA FIRST_RESID 3 DATA SEQUENCE KEALLNLYRI EYRPKDTTFT VFKPTHEIQK EKLNKVRWRV FLQTGLPTFR DATA SEQUENCE REDEFWCAGK VEKDTLYLTL SNGEIVELKR VGEEEFRGFQ NERECQELFR DATA SEQUENCE DFLTKTKVKD KFISDFYKKF RDKITVQGKN RKIALIPEVN EKVLKSEEGY DATA SEQUENCE FLLHLDLKFR IQPFETLQTL LERNDFNPKR IRVKPIGIDF VGRVQDVFKA DATA SEQUENCE KEKGEEFFRL CMERSTHKSS KKAWEELLKN RELREKAFLV VLEKGYTYPA DATA SEQUENCE TILKPVLTYE NLEDEERNEV ADIVRMEPGK RLNLIRYILR RYVKALRDYG DATA SEQUENCE WYISPEEERA KGKLNFKDTV LDAKGKNTKV ITNLRKFLEL CRPFVKKDVL DATA SEQUENCE SVEIISVSVY KKLEWRKEEF LKELINFLKN KGIKLKIKGK SLILAQTREE DATA SEQUENCE AKEKLIPVIN KIKDVDLVIV FLEEYPKVDP YKSFLLYDFV KRELLKKMIP DATA SEQUENCE SQVILNRTLK NENLKFVLLN VAEQVLAKTG NIPYKLKEIE GKVDAFVGID DATA SEQUENCE ISRITRDGKT VNAVAFTKIF NSKGELVRYY LTSYPAFGEK LTEKAIGDVF DATA SEQUENCE SLLEKLGFKK GSKIVVHRDG RLYRDEVAAF KKYGELYGYS LELLEIIKRN DATA SEQUENCE NPRFFSNEKF IKGYFYKLSE DSVILATYNQ VYEGTHQPIK VRKVYGELPV DATA SEQUENCE EVLCSQILSL TLMNYSSFQP IKLPATVHYS DKITKLMLRG IEPIKKEGDI DATA SEQUENCE MYWL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.678 176.600 0.130 0.000 0.988 3 K CA 0.000 56.344 56.287 0.095 0.000 0.838 3 K CB 0.000 32.538 32.500 0.064 0.000 1.064 4 E N 0.845 121.100 120.200 0.092 0.000 2.604 4 E HA 0.086 4.437 4.350 0.001 0.000 0.267 4 E C -0.825 175.829 176.600 0.091 0.000 0.970 4 E CA 0.645 57.106 56.400 0.101 0.000 0.956 4 E CB 0.595 30.336 29.700 0.068 0.000 0.939 4 E HN 0.468 nan 8.360 nan 0.000 0.465 5 A N 4.243 127.144 122.820 0.134 0.000 2.411 5 A HA 0.404 4.724 4.320 0.001 0.000 0.285 5 A C -0.958 176.735 177.584 0.183 0.000 1.129 5 A CA -0.689 51.393 52.037 0.075 0.000 0.736 5 A CB 0.526 19.427 19.000 -0.165 0.000 1.186 5 A HN 0.319 nan 8.150 nan 0.000 0.445 6 L N 1.450 122.772 121.223 0.165 0.000 2.439 6 L HA 0.675 5.016 4.340 0.001 0.000 0.259 6 L C -0.127 176.834 176.870 0.150 0.000 1.129 6 L CA 0.019 54.927 54.840 0.113 0.000 0.803 6 L CB 0.864 42.952 42.059 0.048 0.000 1.161 6 L HN 0.650 nan 8.230 nan 0.000 0.462 7 L N 1.027 122.218 121.223 -0.054 0.000 2.388 7 L HA 0.429 4.770 4.340 0.001 0.000 0.264 7 L C -0.308 176.397 176.870 -0.275 0.000 0.998 7 L CA -0.569 54.183 54.840 -0.146 0.000 0.817 7 L CB 1.852 43.654 42.059 -0.428 0.000 1.338 7 L HN 0.654 nan 8.230 nan 0.000 0.414 8 N N 3.924 122.537 118.700 -0.144 0.000 3.050 8 N HA 0.182 4.923 4.740 0.001 0.000 0.289 8 N C -1.270 174.112 175.510 -0.215 0.000 1.209 8 N CA 0.120 53.072 53.050 -0.163 0.000 1.154 8 N CB -0.107 38.443 38.487 0.105 0.000 1.444 8 N HN 0.451 nan 8.380 nan 0.000 0.529 9 L N 1.672 122.552 121.223 -0.571 0.000 2.476 9 L HA 0.407 4.748 4.340 0.001 0.000 0.269 9 L C -1.438 175.098 176.870 -0.557 0.000 0.965 9 L CA -0.875 53.733 54.840 -0.386 0.000 0.845 9 L CB 1.409 43.208 42.059 -0.435 0.000 1.259 9 L HN 0.153 nan 8.230 nan 0.000 0.403 10 Y N 1.360 121.645 120.300 -0.024 0.000 2.425 10 Y HA 0.480 5.031 4.550 0.001 0.000 0.344 10 Y C 0.181 176.124 175.900 0.072 0.000 0.969 10 Y CA -0.761 57.346 58.100 0.012 0.000 1.052 10 Y CB 1.978 40.436 38.460 -0.005 0.000 1.215 10 Y HN 0.472 nan 8.280 nan 0.000 0.451 11 R N 3.285 123.910 120.500 0.208 0.000 2.570 11 R HA 0.357 4.698 4.340 0.001 0.000 0.277 11 R C -1.146 175.300 176.300 0.243 0.000 1.039 11 R CA 0.290 56.513 56.100 0.206 0.000 1.065 11 R CB 0.154 30.470 30.300 0.026 0.000 0.964 11 R HN 0.738 nan 8.270 nan 0.000 0.428 12 I N 3.330 124.079 120.570 0.299 0.000 2.545 12 I HA 0.317 4.487 4.170 0.001 0.000 0.292 12 I C -0.826 175.550 176.117 0.430 0.000 1.040 12 I CA -0.687 60.834 61.300 0.367 0.000 1.068 12 I CB 2.310 40.497 38.000 0.312 0.000 1.251 12 I HN 0.770 nan 8.210 nan 0.000 0.424 13 E N 4.176 124.657 120.200 0.468 0.000 2.372 13 E HA 0.296 4.647 4.350 0.001 0.000 0.279 13 E C -1.922 174.898 176.600 0.367 0.000 0.946 13 E CA -0.638 55.990 56.400 0.381 0.000 0.769 13 E CB 3.144 32.941 29.700 0.162 0.000 1.230 13 E HN 0.414 nan 8.360 nan 0.000 0.442 14 Y N 3.216 123.537 120.300 0.035 0.000 2.376 14 Y HA 0.400 4.950 4.550 0.001 0.000 0.326 14 Y C -1.170 174.678 175.900 -0.087 0.000 0.970 14 Y CA -0.733 57.184 58.100 -0.306 0.000 1.248 14 Y CB 0.682 38.562 38.460 -0.968 0.000 1.117 14 Y HN 0.431 nan 8.280 nan 0.000 0.476 15 R N 6.487 126.744 120.500 -0.405 0.000 2.513 15 R HA 0.487 4.828 4.340 0.001 0.000 0.283 15 R C -3.295 172.809 176.300 -0.328 0.000 1.535 15 R CA -1.808 54.078 56.100 -0.356 0.000 1.315 15 R CB 0.951 31.125 30.300 -0.210 0.000 1.163 15 R HN 0.319 nan 8.270 nan 0.000 0.573 16 P HA 0.121 nan 4.420 nan 0.000 0.274 16 P C -0.099 177.172 177.300 -0.048 0.000 1.231 16 P CA -0.482 62.478 63.100 -0.233 0.000 0.790 16 P CB 1.436 33.032 31.700 -0.174 0.000 0.951 17 K N 0.439 120.845 120.400 0.010 0.000 1.969 17 K HA -0.142 4.178 4.320 0.001 0.000 0.216 17 K C 0.717 177.353 176.600 0.059 0.000 1.048 17 K CA 1.329 57.635 56.287 0.032 0.000 0.948 17 K CB -0.610 31.909 32.500 0.032 0.000 0.726 17 K HN 0.546 nan 8.250 nan 0.000 0.442 18 D N 1.016 121.463 120.400 0.078 0.000 2.412 18 D HA -0.063 4.577 4.640 0.001 0.000 0.257 18 D C -0.002 176.404 176.300 0.176 0.000 1.217 18 D CA 0.682 54.749 54.000 0.112 0.000 0.897 18 D CB 0.908 41.772 40.800 0.106 0.000 1.132 18 D HN 0.072 nan 8.370 nan 0.000 0.493 19 T N 2.379 117.058 114.554 0.208 0.000 3.214 19 T HA 0.140 4.491 4.350 0.001 0.000 0.264 19 T C -0.158 174.826 174.700 0.473 0.000 1.012 19 T CA -0.192 62.099 62.100 0.319 0.000 0.901 19 T CB -0.103 68.896 68.868 0.217 0.000 1.070 19 T HN 0.273 nan 8.240 nan 0.000 0.561 20 T N 2.171 116.971 114.554 0.411 0.000 2.809 20 T HA 0.580 4.931 4.350 0.001 0.000 0.296 20 T C -1.297 173.608 174.700 0.341 0.000 1.015 20 T CA -0.331 61.982 62.100 0.355 0.000 0.954 20 T CB 0.340 69.319 68.868 0.184 0.000 0.950 20 T HN 0.115 nan 8.240 nan 0.000 0.450 21 F N 1.607 121.653 119.950 0.159 0.000 2.507 21 F HA 0.542 5.070 4.527 0.002 0.000 0.327 21 F C 0.847 176.604 175.800 -0.071 0.000 1.068 21 F CA -0.813 57.249 58.000 0.104 0.000 0.965 21 F CB 1.992 41.145 39.000 0.256 0.000 1.192 21 F HN 0.282 nan 8.300 nan 0.000 0.476 22 T N 2.791 117.398 114.554 0.088 0.000 2.758 22 T HA 0.534 4.884 4.350 0.001 0.000 0.285 22 T C -0.511 174.211 174.700 0.038 0.000 0.981 22 T CA -0.544 61.571 62.100 0.025 0.000 0.965 22 T CB 1.099 70.047 68.868 0.133 0.000 0.927 22 T HN 0.211 nan 8.240 nan 0.000 0.448 23 V N 4.066 123.854 119.914 -0.211 0.000 2.539 23 V HA 0.584 4.705 4.120 0.001 0.000 0.292 23 V C -0.696 175.335 176.094 -0.105 0.000 1.045 23 V CA -0.650 61.497 62.300 -0.255 0.000 0.945 23 V CB 0.987 32.458 31.823 -0.587 0.000 0.993 23 V HN 0.736 nan 8.190 nan 0.000 0.464 24 F N 2.888 122.826 119.950 -0.021 0.000 2.540 24 F HA 0.616 5.144 4.527 0.002 0.000 0.317 24 F C 0.076 175.969 175.800 0.154 0.000 1.104 24 F CA -0.721 57.307 58.000 0.046 0.000 0.913 24 F CB 1.950 40.963 39.000 0.022 0.000 1.170 24 F HN 0.265 nan 8.300 nan 0.000 0.450 25 K N 4.422 124.936 120.400 0.191 0.000 2.371 25 K HA 0.537 4.858 4.320 0.001 0.000 0.251 25 K C -2.943 173.749 176.600 0.153 0.000 0.934 25 K CA -2.200 54.207 56.287 0.200 0.000 0.798 25 K CB 2.430 34.995 32.500 0.109 0.000 1.204 25 K HN 0.198 nan 8.250 nan 0.000 0.427 26 P HA 0.024 nan 4.420 nan 0.000 0.277 26 P C 0.467 177.815 177.300 0.080 0.000 1.240 26 P CA -0.206 62.959 63.100 0.108 0.000 0.798 26 P CB 1.092 32.886 31.700 0.158 0.000 0.979 27 T N -0.152 114.417 114.554 0.025 0.000 2.614 27 T HA -0.117 4.234 4.350 0.001 0.000 0.263 27 T C 1.054 175.879 174.700 0.209 0.000 1.055 27 T CA 1.268 63.400 62.100 0.053 0.000 1.162 27 T CB -1.062 67.771 68.868 -0.059 0.000 0.863 27 T HN 0.411 nan 8.240 nan 0.000 0.414 28 H N 1.200 120.295 119.070 0.042 0.000 2.408 28 H HA 0.663 5.220 4.556 0.001 0.000 0.345 28 H C -0.145 175.222 175.328 0.065 0.000 1.547 28 H CA -1.160 54.917 56.048 0.049 0.000 1.447 28 H CB 0.093 29.882 29.762 0.046 0.000 1.686 28 H HN 0.448 nan 8.280 nan 0.000 0.625 29 E N 0.402 120.718 120.200 0.193 0.000 2.113 29 E HA 0.292 4.643 4.350 0.001 0.000 0.273 29 E C -0.399 176.283 176.600 0.138 0.000 0.924 29 E CA -0.380 56.105 56.400 0.142 0.000 0.764 29 E CB 0.734 30.494 29.700 0.099 0.000 1.104 29 E HN 0.299 nan 8.360 nan 0.000 0.406 30 I N 4.053 124.713 120.570 0.150 0.000 2.533 30 I HA -0.053 4.118 4.170 0.001 0.000 0.284 30 I C 0.605 176.797 176.117 0.124 0.000 1.109 30 I CA -0.024 61.363 61.300 0.146 0.000 1.412 30 I CB 0.539 38.647 38.000 0.180 0.000 1.396 30 I HN 0.361 nan 8.210 nan 0.000 0.543 31 Q N 6.519 126.384 119.800 0.108 0.000 2.520 31 Q HA -0.133 4.208 4.340 0.001 0.000 0.320 31 Q C 0.869 176.929 176.000 0.100 0.000 1.104 31 Q CA 0.385 56.244 55.803 0.094 0.000 1.062 31 Q CB 0.146 28.935 28.738 0.086 0.000 1.005 31 Q HN 0.497 nan 8.270 nan 0.000 0.390 32 K N 2.130 122.584 120.400 0.090 0.000 2.286 32 K HA -0.191 4.130 4.320 0.001 0.000 0.203 32 K C 0.712 177.368 176.600 0.092 0.000 1.045 32 K CA 1.124 57.465 56.287 0.090 0.000 0.935 32 K CB 0.155 32.700 32.500 0.074 0.000 0.737 32 K HN 0.543 nan 8.250 nan 0.000 0.460 33 E N 0.394 120.648 120.200 0.089 0.000 2.416 33 E HA -0.032 4.319 4.350 0.001 0.000 0.189 33 E C 0.228 176.891 176.600 0.105 0.000 1.091 33 E CA 0.464 56.919 56.400 0.091 0.000 0.889 33 E CB 0.251 30.000 29.700 0.081 0.000 1.015 33 E HN 0.235 nan 8.360 nan 0.000 0.479 34 K N -0.268 120.203 120.400 0.118 0.000 2.603 34 K HA 0.214 4.535 4.320 0.001 0.000 0.202 34 K C 1.309 178.009 176.600 0.167 0.000 1.279 34 K CA -0.098 56.269 56.287 0.132 0.000 1.056 34 K CB 0.695 33.267 32.500 0.120 0.000 1.062 34 K HN -0.024 nan 8.250 nan 0.000 0.606 35 L N 0.915 122.243 121.223 0.176 0.000 2.201 35 L HA -0.112 4.228 4.340 0.001 0.000 0.212 35 L C 1.192 178.226 176.870 0.273 0.000 1.105 35 L CA 1.086 56.070 54.840 0.240 0.000 0.775 35 L CB -0.190 41.981 42.059 0.186 0.000 0.913 35 L HN 0.283 nan 8.230 nan 0.000 0.440 36 N N 0.088 118.910 118.700 0.203 0.000 2.376 36 N HA -0.087 4.654 4.740 0.001 0.000 0.177 36 N C 1.648 177.296 175.510 0.230 0.000 1.024 36 N CA 0.793 53.964 53.050 0.202 0.000 0.893 36 N CB 0.057 38.620 38.487 0.127 0.000 0.980 36 N HN 0.292 nan 8.380 nan 0.000 0.439 37 K N 0.152 120.677 120.400 0.209 0.000 2.155 37 K HA 0.057 4.378 4.320 0.001 0.000 0.203 37 K C 1.760 178.506 176.600 0.243 0.000 1.052 37 K CA 0.528 56.956 56.287 0.235 0.000 0.948 37 K CB 0.171 32.778 32.500 0.178 0.000 0.728 37 K HN -0.058 nan 8.250 nan 0.000 0.448 38 V N 1.553 121.584 119.914 0.196 0.000 2.323 38 V HA -0.192 3.929 4.120 0.001 0.000 0.244 38 V C 2.403 178.517 176.094 0.034 0.000 1.041 38 V CA 1.457 63.795 62.300 0.063 0.000 1.025 38 V CB -0.517 31.322 31.823 0.027 0.000 0.656 38 V HN 0.327 nan 8.190 nan 0.000 0.451 39 R N -0.419 120.278 120.500 0.329 0.000 2.103 39 R HA -0.256 4.085 4.340 0.001 0.000 0.242 39 R C 2.254 178.741 176.300 0.310 0.000 1.142 39 R CA 2.393 58.750 56.100 0.429 0.000 0.960 39 R CB -0.606 30.029 30.300 0.559 0.000 0.858 39 R HN 0.764 nan 8.270 nan 0.000 0.439 40 W N 1.780 123.145 121.300 0.108 0.000 2.354 40 W HA -0.206 4.455 4.660 0.001 0.000 0.315 40 W C 1.664 178.236 176.519 0.088 0.000 1.206 40 W CA 0.995 58.394 57.345 0.090 0.000 1.290 40 W CB -0.143 29.355 29.460 0.064 0.000 1.152 40 W HN 0.081 nan 8.180 nan 0.000 0.489 41 R N 0.362 120.834 120.500 -0.046 0.000 2.193 41 R HA -0.129 4.211 4.340 0.001 0.000 0.229 41 R C 1.919 178.068 176.300 -0.251 0.000 1.110 41 R CA 1.157 57.127 56.100 -0.217 0.000 0.988 41 R CB -1.211 29.025 30.300 -0.106 0.000 0.871 41 R HN 0.269 nan 8.270 nan 0.000 0.458 42 V N 0.732 120.527 119.914 -0.198 0.000 2.379 42 V HA -0.191 3.929 4.120 0.001 0.000 0.245 42 V C 1.974 177.949 176.094 -0.199 0.000 1.044 42 V CA 1.427 63.578 62.300 -0.248 0.000 1.036 42 V CB -0.585 31.083 31.823 -0.258 0.000 0.664 42 V HN 0.130 nan 8.190 nan 0.000 0.453 43 F N 0.427 120.212 119.950 -0.274 0.000 2.084 43 F HA -0.130 4.398 4.527 0.001 0.000 0.296 43 F C 2.094 177.659 175.800 -0.392 0.000 1.111 43 F CA 1.623 59.449 58.000 -0.289 0.000 1.224 43 F CB -0.391 38.473 39.000 -0.225 0.000 0.991 43 F HN -0.007 nan 8.300 nan 0.000 0.471 44 L N 0.232 121.123 121.223 -0.553 0.000 2.010 44 L HA -0.346 3.995 4.340 0.001 0.000 0.219 44 L C 2.711 179.286 176.870 -0.492 0.000 1.077 44 L CA 2.347 56.808 54.840 -0.630 0.000 0.773 44 L CB -0.900 40.794 42.059 -0.607 0.000 0.892 44 L HN 0.378 nan 8.230 nan 0.000 0.436 45 Q N -1.327 118.242 119.800 -0.385 0.000 2.137 45 Q HA -0.158 4.182 4.340 0.001 0.000 0.198 45 Q C 2.041 177.864 176.000 -0.295 0.000 0.960 45 Q CA 1.718 57.344 55.803 -0.295 0.000 0.847 45 Q CB 0.187 28.780 28.738 -0.242 0.000 0.915 45 Q HN 0.333 nan 8.270 nan 0.000 0.448 46 T N -1.239 113.114 114.554 -0.335 0.000 2.985 46 T HA 0.080 4.431 4.350 0.001 0.000 0.266 46 T C 1.066 175.574 174.700 -0.320 0.000 1.076 46 T CA 1.080 62.998 62.100 -0.304 0.000 1.135 46 T CB -0.120 68.559 68.868 -0.315 0.000 0.890 46 T HN 0.703 nan 8.240 nan 0.000 0.480 47 G N 0.753 109.279 108.800 -0.457 0.000 2.320 47 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 47 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 47 G C 0.074 174.627 174.900 -0.580 0.000 1.033 47 G CA 0.188 44.976 45.100 -0.520 0.000 0.620 47 G HN 0.530 nan 8.290 nan 0.000 0.517 48 L N 1.697 122.681 121.223 -0.398 0.000 2.334 48 L HA 0.558 4.899 4.340 0.001 0.000 0.275 48 L C -2.045 174.815 176.870 -0.017 0.000 1.036 48 L CA -2.481 52.209 54.840 -0.250 0.000 0.807 48 L CB 1.265 43.208 42.059 -0.194 0.000 1.231 48 L HN -0.156 nan 8.230 nan 0.000 0.438 49 P HA 0.012 nan 4.420 nan 0.000 0.266 49 P C -0.795 176.612 177.300 0.179 0.000 1.186 49 P CA 0.342 63.482 63.100 0.067 0.000 0.767 49 P CB 0.451 31.907 31.700 -0.407 0.000 0.820 50 T N 2.378 117.079 114.554 0.245 0.000 2.982 50 T HA 0.597 4.947 4.350 0.001 0.000 0.321 50 T C -0.840 174.079 174.700 0.365 0.000 1.229 50 T CA -0.326 61.946 62.100 0.285 0.000 1.044 50 T CB 0.616 69.632 68.868 0.247 0.000 1.184 50 T HN 0.287 nan 8.240 nan 0.000 0.477 51 F N 0.220 120.405 119.950 0.392 0.000 2.631 51 F HA 0.850 5.377 4.527 0.001 0.000 0.328 51 F C -0.429 175.524 175.800 0.255 0.000 1.067 51 F CA -1.676 56.492 58.000 0.281 0.000 0.969 51 F CB 1.343 40.486 39.000 0.238 0.000 1.332 51 F HN 0.432 nan 8.300 nan 0.000 0.490 52 R N 1.813 122.624 120.500 0.517 0.000 2.407 52 R HA 0.524 4.865 4.340 0.001 0.000 0.303 52 R C -0.970 175.513 176.300 0.304 0.000 0.981 52 R CA -0.833 55.363 56.100 0.160 0.000 0.905 52 R CB 0.987 31.242 30.300 -0.075 0.000 1.099 52 R HN 0.779 nan 8.270 nan 0.000 0.459 53 R N 3.499 124.126 120.500 0.211 0.000 2.439 53 R HA 0.124 4.465 4.340 0.001 0.000 0.310 53 R C 0.296 176.656 176.300 0.099 0.000 0.955 53 R CA -0.439 55.768 56.100 0.178 0.000 0.853 53 R CB 1.612 32.061 30.300 0.248 0.000 1.171 53 R HN 0.931 nan 8.270 nan 0.000 0.449 54 E N 1.639 121.874 120.200 0.060 0.000 3.848 54 E HA -0.345 4.006 4.350 0.001 0.000 0.326 54 E C 0.277 176.883 176.600 0.010 0.000 1.382 54 E CA 2.397 58.823 56.400 0.043 0.000 1.859 54 E CB -0.581 29.160 29.700 0.067 0.000 1.665 54 E HN 0.795 nan 8.360 nan 0.000 0.299 55 D N 1.908 122.329 120.400 0.035 0.000 2.503 55 D HA 0.160 4.801 4.640 0.001 0.000 0.218 55 D C 0.029 176.365 176.300 0.061 0.000 1.183 55 D CA 0.068 54.094 54.000 0.043 0.000 0.827 55 D CB 0.154 41.015 40.800 0.102 0.000 1.034 55 D HN 0.367 nan 8.370 nan 0.000 0.510 56 E N -0.403 119.818 120.200 0.034 0.000 2.264 56 E HA 0.583 4.933 4.350 0.001 0.000 0.260 56 E C -1.066 175.543 176.600 0.016 0.000 0.961 56 E CA -0.899 55.604 56.400 0.172 0.000 0.834 56 E CB 1.538 31.385 29.700 0.244 0.000 1.230 56 E HN -0.093 nan 8.360 nan 0.000 0.412 57 F N 0.528 120.637 119.950 0.265 0.000 2.507 57 F HA 0.311 4.839 4.527 0.001 0.000 0.328 57 F C -1.029 174.886 175.800 0.191 0.000 1.136 57 F CA -0.731 57.417 58.000 0.247 0.000 0.930 57 F CB 0.975 40.069 39.000 0.156 0.000 1.166 57 F HN 0.336 nan 8.300 nan 0.000 0.436 58 W N 3.625 124.877 121.300 -0.080 0.000 2.357 58 W HA 0.528 5.188 4.660 0.000 0.000 0.317 58 W C -0.628 175.951 176.519 0.100 0.000 1.101 58 W CA -0.661 56.599 57.345 -0.141 0.000 1.380 58 W CB 1.021 29.880 29.460 -1.003 0.000 1.266 58 W HN 0.352 nan 8.180 nan 0.000 0.419 59 C N 3.088 122.573 119.300 0.308 0.000 2.350 59 C HA 0.630 5.091 4.460 0.001 0.000 0.348 59 C C 1.087 175.902 174.990 -0.292 0.000 1.260 59 C CA -0.801 58.267 59.018 0.082 0.000 1.966 59 C CB 0.259 27.992 27.740 -0.012 0.000 2.380 59 C HN 0.708 nan 8.230 nan 0.000 0.535 60 A N 3.184 125.689 122.820 -0.524 0.000 3.091 60 A HA 0.637 4.958 4.320 0.001 0.000 0.264 60 A C 0.703 178.005 177.584 -0.470 0.000 1.673 60 A CA 0.563 51.977 52.037 -1.038 0.000 1.362 60 A CB -0.862 17.877 19.000 -0.435 0.000 1.137 60 A HN 1.480 nan 8.150 nan 0.000 0.617 61 G N 0.157 108.726 108.800 -0.385 0.000 2.333 61 G HA2 0.302 4.263 3.960 0.001 0.000 0.288 61 G HA3 0.302 4.263 3.960 0.001 0.000 0.288 61 G C -1.378 173.473 174.900 -0.082 0.000 1.286 61 G CA -1.031 43.980 45.100 -0.149 0.000 0.865 61 G HN 0.274 nan 8.290 nan 0.000 0.506 62 K N 0.273 120.653 120.400 -0.034 0.000 2.263 62 K HA 0.589 4.910 4.320 0.001 0.000 0.272 62 K C -0.911 175.689 176.600 0.001 0.000 1.033 62 K CA -0.519 55.766 56.287 -0.005 0.000 0.884 62 K CB 2.127 34.630 32.500 0.004 0.000 1.107 62 K HN 0.266 nan 8.250 nan 0.000 0.460 63 V N 3.493 123.428 119.914 0.036 0.000 2.407 63 V HA 0.119 4.240 4.120 0.001 0.000 0.291 63 V C 0.672 176.817 176.094 0.085 0.000 1.018 63 V CA -0.536 61.800 62.300 0.059 0.000 0.842 63 V CB 1.309 33.181 31.823 0.081 0.000 0.996 63 V HN 0.808 nan 8.190 nan 0.000 0.426 64 E N 2.346 122.574 120.200 0.047 0.000 2.385 64 E HA 0.063 4.414 4.350 0.001 0.000 0.194 64 E C 0.307 176.932 176.600 0.041 0.000 1.013 64 E CA 0.070 56.487 56.400 0.030 0.000 0.866 64 E CB 0.364 30.070 29.700 0.010 0.000 0.832 64 E HN 0.593 nan 8.360 nan 0.000 0.500 65 K N 1.578 122.024 120.400 0.076 0.000 2.469 65 K HA -0.023 4.297 4.320 0.001 0.000 0.274 65 K C 0.284 176.936 176.600 0.086 0.000 0.983 65 K CA 0.136 56.475 56.287 0.087 0.000 0.974 65 K CB 0.538 33.100 32.500 0.103 0.000 0.913 65 K HN 0.014 nan 8.250 nan 0.000 0.493 66 D N 0.841 121.269 120.400 0.047 0.000 2.289 66 D HA -0.036 4.605 4.640 0.001 0.000 0.207 66 D C -0.161 176.140 176.300 0.001 0.000 0.966 66 D CA 1.202 55.198 54.000 -0.007 0.000 0.868 66 D CB 0.429 41.228 40.800 -0.002 0.000 0.943 66 D HN 0.506 nan 8.370 nan 0.000 0.514 67 T N 0.729 115.330 114.554 0.079 0.000 3.293 67 T HA 0.389 4.740 4.350 0.001 0.000 0.320 67 T C -0.167 174.552 174.700 0.031 0.000 0.995 67 T CA -0.641 61.464 62.100 0.008 0.000 1.041 67 T CB 1.821 70.678 68.868 -0.019 0.000 1.058 67 T HN -0.137 nan 8.240 nan 0.000 0.453 68 L N 2.909 124.123 121.223 -0.016 0.000 2.325 68 L HA 0.608 4.949 4.340 0.001 0.000 0.279 68 L C -1.009 175.687 176.870 -0.291 0.000 1.054 68 L CA -1.079 53.706 54.840 -0.090 0.000 0.804 68 L CB 1.001 42.931 42.059 -0.215 0.000 1.200 68 L HN 0.656 nan 8.230 nan 0.000 0.436 69 Y N 2.940 123.197 120.300 -0.071 0.000 2.331 69 Y HA 0.531 5.082 4.550 0.002 0.000 0.334 69 Y C -0.342 175.501 175.900 -0.094 0.000 0.960 69 Y CA -0.516 57.541 58.100 -0.070 0.000 1.130 69 Y CB 1.610 40.038 38.460 -0.053 0.000 1.164 69 Y HN 0.318 nan 8.280 nan 0.000 0.458 70 L N 3.509 124.738 121.223 0.010 0.000 2.329 70 L HA 0.711 5.052 4.340 0.001 0.000 0.279 70 L C -0.187 176.687 176.870 0.006 0.000 1.014 70 L CA -0.607 54.212 54.840 -0.034 0.000 0.814 70 L CB 1.919 43.914 42.059 -0.106 0.000 1.257 70 L HN 0.532 nan 8.230 nan 0.000 0.424 71 T N 2.937 117.493 114.554 0.003 0.000 2.855 71 T HA 0.550 4.901 4.350 0.001 0.000 0.281 71 T C -0.551 174.167 174.700 0.029 0.000 1.007 71 T CA -0.502 61.609 62.100 0.019 0.000 1.009 71 T CB 2.154 71.029 68.868 0.012 0.000 0.983 71 T HN 0.143 nan 8.240 nan 0.000 0.455 72 L N 2.084 123.330 121.223 0.039 0.000 2.376 72 L HA 0.484 4.824 4.340 0.001 0.000 0.267 72 L C 1.822 178.723 176.870 0.052 0.000 1.035 72 L CA -0.143 54.731 54.840 0.056 0.000 0.800 72 L CB 1.280 43.374 42.059 0.058 0.000 1.290 72 L HN 0.822 nan 8.230 nan 0.000 0.462 73 S N 0.985 116.720 115.700 0.059 0.000 2.400 73 S HA -0.200 4.271 4.470 0.001 0.000 0.232 73 S C 1.015 175.628 174.600 0.022 0.000 1.025 73 S CA 1.412 59.634 58.200 0.037 0.000 0.993 73 S CB -0.799 62.408 63.200 0.013 0.000 0.808 73 S HN 0.815 nan 8.310 nan 0.000 0.478 74 N N 0.870 119.587 118.700 0.027 0.000 2.322 74 N HA 0.326 5.066 4.740 0.001 0.000 0.194 74 N C 1.219 176.740 175.510 0.018 0.000 1.126 74 N CA 0.615 53.677 53.050 0.020 0.000 0.845 74 N CB -0.196 38.306 38.487 0.025 0.000 0.976 74 N HN 0.534 nan 8.380 nan 0.000 0.475 75 G N -0.188 108.626 108.800 0.022 0.000 2.267 75 G HA2 -0.406 3.555 3.960 0.001 0.000 0.257 75 G HA3 -0.406 3.555 3.960 0.001 0.000 0.257 75 G C -0.109 174.804 174.900 0.021 0.000 0.998 75 G CA 0.328 45.439 45.100 0.018 0.000 0.620 75 G HN 0.680 nan 8.290 nan 0.000 0.529 76 E N 0.558 120.774 120.200 0.027 0.000 2.568 76 E HA 0.233 4.583 4.350 0.001 0.000 0.262 76 E C 0.163 176.785 176.600 0.036 0.000 0.961 76 E CA 0.186 56.606 56.400 0.033 0.000 0.945 76 E CB 0.048 29.773 29.700 0.041 0.000 0.924 76 E HN 0.452 nan 8.360 nan 0.000 0.467 77 I N 4.683 125.276 120.570 0.038 0.000 2.362 77 I HA 0.205 4.376 4.170 0.001 0.000 0.289 77 I C -0.687 175.450 176.117 0.034 0.000 0.994 77 I CA -0.935 60.395 61.300 0.050 0.000 1.158 77 I CB 1.760 39.806 38.000 0.077 0.000 1.315 77 I HN 0.218 nan 8.210 nan 0.000 0.451 78 V N 6.028 125.950 119.914 0.013 0.000 2.370 78 V HA 0.273 4.394 4.120 0.001 0.000 0.283 78 V C 0.077 176.110 176.094 -0.102 0.000 1.023 78 V CA -0.560 61.720 62.300 -0.033 0.000 0.857 78 V CB 1.567 33.373 31.823 -0.029 0.000 0.985 78 V HN 0.713 nan 8.190 nan 0.000 0.443 79 E N 5.041 125.143 120.200 -0.164 0.000 2.197 79 E HA 0.618 4.969 4.350 0.001 0.000 0.281 79 E C -1.508 174.951 176.600 -0.234 0.000 0.995 79 E CA -0.591 55.599 56.400 -0.349 0.000 0.808 79 E CB 1.270 30.730 29.700 -0.400 0.000 1.093 79 E HN 0.594 nan 8.360 nan 0.000 0.394 80 L N 4.128 125.220 121.223 -0.218 0.000 2.365 80 L HA 0.483 4.824 4.340 0.001 0.000 0.273 80 L C -0.165 176.717 176.870 0.020 0.000 1.000 80 L CA -0.998 53.833 54.840 -0.015 0.000 0.819 80 L CB 1.698 43.838 42.059 0.134 0.000 1.284 80 L HN 0.280 nan 8.230 nan 0.000 0.418 81 K N 2.538 122.921 120.400 -0.028 0.000 2.227 81 K HA 0.300 4.620 4.320 0.001 0.000 0.280 81 K C -0.231 176.172 176.600 -0.329 0.000 1.041 81 K CA -0.750 55.465 56.287 -0.120 0.000 0.905 81 K CB 1.682 34.121 32.500 -0.101 0.000 1.068 81 K HN 0.514 nan 8.250 nan 0.000 0.470 82 R N 2.674 122.837 120.500 -0.562 0.000 2.513 82 R HA -0.044 4.296 4.340 0.001 0.000 0.333 82 R C 0.459 176.406 176.300 -0.589 0.000 0.925 82 R CA -0.029 55.417 56.100 -1.089 0.000 1.072 82 R CB 0.149 30.036 30.300 -0.687 0.000 0.914 82 R HN 0.459 nan 8.270 nan 0.000 0.408 83 V N 3.996 123.576 119.914 -0.557 0.000 3.235 83 V HA 0.236 4.356 4.120 0.001 0.000 0.259 83 V C 1.234 177.184 176.094 -0.240 0.000 1.133 83 V CA 0.956 63.084 62.300 -0.287 0.000 1.128 83 V CB -0.858 30.854 31.823 -0.185 0.000 0.757 83 V HN 1.113 nan 8.190 nan 0.000 0.469 84 G N 0.243 108.870 108.800 -0.288 0.000 2.353 84 G HA2 -0.042 3.919 3.960 0.001 0.000 0.615 84 G HA3 -0.042 3.919 3.960 0.001 0.000 0.615 84 G C -1.042 173.754 174.900 -0.173 0.000 1.280 84 G CA -0.842 44.144 45.100 -0.189 0.000 1.000 84 G HN 0.253 nan 8.290 nan 0.000 0.516 85 E N 0.770 120.907 120.200 -0.106 0.000 2.197 85 E HA 0.515 4.866 4.350 0.001 0.000 0.281 85 E C -0.217 176.348 176.600 -0.057 0.000 0.995 85 E CA -0.388 55.969 56.400 -0.072 0.000 0.808 85 E CB 1.464 31.156 29.700 -0.014 0.000 1.093 85 E HN 0.514 nan 8.360 nan 0.000 0.394 86 E N 2.053 122.213 120.200 -0.068 0.000 2.416 86 E HA 0.329 4.680 4.350 0.001 0.000 0.273 86 E C -0.988 175.729 176.600 0.196 0.000 0.935 86 E CA -0.870 55.541 56.400 0.018 0.000 0.784 86 E CB 1.724 31.381 29.700 -0.072 0.000 1.301 86 E HN 0.316 nan 8.360 nan 0.000 0.454 87 E N 0.933 121.295 120.200 0.269 0.000 2.146 87 E HA 0.169 4.520 4.350 0.001 0.000 0.282 87 E C -1.204 175.624 176.600 0.380 0.000 0.989 87 E CA -0.558 56.029 56.400 0.311 0.000 0.799 87 E CB 0.721 30.528 29.700 0.178 0.000 1.088 87 E HN 0.268 nan 8.360 nan 0.000 0.397 88 F N 4.150 124.262 119.950 0.270 0.000 2.538 88 F HA 0.026 4.554 4.527 0.002 0.000 0.382 88 F C 0.429 176.184 175.800 -0.074 0.000 1.069 88 F CA 0.072 58.086 58.000 0.024 0.000 1.138 88 F CB 0.302 39.225 39.000 -0.128 0.000 1.068 88 F HN 0.327 nan 8.300 nan 0.000 0.556 89 R N 4.984 125.021 120.500 -0.772 0.000 2.702 89 R HA 0.308 4.649 4.340 0.001 0.000 0.314 89 R C 0.624 176.395 176.300 -0.881 0.000 1.152 89 R CA 0.349 56.073 56.100 -0.626 0.000 1.097 89 R CB -0.418 29.704 30.300 -0.296 0.000 1.343 89 R HN 0.996 nan 8.270 nan 0.000 0.575 90 G N 0.644 108.391 108.800 -1.756 0.000 2.757 90 G HA2 -0.263 3.698 3.960 0.001 0.000 0.638 90 G HA3 -0.263 3.698 3.960 0.001 0.000 0.638 90 G C -0.632 173.700 174.900 -0.946 0.000 1.344 90 G CA -0.863 43.508 45.100 -1.215 0.000 0.855 90 G HN 0.165 nan 8.290 nan 0.000 0.537 91 F N -0.793 119.093 119.950 -0.107 0.000 2.483 91 F HA 0.664 5.192 4.527 0.001 0.000 0.329 91 F C 1.473 177.250 175.800 -0.037 0.000 1.064 91 F CA -0.879 57.025 58.000 -0.159 0.000 0.986 91 F CB 1.696 40.542 39.000 -0.257 0.000 1.218 91 F HN 0.431 nan 8.300 nan 0.000 0.484 92 Q N 0.180 120.034 119.800 0.089 0.000 2.198 92 Q HA 0.300 4.640 4.340 0.001 0.000 0.209 92 Q C -0.610 175.453 176.000 0.104 0.000 0.848 92 Q CA -0.026 55.822 55.803 0.076 0.000 0.974 92 Q CB 0.291 29.020 28.738 -0.014 0.000 1.115 92 Q HN 0.497 nan 8.270 nan 0.000 0.494 93 N N -0.081 118.679 118.700 0.100 0.000 2.823 93 N HA 0.026 4.767 4.740 0.001 0.000 0.251 93 N C 0.133 175.538 175.510 -0.175 0.000 1.392 93 N CA -0.354 52.699 53.050 0.006 0.000 0.864 93 N CB 1.337 39.764 38.487 -0.100 0.000 1.481 93 N HN 0.025 nan 8.380 nan 0.000 0.508 94 E N 0.076 120.209 120.200 -0.111 0.000 2.208 94 E HA -0.119 4.232 4.350 0.001 0.000 0.193 94 E C 1.185 177.574 176.600 -0.352 0.000 0.988 94 E CA 0.732 56.950 56.400 -0.304 0.000 0.828 94 E CB 0.632 30.293 29.700 -0.064 0.000 0.763 94 E HN 0.411 nan 8.360 nan 0.000 0.478 95 R N 1.246 121.612 120.500 -0.222 0.000 2.062 95 R HA -0.099 4.242 4.340 0.001 0.000 0.229 95 R C 2.144 178.319 176.300 -0.208 0.000 1.128 95 R CA 1.366 57.370 56.100 -0.159 0.000 0.960 95 R CB 0.072 30.329 30.300 -0.072 0.000 0.855 95 R HN 0.191 nan 8.270 nan 0.000 0.432 96 E N 0.010 120.037 120.200 -0.287 0.000 2.033 96 E HA -0.303 4.048 4.350 0.001 0.000 0.199 96 E C 2.175 178.430 176.600 -0.574 0.000 1.011 96 E CA 1.571 57.743 56.400 -0.379 0.000 0.815 96 E CB -0.455 28.863 29.700 -0.636 0.000 0.755 96 E HN 0.386 nan 8.360 nan 0.000 0.451 97 C N 1.228 119.856 119.300 -1.120 0.000 2.398 97 C HA -0.225 4.235 4.460 0.001 0.000 0.276 97 C C 2.856 177.551 174.990 -0.490 0.000 1.222 97 C CA 1.602 59.731 59.018 -1.482 0.000 1.746 97 C CB -0.893 25.807 27.740 -1.733 0.000 2.039 97 C HN 0.462 nan 8.230 nan 0.000 0.470 98 Q N -0.161 119.429 119.800 -0.350 0.000 2.096 98 Q HA -0.252 4.089 4.340 0.001 0.000 0.204 98 Q C 2.075 178.069 176.000 -0.011 0.000 0.982 98 Q CA 2.176 57.901 55.803 -0.131 0.000 0.850 98 Q CB -0.144 28.516 28.738 -0.130 0.000 0.901 98 Q HN 0.754 nan 8.270 nan 0.000 0.422 99 E N -0.014 120.184 120.200 -0.002 0.000 2.058 99 E HA -0.218 4.133 4.350 0.001 0.000 0.194 99 E C 1.909 178.599 176.600 0.151 0.000 0.997 99 E CA 1.288 57.746 56.400 0.098 0.000 0.801 99 E CB -0.067 29.749 29.700 0.194 0.000 0.746 99 E HN 0.231 nan 8.360 nan 0.000 0.450 100 L N -0.304 121.079 121.223 0.268 0.000 2.056 100 L HA -0.123 4.217 4.340 0.001 0.000 0.207 100 L C 1.999 179.111 176.870 0.403 0.000 1.078 100 L CA 1.290 56.386 54.840 0.428 0.000 0.749 100 L CB -0.335 42.121 42.059 0.661 0.000 0.901 100 L HN 0.130 nan 8.230 nan 0.000 0.433 101 F N 0.463 120.472 119.950 0.098 0.000 2.046 101 F HA -0.282 4.245 4.527 0.001 0.000 0.297 101 F C 2.641 178.310 175.800 -0.219 0.000 1.123 101 F CA 1.826 59.650 58.000 -0.293 0.000 1.199 101 F CB -0.317 38.416 39.000 -0.445 0.000 0.972 101 F HN -0.048 nan 8.300 nan 0.000 0.474 102 R N -0.024 120.450 120.500 -0.044 0.000 2.117 102 R HA -0.201 4.140 4.340 0.001 0.000 0.243 102 R C 1.820 177.957 176.300 -0.272 0.000 1.143 102 R CA 1.618 57.624 56.100 -0.155 0.000 0.968 102 R CB -0.656 29.593 30.300 -0.085 0.000 0.863 102 R HN 0.337 nan 8.270 nan 0.000 0.444 103 D N -0.091 120.131 120.400 -0.297 0.000 2.144 103 D HA -0.108 4.533 4.640 0.001 0.000 0.200 103 D C 1.660 177.747 176.300 -0.355 0.000 0.978 103 D CA 1.093 54.755 54.000 -0.564 0.000 0.833 103 D CB -0.168 40.228 40.800 -0.675 0.000 0.961 103 D HN 0.106 nan 8.370 nan 0.000 0.470 104 F N 0.893 120.647 119.950 -0.326 0.000 2.134 104 F HA -0.081 4.447 4.527 0.001 0.000 0.299 104 F C 2.401 177.915 175.800 -0.477 0.000 1.097 104 F CA 0.623 58.387 58.000 -0.393 0.000 1.264 104 F CB -0.435 38.254 39.000 -0.519 0.000 1.001 104 F HN -0.078 nan 8.300 nan 0.000 0.479 105 L N -0.772 120.171 121.223 -0.468 0.000 2.043 105 L HA -0.293 4.048 4.340 0.001 0.000 0.212 105 L C 2.337 179.050 176.870 -0.263 0.000 1.075 105 L CA 1.846 56.387 54.840 -0.497 0.000 0.752 105 L CB -1.374 40.349 42.059 -0.560 0.000 0.891 105 L HN 0.178 nan 8.230 nan 0.000 0.432 106 T N -0.918 113.532 114.554 -0.175 0.000 2.770 106 T HA -0.169 4.182 4.350 0.001 0.000 0.263 106 T C 1.942 176.667 174.700 0.042 0.000 1.039 106 T CA 0.957 63.043 62.100 -0.025 0.000 1.142 106 T CB -0.089 68.808 68.868 0.050 0.000 0.868 106 T HN 0.188 nan 8.240 nan 0.000 0.435 107 K N 0.586 121.027 120.400 0.068 0.000 2.360 107 K HA -0.073 4.247 4.320 0.001 0.000 0.201 107 K C 1.634 178.194 176.600 -0.067 0.000 1.046 107 K CA 1.029 57.325 56.287 0.015 0.000 0.945 107 K CB -0.027 32.439 32.500 -0.058 0.000 0.750 107 K HN 0.306 nan 8.250 nan 0.000 0.464 108 T N -0.100 114.398 114.554 -0.093 0.000 3.004 108 T HA 0.085 4.436 4.350 0.001 0.000 0.243 108 T C 0.100 174.768 174.700 -0.053 0.000 1.020 108 T CA 0.357 62.406 62.100 -0.084 0.000 1.145 108 T CB 0.224 69.014 68.868 -0.131 0.000 0.876 108 T HN 0.216 nan 8.240 nan 0.000 0.449 109 K N -0.185 120.176 120.400 -0.065 0.000 3.424 109 K HA -0.153 4.167 4.320 0.001 0.000 0.297 109 K C 1.172 177.766 176.600 -0.010 0.000 1.365 109 K CA 0.349 56.620 56.287 -0.027 0.000 0.889 109 K CB -2.322 30.175 32.500 -0.005 0.000 1.455 109 K HN 0.243 nan 8.250 nan 0.000 0.483 110 V N 0.141 120.020 119.914 -0.058 0.000 2.252 110 V HA -0.336 3.785 4.120 0.001 0.000 0.249 110 V C 2.393 178.552 176.094 0.109 0.000 1.056 110 V CA 2.227 64.523 62.300 -0.005 0.000 1.022 110 V CB -0.501 31.239 31.823 -0.139 0.000 0.641 110 V HN 0.382 nan 8.190 nan 0.000 0.445 111 K N 0.168 120.600 120.400 0.053 0.000 2.057 111 K HA -0.217 4.104 4.320 0.001 0.000 0.206 111 K C 1.862 178.562 176.600 0.168 0.000 1.050 111 K CA 1.813 58.210 56.287 0.183 0.000 0.935 111 K CB -0.315 32.235 32.500 0.083 0.000 0.715 111 K HN 0.498 nan 8.250 nan 0.000 0.439 112 D N 0.600 121.047 120.400 0.078 0.000 2.137 112 D HA -0.220 4.421 4.640 0.001 0.000 0.189 112 D C 1.763 178.105 176.300 0.071 0.000 0.998 112 D CA 1.620 55.652 54.000 0.054 0.000 0.839 112 D CB 0.020 40.837 40.800 0.028 0.000 0.962 112 D HN 0.161 nan 8.370 nan 0.000 0.446 113 K N -0.833 119.621 120.400 0.090 0.000 2.097 113 K HA -0.148 4.173 4.320 0.001 0.000 0.206 113 K C 2.148 178.830 176.600 0.137 0.000 1.049 113 K CA 0.728 57.073 56.287 0.096 0.000 0.933 113 K CB -0.300 32.259 32.500 0.099 0.000 0.717 113 K HN 0.139 nan 8.250 nan 0.000 0.442 114 F N 1.708 121.712 119.950 0.089 0.000 2.171 114 F HA -0.121 4.407 4.527 0.001 0.000 0.300 114 F C 1.621 177.477 175.800 0.094 0.000 1.090 114 F CA 1.298 59.358 58.000 0.100 0.000 1.293 114 F CB -0.069 38.987 39.000 0.092 0.000 1.013 114 F HN -0.039 nan 8.300 nan 0.000 0.486 115 I N -0.026 120.510 120.570 -0.058 0.000 2.756 115 I HA -0.242 3.929 4.170 0.001 0.000 0.262 115 I C 1.996 178.071 176.117 -0.070 0.000 1.225 115 I CA 1.043 62.273 61.300 -0.117 0.000 1.472 115 I CB -0.647 37.361 38.000 0.014 0.000 1.094 115 I HN 0.212 nan 8.210 nan 0.000 0.454 116 S N 0.501 116.174 115.700 -0.044 0.000 2.327 116 S HA -0.087 4.384 4.470 0.001 0.000 0.213 116 S C 1.544 176.142 174.600 -0.002 0.000 1.032 116 S CA 0.635 58.836 58.200 0.001 0.000 0.960 116 S CB -0.437 62.767 63.200 0.006 0.000 0.900 116 S HN 0.349 nan 8.310 nan 0.000 0.469 117 D N 1.134 121.511 120.400 -0.038 0.000 2.158 117 D HA -0.082 4.559 4.640 0.001 0.000 0.197 117 D C 1.358 177.561 176.300 -0.161 0.000 0.995 117 D CA 1.058 55.028 54.000 -0.049 0.000 0.846 117 D CB -0.367 40.447 40.800 0.024 0.000 0.941 117 D HN 0.359 nan 8.370 nan 0.000 0.456 118 F N -0.411 119.267 119.950 -0.454 0.000 2.743 118 F HA 0.017 4.545 4.527 0.001 0.000 0.297 118 F C 1.874 177.369 175.800 -0.508 0.000 1.131 118 F CA -0.210 57.405 58.000 -0.642 0.000 1.426 118 F CB 0.064 38.420 39.000 -1.073 0.000 1.116 118 F HN -0.121 nan 8.300 nan 0.000 0.583 119 Y N 0.840 121.000 120.300 -0.234 0.000 2.114 119 Y HA -0.133 4.418 4.550 0.001 0.000 0.284 119 Y C 2.356 178.187 175.900 -0.116 0.000 1.119 119 Y CA 1.831 59.880 58.100 -0.085 0.000 1.108 119 Y CB -0.568 37.879 38.460 -0.022 0.000 0.995 119 Y HN -0.194 nan 8.280 nan 0.000 0.491 120 K N 0.566 120.939 120.400 -0.045 0.000 2.097 120 K HA -0.350 3.970 4.320 0.001 0.000 0.214 120 K C 2.224 178.666 176.600 -0.265 0.000 1.052 120 K CA 2.358 58.576 56.287 -0.115 0.000 0.932 120 K CB -0.336 32.152 32.500 -0.020 0.000 0.716 120 K HN 0.331 nan 8.250 nan 0.000 0.455 121 K N 0.320 120.492 120.400 -0.381 0.000 1.987 121 K HA -0.209 4.111 4.320 0.001 0.000 0.216 121 K C 2.034 178.439 176.600 -0.324 0.000 1.051 121 K CA 1.907 57.926 56.287 -0.446 0.000 0.942 121 K CB -0.261 31.766 32.500 -0.788 0.000 0.722 121 K HN -0.057 nan 8.250 nan 0.000 0.444 122 F N 1.556 121.237 119.950 -0.449 0.000 2.085 122 F HA -0.225 4.302 4.527 0.001 0.000 0.299 122 F C 2.559 178.180 175.800 -0.298 0.000 1.096 122 F CA 1.597 59.392 58.000 -0.340 0.000 1.227 122 F CB -0.938 37.909 39.000 -0.255 0.000 0.983 122 F HN 0.151 nan 8.300 nan 0.000 0.482 123 R N 0.198 120.587 120.500 -0.185 0.000 2.094 123 R HA -0.204 4.137 4.340 0.001 0.000 0.239 123 R C 1.972 178.215 176.300 -0.096 0.000 1.137 123 R CA 1.858 57.858 56.100 -0.166 0.000 0.943 123 R CB -0.635 29.543 30.300 -0.204 0.000 0.850 123 R HN 0.300 nan 8.270 nan 0.000 0.433 124 D N 0.079 120.421 120.400 -0.097 0.000 2.182 124 D HA -0.176 4.464 4.640 0.001 0.000 0.201 124 D C 1.644 177.908 176.300 -0.061 0.000 0.986 124 D CA 1.169 55.127 54.000 -0.070 0.000 0.847 124 D CB -0.008 40.748 40.800 -0.073 0.000 0.942 124 D HN 0.237 nan 8.370 nan 0.000 0.467 125 K N 0.242 120.608 120.400 -0.056 0.000 2.243 125 K HA 0.026 4.347 4.320 0.001 0.000 0.201 125 K C 2.166 178.720 176.600 -0.078 0.000 1.051 125 K CA 0.163 56.419 56.287 -0.052 0.000 0.970 125 K CB 0.210 32.698 32.500 -0.020 0.000 0.755 125 K HN 0.178 nan 8.250 nan 0.000 0.465 126 I N 0.753 121.268 120.570 -0.092 0.000 2.676 126 I HA -0.098 4.073 4.170 0.001 0.000 0.259 126 I C 0.451 176.510 176.117 -0.096 0.000 1.194 126 I CA 0.532 61.765 61.300 -0.111 0.000 1.473 126 I CB -0.332 37.595 38.000 -0.121 0.000 1.096 126 I HN -0.137 nan 8.210 nan 0.000 0.443 127 T N 3.589 118.096 114.554 -0.078 0.000 2.754 127 T HA 0.284 4.635 4.350 0.001 0.000 0.282 127 T C 0.088 174.750 174.700 -0.063 0.000 0.923 127 T CA 0.017 62.076 62.100 -0.068 0.000 1.164 127 T CB 0.464 69.301 68.868 -0.051 0.000 0.873 127 T HN -0.091 nan 8.240 nan 0.000 0.537 128 V N 3.365 123.239 119.914 -0.067 0.000 2.994 128 V HA 0.350 4.471 4.120 0.001 0.000 0.318 128 V C 0.356 176.419 176.094 -0.052 0.000 1.085 128 V CA -1.277 60.988 62.300 -0.058 0.000 0.998 128 V CB 1.960 33.746 31.823 -0.062 0.000 1.063 128 V HN 0.710 nan 8.190 nan 0.000 0.447 129 Q N 1.037 120.811 119.800 -0.043 0.000 2.327 129 Q HA 0.492 4.833 4.340 0.001 0.000 0.254 129 Q C 0.554 176.530 176.000 -0.039 0.000 0.952 129 Q CA 0.843 56.623 55.803 -0.038 0.000 0.884 129 Q CB 1.104 29.823 28.738 -0.031 0.000 1.224 129 Q HN 1.208 nan 8.270 nan 0.000 0.422 130 G N 1.983 110.761 108.800 -0.037 0.000 2.797 130 G HA2 -0.322 3.639 3.960 0.001 0.000 0.686 130 G HA3 -0.322 3.639 3.960 0.001 0.000 0.686 130 G C -0.622 174.251 174.900 -0.044 0.000 1.452 130 G CA -0.177 44.901 45.100 -0.036 0.000 0.986 130 G HN 0.778 nan 8.290 nan 0.000 0.595 131 K N 0.270 120.645 120.400 -0.043 0.000 3.264 131 K HA -0.301 4.020 4.320 0.001 0.000 0.267 131 K C 1.750 178.310 176.600 -0.067 0.000 0.886 131 K CA 1.041 57.298 56.287 -0.050 0.000 0.665 131 K CB -0.980 31.493 32.500 -0.046 0.000 1.447 131 K HN 0.739 nan 8.250 nan 0.000 0.464 132 N N 0.727 119.383 118.700 -0.073 0.000 2.080 132 N HA -0.144 4.597 4.740 0.001 0.000 0.189 132 N C 1.005 176.437 175.510 -0.130 0.000 1.036 132 N CA 1.005 53.997 53.050 -0.097 0.000 0.846 132 N CB -0.133 38.301 38.487 -0.088 0.000 1.015 132 N HN 0.317 nan 8.380 nan 0.000 0.423 133 R N 0.199 120.628 120.500 -0.119 0.000 3.943 133 R HA -0.177 4.164 4.340 0.001 0.000 0.368 133 R C -0.474 175.664 176.300 -0.270 0.000 0.242 133 R CA 1.849 57.865 56.100 -0.141 0.000 1.197 133 R CB -0.884 29.345 30.300 -0.118 0.000 0.990 133 R HN 0.286 nan 8.270 nan 0.000 0.565 134 K N 0.971 121.145 120.400 -0.377 0.000 2.984 134 K HA 0.310 4.631 4.320 0.001 0.000 0.211 134 K C -1.388 174.751 176.600 -0.768 0.000 1.174 134 K CA -0.210 55.614 56.287 -0.771 0.000 0.978 134 K CB 0.952 33.261 32.500 -0.318 0.000 1.212 134 K HN 0.198 nan 8.250 nan 0.000 0.589 135 I N 0.736 120.843 120.570 -0.771 0.000 2.382 135 I HA 0.424 4.595 4.170 0.001 0.000 0.286 135 I C 0.084 176.145 176.117 -0.094 0.000 1.002 135 I CA -0.835 60.279 61.300 -0.311 0.000 1.135 135 I CB 1.888 39.778 38.000 -0.183 0.000 1.288 135 I HN 0.264 nan 8.210 nan 0.000 0.448 136 A N 6.106 129.090 122.820 0.272 0.000 2.301 136 A HA 0.826 5.147 4.320 0.001 0.000 0.312 136 A C -0.880 176.891 177.584 0.311 0.000 1.182 136 A CA -0.494 51.859 52.037 0.526 0.000 0.826 136 A CB 0.917 20.291 19.000 0.625 0.000 1.134 136 A HN 0.672 nan 8.150 nan 0.000 0.501 137 L N 3.557 124.979 121.223 0.331 0.000 2.318 137 L HA 0.566 4.907 4.340 0.001 0.000 0.277 137 L C -1.206 175.932 176.870 0.447 0.000 1.008 137 L CA -0.213 54.789 54.840 0.270 0.000 0.846 137 L CB 0.845 42.953 42.059 0.082 0.000 1.220 137 L HN 0.562 nan 8.230 nan 0.000 0.423 138 I N 7.852 128.647 120.570 0.375 0.000 2.297 138 I HA 0.358 4.528 4.170 0.001 0.000 0.291 138 I C -2.057 174.229 176.117 0.283 0.000 1.033 138 I CA -1.772 59.723 61.300 0.325 0.000 1.253 138 I CB 1.083 39.185 38.000 0.171 0.000 1.396 138 I HN 0.477 nan 8.210 nan 0.000 0.476 139 P HA 0.194 nan 4.420 nan 0.000 0.276 139 P C -1.055 176.217 177.300 -0.046 0.000 1.253 139 P CA -0.336 62.778 63.100 0.024 0.000 0.766 139 P CB 0.407 32.219 31.700 0.187 0.000 0.845 140 E N 1.657 121.759 120.200 -0.164 0.000 2.158 140 E HA 0.428 4.779 4.350 0.001 0.000 0.271 140 E C -0.783 175.762 176.600 -0.091 0.000 0.911 140 E CA -0.976 55.376 56.400 -0.080 0.000 0.767 140 E CB 1.609 31.272 29.700 -0.062 0.000 1.120 140 E HN 0.102 nan 8.360 nan 0.000 0.405 141 V N 3.603 123.506 119.914 -0.019 0.000 2.459 141 V HA 0.342 4.463 4.120 0.001 0.000 0.295 141 V C -0.276 175.807 176.094 -0.018 0.000 1.029 141 V CA -0.960 61.329 62.300 -0.017 0.000 0.874 141 V CB 1.453 33.304 31.823 0.048 0.000 0.985 141 V HN 0.635 nan 8.190 nan 0.000 0.438 142 N N 3.372 122.039 118.700 -0.056 0.000 2.319 142 N HA 0.688 5.428 4.740 0.001 0.000 0.305 142 N C -1.016 174.450 175.510 -0.073 0.000 1.103 142 N CA -0.711 52.297 53.050 -0.070 0.000 0.815 142 N CB 2.491 40.912 38.487 -0.111 0.000 1.288 142 N HN 0.722 nan 8.380 nan 0.000 0.493 143 E N 0.610 120.779 120.200 -0.051 0.000 2.361 143 E HA 0.328 4.679 4.350 0.001 0.000 0.270 143 E C -1.069 175.494 176.600 -0.062 0.000 0.911 143 E CA -0.552 55.836 56.400 -0.019 0.000 0.818 143 E CB 1.761 31.556 29.700 0.158 0.000 1.332 143 E HN 0.215 nan 8.360 nan 0.000 0.402 144 K N 1.256 121.584 120.400 -0.120 0.000 2.156 144 K HA 0.606 4.927 4.320 0.001 0.000 0.254 144 K C -0.541 176.039 176.600 -0.033 0.000 0.950 144 K CA -1.178 55.069 56.287 -0.066 0.000 0.849 144 K CB 2.299 34.770 32.500 -0.048 0.000 1.100 144 K HN 0.168 nan 8.250 nan 0.000 0.434 145 V N 4.782 124.652 119.914 -0.073 0.000 2.348 145 V HA 0.220 4.341 4.120 0.001 0.000 0.270 145 V C 0.223 176.308 176.094 -0.014 0.000 1.037 145 V CA -0.412 61.833 62.300 -0.092 0.000 0.872 145 V CB 0.185 31.872 31.823 -0.227 0.000 1.002 145 V HN 0.568 nan 8.190 nan 0.000 0.464 146 L N 3.988 125.244 121.223 0.055 0.000 2.578 146 L HA 0.717 5.058 4.340 0.001 0.000 0.259 146 L C -0.067 176.898 176.870 0.158 0.000 1.082 146 L CA -1.036 53.854 54.840 0.083 0.000 0.843 146 L CB 1.060 43.154 42.059 0.058 0.000 1.535 146 L HN 0.537 nan 8.230 nan 0.000 0.510 147 K N 0.050 120.527 120.400 0.128 0.000 2.507 147 K HA 0.364 4.684 4.320 0.001 0.000 0.251 147 K C -0.822 175.775 176.600 -0.004 0.000 0.943 147 K CA -0.411 55.940 56.287 0.108 0.000 0.794 147 K CB 1.968 34.552 32.500 0.140 0.000 1.188 147 K HN 0.562 nan 8.250 nan 0.000 0.428 148 S N 2.182 117.803 115.700 -0.131 0.000 2.585 148 S HA 0.014 4.485 4.470 0.001 0.000 0.273 148 S C 1.008 175.438 174.600 -0.283 0.000 1.339 148 S CA -0.015 58.051 58.200 -0.223 0.000 1.028 148 S CB 1.277 64.118 63.200 -0.599 0.000 0.906 148 S HN 0.906 nan 8.310 nan 0.000 0.528 149 E N 1.675 121.728 120.200 -0.245 0.000 2.118 149 E HA -0.205 4.146 4.350 0.001 0.000 0.195 149 E C 1.351 177.812 176.600 -0.231 0.000 0.992 149 E CA 1.541 57.818 56.400 -0.205 0.000 0.804 149 E CB -0.145 29.447 29.700 -0.179 0.000 0.741 149 E HN 0.881 nan 8.360 nan 0.000 0.458 150 E N -1.372 118.636 120.200 -0.321 0.000 2.516 150 E HA -0.043 4.308 4.350 0.001 0.000 0.199 150 E C 1.073 177.519 176.600 -0.257 0.000 1.069 150 E CA 0.315 56.576 56.400 -0.231 0.000 0.876 150 E CB 0.155 29.800 29.700 -0.091 0.000 0.843 150 E HN 0.520 nan 8.360 nan 0.000 0.530 151 G N 0.614 109.189 108.800 -0.376 0.000 2.258 151 G HA2 -0.299 3.662 3.960 0.001 0.000 0.233 151 G HA3 -0.299 3.662 3.960 0.001 0.000 0.233 151 G C 0.105 174.788 174.900 -0.362 0.000 1.006 151 G CA 0.255 45.174 45.100 -0.303 0.000 0.620 151 G HN 0.375 nan 8.290 nan 0.000 0.511 152 Y N 0.101 120.298 120.300 -0.172 0.000 2.301 152 Y HA 0.719 5.269 4.550 0.001 0.000 0.328 152 Y C 0.779 176.579 175.900 -0.167 0.000 1.242 152 Y CA -1.904 56.076 58.100 -0.200 0.000 1.323 152 Y CB 0.322 38.752 38.460 -0.051 0.000 1.266 152 Y HN 0.058 nan 8.280 nan 0.000 0.527 153 F N 1.232 121.318 119.950 0.227 0.000 2.403 153 F HA 0.482 5.009 4.527 0.001 0.000 0.320 153 F C 0.030 175.938 175.800 0.180 0.000 1.176 153 F CA -0.604 57.474 58.000 0.131 0.000 1.206 153 F CB 0.591 39.650 39.000 0.099 0.000 1.235 153 F HN 0.260 nan 8.300 nan 0.000 0.565 154 L N 2.837 124.253 121.223 0.322 0.000 2.438 154 L HA 0.332 4.673 4.340 0.001 0.000 0.270 154 L C -1.213 175.715 176.870 0.096 0.000 0.972 154 L CA -1.072 53.886 54.840 0.198 0.000 0.831 154 L CB 2.009 44.142 42.059 0.123 0.000 1.273 154 L HN 0.381 nan 8.230 nan 0.000 0.405 155 L N 3.913 125.179 121.223 0.073 0.000 2.315 155 L HA 0.286 4.627 4.340 0.001 0.000 0.283 155 L C -0.231 176.715 176.870 0.127 0.000 1.089 155 L CA 0.268 55.105 54.840 -0.005 0.000 0.833 155 L CB 0.123 42.121 42.059 -0.102 0.000 1.170 155 L HN 0.417 nan 8.230 nan 0.000 0.442 156 H N 5.924 124.977 119.070 -0.029 0.000 2.597 156 H HA 0.556 5.113 4.556 0.001 0.000 0.303 156 H C -1.578 173.749 175.328 -0.001 0.000 1.057 156 H CA -0.800 55.239 56.048 -0.015 0.000 1.261 156 H CB 1.065 30.806 29.762 -0.035 0.000 1.397 156 H HN 0.639 nan 8.280 nan 0.000 0.461 157 L N 5.534 126.938 121.223 0.301 0.000 2.410 157 L HA 0.571 4.912 4.340 0.001 0.000 0.270 157 L C -1.490 175.418 176.870 0.063 0.000 0.983 157 L CA -0.245 54.627 54.840 0.053 0.000 0.822 157 L CB 1.875 43.924 42.059 -0.016 0.000 1.285 157 L HN 0.728 nan 8.230 nan 0.000 0.409 158 D N 2.698 123.072 120.400 -0.043 0.000 2.692 158 D HA 0.552 5.193 4.640 0.001 0.000 0.290 158 D C -1.810 174.452 176.300 -0.063 0.000 1.281 158 D CA -0.226 53.772 54.000 -0.003 0.000 0.804 158 D CB 1.952 42.781 40.800 0.049 0.000 1.331 158 D HN 0.742 nan 8.370 nan 0.000 0.432 159 L N -1.729 119.470 121.223 -0.039 0.000 2.327 159 L HA 0.802 5.143 4.340 0.001 0.000 0.258 159 L C -0.937 175.866 176.870 -0.113 0.000 1.024 159 L CA -0.718 54.058 54.840 -0.107 0.000 0.825 159 L CB 2.591 44.566 42.059 -0.139 0.000 1.386 159 L HN 0.227 nan 8.230 nan 0.000 0.417 160 K N 0.431 120.670 120.400 -0.269 0.000 2.430 160 K HA 0.724 5.045 4.320 0.001 0.000 0.268 160 K C -1.941 174.288 176.600 -0.619 0.000 1.043 160 K CA -0.650 55.519 56.287 -0.197 0.000 0.899 160 K CB 2.445 34.924 32.500 -0.035 0.000 1.472 160 K HN 0.496 nan 8.250 nan 0.000 0.451 161 F N 0.694 120.700 119.950 0.093 0.000 2.556 161 F HA 0.494 5.022 4.527 0.001 0.000 0.314 161 F C -0.037 175.803 175.800 0.068 0.000 1.106 161 F CA -0.806 57.251 58.000 0.095 0.000 0.911 161 F CB 1.802 40.840 39.000 0.062 0.000 1.190 161 F HN 0.245 nan 8.300 nan 0.000 0.448 162 R N 2.615 123.249 120.500 0.223 0.000 2.732 162 R HA 0.842 5.182 4.340 0.001 0.000 0.278 162 R C -1.602 174.796 176.300 0.163 0.000 0.976 162 R CA -0.651 55.539 56.100 0.150 0.000 0.963 162 R CB 1.266 31.623 30.300 0.095 0.000 1.150 162 R HN 0.767 nan 8.270 nan 0.000 0.478 163 I N 3.587 124.227 120.570 0.117 0.000 2.502 163 I HA 0.231 4.402 4.170 0.001 0.000 0.276 163 I C -0.510 175.663 176.117 0.093 0.000 1.057 163 I CA -0.347 61.015 61.300 0.103 0.000 1.163 163 I CB 1.637 39.675 38.000 0.064 0.000 1.288 163 I HN 0.489 nan 8.210 nan 0.000 0.479 164 Q N 6.140 126.012 119.800 0.120 0.000 2.230 164 Q HA 0.444 4.785 4.340 0.001 0.000 0.248 164 Q C -2.359 173.736 176.000 0.159 0.000 0.915 164 Q CA -1.760 54.114 55.803 0.118 0.000 0.900 164 Q CB 1.183 29.984 28.738 0.105 0.000 1.229 164 Q HN 0.245 nan 8.270 nan 0.000 0.439 165 P HA 0.029 nan 4.420 nan 0.000 0.276 165 P C -0.410 177.070 177.300 0.301 0.000 1.244 165 P CA -0.007 63.194 63.100 0.168 0.000 0.801 165 P CB 0.471 32.254 31.700 0.140 0.000 1.006 166 F N -0.716 119.255 119.950 0.035 0.000 2.293 166 F HA -0.075 4.453 4.527 0.001 0.000 0.300 166 F C 1.065 176.870 175.800 0.008 0.000 1.086 166 F CA 0.562 58.576 58.000 0.024 0.000 1.375 166 F CB 0.114 39.130 39.000 0.027 0.000 1.045 166 F HN 0.298 nan 8.300 nan 0.000 0.516 167 E N 0.469 120.798 120.200 0.216 0.000 2.229 167 E HA 0.103 4.453 4.350 0.001 0.000 0.283 167 E C -0.109 176.523 176.600 0.054 0.000 1.030 167 E CA -0.187 56.279 56.400 0.110 0.000 0.836 167 E CB 1.264 31.019 29.700 0.092 0.000 1.068 167 E HN -0.181 nan 8.360 nan 0.000 0.401 168 T N 2.634 117.196 114.554 0.013 0.000 2.897 168 T HA 0.035 4.385 4.350 0.001 0.000 0.294 168 T C 1.034 175.701 174.700 -0.055 0.000 1.004 168 T CA -0.496 61.590 62.100 -0.024 0.000 1.106 168 T CB 0.488 69.335 68.868 -0.035 0.000 0.949 168 T HN 0.406 nan 8.240 nan 0.000 0.520 169 L N 4.212 125.390 121.223 -0.075 0.000 2.450 169 L HA -0.092 4.249 4.340 0.001 0.000 0.225 169 L C 2.221 179.020 176.870 -0.119 0.000 1.145 169 L CA 1.785 56.555 54.840 -0.116 0.000 0.801 169 L CB -0.456 41.539 42.059 -0.107 0.000 0.924 169 L HN 0.769 nan 8.230 nan 0.000 0.447 170 Q N -1.776 117.974 119.800 -0.084 0.000 2.123 170 Q HA -0.107 4.234 4.340 0.001 0.000 0.196 170 Q C 1.901 177.854 176.000 -0.077 0.000 0.958 170 Q CA 1.618 57.380 55.803 -0.068 0.000 0.841 170 Q CB 0.058 28.775 28.738 -0.035 0.000 0.915 170 Q HN 0.595 nan 8.270 nan 0.000 0.455 171 T N 1.292 115.809 114.554 -0.063 0.000 2.708 171 T HA -0.158 4.192 4.350 0.001 0.000 0.266 171 T C 1.807 176.460 174.700 -0.079 0.000 1.037 171 T CA 1.376 63.445 62.100 -0.052 0.000 1.146 171 T CB -0.463 68.391 68.868 -0.022 0.000 0.865 171 T HN 0.195 nan 8.240 nan 0.000 0.435 172 L N 0.641 121.802 121.223 -0.103 0.000 1.951 172 L HA -0.145 4.195 4.340 0.001 0.000 0.222 172 L C 2.727 179.483 176.870 -0.190 0.000 1.078 172 L CA 1.559 56.308 54.840 -0.151 0.000 0.778 172 L CB -1.039 40.854 42.059 -0.276 0.000 0.893 172 L HN 0.195 nan 8.230 nan 0.000 0.436 173 L N -0.396 120.682 121.223 -0.241 0.000 2.034 173 L HA -0.293 4.048 4.340 0.001 0.000 0.217 173 L C 2.718 179.416 176.870 -0.286 0.000 1.077 173 L CA 1.614 56.261 54.840 -0.322 0.000 0.769 173 L CB -0.599 41.196 42.059 -0.441 0.000 0.890 173 L HN 0.375 nan 8.230 nan 0.000 0.435 174 E N -0.706 119.380 120.200 -0.190 0.000 2.150 174 E HA -0.180 4.171 4.350 0.001 0.000 0.193 174 E C 2.325 178.856 176.600 -0.115 0.000 0.985 174 E CA 0.853 57.181 56.400 -0.121 0.000 0.814 174 E CB 0.050 29.717 29.700 -0.054 0.000 0.752 174 E HN 0.493 nan 8.360 nan 0.000 0.466 175 R N 0.682 121.115 120.500 -0.112 0.000 2.048 175 R HA 0.051 4.392 4.340 0.001 0.000 0.224 175 R C 1.068 177.287 176.300 -0.136 0.000 1.163 175 R CA 0.083 56.122 56.100 -0.101 0.000 0.956 175 R CB -0.208 30.053 30.300 -0.064 0.000 0.849 175 R HN -0.036 nan 8.270 nan 0.000 0.435 176 N N 2.777 121.399 118.700 -0.130 0.000 2.442 176 N HA -0.148 4.593 4.740 0.001 0.000 0.296 176 N C -0.412 174.980 175.510 -0.197 0.000 1.183 176 N CA 0.716 53.691 53.050 -0.126 0.000 1.163 176 N CB -0.643 37.762 38.487 -0.137 0.000 1.428 176 N HN 0.182 nan 8.380 nan 0.000 0.504 177 D N -0.024 120.200 120.400 -0.294 0.000 2.164 177 D HA -0.280 4.361 4.640 0.001 0.000 0.595 177 D C -0.081 175.789 176.300 -0.716 0.000 0.823 177 D CA 1.964 55.574 54.000 -0.651 0.000 1.672 177 D CB -0.301 39.978 40.800 -0.867 0.000 0.508 177 D HN 0.501 nan 8.370 nan 0.000 0.376 178 F N -0.043 119.896 119.950 -0.018 0.000 2.445 178 F HA 0.515 5.042 4.527 0.001 0.000 0.348 178 F C -0.086 175.700 175.800 -0.022 0.000 1.125 178 F CA -0.714 57.275 58.000 -0.019 0.000 0.983 178 F CB 1.093 40.091 39.000 -0.003 0.000 1.198 178 F HN -0.150 nan 8.300 nan 0.000 0.436 179 N N 4.038 122.784 118.700 0.078 0.000 2.701 179 N HA 0.246 4.986 4.740 0.001 0.000 0.258 179 N C -2.935 172.564 175.510 -0.019 0.000 1.262 179 N CA -0.973 52.085 53.050 0.014 0.000 0.780 179 N CB 2.414 40.866 38.487 -0.058 0.000 1.380 179 N HN 0.272 nan 8.380 nan 0.000 0.548 180 P HA 0.280 nan 4.420 nan 0.000 0.274 180 P C -0.358 176.930 177.300 -0.020 0.000 1.260 180 P CA -0.131 62.972 63.100 0.006 0.000 0.793 180 P CB 0.988 32.708 31.700 0.034 0.000 1.048 181 K N 0.421 120.812 120.400 -0.014 0.000 2.439 181 K HA 0.540 4.861 4.320 0.001 0.000 0.260 181 K C -0.145 176.447 176.600 -0.014 0.000 1.032 181 K CA -0.690 55.578 56.287 -0.033 0.000 0.882 181 K CB 2.197 34.671 32.500 -0.043 0.000 1.420 181 K HN 0.604 nan 8.250 nan 0.000 0.455 182 R N -0.174 120.309 120.500 -0.028 0.000 2.455 182 R HA 0.299 4.640 4.340 0.001 0.000 0.256 182 R C -0.549 175.741 176.300 -0.016 0.000 0.804 182 R CA -0.212 55.884 56.100 -0.007 0.000 0.986 182 R CB -1.139 29.166 30.300 0.009 0.000 1.350 182 R HN 0.370 nan 8.270 nan 0.000 0.632 183 I N 1.396 121.952 120.570 -0.023 0.000 2.577 183 I HA 0.358 4.529 4.170 0.001 0.000 0.300 183 I C 0.704 176.818 176.117 -0.004 0.000 0.990 183 I CA -1.073 60.212 61.300 -0.025 0.000 1.283 183 I CB 0.807 38.786 38.000 -0.035 0.000 1.411 183 I HN -0.022 nan 8.210 nan 0.000 0.515 184 R N 3.408 123.907 120.500 -0.002 0.000 2.449 184 R HA 0.364 4.705 4.340 0.001 0.000 0.296 184 R C -0.961 175.343 176.300 0.008 0.000 1.047 184 R CA -0.142 55.965 56.100 0.011 0.000 1.018 184 R CB 0.574 30.881 30.300 0.011 0.000 0.962 184 R HN 0.366 nan 8.270 nan 0.000 0.428 185 V N 3.704 123.625 119.914 0.011 0.000 2.709 185 V HA 0.339 4.460 4.120 0.001 0.000 0.308 185 V C -0.350 175.731 176.094 -0.022 0.000 1.062 185 V CA -0.807 61.488 62.300 -0.009 0.000 0.901 185 V CB 2.327 34.144 31.823 -0.010 0.000 1.003 185 V HN 0.641 nan 8.190 nan 0.000 0.425 186 K N 6.343 126.712 120.400 -0.051 0.000 2.397 186 K HA 0.597 4.917 4.320 0.001 0.000 0.253 186 K C -2.902 173.609 176.600 -0.149 0.000 0.932 186 K CA -1.944 54.288 56.287 -0.092 0.000 0.795 186 K CB 2.900 35.361 32.500 -0.065 0.000 1.159 186 K HN 0.384 nan 8.250 nan 0.000 0.424 187 P HA 0.122 nan 4.420 nan 0.000 0.275 187 P C -0.065 177.099 177.300 -0.226 0.000 1.227 187 P CA -0.194 62.731 63.100 -0.292 0.000 0.781 187 P CB 0.634 32.026 31.700 -0.513 0.000 0.906 188 I N 1.836 122.302 120.570 -0.174 0.000 2.741 188 I HA 0.048 4.218 4.170 0.001 0.000 0.288 188 I C 1.825 177.847 176.117 -0.158 0.000 1.192 188 I CA 1.592 62.807 61.300 -0.141 0.000 1.426 188 I CB -0.864 37.069 38.000 -0.112 0.000 1.367 188 I HN 0.780 nan 8.210 nan 0.000 0.563 189 G N 6.133 114.845 108.800 -0.147 0.000 5.219 189 G HA2 -0.285 3.676 3.960 0.001 0.000 0.267 189 G HA3 -0.285 3.676 3.960 0.001 0.000 0.267 189 G C 0.323 175.091 174.900 -0.219 0.000 1.495 189 G CA -0.142 44.869 45.100 -0.149 0.000 0.988 189 G HN 0.558 nan 8.290 nan 0.000 0.707 190 I N 2.782 123.155 120.570 -0.328 0.000 2.880 190 I HA 0.100 4.271 4.170 0.001 0.000 0.296 190 I C 0.669 176.541 176.117 -0.408 0.000 1.220 190 I CA 0.730 61.714 61.300 -0.527 0.000 1.435 190 I CB 0.411 37.916 38.000 -0.824 0.000 1.339 190 I HN 0.287 nan 8.210 nan 0.000 0.583 191 D N 4.836 124.964 120.400 -0.453 0.000 2.369 191 D HA 0.166 4.807 4.640 0.001 0.000 0.211 191 D C 0.433 176.682 176.300 -0.084 0.000 1.077 191 D CA 0.178 54.034 54.000 -0.241 0.000 0.842 191 D CB 0.175 40.859 40.800 -0.194 0.000 0.947 191 D HN 0.303 nan 8.370 nan 0.000 0.509 192 F N 0.896 120.769 119.950 -0.128 0.000 2.480 192 F HA 0.175 4.702 4.527 0.001 0.000 0.319 192 F C 0.991 176.754 175.800 -0.063 0.000 1.230 192 F CA -0.466 57.496 58.000 -0.063 0.000 1.285 192 F CB 0.701 39.670 39.000 -0.051 0.000 1.208 192 F HN -0.308 nan 8.300 nan 0.000 0.579 193 V N -0.702 119.337 119.914 0.208 0.000 3.188 193 V HA 0.981 5.102 4.120 0.001 0.000 0.305 193 V C -0.220 175.939 176.094 0.107 0.000 1.232 193 V CA -0.757 61.606 62.300 0.105 0.000 1.043 193 V CB 1.387 33.256 31.823 0.077 0.000 1.068 193 V HN 1.079 nan 8.190 nan 0.000 0.439 194 G N 0.667 109.515 108.800 0.081 0.000 2.328 194 G HA2 0.507 4.468 3.960 0.001 0.000 0.295 194 G HA3 0.507 4.468 3.960 0.001 0.000 0.295 194 G C -1.607 173.333 174.900 0.067 0.000 1.413 194 G CA -1.003 44.148 45.100 0.086 0.000 0.817 194 G HN 0.651 nan 8.290 nan 0.000 0.546 195 R N -1.476 119.064 120.500 0.067 0.000 2.524 195 R HA 0.738 5.078 4.340 0.001 0.000 0.236 195 R C -0.677 175.662 176.300 0.066 0.000 1.240 195 R CA -0.737 55.395 56.100 0.053 0.000 1.111 195 R CB 1.242 31.569 30.300 0.045 0.000 1.436 195 R HN 0.260 nan 8.270 nan 0.000 0.573 196 V N 1.177 121.122 119.914 0.052 0.000 2.409 196 V HA 0.084 4.205 4.120 0.001 0.000 0.291 196 V C 0.404 176.538 176.094 0.067 0.000 1.020 196 V CA -0.233 62.102 62.300 0.059 0.000 0.848 196 V CB 1.455 33.294 31.823 0.026 0.000 0.990 196 V HN 0.746 nan 8.190 nan 0.000 0.430 197 Q N 3.047 122.902 119.800 0.092 0.000 2.274 197 Q HA 0.210 4.551 4.340 0.001 0.000 0.198 197 Q C 0.186 176.250 176.000 0.107 0.000 0.955 197 Q CA 1.151 57.010 55.803 0.094 0.000 0.859 197 Q CB 0.614 29.414 28.738 0.104 0.000 0.956 197 Q HN 0.801 nan 8.270 nan 0.000 0.516 198 D N -1.530 118.957 120.400 0.145 0.000 2.596 198 D HA 0.415 5.056 4.640 0.001 0.000 0.262 198 D C -1.714 174.716 176.300 0.216 0.000 1.210 198 D CA -0.463 53.648 54.000 0.183 0.000 0.873 198 D CB 2.496 43.428 40.800 0.219 0.000 1.408 198 D HN -0.068 nan 8.370 nan 0.000 0.441 199 V N 2.255 122.316 119.914 0.245 0.000 2.524 199 V HA 0.562 4.682 4.120 0.001 0.000 0.297 199 V C -1.225 175.094 176.094 0.375 0.000 1.035 199 V CA -0.606 61.836 62.300 0.236 0.000 0.867 199 V CB 1.197 33.109 31.823 0.149 0.000 1.004 199 V HN 0.462 nan 8.190 nan 0.000 0.426 200 F N 2.783 122.856 119.950 0.206 0.000 2.578 200 F HA 0.722 5.250 4.527 0.001 0.000 0.311 200 F C -0.404 175.344 175.800 -0.085 0.000 1.094 200 F CA -1.403 56.648 58.000 0.085 0.000 0.923 200 F CB 1.449 40.469 39.000 0.034 0.000 1.230 200 F HN 0.196 nan 8.300 nan 0.000 0.450 201 K N 1.802 122.092 120.400 -0.182 0.000 2.412 201 K HA 0.408 4.729 4.320 0.001 0.000 0.281 201 K C 0.912 177.426 176.600 -0.144 0.000 1.027 201 K CA 0.389 56.377 56.287 -0.499 0.000 0.989 201 K CB 1.367 33.593 32.500 -0.458 0.000 0.935 201 K HN 0.861 nan 8.250 nan 0.000 0.475 202 A N 4.035 126.754 122.820 -0.168 0.000 2.070 202 A HA -0.139 4.182 4.320 0.001 0.000 0.220 202 A C 1.306 179.008 177.584 0.196 0.000 1.159 202 A CA 1.150 53.262 52.037 0.125 0.000 0.656 202 A CB -0.207 18.876 19.000 0.138 0.000 0.800 202 A HN 0.721 nan 8.150 nan 0.000 0.453 203 K N 0.201 120.609 120.400 0.013 0.000 3.256 203 K HA 0.053 4.373 4.320 0.001 0.000 0.285 203 K C 0.189 176.823 176.600 0.058 0.000 1.086 203 K CA 0.499 56.799 56.287 0.021 0.000 1.125 203 K CB -0.319 32.146 32.500 -0.058 0.000 1.292 203 K HN 0.650 nan 8.250 nan 0.000 0.312 204 E N -0.628 119.648 120.200 0.127 0.000 2.895 204 E HA 0.030 4.381 4.350 0.001 0.000 0.254 204 E C -0.413 176.227 176.600 0.067 0.000 1.139 204 E CA -0.325 56.123 56.400 0.081 0.000 1.832 204 E CB 0.286 30.021 29.700 0.058 0.000 2.683 204 E HN 0.102 nan 8.360 nan 0.000 1.040 205 K N 1.200 121.629 120.400 0.050 0.000 2.274 205 K HA 0.139 4.460 4.320 0.001 0.000 0.255 205 K C 0.476 177.099 176.600 0.039 0.000 1.005 205 K CA 0.521 56.734 56.287 -0.123 0.000 0.864 205 K CB 0.092 32.315 32.500 -0.462 0.000 1.013 205 K HN 0.093 nan 8.250 nan 0.000 0.519 206 G N 0.885 109.701 108.800 0.027 0.000 2.380 206 G HA2 -0.091 3.869 3.960 0.001 0.000 0.242 206 G HA3 -0.091 3.869 3.960 0.001 0.000 0.242 206 G C 0.413 175.468 174.900 0.258 0.000 1.298 206 G CA -0.216 44.968 45.100 0.140 0.000 0.878 206 G HN 0.703 nan 8.290 nan 0.000 0.542 207 E N 1.143 121.493 120.200 0.250 0.000 2.517 207 E HA -0.105 4.246 4.350 0.001 0.000 0.207 207 E C 0.779 177.541 176.600 0.270 0.000 1.144 207 E CA 0.879 57.446 56.400 0.278 0.000 0.920 207 E CB 0.152 29.947 29.700 0.158 0.000 0.867 207 E HN 0.791 nan 8.360 nan 0.000 0.580 208 E N -2.451 117.896 120.200 0.246 0.000 2.642 208 E HA 0.036 4.387 4.350 0.001 0.000 0.206 208 E C 0.783 177.412 176.600 0.047 0.000 0.939 208 E CA -0.252 56.232 56.400 0.139 0.000 1.372 208 E CB -0.280 29.465 29.700 0.076 0.000 1.334 208 E HN 0.065 nan 8.360 nan 0.000 0.709 209 F N 0.200 120.064 119.950 -0.144 0.000 2.333 209 F HA -0.070 4.458 4.527 0.001 0.000 0.300 209 F C 1.138 176.654 175.800 -0.474 0.000 1.083 209 F CA 1.376 59.154 58.000 -0.370 0.000 1.395 209 F CB 0.174 38.863 39.000 -0.518 0.000 1.056 209 F HN -0.009 nan 8.300 nan 0.000 0.529 210 F N -0.968 119.080 119.950 0.162 0.000 2.743 210 F HA 0.128 4.656 4.527 0.001 0.000 0.297 210 F C 2.156 177.973 175.800 0.027 0.000 1.131 210 F CA 0.218 58.311 58.000 0.155 0.000 1.426 210 F CB -0.535 38.650 39.000 0.308 0.000 1.116 210 F HN -0.257 nan 8.300 nan 0.000 0.583 211 R N 0.146 120.704 120.500 0.097 0.000 2.093 211 R HA -0.009 4.331 4.340 0.001 0.000 0.224 211 R C 1.902 178.131 176.300 -0.117 0.000 1.101 211 R CA 0.717 56.824 56.100 0.013 0.000 0.979 211 R CB -0.440 29.867 30.300 0.011 0.000 0.877 211 R HN 0.295 nan 8.270 nan 0.000 0.441 212 L N 0.149 121.211 121.223 -0.268 0.000 1.899 212 L HA -0.312 4.029 4.340 0.001 0.000 0.223 212 L C 2.592 179.204 176.870 -0.430 0.000 1.088 212 L CA 1.728 56.320 54.840 -0.415 0.000 0.788 212 L CB -0.583 41.028 42.059 -0.747 0.000 0.889 212 L HN 0.307 nan 8.230 nan 0.000 0.431 213 C N -0.710 118.190 119.300 -0.667 0.000 2.398 213 C HA -0.288 4.173 4.460 0.001 0.000 0.279 213 C C 2.728 177.372 174.990 -0.578 0.000 1.250 213 C CA 1.095 59.626 59.018 -0.811 0.000 1.786 213 C CB -1.265 25.518 27.740 -1.596 0.000 2.018 213 C HN 0.654 nan 8.230 nan 0.000 0.494 214 M N 1.423 120.831 119.600 -0.319 0.000 2.108 214 M HA -0.230 4.250 4.480 0.001 0.000 0.261 214 M C 2.201 178.491 176.300 -0.016 0.000 1.066 214 M CA 2.003 57.298 55.300 -0.008 0.000 1.107 214 M CB -0.329 32.343 32.600 0.120 0.000 1.356 214 M HN 0.443 nan 8.290 nan 0.000 0.406 215 E N -0.239 119.918 120.200 -0.072 0.000 2.072 215 E HA -0.128 4.222 4.350 0.001 0.000 0.190 215 E C 2.043 178.600 176.600 -0.071 0.000 0.982 215 E CA 1.079 57.446 56.400 -0.055 0.000 0.803 215 E CB -0.027 29.631 29.700 -0.070 0.000 0.755 215 E HN 0.556 nan 8.360 nan 0.000 0.453 216 R N 0.969 121.385 120.500 -0.140 0.000 2.200 216 R HA 0.056 4.397 4.340 0.001 0.000 0.208 216 R C 0.729 176.977 176.300 -0.087 0.000 1.033 216 R CA 0.328 56.345 56.100 -0.138 0.000 1.000 216 R CB 0.021 30.189 30.300 -0.219 0.000 0.906 216 R HN 0.067 nan 8.270 nan 0.000 0.462 217 S N 0.780 116.438 115.700 -0.071 0.000 2.531 217 S HA 0.069 4.539 4.470 0.001 0.000 0.279 217 S C 1.089 175.719 174.600 0.050 0.000 1.305 217 S CA -0.528 57.691 58.200 0.032 0.000 1.058 217 S CB 1.498 64.790 63.200 0.154 0.000 0.899 217 S HN 0.061 nan 8.310 nan 0.000 0.493 218 T N 2.129 116.685 114.554 0.004 0.000 2.760 218 T HA -0.156 4.195 4.350 0.001 0.000 0.269 218 T C 0.724 175.262 174.700 -0.270 0.000 1.047 218 T CA 1.535 63.515 62.100 -0.200 0.000 1.139 218 T CB -0.585 68.013 68.868 -0.451 0.000 0.855 218 T HN 0.731 nan 8.240 nan 0.000 0.471 219 H N -0.105 119.053 119.070 0.147 0.000 2.615 219 H HA 0.445 5.002 4.556 0.001 0.000 0.346 219 H C 1.118 176.504 175.328 0.097 0.000 1.200 219 H CA -0.753 55.355 56.048 0.100 0.000 1.264 219 H CB 1.665 31.471 29.762 0.072 0.000 1.699 219 H HN -0.036 nan 8.280 nan 0.000 0.567 220 K N 0.537 121.058 120.400 0.201 0.000 1.965 220 K HA -0.151 4.169 4.320 0.001 0.000 0.214 220 K C 2.234 178.907 176.600 0.122 0.000 1.042 220 K CA 1.775 58.140 56.287 0.129 0.000 0.950 220 K CB -0.244 32.316 32.500 0.099 0.000 0.733 220 K HN 0.603 nan 8.250 nan 0.000 0.441 221 S N 0.564 116.319 115.700 0.091 0.000 2.368 221 S HA -0.269 4.201 4.470 0.001 0.000 0.226 221 S C 2.097 176.773 174.600 0.126 0.000 1.044 221 S CA 2.109 60.350 58.200 0.068 0.000 1.062 221 S CB -1.287 61.917 63.200 0.007 0.000 0.931 221 S HN 0.458 nan 8.310 nan 0.000 0.440 222 S N 2.028 117.854 115.700 0.211 0.000 2.440 222 S HA -0.129 4.341 4.470 0.001 0.000 0.240 222 S C 1.657 176.520 174.600 0.439 0.000 1.014 222 S CA 1.234 59.646 58.200 0.353 0.000 0.980 222 S CB -0.520 63.029 63.200 0.582 0.000 0.775 222 S HN 0.665 nan 8.310 nan 0.000 0.499 223 K N 1.354 121.936 120.400 0.303 0.000 2.031 223 K HA 0.062 4.382 4.320 0.001 0.000 0.205 223 K C 2.259 179.004 176.600 0.241 0.000 1.049 223 K CA 1.377 57.826 56.287 0.269 0.000 0.939 223 K CB -0.122 32.474 32.500 0.159 0.000 0.717 223 K HN 0.381 nan 8.250 nan 0.000 0.438 224 K N 0.367 120.862 120.400 0.158 0.000 2.365 224 K HA -0.002 4.319 4.320 0.001 0.000 0.199 224 K C 1.961 178.608 176.600 0.078 0.000 1.045 224 K CA 0.865 57.214 56.287 0.103 0.000 0.962 224 K CB 0.085 32.621 32.500 0.059 0.000 0.759 224 K HN 0.113 nan 8.250 nan 0.000 0.469 225 A N 0.341 123.202 122.820 0.068 0.000 1.968 225 A HA -0.100 4.220 4.320 0.001 0.000 0.217 225 A C 1.411 178.935 177.584 -0.100 0.000 1.169 225 A CA 0.693 52.692 52.037 -0.063 0.000 0.638 225 A CB -0.602 18.311 19.000 -0.146 0.000 0.812 225 A HN 0.429 nan 8.150 nan 0.000 0.446 226 W N -0.380 120.988 121.300 0.113 0.000 2.770 226 W HA 0.183 4.843 4.660 0.001 0.000 0.256 226 W C 2.031 178.612 176.519 0.102 0.000 1.291 226 W CA 0.612 58.044 57.345 0.144 0.000 1.396 226 W CB 0.162 29.723 29.460 0.168 0.000 1.114 226 W HN 0.460 nan 8.180 nan 0.000 0.637 227 E N 1.372 121.722 120.200 0.249 0.000 2.047 227 E HA -0.206 4.145 4.350 0.001 0.000 0.191 227 E C 1.547 178.198 176.600 0.085 0.000 0.987 227 E CA 1.750 58.240 56.400 0.151 0.000 0.799 227 E CB -0.037 29.727 29.700 0.108 0.000 0.752 227 E HN 0.258 nan 8.360 nan 0.000 0.449 228 E N -0.177 120.048 120.200 0.043 0.000 2.285 228 E HA -0.046 4.305 4.350 0.001 0.000 0.194 228 E C 2.012 178.590 176.600 -0.037 0.000 0.997 228 E CA 0.582 56.980 56.400 -0.004 0.000 0.845 228 E CB 0.001 29.686 29.700 -0.024 0.000 0.782 228 E HN 0.286 nan 8.360 nan 0.000 0.491 229 L N 0.375 121.574 121.223 -0.040 0.000 2.201 229 L HA -0.130 4.210 4.340 0.001 0.000 0.212 229 L C 2.234 179.002 176.870 -0.169 0.000 1.105 229 L CA 0.253 55.004 54.840 -0.148 0.000 0.775 229 L CB -0.216 41.755 42.059 -0.146 0.000 0.913 229 L HN 0.205 nan 8.230 nan 0.000 0.440 230 L N 0.080 121.310 121.223 0.011 0.000 1.973 230 L HA -0.201 4.140 4.340 0.001 0.000 0.208 230 L C 2.478 179.347 176.870 -0.001 0.000 1.073 230 L CA 1.935 56.804 54.840 0.048 0.000 0.746 230 L CB -0.338 41.793 42.059 0.120 0.000 0.891 230 L HN 0.042 nan 8.230 nan 0.000 0.433 231 K N -0.471 119.931 120.400 0.003 0.000 1.991 231 K HA -0.105 4.216 4.320 0.001 0.000 0.207 231 K C 0.759 177.343 176.600 -0.027 0.000 1.045 231 K CA 1.082 57.366 56.287 -0.005 0.000 0.937 231 K CB -0.376 32.126 32.500 0.004 0.000 0.720 231 K HN 0.206 nan 8.250 nan 0.000 0.438 232 N N 1.727 120.403 118.700 -0.041 0.000 2.466 232 N HA -0.024 4.716 4.740 0.001 0.000 0.263 232 N C 0.388 175.854 175.510 -0.073 0.000 1.178 232 N CA 0.125 53.145 53.050 -0.050 0.000 0.983 232 N CB 0.351 38.809 38.487 -0.048 0.000 1.331 232 N HN 0.047 nan 8.380 nan 0.000 0.500 233 R N 1.729 122.193 120.500 -0.060 0.000 2.159 233 R HA -0.123 4.218 4.340 0.001 0.000 0.237 233 R C 1.089 177.347 176.300 -0.070 0.000 1.131 233 R CA 0.937 56.995 56.100 -0.070 0.000 0.982 233 R CB 0.093 30.369 30.300 -0.040 0.000 0.868 233 R HN 0.709 nan 8.270 nan 0.000 0.453 234 E N 0.508 120.676 120.200 -0.055 0.000 2.000 234 E HA -0.212 4.138 4.350 0.001 0.000 0.199 234 E C 2.142 178.703 176.600 -0.064 0.000 1.011 234 E CA 1.300 57.671 56.400 -0.048 0.000 0.836 234 E CB -0.192 29.486 29.700 -0.037 0.000 0.778 234 E HN 0.210 nan 8.360 nan 0.000 0.462 235 L N 0.584 121.764 121.223 -0.071 0.000 2.030 235 L HA -0.333 4.007 4.340 0.001 0.000 0.222 235 L C 2.759 179.563 176.870 -0.111 0.000 1.082 235 L CA 1.558 56.349 54.840 -0.082 0.000 0.785 235 L CB -0.597 41.409 42.059 -0.089 0.000 0.895 235 L HN 0.231 nan 8.230 nan 0.000 0.439 236 R N -0.064 120.338 120.500 -0.163 0.000 2.196 236 R HA -0.278 4.062 4.340 0.001 0.000 0.259 236 R C 2.046 178.265 176.300 -0.136 0.000 1.154 236 R CA 2.368 58.337 56.100 -0.218 0.000 0.976 236 R CB -0.585 29.551 30.300 -0.273 0.000 0.888 236 R HN 0.591 nan 8.270 nan 0.000 0.453 237 E N -0.100 120.042 120.200 -0.095 0.000 2.152 237 E HA -0.118 4.233 4.350 0.001 0.000 0.192 237 E C 1.909 178.467 176.600 -0.069 0.000 0.983 237 E CA 0.945 57.303 56.400 -0.070 0.000 0.818 237 E CB 0.121 29.794 29.700 -0.044 0.000 0.758 237 E HN 0.393 nan 8.360 nan 0.000 0.467 238 K N 1.073 121.443 120.400 -0.051 0.000 2.067 238 K HA 0.143 4.464 4.320 0.001 0.000 0.203 238 K C 0.989 177.585 176.600 -0.007 0.000 1.048 238 K CA 0.465 56.749 56.287 -0.004 0.000 0.954 238 K CB -0.071 32.437 32.500 0.013 0.000 0.737 238 K HN -0.013 nan 8.250 nan 0.000 0.444 239 A N 1.946 124.733 122.820 -0.054 0.000 2.598 239 A HA 0.004 4.325 4.320 0.001 0.000 0.239 239 A C -0.525 176.992 177.584 -0.112 0.000 1.032 239 A CA 0.539 52.544 52.037 -0.054 0.000 0.760 239 A CB -0.426 18.509 19.000 -0.108 0.000 0.946 239 A HN 0.183 nan 8.150 nan 0.000 0.512 240 F N 1.256 121.138 119.950 -0.112 0.000 2.469 240 F HA 0.581 5.109 4.527 0.001 0.000 0.332 240 F C 0.244 175.913 175.800 -0.218 0.000 1.103 240 F CA -0.273 57.639 58.000 -0.146 0.000 0.979 240 F CB 1.760 40.688 39.000 -0.121 0.000 1.137 240 F HN 0.416 nan 8.300 nan 0.000 0.463 241 L N 3.612 124.677 121.223 -0.263 0.000 2.334 241 L HA 0.740 5.081 4.340 0.001 0.000 0.273 241 L C -1.141 175.418 176.870 -0.518 0.000 1.013 241 L CA -1.069 53.515 54.840 -0.426 0.000 0.816 241 L CB 2.090 43.800 42.059 -0.582 0.000 1.278 241 L HN 0.209 nan 8.230 nan 0.000 0.431 242 V N 3.063 122.860 119.914 -0.194 0.000 2.409 242 V HA 0.270 4.391 4.120 0.001 0.000 0.290 242 V C -0.156 176.052 176.094 0.189 0.000 1.017 242 V CA -0.668 61.635 62.300 0.005 0.000 0.841 242 V CB 1.863 33.721 31.823 0.058 0.000 1.003 242 V HN 0.379 nan 8.190 nan 0.000 0.426 243 V N 6.869 126.986 119.914 0.339 0.000 2.427 243 V HA 0.270 4.391 4.120 0.001 0.000 0.268 243 V C 0.812 177.052 176.094 0.244 0.000 1.046 243 V CA 0.174 62.679 62.300 0.343 0.000 0.970 243 V CB 0.879 32.923 31.823 0.368 0.000 1.001 243 V HN 0.687 nan 8.190 nan 0.000 0.476 244 L N 3.584 124.950 121.223 0.237 0.000 2.504 244 L HA 0.286 4.627 4.340 0.001 0.000 0.170 244 L C 1.610 178.569 176.870 0.147 0.000 1.382 244 L CA 0.400 55.355 54.840 0.191 0.000 3.039 244 L CB -0.134 42.061 42.059 0.226 0.000 2.961 244 L HN 0.584 nan 8.230 nan 0.000 1.046 245 E N -1.377 118.901 120.200 0.130 0.000 2.550 245 E HA 0.075 4.426 4.350 0.001 0.000 0.206 245 E C 0.900 177.537 176.600 0.061 0.000 0.845 245 E CA -0.039 56.413 56.400 0.086 0.000 1.461 245 E CB 0.717 30.462 29.700 0.075 0.000 1.452 245 E HN 0.279 nan 8.360 nan 0.000 0.780 246 K N 0.522 120.969 120.400 0.077 0.000 2.790 246 K HA 0.166 4.487 4.320 0.001 0.000 0.229 246 K C 0.781 177.335 176.600 -0.075 0.000 1.040 246 K CA 0.511 56.804 56.287 0.010 0.000 1.211 246 K CB 0.475 33.005 32.500 0.049 0.000 1.002 246 K HN 0.300 nan 8.250 nan 0.000 0.479 247 G N 0.692 109.484 108.800 -0.013 0.000 2.322 247 G HA2 -0.362 3.598 3.960 0.001 0.000 0.264 247 G HA3 -0.362 3.598 3.960 0.001 0.000 0.264 247 G C 0.078 175.005 174.900 0.045 0.000 0.992 247 G CA 0.235 45.316 45.100 -0.031 0.000 0.624 247 G HN 0.499 nan 8.290 nan 0.000 0.543 248 Y N 1.854 122.227 120.300 0.121 0.000 2.511 248 Y HA 0.399 4.950 4.550 0.001 0.000 0.332 248 Y C 0.968 176.974 175.900 0.177 0.000 1.177 248 Y CA 0.552 58.742 58.100 0.150 0.000 1.422 248 Y CB 0.925 39.571 38.460 0.310 0.000 1.271 248 Y HN 0.117 nan 8.280 nan 0.000 0.550 249 T N 3.612 118.340 114.554 0.291 0.000 2.861 249 T HA 0.521 4.872 4.350 0.001 0.000 0.287 249 T C -1.483 173.296 174.700 0.132 0.000 1.003 249 T CA -0.829 61.444 62.100 0.288 0.000 0.977 249 T CB 0.958 70.045 68.868 0.365 0.000 0.996 249 T HN 0.362 nan 8.240 nan 0.000 0.448 250 Y N 1.289 121.775 120.300 0.311 0.000 2.571 250 Y HA 0.474 5.025 4.550 0.001 0.000 0.341 250 Y C -2.505 173.316 175.900 -0.131 0.000 1.076 250 Y CA -2.537 55.648 58.100 0.142 0.000 1.029 250 Y CB 2.014 40.513 38.460 0.065 0.000 1.308 250 Y HN 0.400 nan 8.280 nan 0.000 0.461 251 P HA 0.115 nan 4.420 nan 0.000 0.276 251 P C 0.112 177.335 177.300 -0.128 0.000 1.235 251 P CA 0.140 63.062 63.100 -0.296 0.000 0.772 251 P CB 1.458 32.862 31.700 -0.493 0.000 0.871 252 A N 3.640 126.411 122.820 -0.082 0.000 2.093 252 A HA -0.192 4.129 4.320 0.001 0.000 0.222 252 A C 1.836 179.374 177.584 -0.077 0.000 1.162 252 A CA 2.202 54.203 52.037 -0.059 0.000 0.655 252 A CB -1.769 17.209 19.000 -0.036 0.000 0.805 252 A HN 0.597 nan 8.150 nan 0.000 0.461 253 T N -0.637 113.860 114.554 -0.096 0.000 2.946 253 T HA -0.016 4.335 4.350 0.001 0.000 0.271 253 T C 1.310 175.954 174.700 -0.093 0.000 1.104 253 T CA 1.298 63.342 62.100 -0.093 0.000 1.114 253 T CB -0.197 68.605 68.868 -0.109 0.000 0.867 253 T HN 0.527 nan 8.240 nan 0.000 0.513 254 I N 0.068 120.575 120.570 -0.105 0.000 4.240 254 I HA 0.275 4.445 4.170 0.001 0.000 0.331 254 I C -0.374 175.664 176.117 -0.132 0.000 1.381 254 I CA 0.000 61.233 61.300 -0.111 0.000 1.136 254 I CB 0.595 38.531 38.000 -0.108 0.000 1.137 254 I HN 0.111 nan 8.210 nan 0.000 0.411 255 L N 1.598 122.752 121.223 -0.114 0.000 2.309 255 L HA 0.454 4.795 4.340 0.001 0.000 0.282 255 L C -0.393 176.428 176.870 -0.081 0.000 1.036 255 L CA -0.458 54.314 54.840 -0.113 0.000 0.806 255 L CB 1.397 43.401 42.059 -0.090 0.000 1.220 255 L HN -0.024 nan 8.230 nan 0.000 0.429 256 K N 3.766 124.124 120.400 -0.069 0.000 2.397 256 K HA 0.454 4.775 4.320 0.001 0.000 0.253 256 K C -2.523 174.064 176.600 -0.021 0.000 0.932 256 K CA -1.726 54.540 56.287 -0.035 0.000 0.795 256 K CB 2.236 34.728 32.500 -0.013 0.000 1.159 256 K HN 0.254 nan 8.250 nan 0.000 0.424 257 P HA -0.027 nan 4.420 nan 0.000 0.267 257 P C -0.534 176.788 177.300 0.037 0.000 1.200 257 P CA -0.283 62.826 63.100 0.014 0.000 0.772 257 P CB 0.685 32.412 31.700 0.046 0.000 0.855 258 V N 3.956 123.888 119.914 0.030 0.000 2.532 258 V HA 0.376 4.496 4.120 0.001 0.000 0.295 258 V C 0.668 176.779 176.094 0.030 0.000 1.041 258 V CA -0.374 61.946 62.300 0.034 0.000 0.926 258 V CB 1.130 32.969 31.823 0.027 0.000 0.992 258 V HN 0.371 nan 8.190 nan 0.000 0.457 259 L N 3.326 124.566 121.223 0.028 0.000 2.230 259 L HA 0.739 5.080 4.340 0.001 0.000 0.255 259 L C 0.497 177.367 176.870 0.000 0.000 1.039 259 L CA -0.550 54.291 54.840 0.003 0.000 0.846 259 L CB 2.206 44.264 42.059 -0.002 0.000 1.419 259 L HN 0.673 nan 8.230 nan 0.000 0.435 260 T N -2.120 112.416 114.554 -0.030 0.000 3.384 260 T HA 0.127 4.478 4.350 0.001 0.000 0.151 260 T C 0.015 174.760 174.700 0.076 0.000 0.896 260 T CA 0.716 62.822 62.100 0.009 0.000 0.896 260 T CB 0.279 69.112 68.868 -0.060 0.000 1.319 260 T HN 0.754 nan 8.240 nan 0.000 0.293 261 Y N 0.291 120.567 120.300 -0.041 0.000 2.493 261 Y HA 0.474 5.024 4.550 0.001 0.000 0.295 261 Y C 1.084 176.957 175.900 -0.045 0.000 0.999 261 Y CA -0.060 58.010 58.100 -0.051 0.000 1.010 261 Y CB -0.342 38.088 38.460 -0.050 0.000 1.402 261 Y HN 0.225 nan 8.280 nan 0.000 0.586 262 E N 2.962 122.750 120.200 -0.686 0.000 2.501 262 E HA -0.071 4.280 4.350 0.001 0.000 0.203 262 E C 0.268 176.749 176.600 -0.197 0.000 1.072 262 E CA 1.276 57.415 56.400 -0.436 0.000 0.885 262 E CB -0.470 28.949 29.700 -0.469 0.000 0.813 262 E HN 0.828 nan 8.360 nan 0.000 0.556 263 N N -0.161 118.446 118.700 -0.155 0.000 2.217 263 N HA 0.116 4.857 4.740 0.001 0.000 0.239 263 N C -0.550 174.891 175.510 -0.116 0.000 1.330 263 N CA -0.194 52.768 53.050 -0.146 0.000 0.838 263 N CB 0.494 38.880 38.487 -0.169 0.000 1.287 263 N HN 0.006 nan 8.380 nan 0.000 0.498 264 L N 1.588 122.777 121.223 -0.056 0.000 2.346 264 L HA 0.368 4.708 4.340 0.001 0.000 0.276 264 L C 0.511 177.358 176.870 -0.039 0.000 1.006 264 L CA -0.718 54.093 54.840 -0.048 0.000 0.817 264 L CB 2.040 44.090 42.059 -0.015 0.000 1.272 264 L HN 0.004 nan 8.230 nan 0.000 0.421 265 E N 1.321 121.486 120.200 -0.060 0.000 2.435 265 E HA -0.051 4.300 4.350 0.001 0.000 0.256 265 E C -0.141 176.435 176.600 -0.039 0.000 1.245 265 E CA -0.107 56.262 56.400 -0.051 0.000 0.989 265 E CB 0.707 30.368 29.700 -0.064 0.000 0.983 265 E HN 0.527 nan 8.360 nan 0.000 0.480 266 D N 1.005 121.384 120.400 -0.036 0.000 2.085 266 D HA -0.118 4.523 4.640 0.001 0.000 0.199 266 D C 1.386 177.659 176.300 -0.046 0.000 0.981 266 D CA 1.164 55.143 54.000 -0.034 0.000 0.834 266 D CB -0.150 40.633 40.800 -0.029 0.000 0.992 266 D HN 0.446 nan 8.370 nan 0.000 0.457 267 E N 0.162 120.333 120.200 -0.049 0.000 2.501 267 E HA -0.134 4.216 4.350 0.001 0.000 0.203 267 E C 1.165 177.724 176.600 -0.067 0.000 1.072 267 E CA 0.619 56.986 56.400 -0.055 0.000 0.885 267 E CB 0.128 29.796 29.700 -0.053 0.000 0.813 267 E HN 0.403 nan 8.360 nan 0.000 0.556 268 E N -1.144 119.014 120.200 -0.070 0.000 2.399 268 E HA 0.117 4.467 4.350 0.001 0.000 0.206 268 E C 1.673 178.225 176.600 -0.080 0.000 0.812 268 E CA -0.340 56.010 56.400 -0.083 0.000 1.138 268 E CB 0.209 29.856 29.700 -0.088 0.000 1.140 268 E HN -0.018 nan 8.360 nan 0.000 0.536 269 R N 1.321 121.785 120.500 -0.059 0.000 2.117 269 R HA -0.138 4.202 4.340 0.001 0.000 0.243 269 R C 1.653 177.905 176.300 -0.080 0.000 1.143 269 R CA 1.501 57.572 56.100 -0.049 0.000 0.968 269 R CB -0.054 30.233 30.300 -0.022 0.000 0.863 269 R HN 0.103 nan 8.270 nan 0.000 0.444 270 N N 0.579 119.231 118.700 -0.078 0.000 2.030 270 N HA -0.195 4.545 4.740 0.001 0.000 0.194 270 N C 1.595 177.041 175.510 -0.106 0.000 1.074 270 N CA 1.122 54.120 53.050 -0.087 0.000 0.860 270 N CB -0.845 37.598 38.487 -0.073 0.000 1.055 270 N HN 0.049 nan 8.380 nan 0.000 0.429 271 E N 0.813 120.951 120.200 -0.103 0.000 2.113 271 E HA -0.156 4.195 4.350 0.001 0.000 0.210 271 E C 1.789 178.285 176.600 -0.173 0.000 1.040 271 E CA 1.263 57.589 56.400 -0.123 0.000 0.847 271 E CB -0.510 29.121 29.700 -0.116 0.000 0.755 271 E HN 0.200 nan 8.360 nan 0.000 0.459 272 V N 0.197 120.004 119.914 -0.179 0.000 2.871 272 V HA -0.090 4.031 4.120 0.001 0.000 0.256 272 V C 2.226 178.174 176.094 -0.243 0.000 1.082 272 V CA 1.371 63.529 62.300 -0.236 0.000 1.105 272 V CB -0.686 31.027 31.823 -0.184 0.000 0.713 272 V HN 0.402 nan 8.190 nan 0.000 0.473 273 A N 0.060 122.769 122.820 -0.184 0.000 1.929 273 A HA -0.190 4.131 4.320 0.001 0.000 0.216 273 A C 1.923 179.395 177.584 -0.186 0.000 1.176 273 A CA 1.619 53.548 52.037 -0.181 0.000 0.628 273 A CB -0.553 18.348 19.000 -0.165 0.000 0.816 273 A HN 0.472 nan 8.150 nan 0.000 0.444 274 D N -0.015 120.283 120.400 -0.169 0.000 2.271 274 D HA -0.143 4.498 4.640 0.001 0.000 0.207 274 D C 1.629 177.823 176.300 -0.176 0.000 0.983 274 D CA 1.215 55.131 54.000 -0.141 0.000 0.878 274 D CB -0.152 40.582 40.800 -0.111 0.000 0.920 274 D HN 0.609 nan 8.370 nan 0.000 0.479 275 I N -0.795 119.589 120.570 -0.310 0.000 2.726 275 I HA -0.117 4.054 4.170 0.001 0.000 0.243 275 I C 2.284 178.074 176.117 -0.546 0.000 1.082 275 I CA 0.124 61.131 61.300 -0.489 0.000 1.447 275 I CB -0.345 37.122 38.000 -0.889 0.000 1.250 275 I HN -0.206 nan 8.210 nan 0.000 0.453 276 V N 1.484 121.072 119.914 -0.543 0.000 2.439 276 V HA -0.246 3.874 4.120 0.001 0.000 0.253 276 V C 0.924 176.939 176.094 -0.131 0.000 1.074 276 V CA 1.788 63.886 62.300 -0.336 0.000 1.076 276 V CB -0.953 30.761 31.823 -0.182 0.000 0.664 276 V HN 0.426 nan 8.190 nan 0.000 0.461 277 R N 0.593 121.009 120.500 -0.141 0.000 2.724 277 R HA 0.445 4.786 4.340 0.001 0.000 0.284 277 R C -0.179 176.086 176.300 -0.058 0.000 1.481 277 R CA -0.113 55.939 56.100 -0.080 0.000 1.652 277 R CB 0.390 30.623 30.300 -0.111 0.000 1.175 277 R HN 0.473 nan 8.270 nan 0.000 0.613 278 M N -0.887 118.709 119.600 -0.007 0.000 2.197 278 M HA 0.392 4.873 4.480 0.001 0.000 0.305 278 M C -0.111 176.228 176.300 0.066 0.000 1.162 278 M CA -0.344 54.978 55.300 0.038 0.000 1.099 278 M CB 0.704 33.366 32.600 0.102 0.000 1.430 278 M HN -0.005 nan 8.290 nan 0.000 0.481 279 E N 0.924 121.179 120.200 0.091 0.000 2.318 279 E HA 0.267 4.617 4.350 0.001 0.000 0.265 279 E C -1.931 174.764 176.600 0.158 0.000 1.069 279 E CA -2.007 54.464 56.400 0.118 0.000 0.893 279 E CB 0.541 30.335 29.700 0.157 0.000 1.076 279 E HN 0.449 nan 8.360 nan 0.000 0.414 280 P HA -0.056 nan 4.420 nan 0.000 0.219 280 P C 1.252 178.798 177.300 0.410 0.000 1.150 280 P CA 1.200 64.455 63.100 0.258 0.000 0.814 280 P CB 0.223 31.938 31.700 0.026 0.000 0.787 281 G N 0.353 109.316 108.800 0.271 0.000 2.442 281 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 281 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 281 G C 1.633 176.633 174.900 0.166 0.000 1.141 281 G CA 0.870 46.095 45.100 0.209 0.000 0.763 281 G HN 0.287 nan 8.290 nan 0.000 0.554 282 K N 0.196 120.699 120.400 0.171 0.000 2.116 282 K HA 0.053 4.374 4.320 0.001 0.000 0.203 282 K C 2.498 179.201 176.600 0.172 0.000 1.052 282 K CA 0.593 56.974 56.287 0.156 0.000 0.952 282 K CB -0.156 32.435 32.500 0.152 0.000 0.729 282 K HN 0.218 nan 8.250 nan 0.000 0.446 283 R N 0.511 121.147 120.500 0.226 0.000 2.120 283 R HA -0.126 4.215 4.340 0.001 0.000 0.234 283 R C 2.098 178.483 176.300 0.142 0.000 1.123 283 R CA 1.061 57.303 56.100 0.238 0.000 0.975 283 R CB -0.136 30.353 30.300 0.315 0.000 0.866 283 R HN 0.191 nan 8.270 nan 0.000 0.446 284 L N 1.373 122.648 121.223 0.088 0.000 2.179 284 L HA -0.035 4.305 4.340 0.001 0.000 0.208 284 L C 1.302 178.108 176.870 -0.108 0.000 1.096 284 L CA 1.552 56.265 54.840 -0.211 0.000 0.779 284 L CB -0.498 41.284 42.059 -0.462 0.000 0.922 284 L HN 0.159 nan 8.230 nan 0.000 0.443 285 N N -0.423 118.272 118.700 -0.007 0.000 2.188 285 N HA -0.132 4.609 4.740 0.001 0.000 0.184 285 N C 1.883 177.403 175.510 0.016 0.000 1.018 285 N CA 1.473 54.534 53.050 0.019 0.000 0.858 285 N CB -0.286 38.242 38.487 0.070 0.000 0.989 285 N HN 0.365 nan 8.380 nan 0.000 0.426 286 L N 0.642 121.855 121.223 -0.015 0.000 2.072 286 L HA -0.015 4.325 4.340 0.001 0.000 0.205 286 L C 2.215 178.967 176.870 -0.196 0.000 1.079 286 L CA 0.687 55.456 54.840 -0.119 0.000 0.752 286 L CB -0.365 41.618 42.059 -0.126 0.000 0.906 286 L HN 0.047 nan 8.230 nan 0.000 0.436 287 I N -0.328 120.144 120.570 -0.163 0.000 2.208 287 I HA -0.336 3.835 4.170 0.001 0.000 0.245 287 I C 2.817 178.762 176.117 -0.287 0.000 1.097 287 I CA 1.442 62.605 61.300 -0.230 0.000 1.363 287 I CB -0.242 37.673 38.000 -0.140 0.000 1.051 287 I HN 0.206 nan 8.210 nan 0.000 0.413 288 R N -0.677 119.707 120.500 -0.194 0.000 2.075 288 R HA -0.190 4.151 4.340 0.001 0.000 0.232 288 R C 2.362 178.554 176.300 -0.181 0.000 1.126 288 R CA 1.551 57.531 56.100 -0.200 0.000 0.963 288 R CB -0.537 29.700 30.300 -0.106 0.000 0.858 288 R HN 0.353 nan 8.270 nan 0.000 0.435 289 Y N 1.464 121.618 120.300 -0.245 0.000 2.081 289 Y HA -0.321 4.230 4.550 0.001 0.000 0.280 289 Y C 2.101 177.783 175.900 -0.364 0.000 1.163 289 Y CA 1.823 59.783 58.100 -0.234 0.000 1.135 289 Y CB -0.209 38.137 38.460 -0.191 0.000 0.970 289 Y HN -0.077 nan 8.280 nan 0.000 0.498 290 I N -0.431 119.964 120.570 -0.291 0.000 2.091 290 I HA -0.368 3.802 4.170 0.001 0.000 0.239 290 I C 2.380 178.148 176.117 -0.582 0.000 1.061 290 I CA 1.628 62.527 61.300 -0.668 0.000 1.317 290 I CB -0.729 36.670 38.000 -1.001 0.000 1.031 290 I HN 0.331 nan 8.210 nan 0.000 0.401 291 L N 0.641 121.520 121.223 -0.574 0.000 2.021 291 L HA -0.293 4.047 4.340 0.001 0.000 0.215 291 L C 2.612 179.336 176.870 -0.244 0.000 1.074 291 L CA 1.943 56.488 54.840 -0.492 0.000 0.760 291 L CB -0.546 41.161 42.059 -0.587 0.000 0.889 291 L HN 0.097 nan 8.230 nan 0.000 0.433 292 R N -1.026 119.330 120.500 -0.239 0.000 2.083 292 R HA -0.150 4.190 4.340 0.001 0.000 0.237 292 R C 2.479 178.718 176.300 -0.101 0.000 1.137 292 R CA 1.793 57.791 56.100 -0.169 0.000 0.951 292 R CB -0.183 29.979 30.300 -0.231 0.000 0.851 292 R HN 0.388 nan 8.270 nan 0.000 0.434 293 R N -0.955 119.483 120.500 -0.104 0.000 2.083 293 R HA -0.179 4.162 4.340 0.001 0.000 0.237 293 R C 2.191 178.561 176.300 0.116 0.000 1.137 293 R CA 1.599 57.702 56.100 0.006 0.000 0.951 293 R CB -0.485 29.849 30.300 0.058 0.000 0.851 293 R HN 0.272 nan 8.270 nan 0.000 0.434 294 Y N 0.831 121.059 120.300 -0.121 0.000 2.114 294 Y HA -0.242 4.309 4.550 0.001 0.000 0.282 294 Y C 2.487 178.340 175.900 -0.078 0.000 1.165 294 Y CA 0.888 58.923 58.100 -0.110 0.000 1.148 294 Y CB -0.911 37.495 38.460 -0.090 0.000 0.972 294 Y HN -0.177 nan 8.280 nan 0.000 0.504 295 V N 0.022 119.998 119.914 0.104 0.000 2.255 295 V HA -0.333 3.788 4.120 0.001 0.000 0.247 295 V C 2.247 178.360 176.094 0.032 0.000 1.051 295 V CA 2.115 64.449 62.300 0.056 0.000 1.018 295 V CB -0.756 31.080 31.823 0.022 0.000 0.641 295 V HN 0.311 nan 8.190 nan 0.000 0.445 296 K N 0.692 121.102 120.400 0.017 0.000 2.015 296 K HA -0.250 4.071 4.320 0.001 0.000 0.216 296 K C 2.332 178.956 176.600 0.041 0.000 1.052 296 K CA 1.876 58.172 56.287 0.016 0.000 0.937 296 K CB -0.647 31.857 32.500 0.007 0.000 0.719 296 K HN 0.478 nan 8.250 nan 0.000 0.446 297 A N 0.864 123.704 122.820 0.034 0.000 1.978 297 A HA -0.116 4.205 4.320 0.001 0.000 0.220 297 A C 1.852 179.504 177.584 0.114 0.000 1.170 297 A CA 1.363 53.426 52.037 0.043 0.000 0.636 297 A CB -0.245 18.730 19.000 -0.041 0.000 0.810 297 A HN 0.233 nan 8.150 nan 0.000 0.448 298 L N -2.311 118.957 121.223 0.075 0.000 2.858 298 L HA 0.188 4.529 4.340 0.001 0.000 0.251 298 L C 2.146 179.154 176.870 0.229 0.000 1.149 298 L CA 0.035 54.955 54.840 0.135 0.000 0.955 298 L CB -0.206 41.758 42.059 -0.158 0.000 1.289 298 L HN 0.424 nan 8.230 nan 0.000 0.542 299 R N 1.145 121.716 120.500 0.118 0.000 2.127 299 R HA -0.181 4.159 4.340 0.001 0.000 0.238 299 R C 0.535 176.829 176.300 -0.009 0.000 1.134 299 R CA 1.802 57.913 56.100 0.019 0.000 0.975 299 R CB 0.140 30.426 30.300 -0.024 0.000 0.865 299 R HN 0.278 nan 8.270 nan 0.000 0.447 300 D N -0.946 119.454 120.400 -0.000 0.000 2.319 300 D HA -0.016 4.625 4.640 0.001 0.000 0.230 300 D C -0.090 176.010 176.300 -0.333 0.000 1.094 300 D CA 0.506 54.384 54.000 -0.203 0.000 0.856 300 D CB 0.221 40.799 40.800 -0.370 0.000 0.915 300 D HN 0.362 nan 8.370 nan 0.000 0.517 301 Y N -0.918 119.452 120.300 0.116 0.000 2.500 301 Y HA 0.380 4.931 4.550 0.001 0.000 0.246 301 Y C 1.695 177.680 175.900 0.143 0.000 1.146 301 Y CA -0.225 57.978 58.100 0.172 0.000 1.230 301 Y CB 1.245 39.827 38.460 0.203 0.000 1.214 301 Y HN 0.015 nan 8.280 nan 0.000 0.526 302 G N -1.301 107.614 108.800 0.192 0.000 2.164 302 G HA2 -0.213 3.748 3.960 0.001 0.000 0.154 302 G HA3 -0.213 3.748 3.960 0.001 0.000 0.154 302 G C -0.599 174.421 174.900 0.201 0.000 1.014 302 G CA -0.852 44.280 45.100 0.054 0.000 0.683 302 G HN 0.194 nan 8.290 nan 0.000 0.500 303 W N 0.148 121.617 121.300 0.281 0.000 2.433 303 W HA 0.752 5.413 4.660 0.002 0.000 0.315 303 W C -0.492 176.149 176.519 0.203 0.000 1.087 303 W CA -0.942 56.635 57.345 0.386 0.000 1.205 303 W CB 1.029 30.645 29.460 0.259 0.000 1.288 303 W HN 0.094 nan 8.180 nan 0.000 0.504 304 Y N 4.480 125.046 120.300 0.445 0.000 2.555 304 Y HA 0.438 4.989 4.550 0.002 0.000 0.326 304 Y C -0.173 175.903 175.900 0.293 0.000 0.984 304 Y CA -1.292 56.978 58.100 0.284 0.000 1.298 304 Y CB 0.397 38.966 38.460 0.183 0.000 1.094 304 Y HN 0.122 nan 8.280 nan 0.000 0.500 305 I N 2.051 122.825 120.570 0.340 0.000 2.312 305 I HA 0.227 4.398 4.170 0.001 0.000 0.290 305 I C 0.529 176.764 176.117 0.198 0.000 1.008 305 I CA -0.651 60.813 61.300 0.274 0.000 1.226 305 I CB 1.271 39.413 38.000 0.237 0.000 1.371 305 I HN 0.455 nan 8.210 nan 0.000 0.468 306 S N 8.147 123.973 115.700 0.210 0.000 2.537 306 S HA 0.203 4.674 4.470 0.001 0.000 0.286 306 S C -1.480 173.232 174.600 0.186 0.000 1.299 306 S CA -0.891 57.413 58.200 0.174 0.000 1.067 306 S CB 0.649 63.938 63.200 0.149 0.000 0.864 306 S HN 0.475 nan 8.310 nan 0.000 0.494 307 P HA 0.217 nan 4.420 nan 0.000 0.255 307 P C -0.485 176.933 177.300 0.197 0.000 1.248 307 P CA 0.248 63.407 63.100 0.098 0.000 0.807 307 P CB 0.041 31.763 31.700 0.036 0.000 1.150 308 E N 0.588 120.913 120.200 0.207 0.000 2.158 308 E HA 0.218 4.569 4.350 0.001 0.000 0.271 308 E C -0.493 176.129 176.600 0.035 0.000 0.911 308 E CA -0.785 55.695 56.400 0.133 0.000 0.767 308 E CB 1.082 30.817 29.700 0.058 0.000 1.120 308 E HN 0.017 nan 8.360 nan 0.000 0.405 309 E N 2.588 122.709 120.200 -0.132 0.000 2.502 309 E HA -0.079 4.272 4.350 0.001 0.000 0.261 309 E C -0.029 176.427 176.600 -0.240 0.000 0.974 309 E CA 0.402 56.521 56.400 -0.468 0.000 0.936 309 E CB 0.352 29.844 29.700 -0.347 0.000 0.926 309 E HN 0.243 nan 8.360 nan 0.000 0.459 310 E N 1.968 122.003 120.200 -0.275 0.000 2.442 310 E HA 0.018 4.368 4.350 0.001 0.000 0.260 310 E C -0.128 176.454 176.600 -0.030 0.000 1.148 310 E CA 0.403 56.753 56.400 -0.083 0.000 0.976 310 E CB 0.516 30.110 29.700 -0.176 0.000 0.967 310 E HN 0.281 nan 8.360 nan 0.000 0.454 311 R N -0.420 120.160 120.500 0.133 0.000 2.711 311 R HA 0.489 4.830 4.340 0.001 0.000 0.284 311 R C -0.646 175.823 176.300 0.281 0.000 0.968 311 R CA -0.558 55.635 56.100 0.155 0.000 0.924 311 R CB 1.713 32.079 30.300 0.110 0.000 1.162 311 R HN 0.579 nan 8.270 nan 0.000 0.465 312 A N 2.296 125.287 122.820 0.286 0.000 2.565 312 A HA -0.032 4.288 4.320 0.001 0.000 0.237 312 A C 0.941 178.508 177.584 -0.030 0.000 1.053 312 A CA 0.337 52.548 52.037 0.290 0.000 0.755 312 A CB 0.236 19.501 19.000 0.442 0.000 0.980 312 A HN 0.898 nan 8.150 nan 0.000 0.506 313 K N 1.296 121.489 120.400 -0.345 0.000 2.147 313 K HA 0.058 4.379 4.320 0.001 0.000 0.205 313 K C 0.942 177.193 176.600 -0.582 0.000 1.049 313 K CA 1.335 57.287 56.287 -0.558 0.000 0.936 313 K CB -0.086 31.935 32.500 -0.798 0.000 0.722 313 K HN 1.126 nan 8.250 nan 0.000 0.446 314 G N -0.113 108.210 108.800 -0.795 0.000 2.333 314 G HA2 0.077 4.037 3.960 0.001 0.000 0.288 314 G HA3 0.077 4.037 3.960 0.001 0.000 0.288 314 G C -1.874 172.749 174.900 -0.461 0.000 1.286 314 G CA -0.829 43.975 45.100 -0.493 0.000 0.865 314 G HN 0.031 nan 8.290 nan 0.000 0.506 315 K N 0.485 120.748 120.400 -0.229 0.000 2.450 315 K HA 0.651 4.972 4.320 0.001 0.000 0.257 315 K C -0.231 176.412 176.600 0.071 0.000 0.953 315 K CA -0.711 55.481 56.287 -0.159 0.000 0.844 315 K CB 0.985 33.224 32.500 -0.434 0.000 1.103 315 K HN 0.468 nan 8.250 nan 0.000 0.429 316 L N 3.139 124.449 121.223 0.146 0.000 2.436 316 L HA 0.277 4.618 4.340 0.001 0.000 0.265 316 L C 0.478 177.420 176.870 0.120 0.000 1.168 316 L CA -0.758 54.123 54.840 0.068 0.000 0.815 316 L CB 0.492 42.533 42.059 -0.030 0.000 1.109 316 L HN 0.612 nan 8.230 nan 0.000 0.462 317 N N 1.610 120.346 118.700 0.060 0.000 2.489 317 N HA 0.660 5.401 4.740 0.001 0.000 0.284 317 N C -0.950 174.632 175.510 0.119 0.000 1.158 317 N CA -0.242 52.803 53.050 -0.008 0.000 0.965 317 N CB 2.033 40.467 38.487 -0.088 0.000 1.195 317 N HN 0.430 nan 8.380 nan 0.000 0.506 318 F N -1.946 117.959 119.950 -0.075 0.000 2.668 318 F HA 0.486 5.014 4.527 0.001 0.000 0.309 318 F C -0.497 175.262 175.800 -0.069 0.000 1.117 318 F CA -1.408 56.546 58.000 -0.076 0.000 0.951 318 F CB 0.893 39.838 39.000 -0.091 0.000 1.323 318 F HN -0.123 nan 8.300 nan 0.000 0.451 319 K N 2.026 122.451 120.400 0.040 0.000 2.412 319 K HA 0.137 4.458 4.320 0.001 0.000 0.281 319 K C -0.092 176.492 176.600 -0.027 0.000 1.027 319 K CA 0.186 56.445 56.287 -0.046 0.000 0.989 319 K CB 0.540 33.050 32.500 0.017 0.000 0.935 319 K HN 0.899 nan 8.250 nan 0.000 0.475 320 D N 0.106 120.404 120.400 -0.171 0.000 2.539 320 D HA 0.013 4.653 4.640 0.001 0.000 0.232 320 D C -0.437 175.793 176.300 -0.118 0.000 1.256 320 D CA -0.298 53.625 54.000 -0.129 0.000 0.810 320 D CB 0.259 40.856 40.800 -0.337 0.000 1.090 320 D HN 0.117 nan 8.370 nan 0.000 0.519 321 T N 0.601 115.100 114.554 -0.093 0.000 2.882 321 T HA 0.523 4.874 4.350 0.001 0.000 0.287 321 T C -0.263 174.416 174.700 -0.035 0.000 0.992 321 T CA -0.334 61.718 62.100 -0.081 0.000 1.076 321 T CB 2.400 71.234 68.868 -0.058 0.000 0.961 321 T HN -0.111 nan 8.240 nan 0.000 0.490 322 V N 3.661 123.541 119.914 -0.056 0.000 2.962 322 V HA 0.777 4.898 4.120 0.001 0.000 0.313 322 V C -0.971 175.207 176.094 0.139 0.000 1.099 322 V CA -0.905 61.402 62.300 0.012 0.000 0.971 322 V CB 1.976 33.691 31.823 -0.180 0.000 1.028 322 V HN 0.817 nan 8.190 nan 0.000 0.430 323 L N 1.048 122.459 121.223 0.313 0.000 2.415 323 L HA 0.876 5.216 4.340 0.001 0.000 0.256 323 L C -0.736 176.471 176.870 0.561 0.000 1.010 323 L CA -0.692 54.399 54.840 0.419 0.000 0.826 323 L CB 2.036 44.271 42.059 0.294 0.000 1.405 323 L HN 0.645 nan 8.230 nan 0.000 0.410 324 D N 1.324 121.956 120.400 0.387 0.000 2.567 324 D HA 0.385 5.026 4.640 0.001 0.000 0.275 324 D C 1.038 177.090 176.300 -0.414 0.000 1.195 324 D CA -0.110 53.933 54.000 0.072 0.000 1.087 324 D CB 1.175 41.948 40.800 -0.044 0.000 1.165 324 D HN 0.771 nan 8.370 nan 0.000 0.609 325 A N -0.907 121.327 122.820 -0.977 0.000 2.234 325 A HA -0.128 4.193 4.320 0.001 0.000 0.216 325 A C 1.347 178.775 177.584 -0.259 0.000 1.167 325 A CA 1.147 52.684 52.037 -0.832 0.000 0.698 325 A CB -0.514 18.093 19.000 -0.656 0.000 0.779 325 A HN 0.490 nan 8.150 nan 0.000 0.475 326 K N -2.315 117.985 120.400 -0.167 0.000 2.589 326 K HA 0.305 4.625 4.320 0.001 0.000 0.198 326 K C 0.681 177.271 176.600 -0.017 0.000 1.114 326 K CA 0.325 56.569 56.287 -0.072 0.000 1.070 326 K CB 0.589 33.034 32.500 -0.091 0.000 0.860 326 K HN 0.548 nan 8.250 nan 0.000 0.536 327 G N 2.265 111.084 108.800 0.032 0.000 2.159 327 G HA2 -0.311 3.649 3.960 0.001 0.000 0.256 327 G HA3 -0.311 3.649 3.960 0.001 0.000 0.256 327 G C -0.025 174.923 174.900 0.080 0.000 0.977 327 G CA 0.122 45.270 45.100 0.082 0.000 0.652 327 G HN 0.245 nan 8.290 nan 0.000 0.531 328 K N 0.574 121.003 120.400 0.048 0.000 2.412 328 K HA 0.236 4.557 4.320 0.001 0.000 0.281 328 K C -0.086 176.645 176.600 0.219 0.000 1.027 328 K CA -0.123 56.194 56.287 0.050 0.000 0.989 328 K CB 0.056 32.490 32.500 -0.110 0.000 0.935 328 K HN 0.284 nan 8.250 nan 0.000 0.475 329 N N 1.578 120.403 118.700 0.209 0.000 2.443 329 N HA 0.475 5.215 4.740 0.001 0.000 0.293 329 N C -1.183 174.466 175.510 0.231 0.000 1.159 329 N CA -0.459 52.726 53.050 0.225 0.000 0.904 329 N CB 2.113 40.663 38.487 0.105 0.000 1.214 329 N HN 0.557 nan 8.380 nan 0.000 0.513 330 T N -1.936 112.658 114.554 0.067 0.000 2.802 330 T HA 0.417 4.767 4.350 0.001 0.000 0.311 330 T C -0.510 174.105 174.700 -0.142 0.000 1.405 330 T CA -0.932 61.140 62.100 -0.047 0.000 1.016 330 T CB 1.576 70.391 68.868 -0.087 0.000 1.352 330 T HN 0.173 nan 8.240 nan 0.000 0.498 331 K N 0.408 120.726 120.400 -0.137 0.000 2.258 331 K HA 0.538 4.859 4.320 0.001 0.000 0.264 331 K C -0.711 175.760 176.600 -0.214 0.000 1.007 331 K CA -0.482 55.700 56.287 -0.176 0.000 0.941 331 K CB 0.727 33.124 32.500 -0.172 0.000 0.966 331 K HN 0.344 nan 8.250 nan 0.000 0.480 332 V N 5.009 124.791 119.914 -0.219 0.000 2.235 332 V HA 0.096 4.217 4.120 0.001 0.000 0.266 332 V C 0.068 176.072 176.094 -0.151 0.000 1.055 332 V CA -0.135 62.024 62.300 -0.236 0.000 0.844 332 V CB 0.613 32.270 31.823 -0.277 0.000 1.097 332 V HN 0.703 nan 8.190 nan 0.000 0.453 333 I N 3.045 123.529 120.570 -0.143 0.000 2.947 333 I HA 0.062 4.233 4.170 0.001 0.000 0.263 333 I C 1.818 177.923 176.117 -0.020 0.000 1.130 333 I CA 1.928 63.173 61.300 -0.091 0.000 1.448 333 I CB 0.657 38.551 38.000 -0.176 0.000 1.222 333 I HN 0.508 nan 8.210 nan 0.000 0.453 334 T N 0.273 114.792 114.554 -0.058 0.000 3.587 334 T HA 0.283 4.633 4.350 0.001 0.000 0.221 334 T C 0.697 175.300 174.700 -0.160 0.000 0.921 334 T CA -0.037 62.035 62.100 -0.046 0.000 1.426 334 T CB -0.037 68.813 68.868 -0.030 0.000 1.340 334 T HN 0.072 nan 8.240 nan 0.000 0.423 335 N N 0.303 118.864 118.700 -0.231 0.000 2.906 335 N HA 0.563 5.304 4.740 0.001 0.000 0.327 335 N C -1.053 174.293 175.510 -0.275 0.000 1.344 335 N CA -0.504 52.309 53.050 -0.395 0.000 0.823 335 N CB 1.261 39.419 38.487 -0.547 0.000 1.351 335 N HN 0.088 nan 8.380 nan 0.000 0.604 336 L N 1.240 122.326 121.223 -0.230 0.000 2.913 336 L HA 0.373 4.713 4.340 0.001 0.000 0.283 336 L C 1.598 178.536 176.870 0.112 0.000 1.336 336 L CA -0.141 54.672 54.840 -0.044 0.000 0.815 336 L CB 0.795 42.820 42.059 -0.057 0.000 1.188 336 L HN 0.399 nan 8.230 nan 0.000 0.551 337 R N 0.905 121.393 120.500 -0.021 0.000 2.065 337 R HA -0.059 4.282 4.340 0.001 0.000 0.224 337 R C 1.825 178.170 176.300 0.074 0.000 1.161 337 R CA 1.353 57.451 56.100 -0.004 0.000 0.923 337 R CB 0.171 30.352 30.300 -0.197 0.000 0.822 337 R HN 0.301 nan 8.270 nan 0.000 0.437 338 K N -0.001 120.429 120.400 0.049 0.000 2.000 338 K HA -0.248 4.072 4.320 0.001 0.000 0.218 338 K C 2.079 178.757 176.600 0.130 0.000 1.053 338 K CA 2.174 58.507 56.287 0.075 0.000 0.946 338 K CB -0.655 31.879 32.500 0.057 0.000 0.723 338 K HN 0.113 nan 8.250 nan 0.000 0.446 339 F N 1.631 121.588 119.950 0.012 0.000 2.041 339 F HA -0.345 4.183 4.527 0.001 0.000 0.296 339 F C 2.278 178.131 175.800 0.088 0.000 1.147 339 F CA 1.850 59.867 58.000 0.030 0.000 1.214 339 F CB -0.631 38.366 39.000 -0.005 0.000 0.947 339 F HN -0.017 nan 8.300 nan 0.000 0.511 340 L N -0.072 121.418 121.223 0.444 0.000 2.189 340 L HA -0.278 4.062 4.340 0.001 0.000 0.214 340 L C 2.319 179.405 176.870 0.361 0.000 1.097 340 L CA 1.732 56.815 54.840 0.406 0.000 0.764 340 L CB -0.578 41.728 42.059 0.413 0.000 0.900 340 L HN 0.333 nan 8.230 nan 0.000 0.436 341 E N -0.504 119.861 120.200 0.274 0.000 2.031 341 E HA -0.234 4.117 4.350 0.001 0.000 0.193 341 E C 2.093 178.771 176.600 0.130 0.000 0.994 341 E CA 1.423 58.001 56.400 0.297 0.000 0.800 341 E CB -0.107 29.702 29.700 0.182 0.000 0.752 341 E HN 0.422 nan 8.360 nan 0.000 0.447 342 L N 0.757 121.979 121.223 -0.001 0.000 2.004 342 L HA -0.044 4.296 4.340 0.001 0.000 0.205 342 L C 1.522 178.276 176.870 -0.195 0.000 1.089 342 L CA 0.328 55.098 54.840 -0.117 0.000 0.756 342 L CB -0.952 41.012 42.059 -0.157 0.000 0.900 342 L HN 0.320 nan 8.230 nan 0.000 0.440 343 C N 1.446 120.540 119.300 -0.344 0.000 2.006 343 C HA -0.138 4.323 4.460 0.001 0.000 0.402 343 C C 0.853 175.720 174.990 -0.205 0.000 1.489 343 C CA -0.716 58.087 59.018 -0.358 0.000 1.533 343 C CB -1.020 26.463 27.740 -0.428 0.000 2.688 343 C HN 0.544 nan 8.230 nan 0.000 0.551 344 R N 4.746 125.117 120.500 -0.214 0.000 2.295 344 R HA 0.584 4.925 4.340 0.001 0.000 0.324 344 R C -2.498 173.653 176.300 -0.247 0.000 0.968 344 R CA -1.499 54.479 56.100 -0.204 0.000 0.837 344 R CB 1.166 31.345 30.300 -0.203 0.000 1.133 344 R HN 0.633 nan 8.270 nan 0.000 0.450 345 P HA 0.085 nan 4.420 nan 0.000 0.274 345 P C -0.858 176.312 177.300 -0.216 0.000 1.231 345 P CA -0.209 62.809 63.100 -0.136 0.000 0.790 345 P CB 0.409 32.101 31.700 -0.013 0.000 0.951 346 F N 0.688 120.647 119.950 0.014 0.000 2.659 346 F HA 0.033 4.561 4.527 0.001 0.000 0.356 346 F C 0.617 176.407 175.800 -0.017 0.000 1.273 346 F CA -0.078 57.924 58.000 0.004 0.000 1.243 346 F CB -1.065 37.942 39.000 0.013 0.000 1.683 346 F HN -0.050 nan 8.300 nan 0.000 0.679 347 V N 3.102 123.056 119.914 0.068 0.000 2.540 347 V HA -0.092 4.029 4.120 0.001 0.000 0.297 347 V C 1.202 177.325 176.094 0.047 0.000 1.024 347 V CA 0.311 62.632 62.300 0.035 0.000 1.105 347 V CB 0.799 32.619 31.823 -0.006 0.000 0.938 347 V HN 0.637 nan 8.190 nan 0.000 0.482 348 K N 3.200 123.620 120.400 0.033 0.000 2.374 348 K HA 0.280 4.601 4.320 0.001 0.000 0.202 348 K C 0.332 176.937 176.600 0.008 0.000 1.040 348 K CA 0.020 56.321 56.287 0.023 0.000 1.085 348 K CB 0.494 33.004 32.500 0.017 0.000 0.873 348 K HN 0.550 nan 8.250 nan 0.000 0.539 349 K N 1.152 121.553 120.400 0.002 0.000 2.636 349 K HA 0.011 4.331 4.320 0.001 0.000 0.286 349 K C -1.093 175.503 176.600 -0.008 0.000 1.100 349 K CA 0.019 56.303 56.287 -0.004 0.000 0.991 349 K CB 0.898 33.394 32.500 -0.006 0.000 1.323 349 K HN -0.004 nan 8.250 nan 0.000 0.478 350 D N 0.874 121.268 120.400 -0.010 0.000 2.347 350 D HA -0.018 4.623 4.640 0.001 0.000 0.215 350 D C 0.347 176.639 176.300 -0.014 0.000 0.976 350 D CA 0.182 54.174 54.000 -0.014 0.000 0.884 350 D CB 0.327 41.117 40.800 -0.016 0.000 0.915 350 D HN 0.025 nan 8.370 nan 0.000 0.526 351 V N 0.838 120.745 119.914 -0.011 0.000 2.581 351 V HA 0.366 4.487 4.120 0.001 0.000 0.303 351 V C -0.288 175.801 176.094 -0.009 0.000 1.041 351 V CA -0.879 61.416 62.300 -0.009 0.000 0.907 351 V CB 2.266 34.084 31.823 -0.008 0.000 0.994 351 V HN 0.167 nan 8.190 nan 0.000 0.442 352 L N 3.972 125.190 121.223 -0.008 0.000 2.442 352 L HA 0.378 4.719 4.340 0.001 0.000 0.261 352 L C 0.223 177.090 176.870 -0.006 0.000 1.000 352 L CA -0.260 54.575 54.840 -0.008 0.000 0.882 352 L CB 2.062 44.117 42.059 -0.008 0.000 1.207 352 L HN 0.838 nan 8.230 nan 0.000 0.443 353 S N 2.279 117.975 115.700 -0.006 0.000 2.510 353 S HA 0.550 5.020 4.470 0.001 0.000 0.279 353 S C -0.248 174.349 174.600 -0.005 0.000 1.284 353 S CA -0.596 57.601 58.200 -0.005 0.000 1.059 353 S CB 1.689 64.886 63.200 -0.007 0.000 0.901 353 S HN 0.267 nan 8.310 nan 0.000 0.491 354 V N 2.695 122.608 119.914 -0.001 0.000 2.733 354 V HA 0.459 4.579 4.120 0.001 0.000 0.306 354 V C -0.578 175.519 176.094 0.006 0.000 1.084 354 V CA -0.667 61.634 62.300 0.000 0.000 0.905 354 V CB 2.020 33.845 31.823 0.004 0.000 1.010 354 V HN 1.008 nan 8.190 nan 0.000 0.424 355 E N 4.159 124.360 120.200 0.002 0.000 2.145 355 E HA 0.599 4.950 4.350 0.001 0.000 0.270 355 E C -1.145 175.464 176.600 0.016 0.000 0.906 355 E CA -0.450 55.955 56.400 0.008 0.000 0.761 355 E CB 1.356 31.055 29.700 -0.002 0.000 1.116 355 E HN 0.610 nan 8.360 nan 0.000 0.408 356 I N 5.516 126.112 120.570 0.044 0.000 2.385 356 I HA 0.357 4.528 4.170 0.001 0.000 0.294 356 I C -0.230 175.938 176.117 0.085 0.000 0.988 356 I CA -0.546 60.803 61.300 0.082 0.000 1.265 356 I CB 1.068 39.163 38.000 0.157 0.000 1.388 356 I HN 0.480 nan 8.210 nan 0.000 0.480 357 I N 4.956 125.579 120.570 0.089 0.000 2.582 357 I HA 0.362 4.532 4.170 0.001 0.000 0.292 357 I C -0.541 175.683 176.117 0.178 0.000 1.066 357 I CA -0.252 61.104 61.300 0.094 0.000 1.053 357 I CB 2.233 40.253 38.000 0.034 0.000 1.241 357 I HN 0.549 nan 8.210 nan 0.000 0.421 358 S N 4.249 120.059 115.700 0.183 0.000 2.548 358 S HA 0.731 5.201 4.470 0.001 0.000 0.286 358 S C -0.857 173.812 174.600 0.115 0.000 1.098 358 S CA -0.800 57.533 58.200 0.222 0.000 0.930 358 S CB 2.169 65.514 63.200 0.242 0.000 1.070 358 S HN 0.253 nan 8.310 nan 0.000 0.480 359 V N 2.106 122.091 119.914 0.118 0.000 2.266 359 V HA 0.619 4.739 4.120 0.001 0.000 0.271 359 V C 0.179 176.314 176.094 0.069 0.000 1.032 359 V CA -0.143 62.212 62.300 0.091 0.000 0.806 359 V CB 0.151 32.035 31.823 0.101 0.000 1.052 359 V HN 0.993 nan 8.190 nan 0.000 0.449 360 S N 3.126 118.799 115.700 -0.045 0.000 2.874 360 S HA 0.741 5.212 4.470 0.001 0.000 0.318 360 S C 0.202 174.598 174.600 -0.339 0.000 1.109 360 S CA -0.323 57.718 58.200 -0.266 0.000 0.878 360 S CB 2.342 65.364 63.200 -0.297 0.000 1.307 360 S HN 0.216 nan 8.310 nan 0.000 0.592 361 V N 1.007 120.499 119.914 -0.703 0.000 3.392 361 V HA 0.361 4.482 4.120 0.001 0.000 0.294 361 V C -1.494 174.471 176.094 -0.216 0.000 1.561 361 V CA -0.177 61.901 62.300 -0.368 0.000 1.056 361 V CB -0.269 31.443 31.823 -0.186 0.000 0.882 361 V HN 0.729 nan 8.190 nan 0.000 0.440 362 Y N -1.500 118.814 120.300 0.023 0.000 2.581 362 Y HA 0.713 5.264 4.550 0.001 0.000 0.345 362 Y C 0.109 176.026 175.900 0.028 0.000 1.036 362 Y CA -1.533 56.581 58.100 0.023 0.000 1.042 362 Y CB 1.383 39.856 38.460 0.022 0.000 1.289 362 Y HN -0.167 nan 8.280 nan 0.000 0.471 363 K N 0.515 121.041 120.400 0.209 0.000 2.896 363 K HA 0.374 4.694 4.320 0.001 0.000 0.210 363 K C -0.492 176.186 176.600 0.129 0.000 1.116 363 K CA -0.197 56.164 56.287 0.122 0.000 1.050 363 K CB 0.536 33.083 32.500 0.079 0.000 0.812 363 K HN 0.599 nan 8.250 nan 0.000 0.462 364 K N 0.284 120.794 120.400 0.183 0.000 2.603 364 K HA 0.204 4.525 4.320 0.001 0.000 0.195 364 K C 0.438 177.247 176.600 0.348 0.000 1.213 364 K CA -0.116 56.303 56.287 0.220 0.000 1.084 364 K CB 0.733 33.301 32.500 0.113 0.000 0.981 364 K HN 0.018 nan 8.250 nan 0.000 0.577 365 L N 1.238 122.637 121.223 0.294 0.000 2.492 365 L HA 0.074 4.415 4.340 0.001 0.000 0.223 365 L C 0.930 177.834 176.870 0.058 0.000 1.132 365 L CA 1.639 56.621 54.840 0.237 0.000 0.850 365 L CB 0.052 42.309 42.059 0.330 0.000 0.966 365 L HN 0.188 nan 8.230 nan 0.000 0.454 366 E N -1.392 118.846 120.200 0.062 0.000 2.274 366 E HA -0.248 4.103 4.350 0.001 0.000 0.194 366 E C 1.606 178.226 176.600 0.034 0.000 0.996 366 E CA 0.919 57.303 56.400 -0.028 0.000 0.840 366 E CB -0.261 29.439 29.700 0.000 0.000 0.772 366 E HN 0.560 nan 8.360 nan 0.000 0.491 367 W N 1.721 123.004 121.300 -0.028 0.000 2.335 367 W HA -0.204 4.456 4.660 0.001 0.000 0.311 367 W C 1.551 178.065 176.519 -0.008 0.000 1.213 367 W CA 1.620 58.957 57.345 -0.012 0.000 1.274 367 W CB -0.195 29.263 29.460 -0.004 0.000 1.148 367 W HN -0.123 nan 8.180 nan 0.000 0.498 368 R N 0.404 120.533 120.500 -0.618 0.000 2.073 368 R HA -0.080 4.261 4.340 0.001 0.000 0.229 368 R C 2.273 178.386 176.300 -0.311 0.000 1.120 368 R CA 1.730 57.415 56.100 -0.691 0.000 0.967 368 R CB -0.507 29.424 30.300 -0.616 0.000 0.862 368 R HN 0.206 nan 8.270 nan 0.000 0.436 369 K N 1.137 121.360 120.400 -0.295 0.000 1.965 369 K HA -0.197 4.124 4.320 0.001 0.000 0.218 369 K C 2.050 178.585 176.600 -0.109 0.000 1.048 369 K CA 1.842 57.904 56.287 -0.374 0.000 0.960 369 K CB -0.187 31.860 32.500 -0.755 0.000 0.732 369 K HN 0.025 nan 8.250 nan 0.000 0.444 370 E N 0.756 120.904 120.200 -0.087 0.000 2.209 370 E HA -0.198 4.153 4.350 0.001 0.000 0.196 370 E C 1.855 178.472 176.600 0.028 0.000 0.993 370 E CA 1.258 57.657 56.400 -0.001 0.000 0.819 370 E CB 0.047 29.758 29.700 0.018 0.000 0.745 370 E HN 0.274 nan 8.360 nan 0.000 0.477 371 E N -0.751 119.458 120.200 0.015 0.000 2.047 371 E HA -0.153 4.198 4.350 0.001 0.000 0.191 371 E C 1.592 178.235 176.600 0.072 0.000 0.987 371 E CA 0.784 57.202 56.400 0.030 0.000 0.799 371 E CB -0.131 29.558 29.700 -0.018 0.000 0.752 371 E HN 0.219 nan 8.360 nan 0.000 0.449 372 F N 1.433 121.346 119.950 -0.062 0.000 2.026 372 F HA -0.246 4.281 4.527 0.001 0.000 0.296 372 F C 1.844 177.669 175.800 0.042 0.000 1.133 372 F CA 1.520 59.516 58.000 -0.006 0.000 1.188 372 F CB -0.601 38.413 39.000 0.024 0.000 0.968 372 F HN -0.031 nan 8.300 nan 0.000 0.476 373 L N 0.262 121.484 121.223 -0.002 0.000 1.991 373 L HA -0.369 3.971 4.340 0.001 0.000 0.221 373 L C 2.620 179.427 176.870 -0.104 0.000 1.079 373 L CA 2.216 57.015 54.840 -0.070 0.000 0.778 373 L CB -0.920 41.188 42.059 0.082 0.000 0.893 373 L HN 0.174 nan 8.230 nan 0.000 0.437 374 K N -0.113 120.265 120.400 -0.037 0.000 2.001 374 K HA -0.257 4.063 4.320 0.001 0.000 0.214 374 K C 2.017 178.592 176.600 -0.042 0.000 1.050 374 K CA 2.024 58.298 56.287 -0.021 0.000 0.934 374 K CB -0.225 32.281 32.500 0.011 0.000 0.718 374 K HN 0.210 nan 8.250 nan 0.000 0.443 375 E N 0.883 121.050 120.200 -0.055 0.000 2.209 375 E HA -0.160 4.191 4.350 0.001 0.000 0.196 375 E C 1.832 178.385 176.600 -0.079 0.000 0.993 375 E CA 0.775 57.150 56.400 -0.041 0.000 0.819 375 E CB -0.047 29.645 29.700 -0.013 0.000 0.745 375 E HN 0.207 nan 8.360 nan 0.000 0.477 376 L N -0.173 120.918 121.223 -0.220 0.000 1.961 376 L HA -0.197 4.144 4.340 0.001 0.000 0.210 376 L C 2.221 179.082 176.870 -0.014 0.000 1.072 376 L CA 1.277 55.998 54.840 -0.197 0.000 0.749 376 L CB -0.470 41.378 42.059 -0.353 0.000 0.889 376 L HN 0.170 nan 8.230 nan 0.000 0.432 377 I N 0.313 120.862 120.570 -0.035 0.000 2.145 377 I HA -0.375 3.796 4.170 0.001 0.000 0.244 377 I C 2.338 178.469 176.117 0.023 0.000 1.075 377 I CA 1.978 63.278 61.300 -0.001 0.000 1.332 377 I CB -0.747 37.248 38.000 -0.008 0.000 1.033 377 I HN 0.455 nan 8.210 nan 0.000 0.410 378 N N 1.425 120.144 118.700 0.032 0.000 2.036 378 N HA -0.321 4.419 4.740 0.001 0.000 0.195 378 N C 1.931 177.476 175.510 0.059 0.000 1.037 378 N CA 1.845 54.920 53.050 0.041 0.000 0.855 378 N CB -0.617 37.900 38.487 0.050 0.000 1.033 378 N HN 0.341 nan 8.380 nan 0.000 0.423 379 F N 0.363 120.288 119.950 -0.041 0.000 2.171 379 F HA 0.025 4.553 4.527 0.001 0.000 0.300 379 F C 1.781 177.562 175.800 -0.032 0.000 1.090 379 F CA 1.226 59.207 58.000 -0.032 0.000 1.293 379 F CB -0.132 38.846 39.000 -0.036 0.000 1.013 379 F HN 0.106 nan 8.300 nan 0.000 0.486 380 L N -0.140 121.117 121.223 0.058 0.000 2.131 380 L HA -0.124 4.217 4.340 0.001 0.000 0.206 380 L C 2.407 179.221 176.870 -0.093 0.000 1.087 380 L CA 1.126 55.956 54.840 -0.016 0.000 0.767 380 L CB -0.756 41.335 42.059 0.053 0.000 0.917 380 L HN -0.059 nan 8.230 nan 0.000 0.441 381 K N 0.387 120.748 120.400 -0.065 0.000 2.001 381 K HA -0.151 4.170 4.320 0.001 0.000 0.214 381 K C 1.417 177.948 176.600 -0.114 0.000 1.050 381 K CA 1.609 57.854 56.287 -0.070 0.000 0.934 381 K CB -0.270 32.204 32.500 -0.042 0.000 0.718 381 K HN 0.252 nan 8.250 nan 0.000 0.443 382 N N 1.275 119.883 118.700 -0.153 0.000 2.735 382 N HA -0.114 4.627 4.740 0.001 0.000 0.200 382 N C 0.382 175.736 175.510 -0.259 0.000 1.383 382 N CA 0.938 53.871 53.050 -0.194 0.000 0.939 382 N CB 0.128 38.485 38.487 -0.216 0.000 1.074 382 N HN 0.273 nan 8.380 nan 0.000 0.449 383 K N -1.872 118.387 120.400 -0.235 0.000 2.521 383 K HA 0.220 4.541 4.320 0.001 0.000 0.213 383 K C 0.775 177.295 176.600 -0.134 0.000 1.223 383 K CA 0.420 56.578 56.287 -0.215 0.000 1.013 383 K CB 1.604 33.947 32.500 -0.261 0.000 1.017 383 K HN 0.131 nan 8.250 nan 0.000 0.591 384 G N 1.879 110.615 108.800 -0.106 0.000 2.205 384 G HA2 -0.139 3.822 3.960 0.001 0.000 0.180 384 G HA3 -0.139 3.822 3.960 0.001 0.000 0.180 384 G C -0.070 174.798 174.900 -0.054 0.000 1.004 384 G CA -0.525 44.531 45.100 -0.073 0.000 0.670 384 G HN 0.131 nan 8.290 nan 0.000 0.496 385 I N 1.519 122.056 120.570 -0.054 0.000 2.389 385 I HA 0.392 4.562 4.170 0.001 0.000 0.288 385 I C -0.059 176.042 176.117 -0.028 0.000 0.999 385 I CA -0.800 60.479 61.300 -0.034 0.000 1.129 385 I CB 1.751 39.736 38.000 -0.025 0.000 1.288 385 I HN -0.118 nan 8.210 nan 0.000 0.444 386 K N 6.143 126.531 120.400 -0.021 0.000 2.234 386 K HA 0.453 4.774 4.320 0.001 0.000 0.277 386 K C -0.943 175.651 176.600 -0.010 0.000 1.038 386 K CA -0.879 55.398 56.287 -0.016 0.000 0.888 386 K CB 2.032 34.523 32.500 -0.014 0.000 1.091 386 K HN 0.292 nan 8.250 nan 0.000 0.467 387 L N 3.281 124.500 121.223 -0.007 0.000 2.275 387 L HA 0.291 4.631 4.340 0.001 0.000 0.288 387 L C -0.860 176.009 176.870 -0.001 0.000 1.046 387 L CA 0.032 54.870 54.840 -0.004 0.000 0.805 387 L CB 0.504 42.561 42.059 -0.003 0.000 1.193 387 L HN 0.462 nan 8.230 nan 0.000 0.426 388 K N 6.673 127.073 120.400 0.000 0.000 2.450 388 K HA 0.464 4.785 4.320 0.001 0.000 0.257 388 K C -0.954 175.650 176.600 0.006 0.000 0.953 388 K CA -0.601 55.687 56.287 0.003 0.000 0.844 388 K CB 1.688 34.188 32.500 0.000 0.000 1.103 388 K HN 0.604 nan 8.250 nan 0.000 0.429 389 I N 3.632 124.208 120.570 0.011 0.000 2.436 389 I HA -0.012 4.159 4.170 0.001 0.000 0.289 389 I C 1.607 177.731 176.117 0.013 0.000 1.083 389 I CA 0.150 61.460 61.300 0.016 0.000 1.372 389 I CB 0.573 38.589 38.000 0.025 0.000 1.408 389 I HN 0.580 nan 8.210 nan 0.000 0.516 390 K N 4.859 125.265 120.400 0.010 0.000 2.167 390 K HA 0.122 4.443 4.320 0.001 0.000 0.203 390 K C 0.655 177.261 176.600 0.010 0.000 1.052 390 K CA 0.640 56.931 56.287 0.007 0.000 0.956 390 K CB 0.337 32.838 32.500 0.002 0.000 0.735 390 K HN 0.895 nan 8.250 nan 0.000 0.451 391 G N 0.360 109.169 108.800 0.016 0.000 2.556 391 G HA2 0.266 4.227 3.960 0.001 0.000 0.294 391 G HA3 0.266 4.227 3.960 0.001 0.000 0.294 391 G C -1.887 173.031 174.900 0.030 0.000 1.516 391 G CA -0.838 44.273 45.100 0.019 0.000 0.824 391 G HN -0.005 nan 8.290 nan 0.000 0.535 392 K N -0.048 120.372 120.400 0.034 0.000 2.340 392 K HA 0.822 5.143 4.320 0.001 0.000 0.244 392 K C -0.737 175.887 176.600 0.040 0.000 0.973 392 K CA -0.951 55.366 56.287 0.049 0.000 0.828 392 K CB 2.313 34.847 32.500 0.057 0.000 1.226 392 K HN 0.744 nan 8.250 nan 0.000 0.437 393 S N 1.021 116.749 115.700 0.048 0.000 2.614 393 S HA 0.394 4.865 4.470 0.001 0.000 0.275 393 S C -0.695 173.930 174.600 0.042 0.000 1.161 393 S CA -1.000 57.221 58.200 0.036 0.000 0.969 393 S CB 0.602 63.816 63.200 0.023 0.000 1.059 393 S HN 0.436 nan 8.310 nan 0.000 0.482 394 L N 3.416 124.657 121.223 0.031 0.000 2.261 394 L HA 0.477 4.817 4.340 0.001 0.000 0.289 394 L C -0.459 176.421 176.870 0.015 0.000 1.059 394 L CA -0.549 54.306 54.840 0.024 0.000 0.816 394 L CB 0.518 42.584 42.059 0.012 0.000 1.191 394 L HN 0.635 nan 8.230 nan 0.000 0.431 395 I N 4.951 125.532 120.570 0.018 0.000 2.301 395 I HA 0.183 4.354 4.170 0.001 0.000 0.292 395 I C 0.122 176.245 176.117 0.010 0.000 1.046 395 I CA -0.371 60.936 61.300 0.012 0.000 1.282 395 I CB 1.036 39.042 38.000 0.011 0.000 1.409 395 I HN 0.402 nan 8.210 nan 0.000 0.484 396 L N 6.894 128.120 121.223 0.005 0.000 2.369 396 L HA 0.485 4.826 4.340 0.001 0.000 0.279 396 L C 0.328 177.216 176.870 0.030 0.000 1.108 396 L CA -0.083 54.760 54.840 0.005 0.000 0.852 396 L CB 0.665 42.725 42.059 0.002 0.000 1.169 396 L HN 0.672 nan 8.230 nan 0.000 0.452 397 A N 3.578 126.441 122.820 0.072 0.000 2.449 397 A HA 0.616 4.937 4.320 0.001 0.000 0.302 397 A C -0.286 177.441 177.584 0.238 0.000 1.048 397 A CA -0.499 51.612 52.037 0.124 0.000 0.708 397 A CB 2.147 21.198 19.000 0.085 0.000 1.274 397 A HN 0.786 nan 8.150 nan 0.000 0.410 398 Q N -0.010 119.912 119.800 0.204 0.000 2.652 398 Q HA 0.179 4.519 4.340 0.001 0.000 0.211 398 Q C 0.102 176.268 176.000 0.276 0.000 0.858 398 Q CA 0.651 56.576 55.803 0.202 0.000 0.895 398 Q CB 0.200 28.997 28.738 0.098 0.000 1.194 398 Q HN 0.767 nan 8.270 nan 0.000 0.645 399 T N 0.859 115.504 114.554 0.152 0.000 2.849 399 T HA 0.201 4.552 4.350 0.001 0.000 0.284 399 T C 0.834 175.539 174.700 0.009 0.000 1.004 399 T CA -0.415 61.754 62.100 0.116 0.000 1.021 399 T CB 1.047 69.948 68.868 0.055 0.000 1.013 399 T HN 0.133 nan 8.240 nan 0.000 0.527 400 R N 0.622 121.107 120.500 -0.026 0.000 2.083 400 R HA -0.133 4.208 4.340 0.001 0.000 0.237 400 R C 2.424 178.604 176.300 -0.199 0.000 1.137 400 R CA 1.713 57.688 56.100 -0.209 0.000 0.951 400 R CB -0.187 30.090 30.300 -0.039 0.000 0.851 400 R HN 0.728 nan 8.270 nan 0.000 0.434 401 E N 0.427 120.585 120.200 -0.071 0.000 2.058 401 E HA -0.221 4.129 4.350 0.001 0.000 0.194 401 E C 1.985 178.474 176.600 -0.184 0.000 0.997 401 E CA 1.363 57.689 56.400 -0.124 0.000 0.801 401 E CB -0.028 29.692 29.700 0.033 0.000 0.746 401 E HN 0.423 nan 8.360 nan 0.000 0.450 402 E N 0.518 120.654 120.200 -0.106 0.000 2.085 402 E HA -0.215 4.135 4.350 0.001 0.000 0.194 402 E C 2.165 178.696 176.600 -0.115 0.000 0.994 402 E CA 0.829 57.178 56.400 -0.085 0.000 0.801 402 E CB -0.195 29.486 29.700 -0.032 0.000 0.743 402 E HN 0.239 nan 8.360 nan 0.000 0.453 403 A N 1.562 124.283 122.820 -0.165 0.000 1.958 403 A HA -0.275 4.046 4.320 0.001 0.000 0.221 403 A C 1.906 179.394 177.584 -0.160 0.000 1.178 403 A CA 1.935 53.861 52.037 -0.187 0.000 0.642 403 A CB -0.303 18.479 19.000 -0.362 0.000 0.816 403 A HN 0.095 nan 8.150 nan 0.000 0.453 404 K N -1.016 119.240 120.400 -0.240 0.000 2.352 404 K HA 0.085 4.406 4.320 0.001 0.000 0.194 404 K C 1.730 178.243 176.600 -0.145 0.000 1.038 404 K CA 0.403 56.552 56.287 -0.230 0.000 1.023 404 K CB 0.151 32.217 32.500 -0.724 0.000 0.840 404 K HN 0.319 nan 8.250 nan 0.000 0.519 405 E N 1.525 121.630 120.200 -0.158 0.000 2.051 405 E HA -0.166 4.185 4.350 0.001 0.000 0.192 405 E C 1.334 177.909 176.600 -0.043 0.000 0.991 405 E CA 1.457 57.803 56.400 -0.090 0.000 0.799 405 E CB 0.115 29.769 29.700 -0.076 0.000 0.748 405 E HN 0.264 nan 8.360 nan 0.000 0.449 406 K N 0.082 120.458 120.400 -0.041 0.000 2.379 406 K HA 0.156 4.477 4.320 0.001 0.000 0.194 406 K C 2.185 178.776 176.600 -0.015 0.000 1.031 406 K CA -0.049 56.224 56.287 -0.023 0.000 1.037 406 K CB 0.259 32.746 32.500 -0.022 0.000 0.824 406 K HN -0.006 nan 8.250 nan 0.000 0.516 407 L N 0.954 122.172 121.223 -0.008 0.000 2.056 407 L HA -0.122 4.219 4.340 0.001 0.000 0.207 407 L C 2.149 179.015 176.870 -0.007 0.000 1.078 407 L CA 1.152 55.993 54.840 0.002 0.000 0.749 407 L CB -0.259 41.821 42.059 0.034 0.000 0.901 407 L HN 0.178 nan 8.230 nan 0.000 0.433 408 I N -0.149 120.430 120.570 0.016 0.000 2.163 408 I HA -0.238 3.932 4.170 0.001 0.000 0.243 408 I C -0.262 175.840 176.117 -0.025 0.000 1.085 408 I CA 1.521 62.816 61.300 -0.009 0.000 1.347 408 I CB -1.784 36.233 38.000 0.028 0.000 1.044 408 I HN 0.235 nan 8.210 nan 0.000 0.408 409 P HA -0.129 nan 4.420 nan 0.000 0.211 409 P C 2.042 179.328 177.300 -0.023 0.000 1.179 409 P CA 1.282 64.371 63.100 -0.019 0.000 0.910 409 P CB -0.081 31.611 31.700 -0.013 0.000 0.785 410 V N -0.430 119.472 119.914 -0.021 0.000 2.317 410 V HA -0.270 3.851 4.120 0.001 0.000 0.251 410 V C 2.389 178.464 176.094 -0.032 0.000 1.065 410 V CA 1.858 64.145 62.300 -0.021 0.000 1.049 410 V CB -1.227 30.587 31.823 -0.015 0.000 0.651 410 V HN 0.065 nan 8.190 nan 0.000 0.450 411 I N 0.450 120.993 120.570 -0.046 0.000 2.315 411 I HA -0.201 3.970 4.170 0.001 0.000 0.248 411 I C 2.348 178.427 176.117 -0.062 0.000 1.117 411 I CA 1.835 63.095 61.300 -0.066 0.000 1.404 411 I CB -0.470 37.469 38.000 -0.103 0.000 1.071 411 I HN 0.421 nan 8.210 nan 0.000 0.419 412 N N 1.295 119.962 118.700 -0.054 0.000 2.309 412 N HA -0.175 4.566 4.740 0.001 0.000 0.182 412 N C 1.480 176.968 175.510 -0.038 0.000 1.018 412 N CA 1.318 54.339 53.050 -0.047 0.000 0.876 412 N CB -0.030 38.433 38.487 -0.040 0.000 0.972 412 N HN 0.143 nan 8.380 nan 0.000 0.434 413 K N -0.203 120.178 120.400 -0.032 0.000 2.504 413 K HA 0.180 4.501 4.320 0.001 0.000 0.199 413 K C -0.416 176.169 176.600 -0.025 0.000 1.028 413 K CA -0.011 56.261 56.287 -0.025 0.000 1.164 413 K CB 0.179 32.668 32.500 -0.019 0.000 0.877 413 K HN 0.302 nan 8.250 nan 0.000 0.508 414 I N 1.260 121.811 120.570 -0.032 0.000 2.359 414 I HA 0.195 4.366 4.170 0.001 0.000 0.294 414 I C -0.171 175.927 176.117 -0.032 0.000 0.987 414 I CA -0.478 60.804 61.300 -0.031 0.000 1.225 414 I CB 1.382 39.360 38.000 -0.036 0.000 1.366 414 I HN -0.142 nan 8.210 nan 0.000 0.466 415 K N 3.666 124.049 120.400 -0.027 0.000 2.482 415 K HA 0.331 4.651 4.320 0.001 0.000 0.257 415 K C -1.297 175.288 176.600 -0.024 0.000 0.969 415 K CA -0.944 55.327 56.287 -0.026 0.000 0.842 415 K CB 1.632 34.119 32.500 -0.022 0.000 1.359 415 K HN 0.496 nan 8.250 nan 0.000 0.441 416 D N 0.550 120.936 120.400 -0.024 0.000 2.803 416 D HA -0.139 4.502 4.640 0.001 0.000 0.233 416 D C -1.216 175.074 176.300 -0.018 0.000 1.182 416 D CA 0.798 54.786 54.000 -0.020 0.000 0.726 416 D CB -1.031 39.760 40.800 -0.016 0.000 0.987 416 D HN 0.101 nan 8.370 nan 0.000 0.412 417 V N 0.204 120.106 119.914 -0.021 0.000 2.808 417 V HA 0.173 4.294 4.120 0.001 0.000 0.308 417 V C 0.884 176.967 176.094 -0.018 0.000 1.099 417 V CA -0.801 61.488 62.300 -0.018 0.000 0.920 417 V CB 2.295 34.106 31.823 -0.020 0.000 1.014 417 V HN -0.056 nan 8.190 nan 0.000 0.425 418 D N 2.330 122.722 120.400 -0.014 0.000 2.084 418 D HA 0.063 4.704 4.640 0.001 0.000 0.196 418 D C 0.173 176.465 176.300 -0.013 0.000 0.985 418 D CA 1.489 55.482 54.000 -0.012 0.000 0.826 418 D CB 0.259 41.052 40.800 -0.012 0.000 0.978 418 D HN 0.353 nan 8.370 nan 0.000 0.456 419 L N -0.689 120.525 121.223 -0.015 0.000 2.505 419 L HA 0.464 4.804 4.340 0.001 0.000 0.259 419 L C -1.913 174.943 176.870 -0.023 0.000 0.952 419 L CA -0.828 54.001 54.840 -0.019 0.000 0.840 419 L CB 2.176 44.224 42.059 -0.019 0.000 1.358 419 L HN -0.271 nan 8.230 nan 0.000 0.409 420 V N 5.674 125.568 119.914 -0.034 0.000 2.357 420 V HA 0.506 4.627 4.120 0.001 0.000 0.284 420 V C 0.097 176.150 176.094 -0.068 0.000 1.018 420 V CA -0.235 62.039 62.300 -0.043 0.000 0.841 420 V CB 1.360 33.153 31.823 -0.050 0.000 0.991 420 V HN 0.642 nan 8.190 nan 0.000 0.437 421 I N 5.203 125.729 120.570 -0.073 0.000 2.428 421 I HA 0.581 4.752 4.170 0.001 0.000 0.296 421 I C -0.497 175.502 176.117 -0.197 0.000 0.985 421 I CA -0.438 60.767 61.300 -0.158 0.000 1.260 421 I CB 1.866 39.771 38.000 -0.158 0.000 1.389 421 I HN 0.283 nan 8.210 nan 0.000 0.484 422 V N 5.757 125.468 119.914 -0.338 0.000 2.668 422 V HA 0.391 4.512 4.120 0.001 0.000 0.304 422 V C -0.933 174.947 176.094 -0.357 0.000 1.071 422 V CA -0.679 61.489 62.300 -0.219 0.000 0.894 422 V CB 1.617 33.363 31.823 -0.130 0.000 1.008 422 V HN 0.349 nan 8.190 nan 0.000 0.425 423 F N 4.402 124.377 119.950 0.041 0.000 2.420 423 F HA 0.697 5.225 4.527 0.001 0.000 0.342 423 F C 0.089 175.924 175.800 0.058 0.000 1.113 423 F CA -0.624 57.406 58.000 0.050 0.000 1.059 423 F CB 1.399 40.425 39.000 0.044 0.000 1.128 423 F HN 0.155 nan 8.300 nan 0.000 0.475 424 L N 2.377 123.739 121.223 0.232 0.000 2.346 424 L HA 0.535 4.876 4.340 0.001 0.000 0.274 424 L C -0.344 176.659 176.870 0.222 0.000 1.007 424 L CA -0.786 54.180 54.840 0.210 0.000 0.818 424 L CB 2.272 44.452 42.059 0.202 0.000 1.284 424 L HN 0.622 nan 8.230 nan 0.000 0.424 425 E N 0.640 120.990 120.200 0.250 0.000 2.243 425 E HA 0.280 4.631 4.350 0.001 0.000 0.260 425 E C -1.060 175.672 176.600 0.222 0.000 0.985 425 E CA -0.699 55.811 56.400 0.184 0.000 0.858 425 E CB 1.667 31.414 29.700 0.078 0.000 1.210 425 E HN 0.444 nan 8.360 nan 0.000 0.411 426 E N 0.807 121.053 120.200 0.077 0.000 2.259 426 E HA 0.128 4.478 4.350 0.001 0.000 0.281 426 E C -1.435 175.117 176.600 -0.080 0.000 1.037 426 E CA 0.092 56.538 56.400 0.076 0.000 0.854 426 E CB 0.468 30.193 29.700 0.043 0.000 1.051 426 E HN 0.283 nan 8.360 nan 0.000 0.409 427 Y N 4.877 125.212 120.300 0.057 0.000 2.555 427 Y HA 0.229 4.780 4.550 0.001 0.000 0.326 427 Y C -1.818 174.106 175.900 0.040 0.000 0.984 427 Y CA -2.127 56.002 58.100 0.047 0.000 1.298 427 Y CB 1.155 39.643 38.460 0.046 0.000 1.094 427 Y HN 0.599 nan 8.280 nan 0.000 0.500 428 P HA -0.127 nan 4.420 nan 0.000 0.212 428 P C -0.499 176.846 177.300 0.074 0.000 1.180 428 P CA 0.970 64.110 63.100 0.068 0.000 0.902 428 P CB 0.143 31.858 31.700 0.025 0.000 0.778 429 K N 1.224 121.668 120.400 0.073 0.000 2.196 429 K HA 0.104 4.425 4.320 0.001 0.000 0.254 429 K C 0.168 176.806 176.600 0.063 0.000 1.303 429 K CA -0.017 56.307 56.287 0.062 0.000 1.306 429 K CB -1.222 31.328 32.500 0.083 0.000 0.803 429 K HN 0.053 nan 8.250 nan 0.000 0.469 430 V N -1.419 118.505 119.914 0.016 0.000 2.994 430 V HA 0.412 4.533 4.120 0.001 0.000 0.318 430 V C -0.147 175.908 176.094 -0.065 0.000 1.085 430 V CA -1.206 61.084 62.300 -0.015 0.000 0.998 430 V CB 1.960 33.764 31.823 -0.031 0.000 1.063 430 V HN 0.447 nan 8.190 nan 0.000 0.447 431 D N 2.865 123.206 120.400 -0.098 0.000 2.217 431 D HA 0.386 5.027 4.640 0.001 0.000 0.243 431 D C -1.983 174.151 176.300 -0.278 0.000 1.054 431 D CA -1.374 52.532 54.000 -0.157 0.000 0.838 431 D CB 2.392 43.139 40.800 -0.088 0.000 1.162 431 D HN 0.434 nan 8.370 nan 0.000 0.472 432 P HA -0.093 nan 4.420 nan 0.000 0.236 432 P C -0.114 176.757 177.300 -0.716 0.000 1.172 432 P CA 1.095 63.814 63.100 -0.635 0.000 0.759 432 P CB 0.027 31.245 31.700 -0.804 0.000 0.843 433 Y N -2.414 117.830 120.300 -0.094 0.000 2.689 433 Y HA 0.289 4.840 4.550 0.001 0.000 0.265 433 Y C 0.824 176.631 175.900 -0.156 0.000 1.175 433 Y CA -0.680 57.355 58.100 -0.108 0.000 1.120 433 Y CB -0.469 37.938 38.460 -0.089 0.000 1.356 433 Y HN -0.343 nan 8.280 nan 0.000 0.505 434 K N 3.482 123.904 120.400 0.037 0.000 2.237 434 K HA 0.333 4.654 4.320 0.001 0.000 0.283 434 K C -0.401 176.050 176.600 -0.248 0.000 1.080 434 K CA 0.203 56.419 56.287 -0.117 0.000 0.965 434 K CB -0.029 32.449 32.500 -0.037 0.000 1.098 434 K HN 0.350 nan 8.250 nan 0.000 0.434 435 S N 2.811 118.272 115.700 -0.397 0.000 2.789 435 S HA 0.463 4.934 4.470 0.001 0.000 0.286 435 S C -0.676 173.630 174.600 -0.490 0.000 1.153 435 S CA -1.011 56.978 58.200 -0.351 0.000 1.084 435 S CB 0.135 63.189 63.200 -0.243 0.000 1.036 435 S HN 0.263 nan 8.310 nan 0.000 0.484 436 F N 1.959 121.833 119.950 -0.128 0.000 2.436 436 F HA 0.508 5.036 4.527 0.001 0.000 0.340 436 F C 0.167 175.908 175.800 -0.097 0.000 1.113 436 F CA -1.206 56.707 58.000 -0.144 0.000 1.022 436 F CB 1.084 39.916 39.000 -0.280 0.000 1.128 436 F HN 0.370 nan 8.300 nan 0.000 0.466 437 L N 4.555 125.852 121.223 0.123 0.000 2.325 437 L HA 0.148 4.489 4.340 0.001 0.000 0.284 437 L C 1.147 178.122 176.870 0.175 0.000 1.089 437 L CA -0.163 54.754 54.840 0.128 0.000 0.836 437 L CB 0.670 42.807 42.059 0.131 0.000 1.184 437 L HN 0.812 nan 8.230 nan 0.000 0.444 438 L N 3.762 125.065 121.223 0.133 0.000 2.021 438 L HA -0.331 4.010 4.340 0.001 0.000 0.215 438 L C 2.089 179.056 176.870 0.162 0.000 1.074 438 L CA 1.924 56.820 54.840 0.094 0.000 0.760 438 L CB -0.621 41.460 42.059 0.035 0.000 0.889 438 L HN 0.596 nan 8.230 nan 0.000 0.433 439 Y N 0.660 121.011 120.300 0.085 0.000 2.102 439 Y HA -0.376 4.175 4.550 0.001 0.000 0.280 439 Y C 2.453 178.399 175.900 0.078 0.000 1.178 439 Y CA 2.134 60.280 58.100 0.078 0.000 1.146 439 Y CB -0.209 38.300 38.460 0.083 0.000 0.968 439 Y HN 0.265 nan 8.280 nan 0.000 0.504 440 D N -0.891 119.642 120.400 0.222 0.000 2.085 440 D HA -0.188 4.452 4.640 0.001 0.000 0.199 440 D C 2.073 178.419 176.300 0.077 0.000 0.981 440 D CA 1.282 55.366 54.000 0.140 0.000 0.834 440 D CB -0.746 40.164 40.800 0.184 0.000 0.992 440 D HN 0.297 nan 8.370 nan 0.000 0.457 441 F N 2.253 122.193 119.950 -0.016 0.000 2.064 441 F HA -0.374 4.153 4.527 0.001 0.000 0.292 441 F C 2.386 178.123 175.800 -0.105 0.000 1.107 441 F CA 1.499 59.466 58.000 -0.055 0.000 1.243 441 F CB -0.834 38.121 39.000 -0.075 0.000 0.949 441 F HN -0.198 nan 8.300 nan 0.000 0.506 442 V N 0.104 119.983 119.914 -0.058 0.000 2.231 442 V HA -0.420 3.700 4.120 0.001 0.000 0.250 442 V C 2.413 178.364 176.094 -0.238 0.000 1.058 442 V CA 2.664 64.856 62.300 -0.180 0.000 1.022 442 V CB -0.898 30.831 31.823 -0.156 0.000 0.640 442 V HN 0.335 nan 8.190 nan 0.000 0.445 443 K N -0.694 119.552 120.400 -0.256 0.000 2.097 443 K HA -0.163 4.158 4.320 0.001 0.000 0.206 443 K C 2.452 178.929 176.600 -0.205 0.000 1.049 443 K CA 1.363 57.510 56.287 -0.233 0.000 0.933 443 K CB -0.251 32.095 32.500 -0.257 0.000 0.717 443 K HN 0.338 nan 8.250 nan 0.000 0.442 444 R N 0.776 121.149 120.500 -0.211 0.000 2.083 444 R HA -0.147 4.194 4.340 0.001 0.000 0.237 444 R C 2.085 178.235 176.300 -0.251 0.000 1.137 444 R CA 1.432 57.404 56.100 -0.213 0.000 0.951 444 R CB -0.030 30.159 30.300 -0.185 0.000 0.851 444 R HN 0.195 nan 8.270 nan 0.000 0.434 445 E N 0.545 120.535 120.200 -0.351 0.000 2.106 445 E HA -0.163 4.187 4.350 0.001 0.000 0.192 445 E C 2.075 178.557 176.600 -0.197 0.000 0.984 445 E CA 1.022 57.226 56.400 -0.327 0.000 0.806 445 E CB -0.116 29.330 29.700 -0.424 0.000 0.750 445 E HN 0.392 nan 8.360 nan 0.000 0.458 446 L N 0.334 121.460 121.223 -0.162 0.000 2.313 446 L HA -0.050 4.291 4.340 0.001 0.000 0.214 446 L C 2.502 179.348 176.870 -0.040 0.000 1.119 446 L CA 0.300 55.082 54.840 -0.097 0.000 0.809 446 L CB -0.333 41.677 42.059 -0.081 0.000 0.933 446 L HN 0.054 nan 8.230 nan 0.000 0.449 447 L N -0.091 121.108 121.223 -0.039 0.000 2.005 447 L HA -0.210 4.130 4.340 0.001 0.000 0.207 447 L C 2.635 179.498 176.870 -0.012 0.000 1.072 447 L CA 1.417 56.282 54.840 0.042 0.000 0.744 447 L CB -0.398 41.634 42.059 -0.044 0.000 0.895 447 L HN 0.176 nan 8.230 nan 0.000 0.433 448 K N -0.031 120.319 120.400 -0.082 0.000 2.127 448 K HA -0.238 4.083 4.320 0.001 0.000 0.208 448 K C 1.877 178.421 176.600 -0.093 0.000 1.047 448 K CA 1.551 57.783 56.287 -0.092 0.000 0.927 448 K CB -0.022 32.406 32.500 -0.119 0.000 0.716 448 K HN 0.192 nan 8.250 nan 0.000 0.450 449 K N -0.358 119.982 120.400 -0.100 0.000 2.374 449 K HA 0.183 4.503 4.320 0.001 0.000 0.196 449 K C 0.080 176.586 176.600 -0.156 0.000 1.023 449 K CA 0.040 56.261 56.287 -0.110 0.000 1.103 449 K CB 0.395 32.836 32.500 -0.097 0.000 0.848 449 K HN 0.071 nan 8.250 nan 0.000 0.528 450 M N 0.501 119.980 119.600 -0.202 0.000 2.682 450 M HA -0.236 4.244 4.480 0.001 0.000 0.196 450 M C -0.700 175.405 176.300 -0.325 0.000 0.542 450 M CA 0.856 55.833 55.300 -0.537 0.000 0.593 450 M CB -1.682 30.471 32.600 -0.744 0.000 2.183 450 M HN 0.058 nan 8.290 nan 0.000 0.663 451 I N 1.335 121.839 120.570 -0.110 0.000 2.312 451 I HA 0.264 4.435 4.170 0.001 0.000 0.291 451 I C -1.733 174.410 176.117 0.043 0.000 1.031 451 I CA -1.978 59.296 61.300 -0.043 0.000 1.293 451 I CB 0.876 38.847 38.000 -0.050 0.000 1.403 451 I HN -0.202 nan 8.210 nan 0.000 0.484 452 P HA -0.057 nan 4.420 nan 0.000 0.258 452 P C -0.598 176.711 177.300 0.014 0.000 1.172 452 P CA 0.292 63.436 63.100 0.073 0.000 0.762 452 P CB 0.314 32.034 31.700 0.033 0.000 0.764 453 S N 2.675 118.378 115.700 0.004 0.000 2.532 453 S HA 0.640 5.111 4.470 0.001 0.000 0.301 453 S C -0.566 174.009 174.600 -0.042 0.000 1.083 453 S CA -0.619 57.558 58.200 -0.040 0.000 1.025 453 S CB 1.945 65.102 63.200 -0.072 0.000 1.056 453 S HN 0.252 nan 8.310 nan 0.000 0.494 454 Q N 2.574 122.334 119.800 -0.067 0.000 3.429 454 Q HA 0.385 4.725 4.340 0.001 0.000 0.237 454 Q C -1.491 174.446 176.000 -0.105 0.000 0.932 454 Q CA -0.409 55.361 55.803 -0.054 0.000 0.731 454 Q CB 0.638 29.355 28.738 -0.035 0.000 1.383 454 Q HN 0.693 nan 8.270 nan 0.000 0.446 455 V N 3.474 123.313 119.914 -0.126 0.000 2.763 455 V HA 0.231 4.352 4.120 0.001 0.000 0.306 455 V C 0.428 176.501 176.094 -0.035 0.000 1.059 455 V CA 0.385 62.592 62.300 -0.155 0.000 1.138 455 V CB 0.498 32.099 31.823 -0.370 0.000 0.940 455 V HN 0.637 nan 8.190 nan 0.000 0.489 456 I N 4.830 125.340 120.570 -0.100 0.000 2.512 456 I HA 0.371 4.542 4.170 0.001 0.000 0.287 456 I C -0.600 175.561 176.117 0.074 0.000 1.069 456 I CA -0.456 60.820 61.300 -0.041 0.000 1.056 456 I CB 1.899 39.780 38.000 -0.197 0.000 1.229 456 I HN 0.402 nan 8.210 nan 0.000 0.429 457 L N 6.268 127.570 121.223 0.131 0.000 2.331 457 L HA 0.280 4.621 4.340 0.001 0.000 0.278 457 L C 1.379 178.312 176.870 0.105 0.000 1.106 457 L CA -0.211 54.716 54.840 0.144 0.000 0.824 457 L CB 0.441 42.568 42.059 0.113 0.000 1.142 457 L HN 0.552 nan 8.230 nan 0.000 0.443 458 N N 2.289 121.070 118.700 0.135 0.000 2.132 458 N HA -0.236 4.505 4.740 0.001 0.000 0.191 458 N C 1.765 177.291 175.510 0.026 0.000 1.015 458 N CA 1.336 54.441 53.050 0.092 0.000 0.864 458 N CB -0.353 38.198 38.487 0.107 0.000 1.006 458 N HN 0.547 nan 8.380 nan 0.000 0.430 459 R N 0.610 121.127 120.500 0.029 0.000 2.113 459 R HA -0.152 4.189 4.340 0.001 0.000 0.244 459 R C 1.471 177.750 176.300 -0.035 0.000 1.142 459 R CA 2.190 58.289 56.100 -0.002 0.000 0.953 459 R CB -0.913 29.389 30.300 0.003 0.000 0.860 459 R HN 0.118 nan 8.270 nan 0.000 0.438 460 T N 1.592 116.122 114.554 -0.040 0.000 2.778 460 T HA -0.114 4.237 4.350 0.001 0.000 0.269 460 T C 1.646 176.271 174.700 -0.125 0.000 1.050 460 T CA 1.669 63.725 62.100 -0.074 0.000 1.137 460 T CB -0.114 68.709 68.868 -0.076 0.000 0.860 460 T HN 0.296 nan 8.240 nan 0.000 0.468 461 L N -0.369 120.768 121.223 -0.144 0.000 2.592 461 L HA 0.203 4.544 4.340 0.001 0.000 0.227 461 L C 2.225 178.987 176.870 -0.181 0.000 1.127 461 L CA 0.304 55.018 54.840 -0.210 0.000 0.884 461 L CB -0.204 41.707 42.059 -0.247 0.000 1.065 461 L HN 0.154 nan 8.230 nan 0.000 0.457 462 K N 0.173 120.500 120.400 -0.121 0.000 2.102 462 K HA 0.120 4.440 4.320 0.001 0.000 0.208 462 K C 1.333 177.886 176.600 -0.078 0.000 1.027 462 K CA 0.587 56.816 56.287 -0.096 0.000 0.958 462 K CB -0.130 32.341 32.500 -0.049 0.000 0.819 462 K HN 0.196 nan 8.250 nan 0.000 0.453 463 N N 1.574 120.235 118.700 -0.065 0.000 2.173 463 N HA -0.057 4.684 4.740 0.001 0.000 0.184 463 N C 0.577 176.043 175.510 -0.072 0.000 1.025 463 N CA 0.846 53.861 53.050 -0.057 0.000 0.852 463 N CB -0.013 38.446 38.487 -0.047 0.000 0.998 463 N HN 0.332 nan 8.380 nan 0.000 0.427 464 E N 1.239 121.392 120.200 -0.080 0.000 2.369 464 E HA 0.088 4.439 4.350 0.001 0.000 0.255 464 E C 0.008 176.535 176.600 -0.121 0.000 1.172 464 E CA -0.710 55.636 56.400 -0.090 0.000 0.932 464 E CB 0.592 30.259 29.700 -0.056 0.000 1.040 464 E HN 0.039 nan 8.360 nan 0.000 0.454 465 N N 1.432 120.017 118.700 -0.192 0.000 2.468 465 N HA -0.042 4.698 4.740 0.001 0.000 0.265 465 N C 0.907 176.371 175.510 -0.077 0.000 1.199 465 N CA 0.227 53.118 53.050 -0.265 0.000 0.928 465 N CB 0.569 38.580 38.487 -0.793 0.000 1.059 465 N HN 0.464 nan 8.380 nan 0.000 0.467 466 L N 3.342 124.547 121.223 -0.030 0.000 1.997 466 L HA -0.251 4.090 4.340 0.001 0.000 0.216 466 L C 2.108 179.074 176.870 0.160 0.000 1.074 466 L CA 1.524 56.394 54.840 0.050 0.000 0.763 466 L CB -0.497 41.587 42.059 0.042 0.000 0.890 466 L HN 0.459 nan 8.230 nan 0.000 0.434 467 K N -0.222 120.310 120.400 0.219 0.000 2.026 467 K HA -0.115 4.205 4.320 0.001 0.000 0.208 467 K C 1.855 178.658 176.600 0.338 0.000 1.048 467 K CA 1.484 57.936 56.287 0.274 0.000 0.929 467 K CB -0.394 32.315 32.500 0.348 0.000 0.713 467 K HN 0.031 nan 8.250 nan 0.000 0.439 468 F N 0.164 120.157 119.950 0.073 0.000 2.250 468 F HA -0.151 4.377 4.527 0.001 0.000 0.301 468 F C 2.059 177.848 175.800 -0.018 0.000 1.077 468 F CA 0.590 58.662 58.000 0.121 0.000 1.348 468 F CB -0.918 38.200 39.000 0.197 0.000 1.040 468 F HN -0.193 nan 8.300 nan 0.000 0.509 469 V N -0.153 119.879 119.914 0.198 0.000 2.358 469 V HA -0.262 3.859 4.120 0.001 0.000 0.246 469 V C 2.549 178.735 176.094 0.154 0.000 1.047 469 V CA 1.181 63.524 62.300 0.071 0.000 1.035 469 V CB -0.734 31.044 31.823 -0.075 0.000 0.658 469 V HN 0.280 nan 8.190 nan 0.000 0.452 470 L N -0.532 120.825 121.223 0.224 0.000 1.990 470 L HA -0.245 4.096 4.340 0.001 0.000 0.213 470 L C 2.462 179.185 176.870 -0.244 0.000 1.072 470 L CA 1.947 56.777 54.840 -0.016 0.000 0.755 470 L CB -0.544 41.388 42.059 -0.212 0.000 0.889 470 L HN 0.331 nan 8.230 nan 0.000 0.432 471 L N -0.597 120.453 121.223 -0.287 0.000 2.093 471 L HA -0.210 4.131 4.340 0.001 0.000 0.208 471 L C 2.316 178.952 176.870 -0.391 0.000 1.085 471 L CA 1.352 56.005 54.840 -0.311 0.000 0.755 471 L CB -0.604 41.396 42.059 -0.099 0.000 0.904 471 L HN 0.363 nan 8.230 nan 0.000 0.435 472 N N 0.024 118.244 118.700 -0.799 0.000 2.135 472 N HA -0.137 4.604 4.740 0.001 0.000 0.186 472 N C 1.697 177.045 175.510 -0.271 0.000 1.027 472 N CA 1.245 53.773 53.050 -0.869 0.000 0.849 472 N CB -0.109 37.675 38.487 -1.172 0.000 1.002 472 N HN 0.004 nan 8.380 nan 0.000 0.425 473 V N 0.909 120.733 119.914 -0.149 0.000 2.358 473 V HA -0.126 3.995 4.120 0.001 0.000 0.246 473 V C 2.425 178.513 176.094 -0.009 0.000 1.047 473 V CA 1.622 63.915 62.300 -0.011 0.000 1.035 473 V CB -1.230 30.665 31.823 0.121 0.000 0.658 473 V HN 0.489 nan 8.190 nan 0.000 0.452 474 A N -0.056 122.739 122.820 -0.042 0.000 1.859 474 A HA -0.364 3.956 4.320 0.001 0.000 0.218 474 A C 2.258 179.885 177.584 0.072 0.000 1.209 474 A CA 2.443 54.490 52.037 0.017 0.000 0.639 474 A CB -0.852 18.141 19.000 -0.012 0.000 0.835 474 A HN 0.609 nan 8.150 nan 0.000 0.450 475 E N -0.696 119.564 120.200 0.099 0.000 2.108 475 E HA -0.348 4.002 4.350 0.001 0.000 0.203 475 E C 2.221 178.889 176.600 0.114 0.000 1.022 475 E CA 2.060 58.574 56.400 0.189 0.000 0.823 475 E CB -0.188 29.676 29.700 0.273 0.000 0.744 475 E HN 0.796 nan 8.360 nan 0.000 0.456 476 Q N -0.422 119.425 119.800 0.078 0.000 2.016 476 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 476 Q C 2.372 178.367 176.000 -0.008 0.000 0.978 476 Q CA 1.623 57.458 55.803 0.052 0.000 0.833 476 Q CB 0.107 28.880 28.738 0.059 0.000 0.895 476 Q HN 0.200 nan 8.270 nan 0.000 0.427 477 V N 1.196 121.109 119.914 -0.002 0.000 2.295 477 V HA -0.267 3.854 4.120 0.001 0.000 0.246 477 V C 2.251 178.321 176.094 -0.040 0.000 1.049 477 V CA 1.469 63.758 62.300 -0.019 0.000 1.024 477 V CB -0.612 31.209 31.823 -0.003 0.000 0.648 477 V HN 0.350 nan 8.190 nan 0.000 0.447 478 L N 0.162 121.372 121.223 -0.022 0.000 1.991 478 L HA -0.302 4.039 4.340 0.001 0.000 0.221 478 L C 2.726 179.507 176.870 -0.148 0.000 1.079 478 L CA 2.150 56.961 54.840 -0.048 0.000 0.778 478 L CB -0.861 41.199 42.059 0.001 0.000 0.893 478 L HN 0.398 nan 8.230 nan 0.000 0.437 479 A N -0.442 122.228 122.820 -0.250 0.000 1.873 479 A HA -0.212 4.109 4.320 0.001 0.000 0.215 479 A C 2.278 179.684 177.584 -0.296 0.000 1.186 479 A CA 1.695 53.465 52.037 -0.446 0.000 0.616 479 A CB -0.429 18.127 19.000 -0.741 0.000 0.823 479 A HN 0.307 nan 8.150 nan 0.000 0.442 480 K N -0.719 119.559 120.400 -0.204 0.000 2.173 480 K HA -0.132 4.189 4.320 0.001 0.000 0.207 480 K C 1.141 177.666 176.600 -0.125 0.000 1.046 480 K CA 1.819 58.001 56.287 -0.177 0.000 0.929 480 K CB -0.213 32.224 32.500 -0.105 0.000 0.720 480 K HN 0.548 nan 8.250 nan 0.000 0.453 481 T N -1.456 113.037 114.554 -0.102 0.000 3.069 481 T HA 0.184 4.534 4.350 0.001 0.000 0.252 481 T C 0.893 175.559 174.700 -0.056 0.000 1.053 481 T CA 0.350 62.414 62.100 -0.059 0.000 0.964 481 T CB 0.978 69.821 68.868 -0.042 0.000 1.005 481 T HN 0.414 nan 8.240 nan 0.000 0.532 482 G N 2.972 111.719 108.800 -0.087 0.000 2.141 482 G HA2 -0.227 3.733 3.960 0.001 0.000 0.242 482 G HA3 -0.227 3.733 3.960 0.001 0.000 0.242 482 G C -0.112 174.757 174.900 -0.051 0.000 0.982 482 G CA -0.450 44.608 45.100 -0.070 0.000 0.662 482 G HN 0.553 nan 8.290 nan 0.000 0.527 483 N N 0.863 119.529 118.700 -0.057 0.000 3.044 483 N HA 0.377 5.118 4.740 0.001 0.000 0.254 483 N C 0.246 175.745 175.510 -0.019 0.000 1.253 483 N CA -0.282 52.761 53.050 -0.011 0.000 0.944 483 N CB 0.828 39.311 38.487 -0.007 0.000 1.217 483 N HN 0.373 nan 8.380 nan 0.000 0.498 484 I N 2.043 122.615 120.570 0.004 0.000 2.556 484 I HA 0.058 4.229 4.170 0.001 0.000 0.284 484 I C -0.893 175.316 176.117 0.153 0.000 1.114 484 I CA -1.387 59.858 61.300 -0.093 0.000 1.418 484 I CB 0.922 38.834 38.000 -0.146 0.000 1.394 484 I HN 0.085 nan 8.210 nan 0.000 0.552 485 P HA -0.059 nan 4.420 nan 0.000 0.227 485 P C -0.769 176.877 177.300 0.576 0.000 1.161 485 P CA 1.203 64.469 63.100 0.278 0.000 0.788 485 P CB 0.088 32.004 31.700 0.361 0.000 0.822 486 Y N -3.285 117.373 120.300 0.597 0.000 2.677 486 Y HA 0.715 5.265 4.550 0.001 0.000 0.334 486 Y C -0.883 175.331 175.900 0.523 0.000 1.196 486 Y CA -1.552 56.928 58.100 0.634 0.000 1.059 486 Y CB 0.695 39.422 38.460 0.445 0.000 1.315 486 Y HN -0.405 nan 8.280 nan 0.000 0.455 487 K N 1.297 122.032 120.400 0.557 0.000 2.444 487 K HA 0.625 4.946 4.320 0.001 0.000 0.252 487 K C -1.593 175.178 176.600 0.286 0.000 0.993 487 K CA -1.038 55.419 56.287 0.284 0.000 0.847 487 K CB 2.669 35.196 32.500 0.046 0.000 1.340 487 K HN 0.653 nan 8.250 nan 0.000 0.446 488 L N 2.710 124.042 121.223 0.182 0.000 2.410 488 L HA 0.079 4.420 4.340 0.001 0.000 0.273 488 L C 1.799 178.739 176.870 0.117 0.000 1.152 488 L CA 0.312 55.227 54.840 0.126 0.000 0.855 488 L CB 0.446 42.556 42.059 0.084 0.000 1.129 488 L HN 0.669 nan 8.230 nan 0.000 0.463 489 K N 2.576 123.037 120.400 0.102 0.000 2.077 489 K HA -0.189 4.131 4.320 0.001 0.000 0.213 489 K C 0.478 177.126 176.600 0.080 0.000 1.051 489 K CA 1.832 58.173 56.287 0.091 0.000 0.929 489 K CB 0.227 32.764 32.500 0.062 0.000 0.715 489 K HN 0.749 nan 8.250 nan 0.000 0.451 490 E N -0.577 119.665 120.200 0.071 0.000 2.388 490 E HA 0.187 4.538 4.350 0.001 0.000 0.282 490 E C -1.697 174.947 176.600 0.074 0.000 1.026 490 E CA -0.483 55.960 56.400 0.071 0.000 0.820 490 E CB 1.054 30.786 29.700 0.053 0.000 1.226 490 E HN 0.130 nan 8.360 nan 0.000 0.432 491 I N 2.574 123.203 120.570 0.100 0.000 2.465 491 I HA 0.281 4.452 4.170 0.001 0.000 0.291 491 I C 0.434 176.621 176.117 0.118 0.000 1.014 491 I CA -0.833 60.532 61.300 0.108 0.000 1.093 491 I CB 1.847 39.931 38.000 0.141 0.000 1.267 491 I HN 0.551 nan 8.210 nan 0.000 0.431 492 E N 4.157 124.412 120.200 0.091 0.000 2.418 492 E HA 0.345 4.695 4.350 0.001 0.000 0.261 492 E C 0.434 177.089 176.600 0.092 0.000 1.070 492 E CA 0.855 57.299 56.400 0.073 0.000 0.931 492 E CB 0.706 30.436 29.700 0.051 0.000 0.954 492 E HN 0.870 nan 8.360 nan 0.000 0.439 493 G N 2.729 111.567 108.800 0.062 0.000 2.760 493 G HA2 -0.262 3.699 3.960 0.001 0.000 0.246 493 G HA3 -0.262 3.699 3.960 0.001 0.000 0.246 493 G C -0.502 174.431 174.900 0.055 0.000 1.359 493 G CA 0.054 45.188 45.100 0.056 0.000 0.861 493 G HN 0.560 nan 8.290 nan 0.000 0.541 494 K N -0.336 120.082 120.400 0.031 0.000 3.045 494 K HA 0.496 4.817 4.320 0.001 0.000 0.211 494 K C 0.407 176.999 176.600 -0.014 0.000 1.141 494 K CA -0.384 55.917 56.287 0.023 0.000 1.036 494 K CB 1.191 33.704 32.500 0.022 0.000 0.851 494 K HN 0.455 nan 8.250 nan 0.000 0.462 495 V N 1.386 121.268 119.914 -0.055 0.000 2.811 495 V HA -0.038 4.082 4.120 0.001 0.000 0.302 495 V C 0.847 176.817 176.094 -0.206 0.000 1.063 495 V CA 0.392 62.550 62.300 -0.237 0.000 1.088 495 V CB 1.092 32.577 31.823 -0.563 0.000 0.982 495 V HN 0.417 nan 8.190 nan 0.000 0.485 496 D N 1.826 122.094 120.400 -0.219 0.000 2.324 496 D HA 0.302 4.942 4.640 0.001 0.000 0.212 496 D C 0.433 176.671 176.300 -0.104 0.000 0.984 496 D CA 0.981 54.964 54.000 -0.028 0.000 0.885 496 D CB 0.917 41.792 40.800 0.125 0.000 0.996 496 D HN 0.636 nan 8.370 nan 0.000 0.505 497 A N 0.353 122.861 122.820 -0.520 0.000 2.488 497 A HA 0.549 4.870 4.320 0.001 0.000 0.295 497 A C -1.552 175.609 177.584 -0.705 0.000 1.045 497 A CA -0.604 51.053 52.037 -0.634 0.000 0.703 497 A CB 0.746 19.047 19.000 -1.165 0.000 1.271 497 A HN -0.058 nan 8.150 nan 0.000 0.400 498 F N 1.726 121.572 119.950 -0.174 0.000 2.415 498 F HA 0.561 5.089 4.527 0.001 0.000 0.348 498 F C 0.176 175.875 175.800 -0.168 0.000 1.119 498 F CA -0.501 57.356 58.000 -0.238 0.000 1.069 498 F CB 2.132 40.992 39.000 -0.234 0.000 1.124 498 F HN 0.286 nan 8.300 nan 0.000 0.472 499 V N 2.562 122.407 119.914 -0.116 0.000 2.487 499 V HA 0.661 4.782 4.120 0.001 0.000 0.298 499 V C 0.076 176.131 176.094 -0.066 0.000 1.028 499 V CA -0.835 61.422 62.300 -0.072 0.000 0.860 499 V CB 1.716 33.446 31.823 -0.155 0.000 0.991 499 V HN 0.883 nan 8.190 nan 0.000 0.427 500 G N 5.385 114.191 108.800 0.011 0.000 2.468 500 G HA2 0.729 4.689 3.960 0.001 0.000 0.315 500 G HA3 0.729 4.689 3.960 0.001 0.000 0.315 500 G C -0.812 174.065 174.900 -0.038 0.000 1.203 500 G CA -0.355 44.745 45.100 0.001 0.000 0.962 500 G HN 0.616 nan 8.290 nan 0.000 0.476 501 I N 1.529 122.107 120.570 0.013 0.000 2.493 501 I HA 0.485 4.656 4.170 0.001 0.000 0.298 501 I C -0.865 175.289 176.117 0.062 0.000 0.998 501 I CA -0.914 60.405 61.300 0.032 0.000 1.137 501 I CB 2.442 40.505 38.000 0.105 0.000 1.310 501 I HN 0.216 nan 8.210 nan 0.000 0.445 502 D N 5.058 125.507 120.400 0.082 0.000 2.575 502 D HA 0.716 5.356 4.640 0.001 0.000 0.236 502 D C -1.196 175.174 176.300 0.118 0.000 1.075 502 D CA -0.304 53.764 54.000 0.114 0.000 0.860 502 D CB 2.322 43.206 40.800 0.140 0.000 1.475 502 D HN 0.393 nan 8.370 nan 0.000 0.474 503 I N 1.290 121.918 120.570 0.096 0.000 2.644 503 I HA 0.310 4.480 4.170 0.001 0.000 0.291 503 I C -0.847 175.307 176.117 0.060 0.000 1.180 503 I CA -0.684 60.653 61.300 0.061 0.000 1.040 503 I CB 2.170 40.174 38.000 0.007 0.000 1.255 503 I HN 0.343 nan 8.210 nan 0.000 0.422 504 S N 5.701 121.431 115.700 0.051 0.000 2.571 504 S HA 0.697 5.167 4.470 0.001 0.000 0.284 504 S C -0.829 173.787 174.600 0.026 0.000 1.128 504 S CA -1.065 57.164 58.200 0.047 0.000 0.970 504 S CB 1.804 65.039 63.200 0.058 0.000 1.039 504 S HN 0.639 nan 8.310 nan 0.000 0.485 505 R N 2.478 122.989 120.500 0.017 0.000 2.540 505 R HA 0.612 4.953 4.340 0.001 0.000 0.287 505 R C -0.714 175.597 176.300 0.018 0.000 0.980 505 R CA -0.840 55.262 56.100 0.004 0.000 0.966 505 R CB 1.053 31.341 30.300 -0.020 0.000 1.106 505 R HN 0.642 nan 8.270 nan 0.000 0.480 506 I N 2.070 122.647 120.570 0.012 0.000 2.330 506 I HA 0.145 4.316 4.170 0.001 0.000 0.286 506 I C -0.308 175.816 176.117 0.011 0.000 1.025 506 I CA -0.409 60.899 61.300 0.014 0.000 1.197 506 I CB 1.896 39.904 38.000 0.012 0.000 1.358 506 I HN 0.529 nan 8.210 nan 0.000 0.467 507 T N 6.606 121.169 114.554 0.015 0.000 2.733 507 T HA 0.293 4.644 4.350 0.001 0.000 0.294 507 T C 0.563 175.269 174.700 0.010 0.000 0.956 507 T CA -0.494 61.616 62.100 0.016 0.000 0.987 507 T CB 0.380 69.264 68.868 0.026 0.000 0.920 507 T HN 0.419 nan 8.240 nan 0.000 0.470 508 R N 4.201 124.706 120.500 0.008 0.000 3.701 508 R HA 0.187 4.528 4.340 0.001 0.000 0.210 508 R C 0.029 176.332 176.300 0.004 0.000 1.598 508 R CA -0.203 55.899 56.100 0.003 0.000 1.427 508 R CB -0.232 30.070 30.300 0.002 0.000 1.339 508 R HN 0.785 nan 8.270 nan 0.000 0.720 509 D N 0.019 120.421 120.400 0.003 0.000 5.008 509 D HA -0.159 4.482 4.640 0.001 0.000 0.133 509 D C 0.973 177.284 176.300 0.017 0.000 0.637 509 D CA 1.383 55.386 54.000 0.005 0.000 1.064 509 D CB -1.227 39.574 40.800 0.001 0.000 0.704 509 D HN 0.498 nan 8.370 nan 0.000 0.586 510 G N 1.097 109.909 108.800 0.019 0.000 3.189 510 G HA2 0.301 4.262 3.960 0.001 0.000 0.225 510 G HA3 0.301 4.262 3.960 0.001 0.000 0.225 510 G C 0.127 175.044 174.900 0.027 0.000 1.159 510 G CA 0.177 45.293 45.100 0.027 0.000 0.763 510 G HN 0.208 nan 8.290 nan 0.000 0.549 511 K N 0.570 120.984 120.400 0.023 0.000 2.292 511 K HA 0.506 4.827 4.320 0.001 0.000 0.257 511 K C -1.041 175.572 176.600 0.022 0.000 0.940 511 K CA -0.442 55.859 56.287 0.024 0.000 0.811 511 K CB 2.107 34.620 32.500 0.022 0.000 1.120 511 K HN -0.088 nan 8.250 nan 0.000 0.428 512 T N 2.190 116.759 114.554 0.024 0.000 2.801 512 T HA 0.157 4.508 4.350 0.001 0.000 0.306 512 T C 1.191 175.905 174.700 0.022 0.000 1.020 512 T CA -0.691 61.419 62.100 0.017 0.000 0.948 512 T CB 0.831 69.702 68.868 0.004 0.000 0.962 512 T HN 0.296 nan 8.240 nan 0.000 0.465 513 V N 2.455 122.378 119.914 0.014 0.000 2.355 513 V HA 0.104 4.225 4.120 0.001 0.000 0.224 513 V C 1.375 177.465 176.094 -0.008 0.000 1.073 513 V CA 0.246 62.553 62.300 0.012 0.000 1.059 513 V CB -0.483 31.343 31.823 0.005 0.000 0.678 513 V HN 0.621 nan 8.190 nan 0.000 0.479 514 N N 0.338 119.027 118.700 -0.018 0.000 2.413 514 N HA 0.603 5.344 4.740 0.001 0.000 0.266 514 N C -0.676 174.825 175.510 -0.015 0.000 1.238 514 N CA 0.457 53.487 53.050 -0.034 0.000 0.972 514 N CB 1.295 39.767 38.487 -0.026 0.000 1.210 514 N HN 0.724 nan 8.380 nan 0.000 0.547 515 A N 0.319 123.142 122.820 0.005 0.000 2.532 515 A HA 0.507 4.828 4.320 0.001 0.000 0.296 515 A C -1.530 176.117 177.584 0.105 0.000 1.058 515 A CA -0.564 51.490 52.037 0.028 0.000 0.729 515 A CB 0.715 19.696 19.000 -0.030 0.000 1.285 515 A HN 0.329 nan 8.150 nan 0.000 0.396 516 V N 1.198 121.166 119.914 0.090 0.000 2.555 516 V HA 0.826 4.947 4.120 0.001 0.000 0.302 516 V C 0.217 176.399 176.094 0.146 0.000 1.038 516 V CA 0.115 62.497 62.300 0.137 0.000 0.887 516 V CB 1.843 33.722 31.823 0.092 0.000 0.991 516 V HN 1.646 nan 8.190 nan 0.000 0.434 517 A N 4.881 127.831 122.820 0.217 0.000 2.375 517 A HA 0.743 5.064 4.320 0.001 0.000 0.291 517 A C -1.257 176.517 177.584 0.317 0.000 1.160 517 A CA -0.363 51.801 52.037 0.213 0.000 0.747 517 A CB 0.716 19.815 19.000 0.165 0.000 1.170 517 A HN 0.644 nan 8.150 nan 0.000 0.458 518 F N 2.630 122.639 119.950 0.099 0.000 2.404 518 F HA 0.667 5.195 4.527 0.001 0.000 0.354 518 F C -0.028 175.836 175.800 0.106 0.000 1.122 518 F CA -0.188 57.872 58.000 0.101 0.000 1.080 518 F CB 1.593 40.604 39.000 0.017 0.000 1.131 518 F HN 0.411 nan 8.300 nan 0.000 0.471 519 T N 6.063 120.479 114.554 -0.229 0.000 2.848 519 T HA 0.492 4.842 4.350 0.001 0.000 0.285 519 T C -0.931 173.526 174.700 -0.405 0.000 0.995 519 T CA -0.805 61.155 62.100 -0.234 0.000 0.970 519 T CB 1.386 70.288 68.868 0.058 0.000 0.976 519 T HN 0.411 nan 8.240 nan 0.000 0.441 520 K N 2.375 122.569 120.400 -0.343 0.000 2.270 520 K HA 0.692 5.013 4.320 0.001 0.000 0.255 520 K C -0.862 175.751 176.600 0.022 0.000 0.936 520 K CA -0.510 55.686 56.287 -0.151 0.000 0.809 520 K CB 2.032 34.498 32.500 -0.058 0.000 1.131 520 K HN 0.456 nan 8.250 nan 0.000 0.427 521 I N 3.203 123.750 120.570 -0.037 0.000 2.378 521 I HA 0.396 4.567 4.170 0.001 0.000 0.291 521 I C -0.984 175.058 176.117 -0.125 0.000 0.992 521 I CA -0.709 60.589 61.300 -0.003 0.000 1.154 521 I CB 0.800 38.806 38.000 0.009 0.000 1.315 521 I HN 0.377 nan 8.210 nan 0.000 0.448 522 F N 4.385 124.372 119.950 0.062 0.000 2.508 522 F HA 0.387 4.914 4.527 0.001 0.000 0.325 522 F C 0.505 176.399 175.800 0.157 0.000 1.090 522 F CA -0.825 57.260 58.000 0.141 0.000 0.945 522 F CB 1.270 40.381 39.000 0.185 0.000 1.156 522 F HN 0.502 nan 8.300 nan 0.000 0.463 523 N N -0.526 118.388 118.700 0.356 0.000 2.374 523 N HA 0.079 4.819 4.740 0.001 0.000 0.284 523 N C 0.901 176.613 175.510 0.336 0.000 1.280 523 N CA 0.053 53.303 53.050 0.333 0.000 0.963 523 N CB -0.083 38.550 38.487 0.243 0.000 1.141 523 N HN 0.498 nan 8.380 nan 0.000 0.565 524 S N -1.882 113.968 115.700 0.250 0.000 2.507 524 S HA -0.100 4.370 4.470 0.001 0.000 0.235 524 S C 0.022 174.800 174.600 0.297 0.000 0.988 524 S CA 0.661 59.004 58.200 0.239 0.000 0.944 524 S CB -0.534 62.749 63.200 0.139 0.000 0.762 524 S HN 0.681 nan 8.310 nan 0.000 0.526 525 K N 0.890 121.435 120.400 0.242 0.000 3.167 525 K HA 0.584 4.905 4.320 0.001 0.000 0.208 525 K C 0.771 177.483 176.600 0.188 0.000 1.159 525 K CA -0.047 56.350 56.287 0.184 0.000 1.018 525 K CB 0.033 32.607 32.500 0.124 0.000 0.927 525 K HN 0.121 nan 8.250 nan 0.000 0.476 526 G N 0.546 109.500 108.800 0.258 0.000 2.352 526 G HA2 -0.372 3.588 3.960 0.001 0.000 0.295 526 G HA3 -0.372 3.588 3.960 0.001 0.000 0.295 526 G C -0.109 175.063 174.900 0.454 0.000 0.991 526 G CA 0.516 45.806 45.100 0.316 0.000 0.796 526 G HN 0.535 nan 8.290 nan 0.000 0.511 527 E N -0.927 119.452 120.200 0.297 0.000 2.398 527 E HA 0.341 4.691 4.350 0.001 0.000 0.263 527 E C 0.478 177.166 176.600 0.147 0.000 1.046 527 E CA -0.766 55.748 56.400 0.190 0.000 0.908 527 E CB 0.568 30.302 29.700 0.055 0.000 0.963 527 E HN 0.219 nan 8.360 nan 0.000 0.431 528 L N 3.989 125.196 121.223 -0.026 0.000 2.371 528 L HA 0.046 4.387 4.340 0.001 0.000 0.272 528 L C 0.519 177.308 176.870 -0.134 0.000 1.124 528 L CA 0.275 54.933 54.840 -0.303 0.000 0.816 528 L CB 1.447 43.343 42.059 -0.272 0.000 1.129 528 L HN 0.452 nan 8.230 nan 0.000 0.448 529 V N 3.741 123.572 119.914 -0.138 0.000 2.721 529 V HA 0.399 4.520 4.120 0.001 0.000 0.236 529 V C 0.856 176.918 176.094 -0.053 0.000 1.116 529 V CA 0.240 62.525 62.300 -0.025 0.000 1.148 529 V CB 0.042 31.920 31.823 0.092 0.000 0.886 529 V HN 0.807 nan 8.190 nan 0.000 0.490 530 R N -1.622 118.825 120.500 -0.089 0.000 2.741 530 R HA 0.440 4.781 4.340 0.001 0.000 0.276 530 R C -2.055 174.131 176.300 -0.189 0.000 1.028 530 R CA -0.559 55.424 56.100 -0.195 0.000 0.865 530 R CB 2.248 32.369 30.300 -0.299 0.000 1.268 530 R HN 0.337 nan 8.270 nan 0.000 0.475 531 Y N -1.174 118.945 120.300 -0.302 0.000 2.609 531 Y HA 0.734 5.285 4.550 0.001 0.000 0.342 531 Y C -1.721 173.935 175.900 -0.407 0.000 1.058 531 Y CA -1.175 56.795 58.100 -0.216 0.000 1.055 531 Y CB 1.205 39.732 38.460 0.112 0.000 1.292 531 Y HN 0.464 nan 8.280 nan 0.000 0.476 532 Y N 1.638 122.145 120.300 0.344 0.000 2.492 532 Y HA 0.656 5.207 4.550 0.001 0.000 0.346 532 Y C -1.399 174.798 175.900 0.494 0.000 0.997 532 Y CA -1.077 57.201 58.100 0.296 0.000 1.025 532 Y CB 2.150 40.693 38.460 0.137 0.000 1.263 532 Y HN 0.631 nan 8.280 nan 0.000 0.454 533 L N 2.778 124.325 121.223 0.540 0.000 2.362 533 L HA 0.816 5.157 4.340 0.001 0.000 0.275 533 L C -0.833 176.190 176.870 0.255 0.000 0.998 533 L CA -0.498 54.584 54.840 0.404 0.000 0.820 533 L CB 1.799 44.035 42.059 0.295 0.000 1.270 533 L HN 0.785 nan 8.230 nan 0.000 0.415 534 T N 0.624 115.306 114.554 0.213 0.000 3.395 534 T HA 0.407 4.758 4.350 0.001 0.000 0.330 534 T C -0.452 174.295 174.700 0.079 0.000 1.076 534 T CA -0.817 61.334 62.100 0.084 0.000 1.070 534 T CB 1.278 70.174 68.868 0.046 0.000 1.119 534 T HN 0.605 nan 8.240 nan 0.000 0.462 535 S N 1.676 117.347 115.700 -0.047 0.000 2.632 535 S HA 0.669 5.139 4.470 0.001 0.000 0.271 535 S C -1.001 173.453 174.600 -0.243 0.000 1.260 535 S CA -0.672 57.510 58.200 -0.029 0.000 1.010 535 S CB 0.597 63.766 63.200 -0.053 0.000 0.965 535 S HN 0.670 nan 8.310 nan 0.000 0.534 536 Y N 1.226 121.378 120.300 -0.247 0.000 2.490 536 Y HA 0.388 4.938 4.550 0.001 0.000 0.346 536 Y C -2.337 173.147 175.900 -0.694 0.000 1.023 536 Y CA -2.026 55.738 58.100 -0.559 0.000 1.142 536 Y CB 0.715 38.941 38.460 -0.390 0.000 1.126 536 Y HN 0.570 nan 8.280 nan 0.000 0.647 537 P HA 0.004 nan 4.420 nan 0.000 0.274 537 P C 0.741 177.828 177.300 -0.354 0.000 1.264 537 P CA 0.957 63.873 63.100 -0.306 0.000 0.795 537 P CB 0.882 32.470 31.700 -0.186 0.000 1.064 538 A N -1.590 121.197 122.820 -0.055 0.000 2.822 538 A HA -0.257 4.064 4.320 0.001 0.000 0.279 538 A C 1.292 179.117 177.584 0.401 0.000 1.356 538 A CA 1.768 53.891 52.037 0.142 0.000 0.961 538 A CB -2.807 16.298 19.000 0.174 0.000 0.977 538 A HN 0.563 nan 8.150 nan 0.000 0.650 539 F N -1.532 118.449 119.950 0.052 0.000 2.383 539 F HA 0.292 4.820 4.527 0.001 0.000 0.287 539 F C 2.400 178.216 175.800 0.027 0.000 1.069 539 F CA 0.369 58.399 58.000 0.050 0.000 1.402 539 F CB -0.353 38.696 39.000 0.083 0.000 1.116 539 F HN 0.655 nan 8.300 nan 0.000 0.549 540 G N 1.639 110.567 108.800 0.213 0.000 2.698 540 G HA2 -0.461 3.500 3.960 0.001 0.000 0.337 540 G HA3 -0.461 3.500 3.960 0.001 0.000 0.337 540 G C 0.791 175.745 174.900 0.091 0.000 1.196 540 G CA 1.251 46.418 45.100 0.112 0.000 0.965 540 G HN 0.320 nan 8.290 nan 0.000 0.550 541 E N 0.614 120.852 120.200 0.063 0.000 2.106 541 E HA 0.091 4.442 4.350 0.001 0.000 0.192 541 E C 2.491 179.105 176.600 0.023 0.000 0.984 541 E CA 1.555 57.975 56.400 0.034 0.000 0.806 541 E CB -0.135 29.579 29.700 0.024 0.000 0.750 541 E HN 0.599 nan 8.360 nan 0.000 0.458 542 K N 0.235 120.646 120.400 0.019 0.000 2.365 542 K HA -0.014 4.306 4.320 0.001 0.000 0.197 542 K C 1.843 178.447 176.600 0.006 0.000 1.042 542 K CA 0.443 56.722 56.287 -0.013 0.000 0.987 542 K CB -0.143 32.312 32.500 -0.076 0.000 0.779 542 K HN 0.078 nan 8.250 nan 0.000 0.484 543 L N -0.027 121.249 121.223 0.088 0.000 2.034 543 L HA -0.237 4.103 4.340 0.001 0.000 0.217 543 L C 2.041 178.857 176.870 -0.090 0.000 1.077 543 L CA 1.961 56.865 54.840 0.106 0.000 0.769 543 L CB -1.989 40.140 42.059 0.117 0.000 0.890 543 L HN -0.084 nan 8.230 nan 0.000 0.435 544 T N -0.214 114.282 114.554 -0.097 0.000 2.607 544 T HA -0.216 4.135 4.350 0.001 0.000 0.267 544 T C 1.784 176.396 174.700 -0.146 0.000 1.049 544 T CA 1.940 63.957 62.100 -0.139 0.000 1.162 544 T CB -0.434 68.369 68.868 -0.107 0.000 0.863 544 T HN 0.497 nan 8.240 nan 0.000 0.424 545 E N 0.765 120.915 120.200 -0.084 0.000 2.130 545 E HA -0.182 4.169 4.350 0.001 0.000 0.196 545 E C 2.346 178.835 176.600 -0.185 0.000 0.998 545 E CA 1.027 57.382 56.400 -0.075 0.000 0.806 545 E CB -0.067 29.663 29.700 0.050 0.000 0.738 545 E HN 0.503 nan 8.360 nan 0.000 0.459 546 K N 0.066 120.396 120.400 -0.117 0.000 2.098 546 K HA 0.028 4.349 4.320 0.001 0.000 0.203 546 K C 2.293 178.838 176.600 -0.092 0.000 1.051 546 K CA 0.731 56.980 56.287 -0.064 0.000 0.957 546 K CB -0.111 32.427 32.500 0.064 0.000 0.738 546 K HN -0.001 nan 8.250 nan 0.000 0.447 547 A N 2.054 124.734 122.820 -0.233 0.000 1.892 547 A HA -0.194 4.127 4.320 0.001 0.000 0.218 547 A C 2.194 179.629 177.584 -0.249 0.000 1.188 547 A CA 1.613 53.429 52.037 -0.369 0.000 0.631 547 A CB -0.699 17.953 19.000 -0.579 0.000 0.822 547 A HN 0.188 nan 8.150 nan 0.000 0.447 548 I N -0.798 119.568 120.570 -0.341 0.000 2.333 548 I HA -0.086 4.084 4.170 0.001 0.000 0.246 548 I C 2.689 178.538 176.117 -0.446 0.000 1.106 548 I CA 0.871 61.913 61.300 -0.431 0.000 1.411 548 I CB -0.619 37.013 38.000 -0.615 0.000 1.082 548 I HN 0.382 nan 8.210 nan 0.000 0.420 549 G N 0.580 108.940 108.800 -0.734 0.000 2.462 549 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 549 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 549 G C 1.207 175.962 174.900 -0.241 0.000 1.121 549 G CA 0.973 45.603 45.100 -0.783 0.000 0.758 549 G HN 0.279 nan 8.290 nan 0.000 0.559 550 D N 0.312 120.612 120.400 -0.168 0.000 2.104 550 D HA -0.110 4.531 4.640 0.001 0.000 0.194 550 D C 2.798 178.998 176.300 -0.167 0.000 0.994 550 D CA 0.945 54.887 54.000 -0.097 0.000 0.830 550 D CB -0.598 40.198 40.800 -0.007 0.000 0.959 550 D HN 0.197 nan 8.370 nan 0.000 0.452 551 V N 0.785 120.580 119.914 -0.199 0.000 2.282 551 V HA -0.279 3.841 4.120 0.001 0.000 0.249 551 V C 2.239 178.158 176.094 -0.292 0.000 1.057 551 V CA 1.484 63.627 62.300 -0.261 0.000 1.032 551 V CB -0.692 30.963 31.823 -0.281 0.000 0.645 551 V HN 0.069 nan 8.190 nan 0.000 0.447 552 F N 1.249 121.013 119.950 -0.311 0.000 2.046 552 F HA -0.262 4.266 4.527 0.001 0.000 0.297 552 F C 2.920 178.628 175.800 -0.154 0.000 1.123 552 F CA 2.152 59.911 58.000 -0.403 0.000 1.199 552 F CB -1.102 37.374 39.000 -0.873 0.000 0.972 552 F HN 0.249 nan 8.300 nan 0.000 0.474 553 S N 0.260 116.034 115.700 0.123 0.000 2.423 553 S HA -0.215 4.256 4.470 0.001 0.000 0.238 553 S C 1.834 176.531 174.600 0.163 0.000 1.028 553 S CA 1.554 59.901 58.200 0.245 0.000 1.000 553 S CB -0.796 62.493 63.200 0.149 0.000 0.797 553 S HN 0.420 nan 8.310 nan 0.000 0.487 554 L N 0.117 121.359 121.223 0.032 0.000 2.145 554 L HA 0.176 4.516 4.340 0.001 0.000 0.201 554 L C 2.607 179.568 176.870 0.151 0.000 1.075 554 L CA 0.688 55.542 54.840 0.023 0.000 0.773 554 L CB -0.596 41.314 42.059 -0.249 0.000 0.936 554 L HN 0.256 nan 8.230 nan 0.000 0.451 555 L N -0.183 121.098 121.223 0.097 0.000 2.081 555 L HA -0.242 4.099 4.340 0.001 0.000 0.212 555 L C 2.689 179.795 176.870 0.394 0.000 1.080 555 L CA 1.278 56.219 54.840 0.167 0.000 0.754 555 L CB -0.593 41.416 42.059 -0.084 0.000 0.893 555 L HN 0.351 nan 8.230 nan 0.000 0.433 556 E N 0.519 120.966 120.200 0.412 0.000 2.106 556 E HA -0.191 4.160 4.350 0.001 0.000 0.192 556 E C 2.147 178.911 176.600 0.275 0.000 0.984 556 E CA 1.071 57.731 56.400 0.433 0.000 0.806 556 E CB 0.163 30.177 29.700 0.523 0.000 0.750 556 E HN 0.460 nan 8.360 nan 0.000 0.458 557 K N 0.142 120.680 120.400 0.230 0.000 2.155 557 K HA -0.023 4.297 4.320 0.001 0.000 0.203 557 K C 2.039 178.728 176.600 0.148 0.000 1.052 557 K CA 0.572 56.958 56.287 0.165 0.000 0.948 557 K CB -0.014 32.576 32.500 0.149 0.000 0.728 557 K HN 0.119 nan 8.250 nan 0.000 0.448 558 L N -0.013 121.328 121.223 0.197 0.000 2.622 558 L HA 0.092 4.433 4.340 0.001 0.000 0.233 558 L C 0.914 177.807 176.870 0.038 0.000 1.156 558 L CA 0.400 55.332 54.840 0.153 0.000 0.866 558 L CB -0.437 41.787 42.059 0.274 0.000 0.980 558 L HN 0.315 nan 8.230 nan 0.000 0.448 559 G N -0.071 108.779 108.800 0.085 0.000 2.212 559 G HA2 -0.292 3.669 3.960 0.001 0.000 0.255 559 G HA3 -0.292 3.669 3.960 0.001 0.000 0.255 559 G C -0.118 174.737 174.900 -0.075 0.000 1.062 559 G CA -0.532 44.570 45.100 0.003 0.000 0.815 559 G HN 0.213 nan 8.290 nan 0.000 0.497 560 F N 1.269 121.293 119.950 0.123 0.000 2.413 560 F HA 0.453 4.980 4.527 0.001 0.000 0.359 560 F C 1.161 177.153 175.800 0.319 0.000 1.122 560 F CA -0.318 57.763 58.000 0.135 0.000 1.160 560 F CB 0.901 39.899 39.000 -0.005 0.000 1.146 560 F HN 0.001 nan 8.300 nan 0.000 0.514 561 K N 2.620 123.250 120.400 0.383 0.000 2.120 561 K HA 0.240 4.561 4.320 0.001 0.000 0.245 561 K C 0.068 176.900 176.600 0.388 0.000 1.024 561 K CA -0.948 55.520 56.287 0.301 0.000 0.906 561 K CB 0.631 33.224 32.500 0.155 0.000 1.051 561 K HN 0.447 nan 8.250 nan 0.000 0.491 562 K N 0.195 120.692 120.400 0.162 0.000 2.569 562 K HA -0.153 4.168 4.320 0.001 0.000 0.280 562 K C 0.929 177.639 176.600 0.184 0.000 0.984 562 K CA 1.528 57.867 56.287 0.087 0.000 1.064 562 K CB 0.006 32.513 32.500 0.011 0.000 0.866 562 K HN 0.865 nan 8.250 nan 0.000 0.492 563 G N 1.308 110.240 108.800 0.221 0.000 2.217 563 G HA2 -0.297 3.664 3.960 0.001 0.000 0.246 563 G HA3 -0.297 3.664 3.960 0.001 0.000 0.246 563 G C -0.065 174.966 174.900 0.217 0.000 0.990 563 G CA 0.238 45.451 45.100 0.188 0.000 0.627 563 G HN 0.694 nan 8.290 nan 0.000 0.522 564 S N 0.025 115.915 115.700 0.317 0.000 2.580 564 S HA 0.645 5.116 4.470 0.001 0.000 0.274 564 S C -0.072 174.589 174.600 0.102 0.000 1.329 564 S CA -0.156 58.167 58.200 0.206 0.000 1.036 564 S CB 2.327 65.678 63.200 0.251 0.000 0.919 564 S HN 0.534 nan 8.310 nan 0.000 0.515 565 K N 1.427 121.827 120.400 0.000 0.000 2.234 565 K HA 0.562 4.883 4.320 0.001 0.000 0.282 565 K C -1.295 175.160 176.600 -0.240 0.000 1.039 565 K CA -0.273 55.968 56.287 -0.076 0.000 0.928 565 K CB 0.146 32.603 32.500 -0.071 0.000 1.039 565 K HN 0.726 nan 8.250 nan 0.000 0.470 566 I N 4.705 125.121 120.570 -0.257 0.000 2.529 566 I HA 0.208 4.379 4.170 0.001 0.000 0.284 566 I C -1.169 174.761 176.117 -0.311 0.000 1.088 566 I CA -0.971 60.093 61.300 -0.393 0.000 1.062 566 I CB 2.047 39.744 38.000 -0.506 0.000 1.218 566 I HN 0.226 nan 8.210 nan 0.000 0.442 567 V N 6.943 126.630 119.914 -0.378 0.000 2.439 567 V HA 0.460 4.581 4.120 0.001 0.000 0.282 567 V C -0.077 175.862 176.094 -0.258 0.000 1.039 567 V CA -0.667 61.488 62.300 -0.242 0.000 0.913 567 V CB 1.884 33.648 31.823 -0.099 0.000 0.983 567 V HN 0.366 nan 8.190 nan 0.000 0.460 568 V N 4.706 124.494 119.914 -0.209 0.000 2.409 568 V HA 0.415 4.536 4.120 0.001 0.000 0.291 568 V C -0.502 175.550 176.094 -0.070 0.000 1.020 568 V CA -0.661 61.517 62.300 -0.203 0.000 0.848 568 V CB 1.382 33.068 31.823 -0.229 0.000 0.990 568 V HN 0.929 nan 8.190 nan 0.000 0.430 569 H N 3.907 122.932 119.070 -0.075 0.000 2.556 569 H HA 0.556 5.113 4.556 0.001 0.000 0.310 569 H C 0.001 175.295 175.328 -0.058 0.000 1.057 569 H CA -0.797 55.206 56.048 -0.074 0.000 1.264 569 H CB 1.416 31.139 29.762 -0.065 0.000 1.404 569 H HN 0.505 nan 8.280 nan 0.000 0.462 570 R N 2.211 122.746 120.500 0.058 0.000 2.349 570 R HA 0.083 4.423 4.340 0.001 0.000 0.299 570 R C -0.737 175.595 176.300 0.053 0.000 1.027 570 R CA -0.612 55.517 56.100 0.047 0.000 0.958 570 R CB 0.649 30.963 30.300 0.024 0.000 1.047 570 R HN 0.555 nan 8.270 nan 0.000 0.468 571 D N 3.137 123.576 120.400 0.064 0.000 2.348 571 D HA 0.352 4.993 4.640 0.001 0.000 0.253 571 D C 0.437 176.776 176.300 0.066 0.000 1.161 571 D CA 1.763 55.799 54.000 0.061 0.000 0.876 571 D CB 0.981 41.824 40.800 0.071 0.000 1.160 571 D HN 0.758 nan 8.370 nan 0.000 0.459 572 G N 4.016 112.848 108.800 0.053 0.000 2.642 572 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 572 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 572 G C -0.217 174.712 174.900 0.049 0.000 1.338 572 G CA -0.427 44.706 45.100 0.054 0.000 0.883 572 G HN 0.693 nan 8.290 nan 0.000 0.570 573 R N -0.911 119.615 120.500 0.045 0.000 2.615 573 R HA 0.599 4.940 4.340 0.001 0.000 0.270 573 R C 0.273 176.602 176.300 0.049 0.000 1.081 573 R CA -0.379 55.731 56.100 0.017 0.000 1.154 573 R CB 0.582 30.863 30.300 -0.032 0.000 1.063 573 R HN 0.448 nan 8.270 nan 0.000 0.519 574 L N 1.570 122.810 121.223 0.027 0.000 2.334 574 L HA 0.434 4.775 4.340 0.001 0.000 0.272 574 L C -0.845 176.049 176.870 0.040 0.000 1.020 574 L CA -0.924 53.980 54.840 0.107 0.000 0.812 574 L CB 1.062 43.175 42.059 0.089 0.000 1.264 574 L HN 0.432 nan 8.230 nan 0.000 0.439 575 Y N 0.766 121.114 120.300 0.081 0.000 2.419 575 Y HA 0.343 4.894 4.550 0.001 0.000 0.328 575 Y C 1.226 177.181 175.900 0.093 0.000 1.162 575 Y CA -0.647 57.501 58.100 0.080 0.000 1.174 575 Y CB 1.217 39.724 38.460 0.079 0.000 1.228 575 Y HN 0.433 nan 8.280 nan 0.000 0.473 576 R N 0.417 121.053 120.500 0.227 0.000 2.096 576 R HA -0.214 4.127 4.340 0.001 0.000 0.240 576 R C 1.076 177.490 176.300 0.191 0.000 1.139 576 R CA 1.981 58.184 56.100 0.172 0.000 0.952 576 R CB -0.304 30.071 30.300 0.125 0.000 0.854 576 R HN 0.821 nan 8.270 nan 0.000 0.436 577 D N 0.946 121.476 120.400 0.217 0.000 2.269 577 D HA -0.230 4.411 4.640 0.001 0.000 0.191 577 D C 1.832 178.239 176.300 0.178 0.000 1.007 577 D CA 1.935 56.025 54.000 0.150 0.000 0.855 577 D CB -0.299 40.545 40.800 0.073 0.000 0.979 577 D HN 0.472 nan 8.370 nan 0.000 0.452 578 E N 0.515 120.865 120.200 0.250 0.000 2.106 578 E HA -0.093 4.258 4.350 0.001 0.000 0.192 578 E C 2.516 179.425 176.600 0.515 0.000 0.984 578 E CA 0.521 57.125 56.400 0.340 0.000 0.806 578 E CB -0.090 29.838 29.700 0.380 0.000 0.750 578 E HN 0.137 nan 8.360 nan 0.000 0.458 579 V N 2.186 122.322 119.914 0.371 0.000 2.220 579 V HA -0.316 3.805 4.120 0.001 0.000 0.246 579 V C 2.581 178.850 176.094 0.293 0.000 1.049 579 V CA 2.042 64.543 62.300 0.336 0.000 1.003 579 V CB -1.012 30.933 31.823 0.204 0.000 0.634 579 V HN 0.334 nan 8.190 nan 0.000 0.444 580 A N 0.090 123.021 122.820 0.185 0.000 1.903 580 A HA -0.293 4.028 4.320 0.001 0.000 0.219 580 A C 2.425 180.094 177.584 0.141 0.000 1.191 580 A CA 2.968 55.076 52.037 0.117 0.000 0.638 580 A CB -1.068 17.984 19.000 0.086 0.000 0.823 580 A HN 0.669 nan 8.150 nan 0.000 0.451 581 A N -1.402 121.524 122.820 0.177 0.000 1.858 581 A HA -0.045 4.276 4.320 0.001 0.000 0.216 581 A C 2.020 179.713 177.584 0.182 0.000 1.190 581 A CA 1.612 53.749 52.037 0.168 0.000 0.617 581 A CB -0.864 18.148 19.000 0.020 0.000 0.827 581 A HN 0.503 nan 8.150 nan 0.000 0.443 582 F N 0.039 120.118 119.950 0.215 0.000 2.161 582 F HA -0.180 4.347 4.527 0.001 0.000 0.300 582 F C 2.356 178.300 175.800 0.240 0.000 1.089 582 F CA 1.964 60.147 58.000 0.306 0.000 1.282 582 F CB -0.094 39.126 39.000 0.367 0.000 1.010 582 F HN 0.134 nan 8.300 nan 0.000 0.485 583 K N 0.351 120.932 120.400 0.302 0.000 2.148 583 K HA -0.155 4.165 4.320 0.001 0.000 0.204 583 K C 1.972 178.578 176.600 0.010 0.000 1.050 583 K CA 1.355 57.695 56.287 0.088 0.000 0.942 583 K CB -0.028 32.442 32.500 -0.050 0.000 0.724 583 K HN 0.322 nan 8.250 nan 0.000 0.446 584 K N -0.704 119.671 120.400 -0.041 0.000 2.067 584 K HA -0.062 4.259 4.320 0.001 0.000 0.203 584 K C 1.686 178.061 176.600 -0.375 0.000 1.048 584 K CA 1.047 57.201 56.287 -0.221 0.000 0.954 584 K CB -0.392 31.904 32.500 -0.340 0.000 0.737 584 K HN 0.059 nan 8.250 nan 0.000 0.444 585 Y N 2.317 122.336 120.300 -0.468 0.000 2.352 585 Y HA -0.017 4.534 4.550 0.001 0.000 0.292 585 Y C 2.762 178.125 175.900 -0.895 0.000 1.136 585 Y CA 1.105 58.648 58.100 -0.927 0.000 1.227 585 Y CB -0.742 36.717 38.460 -1.669 0.000 0.991 585 Y HN 0.264 nan 8.280 nan 0.000 0.545 586 G N 0.175 108.810 108.800 -0.275 0.000 2.514 586 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 586 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 586 G C 1.515 176.515 174.900 0.166 0.000 1.198 586 G CA 1.296 46.557 45.100 0.270 0.000 0.780 586 G HN 0.398 nan 8.290 nan 0.000 0.565 587 E N -0.039 120.194 120.200 0.054 0.000 2.106 587 E HA 0.005 4.355 4.350 0.001 0.000 0.192 587 E C 2.656 179.244 176.600 -0.019 0.000 0.984 587 E CA 0.196 56.606 56.400 0.017 0.000 0.806 587 E CB -0.194 29.494 29.700 -0.021 0.000 0.750 587 E HN 0.292 nan 8.360 nan 0.000 0.458 588 L N 0.030 121.221 121.223 -0.053 0.000 2.051 588 L HA -0.233 4.108 4.340 0.001 0.000 0.214 588 L C 1.897 178.775 176.870 0.013 0.000 1.076 588 L CA 1.654 56.479 54.840 -0.025 0.000 0.758 588 L CB -0.443 41.607 42.059 -0.015 0.000 0.890 588 L HN 0.275 nan 8.230 nan 0.000 0.433 589 Y N -0.490 119.688 120.300 -0.203 0.000 2.457 589 Y HA 0.228 4.779 4.550 0.001 0.000 0.263 589 Y C 1.666 177.291 175.900 -0.459 0.000 1.164 589 Y CA -0.034 57.849 58.100 -0.362 0.000 1.274 589 Y CB -0.302 37.853 38.460 -0.508 0.000 1.097 589 Y HN 0.273 nan 8.280 nan 0.000 0.523 590 G N 0.450 109.205 108.800 -0.075 0.000 2.356 590 G HA2 -0.336 3.625 3.960 0.001 0.000 0.296 590 G HA3 -0.336 3.625 3.960 0.001 0.000 0.296 590 G C -0.323 174.625 174.900 0.079 0.000 1.022 590 G CA -0.008 45.085 45.100 -0.011 0.000 0.961 590 G HN 0.495 nan 8.290 nan 0.000 0.510 591 Y N 0.152 120.596 120.300 0.239 0.000 2.387 591 Y HA 0.542 5.092 4.550 0.001 0.000 0.330 591 Y C 1.126 177.130 175.900 0.173 0.000 1.133 591 Y CA -0.573 57.651 58.100 0.208 0.000 1.152 591 Y CB 1.759 40.373 38.460 0.256 0.000 1.215 591 Y HN 0.373 nan 8.280 nan 0.000 0.466 592 S N 2.692 118.565 115.700 0.289 0.000 2.554 592 S HA 0.658 5.128 4.470 0.001 0.000 0.278 592 S C -1.166 173.523 174.600 0.147 0.000 1.242 592 S CA -0.724 57.597 58.200 0.203 0.000 1.051 592 S CB 1.625 64.904 63.200 0.133 0.000 0.986 592 S HN 0.564 nan 8.310 nan 0.000 0.502 593 L N 2.167 123.471 121.223 0.135 0.000 2.491 593 L HA 0.471 4.812 4.340 0.001 0.000 0.267 593 L C -1.221 175.522 176.870 -0.212 0.000 0.971 593 L CA -0.217 54.641 54.840 0.031 0.000 0.857 593 L CB 1.752 43.950 42.059 0.232 0.000 1.226 593 L HN 0.705 nan 8.230 nan 0.000 0.408 594 E N 4.550 124.607 120.200 -0.238 0.000 2.283 594 E HA 0.464 4.815 4.350 0.001 0.000 0.278 594 E C -1.061 175.295 176.600 -0.406 0.000 1.027 594 E CA -0.478 55.725 56.400 -0.327 0.000 0.843 594 E CB 2.302 31.908 29.700 -0.156 0.000 1.062 594 E HN 0.433 nan 8.360 nan 0.000 0.401 595 L N 3.966 124.852 121.223 -0.561 0.000 2.409 595 L HA 0.462 4.803 4.340 0.001 0.000 0.272 595 L C -1.707 175.004 176.870 -0.266 0.000 0.980 595 L CA -0.748 53.814 54.840 -0.462 0.000 0.826 595 L CB 1.277 42.968 42.059 -0.615 0.000 1.268 595 L HN 0.481 nan 8.230 nan 0.000 0.407 596 L N 1.108 122.239 121.223 -0.153 0.000 2.469 596 L HA 0.739 5.079 4.340 0.001 0.000 0.256 596 L C -0.933 175.902 176.870 -0.059 0.000 1.006 596 L CA -0.647 54.143 54.840 -0.083 0.000 0.832 596 L CB 1.942 43.964 42.059 -0.062 0.000 1.421 596 L HN 0.555 nan 8.230 nan 0.000 0.410 597 E N 1.459 121.631 120.200 -0.047 0.000 2.231 597 E HA 0.679 5.030 4.350 0.001 0.000 0.277 597 E C -1.166 175.408 176.600 -0.044 0.000 0.999 597 E CA -0.478 55.905 56.400 -0.028 0.000 0.827 597 E CB 2.240 31.933 29.700 -0.011 0.000 1.101 597 E HN 0.531 nan 8.360 nan 0.000 0.393 598 I N 4.118 124.669 120.570 -0.032 0.000 2.389 598 I HA 0.346 4.517 4.170 0.001 0.000 0.288 598 I C -0.561 175.555 176.117 -0.002 0.000 0.999 598 I CA -0.468 60.808 61.300 -0.040 0.000 1.129 598 I CB 1.148 39.107 38.000 -0.067 0.000 1.288 598 I HN 0.319 nan 8.210 nan 0.000 0.444 599 I N 6.775 127.350 120.570 0.008 0.000 2.410 599 I HA 0.263 4.434 4.170 0.001 0.000 0.286 599 I C 0.757 176.896 176.117 0.037 0.000 1.009 599 I CA -0.610 60.705 61.300 0.026 0.000 1.111 599 I CB 1.801 39.816 38.000 0.025 0.000 1.262 599 I HN 0.682 nan 8.210 nan 0.000 0.443 600 K N 4.906 125.332 120.400 0.044 0.000 2.211 600 K HA 0.177 4.498 4.320 0.001 0.000 0.201 600 K C 0.654 177.286 176.600 0.054 0.000 1.052 600 K CA 0.192 56.511 56.287 0.053 0.000 0.973 600 K CB 0.142 32.677 32.500 0.057 0.000 0.766 600 K HN 0.452 nan 8.250 nan 0.000 0.466 601 R N 1.855 122.385 120.500 0.052 0.000 2.404 601 R HA 0.176 4.517 4.340 0.001 0.000 0.291 601 R C -0.341 175.996 176.300 0.061 0.000 1.025 601 R CA -0.386 55.745 56.100 0.052 0.000 0.991 601 R CB 0.588 30.917 30.300 0.048 0.000 1.053 601 R HN 0.241 nan 8.270 nan 0.000 0.479 602 N N 1.397 120.137 118.700 0.067 0.000 2.735 602 N HA -0.207 4.534 4.740 0.001 0.000 0.248 602 N C -1.022 174.589 175.510 0.168 0.000 1.083 602 N CA 0.742 53.848 53.050 0.093 0.000 0.703 602 N CB -1.100 37.421 38.487 0.056 0.000 1.005 602 N HN 0.601 nan 8.380 nan 0.000 0.550 603 N N 1.092 119.864 118.700 0.121 0.000 2.513 603 N HA 0.342 5.082 4.740 0.001 0.000 0.274 603 N C -2.152 173.377 175.510 0.031 0.000 1.189 603 N CA -1.091 52.003 53.050 0.073 0.000 0.975 603 N CB 0.437 38.943 38.487 0.031 0.000 1.157 603 N HN 0.032 nan 8.380 nan 0.000 0.465 604 P HA 0.055 nan 4.420 nan 0.000 0.267 604 P C -0.191 176.950 177.300 -0.265 0.000 1.201 604 P CA 0.406 63.264 63.100 -0.404 0.000 0.775 604 P CB 0.695 32.005 31.700 -0.649 0.000 0.854 605 R N 1.410 121.811 120.500 -0.164 0.000 2.643 605 R HA 0.542 4.883 4.340 0.001 0.000 0.272 605 R C -0.408 175.687 176.300 -0.342 0.000 0.995 605 R CA -0.645 55.339 56.100 -0.194 0.000 1.032 605 R CB 0.805 31.025 30.300 -0.133 0.000 1.126 605 R HN 0.382 nan 8.270 nan 0.000 0.505 606 F N 1.289 121.131 119.950 -0.180 0.000 2.421 606 F HA 0.417 4.945 4.527 0.001 0.000 0.337 606 F C -0.328 175.232 175.800 -0.399 0.000 1.105 606 F CA -0.310 57.597 58.000 -0.155 0.000 1.049 606 F CB 0.965 39.869 39.000 -0.160 0.000 1.139 606 F HN 0.250 nan 8.300 nan 0.000 0.479 607 F N 1.780 121.815 119.950 0.141 0.000 2.529 607 F HA 0.594 5.121 4.527 0.001 0.000 0.320 607 F C -0.108 175.701 175.800 0.015 0.000 1.118 607 F CA -0.639 57.399 58.000 0.064 0.000 0.915 607 F CB 2.181 41.202 39.000 0.035 0.000 1.161 607 F HN 0.306 nan 8.300 nan 0.000 0.445 608 S N 1.992 117.764 115.700 0.120 0.000 2.579 608 S HA 0.242 4.713 4.470 0.001 0.000 0.290 608 S C -0.289 174.292 174.600 -0.032 0.000 1.123 608 S CA -0.757 57.440 58.200 -0.004 0.000 0.894 608 S CB 0.827 63.930 63.200 -0.161 0.000 1.095 608 S HN 0.603 nan 8.310 nan 0.000 0.450 609 N N 1.801 120.484 118.700 -0.029 0.000 2.300 609 N HA 0.034 4.775 4.740 0.001 0.000 0.179 609 N C 0.358 175.826 175.510 -0.070 0.000 1.016 609 N CA 0.464 53.490 53.050 -0.041 0.000 0.876 609 N CB -0.112 38.363 38.487 -0.019 0.000 0.979 609 N HN 0.706 nan 8.380 nan 0.000 0.432 610 E N 1.491 121.648 120.200 -0.072 0.000 2.465 610 E HA -0.107 4.243 4.350 0.001 0.000 0.260 610 E C 0.793 177.298 176.600 -0.159 0.000 0.980 610 E CA 0.297 56.651 56.400 -0.077 0.000 0.927 610 E CB 0.810 30.472 29.700 -0.064 0.000 0.934 610 E HN 0.160 nan 8.360 nan 0.000 0.459 611 K N 3.974 124.254 120.400 -0.200 0.000 2.262 611 K HA -0.002 4.319 4.320 0.001 0.000 0.200 611 K C 0.144 176.387 176.600 -0.595 0.000 1.049 611 K CA 0.381 56.415 56.287 -0.421 0.000 0.979 611 K CB 0.193 32.350 32.500 -0.572 0.000 0.773 611 K HN 0.350 nan 8.250 nan 0.000 0.474 612 F N 1.503 121.416 119.950 -0.062 0.000 2.573 612 F HA 0.243 4.770 4.527 0.001 0.000 0.349 612 F C 0.937 176.710 175.800 -0.045 0.000 1.213 612 F CA -0.351 57.622 58.000 -0.044 0.000 1.300 612 F CB 0.308 39.301 39.000 -0.012 0.000 1.661 612 F HN -0.041 nan 8.300 nan 0.000 0.616 613 I N 0.314 120.807 120.570 -0.128 0.000 2.876 613 I HA -0.093 4.078 4.170 0.001 0.000 0.264 613 I C 1.469 177.475 176.117 -0.185 0.000 1.204 613 I CA 0.305 61.396 61.300 -0.348 0.000 1.485 613 I CB -0.045 37.620 38.000 -0.558 0.000 1.103 613 I HN 0.199 nan 8.210 nan 0.000 0.446 614 K N 1.257 121.594 120.400 -0.106 0.000 2.453 614 K HA 0.085 4.406 4.320 0.001 0.000 0.280 614 K C 0.909 177.539 176.600 0.049 0.000 1.045 614 K CA 1.112 57.344 56.287 -0.091 0.000 1.059 614 K CB 0.159 32.668 32.500 0.014 0.000 0.901 614 K HN 0.373 nan 8.250 nan 0.000 0.475 615 G N 3.342 112.128 108.800 -0.024 0.000 2.376 615 G HA2 -0.277 3.684 3.960 0.001 0.000 0.208 615 G HA3 -0.277 3.684 3.960 0.001 0.000 0.208 615 G C -0.442 174.528 174.900 0.116 0.000 1.032 615 G CA -0.257 44.883 45.100 0.066 0.000 0.641 615 G HN 0.595 nan 8.290 nan 0.000 0.503 616 Y N 1.607 121.815 120.300 -0.154 0.000 2.903 616 Y HA 0.383 4.934 4.550 0.001 0.000 0.338 616 Y C 0.915 176.807 175.900 -0.013 0.000 1.265 616 Y CA 1.296 59.276 58.100 -0.200 0.000 1.532 616 Y CB -0.007 38.086 38.460 -0.612 0.000 1.293 616 Y HN 0.558 nan 8.280 nan 0.000 0.609 617 F N 1.296 121.314 119.950 0.113 0.000 2.662 617 F HA 0.647 5.175 4.527 0.001 0.000 0.312 617 F C -2.065 173.938 175.800 0.338 0.000 1.113 617 F CA -1.857 56.291 58.000 0.247 0.000 0.951 617 F CB 1.512 40.567 39.000 0.091 0.000 1.344 617 F HN 0.317 nan 8.300 nan 0.000 0.462 618 Y N 1.716 122.172 120.300 0.259 0.000 2.457 618 Y HA 0.524 5.074 4.550 0.001 0.000 0.343 618 Y C -1.262 174.730 175.900 0.154 0.000 0.994 618 Y CA -1.046 57.101 58.100 0.078 0.000 1.031 618 Y CB 1.786 40.270 38.460 0.041 0.000 1.246 618 Y HN 0.600 nan 8.280 nan 0.000 0.449 619 K N 7.034 127.221 120.400 -0.356 0.000 2.213 619 K HA 0.435 4.756 4.320 0.001 0.000 0.270 619 K C -1.037 175.486 176.600 -0.128 0.000 1.002 619 K CA -0.400 55.818 56.287 -0.115 0.000 0.868 619 K CB 1.397 33.833 32.500 -0.107 0.000 1.093 619 K HN 0.723 nan 8.250 nan 0.000 0.454 620 L N 0.961 122.208 121.223 0.039 0.000 2.416 620 L HA 0.290 4.631 4.340 0.001 0.000 0.263 620 L C 0.733 177.593 176.870 -0.016 0.000 1.065 620 L CA -0.929 53.937 54.840 0.043 0.000 0.798 620 L CB 0.909 43.017 42.059 0.081 0.000 1.267 620 L HN 0.624 nan 8.230 nan 0.000 0.467 621 S N 0.299 115.985 115.700 -0.024 0.000 2.702 621 S HA -0.060 4.410 4.470 0.001 0.000 0.314 621 S C 0.553 175.147 174.600 -0.009 0.000 1.244 621 S CA 0.384 58.567 58.200 -0.028 0.000 1.058 621 S CB 0.507 63.699 63.200 -0.015 0.000 0.783 621 S HN 0.907 nan 8.310 nan 0.000 0.503 622 E N 0.663 120.855 120.200 -0.015 0.000 4.377 622 E HA -0.187 4.163 4.350 0.001 0.000 0.393 622 E C -1.096 175.502 176.600 -0.004 0.000 0.583 622 E CA 0.707 57.106 56.400 -0.003 0.000 1.506 622 E CB -1.570 28.134 29.700 0.007 0.000 1.881 622 E HN 0.968 nan 8.360 nan 0.000 0.344 623 D N 0.188 120.582 120.400 -0.009 0.000 2.760 623 D HA -0.137 4.504 4.640 0.001 0.000 0.244 623 D C -0.604 175.692 176.300 -0.007 0.000 1.123 623 D CA 1.494 55.487 54.000 -0.011 0.000 0.719 623 D CB -1.974 38.816 40.800 -0.017 0.000 1.045 623 D HN 0.376 nan 8.370 nan 0.000 0.426 624 S N -1.890 113.813 115.700 0.006 0.000 2.472 624 S HA 0.790 5.261 4.470 0.001 0.000 0.303 624 S C -0.001 174.626 174.600 0.044 0.000 1.099 624 S CA -0.809 57.400 58.200 0.014 0.000 1.077 624 S CB 2.813 66.024 63.200 0.018 0.000 1.031 624 S HN 0.098 nan 8.310 nan 0.000 0.487 625 V N 3.079 123.028 119.914 0.058 0.000 2.881 625 V HA 0.556 4.676 4.120 0.001 0.000 0.316 625 V C -0.275 175.906 176.094 0.146 0.000 1.070 625 V CA -1.001 61.379 62.300 0.133 0.000 0.976 625 V CB 1.774 33.658 31.823 0.102 0.000 1.038 625 V HN 0.940 nan 8.190 nan 0.000 0.446 626 I N 3.336 124.043 120.570 0.229 0.000 2.378 626 I HA 0.469 4.640 4.170 0.001 0.000 0.291 626 I C -1.222 175.102 176.117 0.346 0.000 0.992 626 I CA -0.523 60.893 61.300 0.192 0.000 1.154 626 I CB 1.693 39.740 38.000 0.078 0.000 1.315 626 I HN 0.361 nan 8.210 nan 0.000 0.448 627 L N 7.431 128.837 121.223 0.305 0.000 2.404 627 L HA 0.686 5.027 4.340 0.001 0.000 0.272 627 L C -0.199 176.833 176.870 0.269 0.000 0.980 627 L CA -0.274 54.744 54.840 0.297 0.000 0.836 627 L CB 1.547 43.676 42.059 0.118 0.000 1.238 627 L HN 0.624 nan 8.230 nan 0.000 0.408 628 A N 3.300 126.215 122.820 0.160 0.000 2.488 628 A HA 0.504 4.825 4.320 0.001 0.000 0.249 628 A C 0.676 178.113 177.584 -0.245 0.000 1.083 628 A CA 0.467 52.374 52.037 -0.217 0.000 0.768 628 A CB 0.169 18.732 19.000 -0.728 0.000 1.017 628 A HN 0.886 nan 8.150 nan 0.000 0.496 629 T N 1.096 115.502 114.554 -0.247 0.000 2.958 629 T HA 0.216 4.566 4.350 0.001 0.000 0.256 629 T C 0.002 174.612 174.700 -0.149 0.000 0.983 629 T CA 0.553 62.565 62.100 -0.147 0.000 0.924 629 T CB -0.160 68.702 68.868 -0.009 0.000 1.136 629 T HN 0.705 nan 8.240 nan 0.000 0.506 630 Y N 0.703 120.908 120.300 -0.159 0.000 2.403 630 Y HA 0.747 5.298 4.550 0.001 0.000 0.323 630 Y C 0.031 175.839 175.900 -0.153 0.000 1.226 630 Y CA -1.728 56.238 58.100 -0.223 0.000 1.235 630 Y CB 0.414 38.623 38.460 -0.418 0.000 1.248 630 Y HN -0.270 nan 8.280 nan 0.000 0.489 631 N N 1.098 119.754 118.700 -0.072 0.000 2.493 631 N HA 0.113 4.854 4.740 0.001 0.000 0.275 631 N C -1.065 174.411 175.510 -0.056 0.000 1.186 631 N CA -0.563 52.413 53.050 -0.124 0.000 0.978 631 N CB 1.009 39.441 38.487 -0.092 0.000 1.184 631 N HN 0.744 nan 8.380 nan 0.000 0.487 632 Q N 0.740 120.447 119.800 -0.154 0.000 2.295 632 Q HA 0.294 4.635 4.340 0.001 0.000 0.259 632 Q C -1.145 174.819 176.000 -0.060 0.000 0.976 632 Q CA -0.211 55.562 55.803 -0.051 0.000 0.923 632 Q CB 0.620 29.291 28.738 -0.113 0.000 1.185 632 Q HN 0.247 nan 8.270 nan 0.000 0.410 633 V N 5.473 125.407 119.914 0.033 0.000 2.357 633 V HA 0.035 4.156 4.120 0.001 0.000 0.284 633 V C 0.166 176.332 176.094 0.118 0.000 1.018 633 V CA -0.402 61.926 62.300 0.048 0.000 0.841 633 V CB 1.122 32.970 31.823 0.043 0.000 0.991 633 V HN 0.901 nan 8.190 nan 0.000 0.437 634 Y N 3.145 123.425 120.300 -0.033 0.000 2.651 634 Y HA 0.026 4.577 4.550 0.001 0.000 0.296 634 Y C 1.109 176.999 175.900 -0.017 0.000 1.150 634 Y CA 0.724 58.810 58.100 -0.024 0.000 1.348 634 Y CB 0.574 39.018 38.460 -0.026 0.000 0.983 634 Y HN 0.566 nan 8.280 nan 0.000 0.555 635 E N 0.722 120.898 120.200 -0.040 0.000 2.256 635 E HA 0.327 4.678 4.350 0.001 0.000 0.243 635 E C -0.546 176.032 176.600 -0.037 0.000 0.925 635 E CA 0.020 56.359 56.400 -0.101 0.000 0.748 635 E CB 0.869 30.504 29.700 -0.109 0.000 1.206 635 E HN 0.442 nan 8.360 nan 0.000 0.428 636 G N 2.632 111.410 108.800 -0.037 0.000 3.383 636 G HA2 -0.181 3.780 3.960 0.001 0.000 0.685 636 G HA3 -0.181 3.780 3.960 0.001 0.000 0.685 636 G C 0.051 174.972 174.900 0.036 0.000 1.104 636 G CA -0.618 44.471 45.100 -0.018 0.000 0.957 636 G HN 0.326 nan 8.290 nan 0.000 0.461 637 T N 2.238 116.795 114.554 0.004 0.000 2.788 637 T HA 0.700 5.051 4.350 0.001 0.000 0.280 637 T C 0.477 175.158 174.700 -0.032 0.000 0.984 637 T CA -0.106 61.992 62.100 -0.003 0.000 0.972 637 T CB 1.197 70.042 68.868 -0.039 0.000 1.039 637 T HN 0.672 nan 8.240 nan 0.000 0.530 638 H N -0.628 118.059 119.070 -0.638 0.000 2.858 638 H HA 0.577 5.133 4.556 0.001 0.000 0.318 638 H C -0.398 174.588 175.328 -0.571 0.000 1.419 638 H CA -0.833 54.750 56.048 -0.775 0.000 1.373 638 H CB 0.910 29.931 29.762 -1.234 0.000 1.915 638 H HN 0.478 nan 8.280 nan 0.000 0.704 639 Q N 1.480 121.155 119.800 -0.207 0.000 2.340 639 Q HA 0.358 4.699 4.340 0.001 0.000 0.268 639 Q C -2.498 173.598 176.000 0.160 0.000 1.031 639 Q CA -2.147 53.655 55.803 -0.002 0.000 0.804 639 Q CB 2.454 31.192 28.738 0.000 0.000 1.286 639 Q HN 0.384 nan 8.270 nan 0.000 0.448 640 P HA 0.142 nan 4.420 nan 0.000 0.275 640 P C -0.589 176.835 177.300 0.207 0.000 1.270 640 P CA -0.209 63.139 63.100 0.413 0.000 0.791 640 P CB 0.647 32.612 31.700 0.441 0.000 1.089 641 I N -3.283 117.392 120.570 0.174 0.000 2.750 641 I HA 0.614 4.785 4.170 0.001 0.000 0.308 641 I C -0.026 176.137 176.117 0.077 0.000 1.016 641 I CA -1.285 60.072 61.300 0.095 0.000 1.098 641 I CB 1.912 39.946 38.000 0.057 0.000 1.279 641 I HN 0.161 nan 8.210 nan 0.000 0.454 642 K N 3.932 124.359 120.400 0.046 0.000 2.307 642 K HA 0.629 4.950 4.320 0.001 0.000 0.263 642 K C -1.818 174.788 176.600 0.009 0.000 0.973 642 K CA -0.590 55.720 56.287 0.038 0.000 0.846 642 K CB 1.925 34.445 32.500 0.033 0.000 1.100 642 K HN 0.636 nan 8.250 nan 0.000 0.438 643 V N 5.169 125.082 119.914 -0.002 0.000 2.370 643 V HA 0.417 4.538 4.120 0.001 0.000 0.283 643 V C -0.316 175.760 176.094 -0.030 0.000 1.023 643 V CA -0.752 61.522 62.300 -0.043 0.000 0.857 643 V CB 1.206 32.980 31.823 -0.082 0.000 0.985 643 V HN 0.774 nan 8.190 nan 0.000 0.443 644 R N 4.266 124.747 120.500 -0.032 0.000 2.439 644 R HA 0.441 4.781 4.340 0.001 0.000 0.310 644 R C -0.424 175.857 176.300 -0.031 0.000 0.955 644 R CA -0.713 55.375 56.100 -0.020 0.000 0.853 644 R CB 1.321 31.617 30.300 -0.005 0.000 1.171 644 R HN 0.703 nan 8.270 nan 0.000 0.449 645 K N 3.555 123.938 120.400 -0.028 0.000 2.205 645 K HA 0.171 4.492 4.320 0.001 0.000 0.279 645 K C -0.103 176.496 176.600 -0.001 0.000 1.027 645 K CA -0.303 55.965 56.287 -0.032 0.000 0.932 645 K CB 1.450 33.930 32.500 -0.033 0.000 1.032 645 K HN 0.439 nan 8.250 nan 0.000 0.466 646 V N 4.346 124.261 119.914 0.002 0.000 3.523 646 V HA 0.120 4.241 4.120 0.001 0.000 0.255 646 V C -0.678 175.563 176.094 0.245 0.000 1.226 646 V CA 0.169 62.524 62.300 0.092 0.000 1.092 646 V CB -0.714 31.164 31.823 0.092 0.000 0.817 646 V HN 0.890 nan 8.190 nan 0.000 0.458 647 Y N -2.705 117.592 120.300 -0.005 0.000 2.879 647 Y HA 0.653 5.204 4.550 0.002 0.000 0.385 647 Y C -0.552 175.355 175.900 0.012 0.000 1.153 647 Y CA -0.506 57.599 58.100 0.009 0.000 1.245 647 Y CB 0.385 38.859 38.460 0.023 0.000 1.472 647 Y HN 0.280 nan 8.280 nan 0.000 0.490 648 G N 1.006 109.904 108.800 0.165 0.000 2.357 648 G HA2 0.284 4.245 3.960 0.001 0.000 0.289 648 G HA3 0.284 4.245 3.960 0.001 0.000 0.289 648 G C -0.811 174.132 174.900 0.070 0.000 1.302 648 G CA -0.150 44.976 45.100 0.044 0.000 0.936 648 G HN 0.808 nan 8.290 nan 0.000 0.513 649 E N -0.644 119.579 120.200 0.038 0.000 2.490 649 E HA 0.201 4.551 4.350 0.001 0.000 0.209 649 E C 0.883 177.491 176.600 0.013 0.000 0.971 649 E CA -0.101 56.321 56.400 0.036 0.000 0.988 649 E CB 1.027 30.752 29.700 0.042 0.000 1.029 649 E HN 0.382 nan 8.360 nan 0.000 0.496 650 L N 3.791 125.012 121.223 -0.003 0.000 2.367 650 L HA 0.224 4.565 4.340 0.001 0.000 0.275 650 L C -2.214 174.645 176.870 -0.019 0.000 1.129 650 L CA -1.781 53.053 54.840 -0.010 0.000 0.839 650 L CB 0.280 42.334 42.059 -0.009 0.000 1.133 650 L HN -0.253 nan 8.230 nan 0.000 0.453 651 P HA 0.021 nan 4.420 nan 0.000 0.272 651 P C 0.921 178.185 177.300 -0.060 0.000 1.223 651 P CA -0.490 62.587 63.100 -0.040 0.000 0.784 651 P CB 0.708 32.381 31.700 -0.045 0.000 0.923 652 V N 1.270 121.141 119.914 -0.071 0.000 2.287 652 V HA -0.283 3.838 4.120 0.001 0.000 0.248 652 V C 1.833 177.838 176.094 -0.149 0.000 1.053 652 V CA 1.958 64.202 62.300 -0.093 0.000 1.027 652 V CB -1.576 30.197 31.823 -0.084 0.000 0.646 652 V HN 0.470 nan 8.190 nan 0.000 0.447 653 E N 0.676 120.757 120.200 -0.199 0.000 2.187 653 E HA -0.173 4.177 4.350 0.001 0.000 0.199 653 E C 2.022 178.508 176.600 -0.190 0.000 1.004 653 E CA 1.551 57.774 56.400 -0.294 0.000 0.813 653 E CB -0.676 28.845 29.700 -0.299 0.000 0.736 653 E HN 0.536 nan 8.360 nan 0.000 0.468 654 V N 0.147 119.994 119.914 -0.112 0.000 2.535 654 V HA -0.114 4.007 4.120 0.001 0.000 0.246 654 V C 2.051 178.119 176.094 -0.043 0.000 1.045 654 V CA 0.955 63.218 62.300 -0.061 0.000 1.058 654 V CB -0.346 31.461 31.823 -0.026 0.000 0.689 654 V HN 0.203 nan 8.190 nan 0.000 0.461 655 L N -0.642 120.552 121.223 -0.050 0.000 2.046 655 L HA -0.189 4.151 4.340 0.001 0.000 0.208 655 L C 2.653 179.466 176.870 -0.095 0.000 1.077 655 L CA 1.485 56.309 54.840 -0.027 0.000 0.747 655 L CB -0.911 41.126 42.059 -0.036 0.000 0.896 655 L HN 0.339 nan 8.230 nan 0.000 0.432 656 C N -1.212 118.002 119.300 -0.144 0.000 2.413 656 C HA -0.192 4.269 4.460 0.001 0.000 0.276 656 C C 3.320 178.200 174.990 -0.184 0.000 1.248 656 C CA 1.350 60.258 59.018 -0.184 0.000 1.742 656 C CB -0.829 26.784 27.740 -0.212 0.000 2.017 656 C HN 0.568 nan 8.230 nan 0.000 0.481 657 S N -0.329 115.293 115.700 -0.130 0.000 2.382 657 S HA -0.213 4.257 4.470 0.001 0.000 0.228 657 S C 1.919 176.479 174.600 -0.067 0.000 1.027 657 S CA 1.510 59.674 58.200 -0.060 0.000 0.991 657 S CB -0.275 62.924 63.200 -0.002 0.000 0.823 657 S HN 0.706 nan 8.310 nan 0.000 0.469 658 Q N 0.141 119.898 119.800 -0.071 0.000 2.124 658 Q HA 0.005 4.346 4.340 0.001 0.000 0.202 658 Q C 2.082 177.935 176.000 -0.245 0.000 0.977 658 Q CA 1.652 57.388 55.803 -0.112 0.000 0.850 658 Q CB -0.177 28.564 28.738 0.005 0.000 0.901 658 Q HN 0.587 nan 8.270 nan 0.000 0.429 659 I N 0.199 120.623 120.570 -0.243 0.000 2.179 659 I HA -0.309 3.862 4.170 0.001 0.000 0.242 659 I C 1.930 177.832 176.117 -0.358 0.000 1.088 659 I CA 1.040 62.156 61.300 -0.307 0.000 1.357 659 I CB -0.226 37.578 38.000 -0.326 0.000 1.051 659 I HN 0.225 nan 8.210 nan 0.000 0.409 660 L N -0.069 120.880 121.223 -0.457 0.000 2.129 660 L HA -0.254 4.087 4.340 0.001 0.000 0.212 660 L C 2.550 179.014 176.870 -0.677 0.000 1.087 660 L CA 1.221 55.597 54.840 -0.774 0.000 0.757 660 L CB -0.637 40.565 42.059 -1.428 0.000 0.896 660 L HN 0.180 nan 8.230 nan 0.000 0.434 661 S N -0.376 115.102 115.700 -0.370 0.000 2.406 661 S HA -0.009 4.462 4.470 0.001 0.000 0.228 661 S C 1.919 176.400 174.600 -0.199 0.000 1.020 661 S CA 0.874 59.000 58.200 -0.123 0.000 0.965 661 S CB -0.116 63.070 63.200 -0.024 0.000 0.798 661 S HN 0.296 nan 8.310 nan 0.000 0.488 662 L N 1.561 122.604 121.223 -0.301 0.000 2.179 662 L HA -0.063 4.278 4.340 0.001 0.000 0.208 662 L C 2.895 179.603 176.870 -0.270 0.000 1.096 662 L CA 1.365 56.003 54.840 -0.336 0.000 0.779 662 L CB -1.223 40.566 42.059 -0.450 0.000 0.922 662 L HN 0.434 nan 8.230 nan 0.000 0.443 663 T N -1.190 113.211 114.554 -0.255 0.000 2.685 663 T HA -0.266 4.085 4.350 0.001 0.000 0.268 663 T C 1.819 176.408 174.700 -0.185 0.000 1.034 663 T CA 1.382 63.352 62.100 -0.216 0.000 1.149 663 T CB -0.780 67.958 68.868 -0.216 0.000 0.860 663 T HN 0.278 nan 8.240 nan 0.000 0.449 664 L N -0.318 120.808 121.223 -0.162 0.000 2.189 664 L HA -0.042 4.299 4.340 0.001 0.000 0.214 664 L C 2.675 179.394 176.870 -0.251 0.000 1.097 664 L CA 1.162 55.923 54.840 -0.132 0.000 0.764 664 L CB -0.824 41.194 42.059 -0.068 0.000 0.900 664 L HN 0.316 nan 8.230 nan 0.000 0.436 665 M N -0.418 119.015 119.600 -0.279 0.000 2.659 665 M HA -0.020 4.461 4.480 0.001 0.000 0.243 665 M C 1.094 177.281 176.300 -0.189 0.000 1.111 665 M CA 0.665 55.736 55.300 -0.381 0.000 1.070 665 M CB -0.885 31.656 32.600 -0.098 0.000 1.525 665 M HN 0.266 nan 8.290 nan 0.000 0.517 666 N N 0.186 118.798 118.700 -0.146 0.000 2.461 666 N HA -0.052 4.689 4.740 0.001 0.000 0.188 666 N C -0.473 175.107 175.510 0.117 0.000 1.134 666 N CA 0.159 53.201 53.050 -0.013 0.000 0.878 666 N CB -0.192 38.157 38.487 -0.229 0.000 0.972 666 N HN 0.328 nan 8.380 nan 0.000 0.456 667 Y N 0.247 120.588 120.300 0.069 0.000 3.001 667 Y HA -0.275 4.276 4.550 0.001 0.000 0.187 667 Y C -0.261 175.732 175.900 0.154 0.000 1.462 667 Y CA 0.365 58.536 58.100 0.119 0.000 0.936 667 Y CB -2.349 36.093 38.460 -0.030 0.000 1.337 667 Y HN 0.043 nan 8.280 nan 0.000 0.428 668 S N -2.879 112.970 115.700 0.249 0.000 2.645 668 S HA 0.176 4.647 4.470 0.001 0.000 0.168 668 S C 0.718 175.455 174.600 0.228 0.000 0.988 668 S CA -0.271 58.068 58.200 0.232 0.000 1.132 668 S CB 0.076 63.371 63.200 0.158 0.000 1.691 668 S HN 0.509 nan 8.310 nan 0.000 0.457 669 S N 0.613 116.474 115.700 0.268 0.000 2.440 669 S HA -0.104 4.367 4.470 0.001 0.000 0.238 669 S C 1.180 175.857 174.600 0.127 0.000 1.010 669 S CA 0.896 59.181 58.200 0.141 0.000 0.972 669 S CB -0.814 62.416 63.200 0.050 0.000 0.774 669 S HN 0.479 nan 8.310 nan 0.000 0.501 670 F N 1.738 121.720 119.950 0.054 0.000 2.325 670 F HA 0.212 4.740 4.527 0.001 0.000 0.299 670 F C 0.832 176.667 175.800 0.059 0.000 1.090 670 F CA 0.295 58.330 58.000 0.059 0.000 1.392 670 F CB -0.292 38.753 39.000 0.074 0.000 1.053 670 F HN 0.249 nan 8.300 nan 0.000 0.521 671 Q N -0.281 119.664 119.800 0.241 0.000 3.429 671 Q HA 0.282 4.623 4.340 0.001 0.000 0.237 671 Q C -2.694 173.370 176.000 0.107 0.000 0.932 671 Q CA -1.951 53.943 55.803 0.151 0.000 0.731 671 Q CB 0.493 29.322 28.738 0.152 0.000 1.383 671 Q HN -0.137 nan 8.270 nan 0.000 0.446 672 P HA -0.059 nan 4.420 nan 0.000 0.264 672 P C -0.312 176.982 177.300 -0.010 0.000 1.179 672 P CA 0.263 63.368 63.100 0.008 0.000 0.763 672 P CB 0.792 32.478 31.700 -0.022 0.000 0.806 673 I N 2.938 123.473 120.570 -0.058 0.000 2.532 673 I HA 0.089 4.260 4.170 0.001 0.000 0.292 673 I C 1.978 178.057 176.117 -0.063 0.000 1.014 673 I CA -0.172 61.081 61.300 -0.079 0.000 1.340 673 I CB 1.043 38.847 38.000 -0.327 0.000 1.422 673 I HN 0.415 nan 8.210 nan 0.000 0.528 674 K N 5.484 125.908 120.400 0.041 0.000 2.296 674 K HA 0.042 4.363 4.320 0.001 0.000 0.200 674 K C -0.109 176.497 176.600 0.010 0.000 1.048 674 K CA 0.765 57.094 56.287 0.071 0.000 0.966 674 K CB -0.001 32.645 32.500 0.244 0.000 0.754 674 K HN 0.373 nan 8.250 nan 0.000 0.466 675 L N 2.738 123.947 121.223 -0.024 0.000 2.343 675 L HA 0.403 4.744 4.340 0.001 0.000 0.275 675 L C -2.303 174.502 176.870 -0.110 0.000 1.056 675 L CA -2.714 52.104 54.840 -0.035 0.000 0.804 675 L CB 1.010 43.095 42.059 0.044 0.000 1.203 675 L HN 0.007 nan 8.230 nan 0.000 0.440 676 P HA 0.021 nan 4.420 nan 0.000 0.271 676 P C 0.226 177.452 177.300 -0.123 0.000 1.218 676 P CA -0.311 62.687 63.100 -0.171 0.000 0.780 676 P CB 1.029 32.610 31.700 -0.198 0.000 0.901 677 A N 3.080 125.795 122.820 -0.174 0.000 2.104 677 A HA -0.204 4.116 4.320 0.001 0.000 0.223 677 A C 1.765 179.341 177.584 -0.013 0.000 1.164 677 A CA 2.292 54.304 52.037 -0.042 0.000 0.659 677 A CB -1.804 17.134 19.000 -0.103 0.000 0.808 677 A HN 0.626 nan 8.150 nan 0.000 0.465 678 T N -2.236 112.191 114.554 -0.212 0.000 3.118 678 T HA 0.201 4.552 4.350 0.001 0.000 0.260 678 T C 1.078 175.804 174.700 0.045 0.000 1.139 678 T CA 1.201 63.239 62.100 -0.104 0.000 1.085 678 T CB 0.327 69.137 68.868 -0.095 0.000 0.934 678 T HN 0.223 nan 8.240 nan 0.000 0.518 679 V N -0.795 119.155 119.914 0.059 0.000 3.406 679 V HA 0.164 4.284 4.120 0.001 0.000 0.266 679 V C -0.042 176.099 176.094 0.077 0.000 1.697 679 V CA -0.408 61.925 62.300 0.054 0.000 1.046 679 V CB 0.182 32.036 31.823 0.052 0.000 0.879 679 V HN 0.414 nan 8.190 nan 0.000 0.399 680 H N 0.362 119.417 119.070 -0.025 0.000 3.125 680 H HA 0.060 4.617 4.556 0.001 0.000 0.310 680 H C 0.679 175.949 175.328 -0.097 0.000 0.980 680 H CA 1.227 57.230 56.048 -0.075 0.000 1.422 680 H CB -0.423 29.314 29.762 -0.043 0.000 1.432 680 H HN 0.385 nan 8.280 nan 0.000 0.577 681 Y N 0.999 121.051 120.300 -0.413 0.000 4.755 681 Y HA -0.424 4.127 4.550 0.001 0.000 0.219 681 Y C 2.256 178.017 175.900 -0.231 0.000 1.022 681 Y CA 0.571 58.467 58.100 -0.340 0.000 1.913 681 Y CB -1.682 36.537 38.460 -0.402 0.000 1.614 681 Y HN 0.711 nan 8.280 nan 0.000 0.585 682 S N -0.902 114.807 115.700 0.016 0.000 2.447 682 S HA -0.172 4.299 4.470 0.001 0.000 0.233 682 S C 1.290 175.961 174.600 0.119 0.000 1.006 682 S CA 1.431 59.725 58.200 0.158 0.000 0.957 682 S CB -0.049 63.255 63.200 0.174 0.000 0.773 682 S HN 0.614 nan 8.310 nan 0.000 0.507 683 D N 1.382 121.831 120.400 0.082 0.000 2.120 683 D HA 0.021 4.662 4.640 0.001 0.000 0.202 683 D C 2.095 178.415 176.300 0.032 0.000 0.972 683 D CA 0.974 55.015 54.000 0.068 0.000 0.837 683 D CB -0.027 40.818 40.800 0.075 0.000 0.989 683 D HN 0.296 nan 8.370 nan 0.000 0.469 684 K N 0.056 120.469 120.400 0.022 0.000 2.089 684 K HA -0.195 4.126 4.320 0.001 0.000 0.210 684 K C 2.186 178.734 176.600 -0.086 0.000 1.048 684 K CA 1.056 57.318 56.287 -0.042 0.000 0.926 684 K CB -0.235 32.190 32.500 -0.126 0.000 0.714 684 K HN 0.326 nan 8.250 nan 0.000 0.448 685 I N 0.667 121.159 120.570 -0.130 0.000 2.233 685 I HA -0.230 3.941 4.170 0.001 0.000 0.243 685 I C 2.281 178.320 176.117 -0.130 0.000 1.093 685 I CA 1.225 62.395 61.300 -0.218 0.000 1.380 685 I CB -0.356 37.340 38.000 -0.506 0.000 1.067 685 I HN 0.171 nan 8.210 nan 0.000 0.413 686 T N 0.811 115.336 114.554 -0.048 0.000 2.652 686 T HA -0.213 4.138 4.350 0.001 0.000 0.267 686 T C 1.878 176.585 174.700 0.012 0.000 1.039 686 T CA 1.334 63.446 62.100 0.020 0.000 1.153 686 T CB -0.258 68.655 68.868 0.074 0.000 0.863 686 T HN 0.264 nan 8.240 nan 0.000 0.428 687 K N 0.589 120.996 120.400 0.011 0.000 2.015 687 K HA -0.059 4.262 4.320 0.001 0.000 0.216 687 K C 2.244 178.841 176.600 -0.004 0.000 1.052 687 K CA 1.173 57.467 56.287 0.011 0.000 0.937 687 K CB -0.388 32.120 32.500 0.015 0.000 0.719 687 K HN 0.199 nan 8.250 nan 0.000 0.446 688 L N 0.144 121.350 121.223 -0.027 0.000 2.240 688 L HA -0.054 4.287 4.340 0.001 0.000 0.211 688 L C 2.217 179.064 176.870 -0.038 0.000 1.106 688 L CA 0.892 55.710 54.840 -0.035 0.000 0.793 688 L CB -0.247 41.775 42.059 -0.062 0.000 0.927 688 L HN 0.278 nan 8.230 nan 0.000 0.446 689 M N -0.970 118.604 119.600 -0.043 0.000 2.388 689 M HA -0.097 4.383 4.480 0.001 0.000 0.265 689 M C 1.875 178.167 176.300 -0.014 0.000 1.088 689 M CA 0.996 56.274 55.300 -0.037 0.000 1.134 689 M CB -0.420 32.151 32.600 -0.047 0.000 1.384 689 M HN 0.034 nan 8.290 nan 0.000 0.447 690 L N 0.186 121.407 121.223 -0.003 0.000 2.012 690 L HA -0.198 4.143 4.340 0.001 0.000 0.210 690 L C 2.277 179.149 176.870 0.003 0.000 1.073 690 L CA 1.967 56.811 54.840 0.007 0.000 0.748 690 L CB -0.581 41.487 42.059 0.015 0.000 0.891 690 L HN 0.244 nan 8.230 nan 0.000 0.431 691 R N -0.298 120.203 120.500 0.002 0.000 2.152 691 R HA -0.027 4.314 4.340 0.001 0.000 0.232 691 R C 1.094 177.392 176.300 -0.002 0.000 1.117 691 R CA 0.550 56.652 56.100 0.004 0.000 0.981 691 R CB -0.863 29.442 30.300 0.009 0.000 0.870 691 R HN 0.517 nan 8.270 nan 0.000 0.451 692 G N 0.670 109.463 108.800 -0.011 0.000 2.568 692 G HA2 -0.077 3.884 3.960 0.001 0.000 0.231 692 G HA3 -0.077 3.884 3.960 0.001 0.000 0.231 692 G C 0.905 175.797 174.900 -0.013 0.000 1.261 692 G CA -0.309 44.781 45.100 -0.016 0.000 0.855 692 G HN 0.071 nan 8.290 nan 0.000 0.576 693 I N 0.444 121.006 120.570 -0.014 0.000 2.162 693 I HA -0.016 4.155 4.170 0.001 0.000 0.238 693 I C 1.522 177.630 176.117 -0.015 0.000 1.076 693 I CA 1.011 62.304 61.300 -0.012 0.000 1.353 693 I CB -0.196 37.798 38.000 -0.010 0.000 1.063 693 I HN 0.523 nan 8.210 nan 0.000 0.408 694 E N 1.879 122.068 120.200 -0.019 0.000 2.374 694 E HA 0.135 4.486 4.350 0.001 0.000 0.260 694 E C -2.172 174.411 176.600 -0.028 0.000 1.101 694 E CA -1.825 54.562 56.400 -0.022 0.000 0.907 694 E CB -0.025 29.662 29.700 -0.022 0.000 1.014 694 E HN 0.100 nan 8.360 nan 0.000 0.427 695 P HA 0.036 nan 4.420 nan 0.000 0.265 695 P C -0.794 176.478 177.300 -0.045 0.000 1.222 695 P CA 0.645 63.713 63.100 -0.054 0.000 0.767 695 P CB 0.179 31.837 31.700 -0.071 0.000 0.801 696 I N 4.359 124.906 120.570 -0.038 0.000 2.392 696 I HA 0.315 4.486 4.170 0.001 0.000 0.295 696 I C 0.734 176.846 176.117 -0.008 0.000 0.985 696 I CA -0.332 60.959 61.300 -0.015 0.000 1.221 696 I CB 1.390 39.390 38.000 -0.001 0.000 1.366 696 I HN 0.112 nan 8.210 nan 0.000 0.467 697 K N 6.890 127.296 120.400 0.009 0.000 2.690 697 K HA 0.485 4.806 4.320 0.001 0.000 0.243 697 K C -1.290 175.348 176.600 0.062 0.000 0.982 697 K CA -0.772 55.536 56.287 0.034 0.000 0.955 697 K CB 1.698 34.199 32.500 0.002 0.000 1.185 697 K HN 0.457 nan 8.250 nan 0.000 0.467 698 K N 1.563 122.032 120.400 0.114 0.000 2.466 698 K HA 0.490 4.811 4.320 0.001 0.000 0.260 698 K C -1.242 175.408 176.600 0.084 0.000 1.011 698 K CA -0.996 55.349 56.287 0.098 0.000 0.871 698 K CB 2.875 35.432 32.500 0.094 0.000 1.404 698 K HN 0.542 nan 8.250 nan 0.000 0.450 699 E N -0.184 119.964 120.200 -0.088 0.000 2.478 699 E HA 0.488 4.839 4.350 0.001 0.000 0.293 699 E C -1.505 174.732 176.600 -0.606 0.000 1.011 699 E CA -0.617 55.492 56.400 -0.485 0.000 0.834 699 E CB 1.649 31.165 29.700 -0.308 0.000 1.226 699 E HN 0.772 nan 8.360 nan 0.000 0.419 700 G N 1.850 109.962 108.800 -1.147 0.000 2.489 700 G HA2 0.380 4.341 3.960 0.001 0.000 0.305 700 G HA3 0.380 4.341 3.960 0.001 0.000 0.305 700 G C -1.479 173.190 174.900 -0.386 0.000 1.311 700 G CA -0.077 44.703 45.100 -0.532 0.000 0.813 700 G HN 0.560 nan 8.290 nan 0.000 0.480 701 D N -0.874 119.523 120.400 -0.005 0.000 2.895 701 D HA 0.339 4.980 4.640 0.001 0.000 0.350 701 D C -0.447 175.934 176.300 0.136 0.000 1.389 701 D CA -0.087 53.951 54.000 0.063 0.000 0.812 701 D CB 0.087 40.874 40.800 -0.022 0.000 1.164 701 D HN 0.306 nan 8.370 nan 0.000 0.455 702 I N 0.443 121.191 120.570 0.298 0.000 2.478 702 I HA 0.253 4.424 4.170 0.001 0.000 0.287 702 I C 0.483 176.609 176.117 0.015 0.000 1.042 702 I CA -0.653 60.728 61.300 0.134 0.000 1.067 702 I CB 2.186 40.274 38.000 0.147 0.000 1.233 702 I HN -0.180 nan 8.210 nan 0.000 0.431 703 M N 6.580 125.980 119.600 -0.333 0.000 3.705 703 M HA 0.019 4.500 4.480 0.001 0.000 0.191 703 M C 0.836 176.551 176.300 -0.975 0.000 1.570 703 M CA 0.200 54.828 55.300 -1.120 0.000 1.714 703 M CB -0.624 31.407 32.600 -0.948 0.000 1.148 703 M HN 0.681 nan 8.290 nan 0.000 0.547 704 Y N -0.755 119.241 120.300 -0.508 0.000 2.403 704 Y HA -0.158 4.392 4.550 0.001 0.000 0.291 704 Y C 1.637 177.458 175.900 -0.132 0.000 1.143 704 Y CA 0.798 58.772 58.100 -0.209 0.000 1.257 704 Y CB -0.856 37.575 38.460 -0.047 0.000 0.984 704 Y HN 0.659 nan 8.280 nan 0.000 0.550 705 W N 0.889 121.780 121.300 -0.681 0.000 2.770 705 W HA 0.259 4.920 4.660 0.001 0.000 0.256 705 W C 0.392 176.916 176.519 0.008 0.000 1.291 705 W CA -0.763 56.292 57.345 -0.483 0.000 1.396 705 W CB -0.790 28.324 29.460 -0.576 0.000 1.114 705 W HN -0.133 nan 8.180 nan 0.000 0.637 706 L N 0.000 121.035 121.223 -0.314 0.000 2.949 706 L HA 0.000 4.341 4.340 0.001 0.000 0.249 706 L CA 0.000 54.862 54.840 0.036 0.000 0.813 706 L CB 0.000 41.999 42.059 -0.100 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502