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 2b2o_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.474 175.510 -0.060 0.000 1.280 35 N CA 0.000 53.021 53.050 -0.049 0.000 0.885 35 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 36 G N 0.683 109.454 108.800 -0.047 0.000 2.398 36 G HA2 0.464 4.427 3.960 0.004 0.000 0.246 36 G HA3 0.464 4.427 3.960 0.004 0.000 0.246 36 G C 0.214 175.060 174.900 -0.089 0.000 1.289 36 G CA 0.998 46.071 45.100 -0.044 0.000 0.869 36 G HN 0.924 nan 8.290 nan 0.000 0.543 37 T N 1.200 115.680 114.554 -0.124 0.000 2.901 37 T HA 0.429 4.782 4.350 0.004 0.000 0.301 37 T C 0.883 175.465 174.700 -0.196 0.000 1.012 37 T CA -0.004 61.921 62.100 -0.292 0.000 1.135 37 T CB 1.012 69.577 68.868 -0.505 0.000 0.936 37 T HN 0.819 nan 8.240 nan 0.000 0.539 38 S N 2.270 117.812 115.700 -0.263 0.000 2.726 38 S HA 0.405 4.878 4.470 0.004 0.000 0.308 38 S C 1.013 175.594 174.600 -0.031 0.000 1.115 38 S CA -0.990 57.167 58.200 -0.072 0.000 0.965 38 S CB 1.116 64.292 63.200 -0.040 0.000 1.145 38 S HN 0.467 nan 8.310 nan 0.000 0.532 39 N N 0.726 119.547 118.700 0.201 0.000 2.205 39 N HA -0.083 4.660 4.740 0.004 0.000 0.186 39 N C 1.596 177.280 175.510 0.290 0.000 1.015 39 N CA 1.048 54.349 53.050 0.418 0.000 0.862 39 N CB -0.626 38.125 38.487 0.440 0.000 0.986 39 N HN 0.625 nan 8.380 nan 0.000 0.429 40 R N 0.993 121.567 120.500 0.124 0.000 2.092 40 R HA -0.032 4.310 4.340 0.004 0.000 0.231 40 R C 1.198 177.475 176.300 -0.039 0.000 1.119 40 R CA 1.153 57.295 56.100 0.071 0.000 0.970 40 R CB -0.095 30.225 30.300 0.033 0.000 0.864 40 R HN 0.181 nan 8.270 nan 0.000 0.440 41 D N -1.027 119.261 120.400 -0.187 0.000 2.084 41 D HA -0.188 4.454 4.640 0.004 0.000 0.194 41 D C 1.742 177.799 176.300 -0.405 0.000 0.990 41 D CA 1.317 55.103 54.000 -0.356 0.000 0.826 41 D CB -0.428 40.022 40.800 -0.583 0.000 0.971 41 D HN 0.332 nan 8.370 nan 0.000 0.453 42 W N -0.173 120.869 121.300 -0.429 0.000 2.381 42 W HA -0.072 4.591 4.660 0.004 0.000 0.301 42 W C 0.760 176.702 176.519 -0.962 0.000 1.205 42 W CA 0.113 56.905 57.345 -0.922 0.000 1.285 42 W CB 0.030 28.400 29.460 -1.817 0.000 1.133 42 W HN -0.031 nan 8.180 nan 0.000 0.521 43 W N 0.930 122.358 121.300 0.212 0.000 2.104 43 W HA 0.232 4.895 4.660 0.004 0.000 0.291 43 W C -1.992 174.569 176.519 0.070 0.000 0.936 43 W CA -1.741 55.675 57.345 0.119 0.000 1.856 43 W CB -0.252 29.266 29.460 0.096 0.000 2.036 43 W HN -0.169 nan 8.180 nan 0.000 0.393 44 P HA -0.099 nan 4.420 nan 0.000 0.229 44 P C 0.723 178.083 177.300 0.099 0.000 1.160 44 P CA 1.215 64.370 63.100 0.092 0.000 0.777 44 P CB 0.472 32.191 31.700 0.031 0.000 0.814 45 N N -0.381 118.392 118.700 0.123 0.000 2.268 45 N HA 0.042 4.785 4.740 0.004 0.000 0.204 45 N C 0.730 176.300 175.510 0.101 0.000 1.124 45 N CA 0.113 53.219 53.050 0.093 0.000 0.838 45 N CB 0.005 38.540 38.487 0.080 0.000 0.994 45 N HN 0.263 nan 8.380 nan 0.000 0.489 46 Q N 0.734 120.620 119.800 0.142 0.000 2.368 46 Q HA 0.232 4.574 4.340 0.004 0.000 0.237 46 Q C -0.536 175.533 176.000 0.116 0.000 0.987 46 Q CA -0.498 55.385 55.803 0.133 0.000 0.896 46 Q CB 0.687 29.523 28.738 0.164 0.000 1.241 46 Q HN 0.100 nan 8.270 nan 0.000 0.485 47 L N 2.837 124.140 121.223 0.133 0.000 2.410 47 L HA 0.170 4.512 4.340 0.004 0.000 0.273 47 L C -0.830 176.092 176.870 0.086 0.000 1.144 47 L CA 0.590 55.464 54.840 0.057 0.000 0.863 47 L CB 0.608 42.639 42.059 -0.046 0.000 1.140 47 L HN 0.625 nan 8.230 nan 0.000 0.463 48 D N 4.436 124.851 120.400 0.025 0.000 2.456 48 D HA 0.150 4.792 4.640 0.004 0.000 0.219 48 D C 0.858 177.144 176.300 -0.024 0.000 1.126 48 D CA 0.011 54.031 54.000 0.034 0.000 0.890 48 D CB 0.468 41.286 40.800 0.029 0.000 1.025 48 D HN 0.602 nan 8.370 nan 0.000 0.511 49 L N 2.376 123.588 121.223 -0.018 0.000 2.478 49 L HA -0.061 4.282 4.340 0.004 0.000 0.223 49 L C 2.254 179.068 176.870 -0.093 0.000 1.140 49 L CA 0.419 55.212 54.840 -0.077 0.000 0.842 49 L CB -0.290 41.759 42.059 -0.016 0.000 0.953 49 L HN 0.372 nan 8.230 nan 0.000 0.452 50 S N 0.811 116.516 115.700 0.009 0.000 2.442 50 S HA -0.203 4.269 4.470 0.004 0.000 0.236 50 S C 1.923 176.491 174.600 -0.053 0.000 1.007 50 S CA 1.095 59.317 58.200 0.036 0.000 0.965 50 S CB -0.750 62.485 63.200 0.059 0.000 0.773 50 S HN 0.628 nan 8.310 nan 0.000 0.504 51 I N -0.899 119.624 120.570 -0.079 0.000 2.567 51 I HA -0.014 4.158 4.170 0.004 0.000 0.257 51 I C 1.875 177.926 176.117 -0.109 0.000 1.184 51 I CA 1.251 62.507 61.300 -0.073 0.000 1.451 51 I CB -0.439 37.531 38.000 -0.050 0.000 1.089 51 I HN 0.228 nan 8.210 nan 0.000 0.441 52 L N 0.219 121.285 121.223 -0.261 0.000 2.492 52 L HA 0.027 4.370 4.340 0.004 0.000 0.223 52 L C 1.137 177.812 176.870 -0.324 0.000 1.132 52 L CA 0.757 55.399 54.840 -0.331 0.000 0.850 52 L CB -0.657 41.125 42.059 -0.461 0.000 0.966 52 L HN 0.408 nan 8.230 nan 0.000 0.454 53 H N -1.991 117.103 119.070 0.039 0.000 2.662 53 H HA 0.221 4.779 4.556 0.004 0.000 0.268 53 H C 0.373 175.701 175.328 -0.000 0.000 1.152 53 H CA -0.637 55.431 56.048 0.033 0.000 1.072 53 H CB 0.621 30.401 29.762 0.030 0.000 1.660 53 H HN -0.003 nan 8.280 nan 0.000 0.584 54 R N 0.950 121.464 120.500 0.023 0.000 2.615 54 R HA 0.065 4.407 4.340 0.004 0.000 0.270 54 R C 0.051 176.294 176.300 -0.095 0.000 1.081 54 R CA 0.063 56.065 56.100 -0.164 0.000 1.154 54 R CB 0.077 30.191 30.300 -0.310 0.000 1.063 54 R HN 0.404 nan 8.270 nan 0.000 0.519 55 H N -1.057 118.052 119.070 0.064 0.000 2.862 55 H HA -0.178 4.380 4.556 0.004 0.000 0.290 55 H C -0.256 175.136 175.328 0.106 0.000 1.211 55 H CA 0.756 56.859 56.048 0.092 0.000 1.140 55 H CB -2.246 27.566 29.762 0.083 0.000 1.341 55 H HN 0.638 nan 8.280 nan 0.000 0.392 56 S N -0.171 115.609 115.700 0.133 0.000 2.617 56 S HA 0.230 4.702 4.470 0.004 0.000 0.259 56 S C 1.786 176.450 174.600 0.108 0.000 1.301 56 S CA -0.025 58.244 58.200 0.115 0.000 0.984 56 S CB 1.607 64.853 63.200 0.077 0.000 0.954 56 S HN 0.429 nan 8.310 nan 0.000 0.572 57 S N 0.639 116.389 115.700 0.084 0.000 2.474 57 S HA -0.042 4.430 4.470 0.004 0.000 0.235 57 S C 1.743 176.363 174.600 0.033 0.000 0.997 57 S CA 0.686 58.925 58.200 0.066 0.000 0.949 57 S CB -0.987 62.247 63.200 0.056 0.000 0.766 57 S HN 0.650 nan 8.310 nan 0.000 0.517 58 L N 2.170 123.410 121.223 0.028 0.000 2.046 58 L HA -0.088 4.255 4.340 0.004 0.000 0.208 58 L C 2.997 179.863 176.870 -0.006 0.000 1.077 58 L CA 1.597 56.441 54.840 0.007 0.000 0.747 58 L CB -0.898 41.165 42.059 0.007 0.000 0.896 58 L HN 0.575 nan 8.230 nan 0.000 0.432 59 S N -2.251 113.457 115.700 0.014 0.000 2.527 59 S HA -0.052 4.421 4.470 0.004 0.000 0.222 59 S C 0.693 175.281 174.600 -0.020 0.000 0.985 59 S CA -0.177 58.032 58.200 0.014 0.000 0.921 59 S CB -0.297 62.928 63.200 0.041 0.000 0.772 59 S HN 0.286 nan 8.310 nan 0.000 0.529 60 D N 3.170 123.542 120.400 -0.047 0.000 2.295 60 D HA 0.278 4.921 4.640 0.004 0.000 0.248 60 D C -1.422 174.660 176.300 -0.364 0.000 1.154 60 D CA -2.188 51.680 54.000 -0.219 0.000 0.857 60 D CB 1.697 42.499 40.800 0.004 0.000 1.117 60 D HN 0.083 nan 8.370 nan 0.000 0.468 61 P HA 0.023 nan 4.420 nan 0.000 0.236 61 P C 0.283 177.348 177.300 -0.391 0.000 1.177 61 P CA 0.152 62.950 63.100 -0.502 0.000 0.773 61 P CB 0.259 31.568 31.700 -0.652 0.000 0.878 62 M N 0.200 119.564 119.600 -0.393 0.000 2.291 62 M HA 0.373 4.855 4.480 0.004 0.000 0.324 62 M C 1.217 177.476 176.300 -0.068 0.000 1.148 62 M CA -1.044 54.103 55.300 -0.256 0.000 1.104 62 M CB -0.105 32.333 32.600 -0.269 0.000 1.483 62 M HN -0.190 nan 8.290 nan 0.000 0.467 63 G N 1.119 109.920 108.800 0.001 0.000 2.614 63 G HA2 0.090 4.052 3.960 0.004 0.000 0.239 63 G HA3 0.090 4.052 3.960 0.004 0.000 0.239 63 G C 0.697 175.674 174.900 0.130 0.000 1.240 63 G CA -0.369 44.770 45.100 0.066 0.000 0.842 63 G HN 0.828 nan 8.290 nan 0.000 0.584 64 K N -0.397 120.061 120.400 0.096 0.000 2.147 64 K HA -0.076 4.246 4.320 0.004 0.000 0.205 64 K C 1.186 177.860 176.600 0.124 0.000 1.049 64 K CA 1.496 57.844 56.287 0.103 0.000 0.936 64 K CB 0.171 32.713 32.500 0.069 0.000 0.722 64 K HN 0.382 nan 8.250 nan 0.000 0.446 65 D N -0.497 119.979 120.400 0.127 0.000 2.328 65 D HA -0.025 4.617 4.640 0.004 0.000 0.221 65 D C -0.281 176.117 176.300 0.164 0.000 1.072 65 D CA -0.038 54.033 54.000 0.117 0.000 0.850 65 D CB -0.113 40.739 40.800 0.087 0.000 0.922 65 D HN 0.028 nan 8.370 nan 0.000 0.516 66 F N 2.245 122.244 119.950 0.082 0.000 2.578 66 F HA 0.125 4.654 4.527 0.004 0.000 0.381 66 F C 0.430 176.310 175.800 0.134 0.000 1.069 66 F CA -0.270 57.797 58.000 0.110 0.000 1.231 66 F CB 0.361 39.440 39.000 0.131 0.000 1.086 66 F HN -0.251 nan 8.300 nan 0.000 0.564 67 N N 6.189 124.529 118.700 -0.599 0.000 2.518 67 N HA 0.002 4.745 4.740 0.004 0.000 0.254 67 N C 0.295 175.342 175.510 -0.771 0.000 0.979 67 N CA -0.374 52.376 53.050 -0.499 0.000 0.930 67 N CB 0.448 38.811 38.487 -0.207 0.000 1.152 67 N HN 0.823 nan 8.380 nan 0.000 0.505 68 Y N 4.578 124.405 120.300 -0.788 0.000 2.181 68 Y HA -0.093 4.460 4.550 0.004 0.000 0.288 68 Y C 2.005 177.832 175.900 -0.120 0.000 1.146 68 Y CA 2.219 60.050 58.100 -0.448 0.000 1.164 68 Y CB -0.148 38.291 38.460 -0.036 0.000 0.982 68 Y HN 0.637 nan 8.280 nan 0.000 0.515 69 A N 0.317 122.986 122.820 -0.252 0.000 1.917 69 A HA -0.296 4.026 4.320 0.004 0.000 0.219 69 A C 2.132 179.618 177.584 -0.163 0.000 1.182 69 A CA 2.156 54.065 52.037 -0.214 0.000 0.633 69 A CB -0.810 18.145 19.000 -0.075 0.000 0.819 69 A HN 0.682 nan 8.150 nan 0.000 0.448 70 Q N -0.835 118.873 119.800 -0.154 0.000 2.124 70 Q HA -0.075 4.268 4.340 0.004 0.000 0.202 70 Q C 2.443 178.392 176.000 -0.084 0.000 0.977 70 Q CA 1.314 57.059 55.803 -0.097 0.000 0.850 70 Q CB -0.381 28.309 28.738 -0.080 0.000 0.901 70 Q HN 0.704 nan 8.270 nan 0.000 0.429 71 A N 0.526 123.279 122.820 -0.112 0.000 1.877 71 A HA -0.194 4.129 4.320 0.004 0.000 0.216 71 A C 1.864 179.418 177.584 -0.050 0.000 1.186 71 A CA 1.154 53.193 52.037 0.003 0.000 0.620 71 A CB -0.806 18.319 19.000 0.208 0.000 0.822 71 A HN 0.457 nan 8.150 nan 0.000 0.443 72 F N 0.820 120.545 119.950 -0.375 0.000 2.171 72 F HA -0.122 4.408 4.527 0.004 0.000 0.300 72 F C 2.181 177.887 175.800 -0.157 0.000 1.090 72 F CA 1.899 59.704 58.000 -0.326 0.000 1.293 72 F CB 0.009 38.657 39.000 -0.586 0.000 1.013 72 F HN 0.209 nan 8.300 nan 0.000 0.486 73 E N 0.458 120.613 120.200 -0.075 0.000 2.265 73 E HA -0.171 4.182 4.350 0.004 0.000 0.196 73 E C 1.795 178.303 176.600 -0.153 0.000 0.996 73 E CA 0.911 57.254 56.400 -0.094 0.000 0.832 73 E CB -0.193 29.503 29.700 -0.007 0.000 0.756 73 E HN 0.524 nan 8.360 nan 0.000 0.491 74 K N 0.251 120.568 120.400 -0.139 0.000 2.393 74 K HA 0.050 4.372 4.320 0.004 0.000 0.193 74 K C 0.659 177.180 176.600 -0.132 0.000 1.026 74 K CA -0.337 55.888 56.287 -0.104 0.000 1.064 74 K CB 0.210 32.684 32.500 -0.044 0.000 0.833 74 K HN -0.043 nan 8.250 nan 0.000 0.521 75 L N 2.464 123.543 121.223 -0.240 0.000 2.499 75 L HA -0.031 4.311 4.340 0.004 0.000 0.273 75 L C -0.012 176.716 176.870 -0.236 0.000 1.195 75 L CA 0.458 55.147 54.840 -0.251 0.000 0.882 75 L CB 0.387 42.166 42.059 -0.467 0.000 1.133 75 L HN -0.017 nan 8.230 nan 0.000 0.483 76 D N 4.211 124.530 120.400 -0.136 0.000 2.455 76 D HA -0.023 4.620 4.640 0.004 0.000 0.234 76 D C 0.963 177.146 176.300 -0.195 0.000 1.224 76 D CA -0.058 53.872 54.000 -0.116 0.000 0.999 76 D CB 0.347 41.137 40.800 -0.017 0.000 1.072 76 D HN 0.621 nan 8.370 nan 0.000 0.514 77 L N 4.414 125.507 121.223 -0.216 0.000 2.083 77 L HA -0.051 4.292 4.340 0.004 0.000 0.209 77 L C 2.097 178.872 176.870 -0.159 0.000 1.083 77 L CA 1.972 56.682 54.840 -0.216 0.000 0.752 77 L CB -0.588 41.382 42.059 -0.149 0.000 0.899 77 L HN 0.388 nan 8.230 nan 0.000 0.433 78 A N -0.411 122.347 122.820 -0.104 0.000 1.908 78 A HA -0.165 4.157 4.320 0.004 0.000 0.218 78 A C 2.469 180.019 177.584 -0.056 0.000 1.181 78 A CA 1.953 53.952 52.037 -0.063 0.000 0.627 78 A CB -1.190 17.785 19.000 -0.042 0.000 0.818 78 A HN 0.566 nan 8.150 nan 0.000 0.445 79 A N -0.570 122.216 122.820 -0.057 0.000 1.902 79 A HA -0.003 4.320 4.320 0.004 0.000 0.217 79 A C 2.232 179.793 177.584 -0.040 0.000 1.181 79 A CA 1.829 53.868 52.037 0.004 0.000 0.623 79 A CB -0.965 18.093 19.000 0.096 0.000 0.818 79 A HN 0.431 nan 8.150 nan 0.000 0.443 80 V N 0.259 119.995 119.914 -0.296 0.000 2.295 80 V HA -0.296 3.826 4.120 0.004 0.000 0.246 80 V C 2.420 178.409 176.094 -0.176 0.000 1.049 80 V CA 2.394 64.426 62.300 -0.446 0.000 1.024 80 V CB -0.750 30.686 31.823 -0.645 0.000 0.648 80 V HN 0.546 nan 8.190 nan 0.000 0.447 81 K N -0.240 120.082 120.400 -0.129 0.000 2.097 81 K HA -0.136 4.187 4.320 0.004 0.000 0.206 81 K C 2.402 179.062 176.600 0.101 0.000 1.049 81 K CA 1.239 57.503 56.287 -0.039 0.000 0.933 81 K CB -0.241 32.251 32.500 -0.014 0.000 0.717 81 K HN 0.408 nan 8.250 nan 0.000 0.442 82 R N 0.923 121.468 120.500 0.076 0.000 2.073 82 R HA -0.129 4.213 4.340 0.004 0.000 0.234 82 R C 1.784 178.145 176.300 0.101 0.000 1.134 82 R CA 1.570 57.727 56.100 0.095 0.000 0.952 82 R CB -0.251 30.075 30.300 0.042 0.000 0.850 82 R HN 0.210 nan 8.270 nan 0.000 0.433 83 D N 0.758 121.204 120.400 0.076 0.000 2.144 83 D HA -0.130 4.512 4.640 0.004 0.000 0.199 83 D C 1.995 178.323 176.300 0.046 0.000 0.984 83 D CA 1.014 55.061 54.000 0.077 0.000 0.834 83 D CB -0.133 40.745 40.800 0.130 0.000 0.955 83 D HN 0.180 nan 8.370 nan 0.000 0.465 84 L N 0.204 121.424 121.223 -0.005 0.000 2.056 84 L HA -0.161 4.181 4.340 0.004 0.000 0.207 84 L C 2.531 179.369 176.870 -0.053 0.000 1.078 84 L CA 0.971 55.761 54.840 -0.083 0.000 0.749 84 L CB -0.446 41.503 42.059 -0.184 0.000 0.901 84 L HN 0.179 nan 8.230 nan 0.000 0.433 85 H N -0.146 118.916 119.070 -0.014 0.000 2.319 85 H HA -0.176 4.383 4.556 0.004 0.000 0.299 85 H C 2.264 177.600 175.328 0.012 0.000 1.092 85 H CA 1.729 57.782 56.048 0.009 0.000 1.302 85 H CB -0.011 29.756 29.762 0.008 0.000 1.373 85 H HN 0.380 nan 8.280 nan 0.000 0.497 86 A N 1.076 123.979 122.820 0.138 0.000 1.908 86 A HA -0.156 4.166 4.320 0.004 0.000 0.218 86 A C 2.527 180.161 177.584 0.084 0.000 1.181 86 A CA 1.461 53.552 52.037 0.089 0.000 0.627 86 A CB -0.819 18.225 19.000 0.074 0.000 0.818 86 A HN 0.320 nan 8.150 nan 0.000 0.445 87 L N -0.766 120.515 121.223 0.097 0.000 2.083 87 L HA -0.168 4.174 4.340 0.004 0.000 0.209 87 L C 2.285 179.299 176.870 0.240 0.000 1.083 87 L CA 1.870 56.804 54.840 0.158 0.000 0.752 87 L CB -0.500 41.639 42.059 0.134 0.000 0.899 87 L HN 0.314 nan 8.230 nan 0.000 0.433 88 M N -0.474 119.212 119.600 0.144 0.000 2.108 88 M HA -0.176 4.306 4.480 0.004 0.000 0.257 88 M C 1.793 178.013 176.300 -0.134 0.000 1.071 88 M CA 2.231 57.556 55.300 0.042 0.000 1.093 88 M CB -1.887 30.563 32.600 -0.251 0.000 1.345 88 M HN 0.614 nan 8.290 nan 0.000 0.403 89 T N -4.210 110.273 114.554 -0.118 0.000 3.129 89 T HA 0.161 4.513 4.350 0.004 0.000 0.267 89 T C 0.344 175.015 174.700 -0.048 0.000 1.018 89 T CA -0.260 61.757 62.100 -0.137 0.000 0.903 89 T CB -0.403 68.403 68.868 -0.103 0.000 1.067 89 T HN 0.113 nan 8.240 nan 0.000 0.549 90 T N 2.654 117.239 114.554 0.051 0.000 3.151 90 T HA 0.410 4.762 4.350 0.004 0.000 0.332 90 T C 0.123 174.908 174.700 0.142 0.000 1.245 90 T CA -0.303 61.848 62.100 0.085 0.000 1.019 90 T CB 0.574 69.510 68.868 0.114 0.000 1.109 90 T HN 0.335 nan 8.240 nan 0.000 0.621 91 S N 3.598 119.297 115.700 -0.001 0.000 2.531 91 S HA 0.146 4.619 4.470 0.004 0.000 0.279 91 S C 0.099 174.709 174.600 0.017 0.000 1.305 91 S CA -0.607 57.565 58.200 -0.046 0.000 1.058 91 S CB 0.285 63.389 63.200 -0.161 0.000 0.899 91 S HN 0.442 nan 8.310 nan 0.000 0.493 92 Q N 3.179 122.972 119.800 -0.013 0.000 2.241 92 Q HA 0.239 4.581 4.340 0.004 0.000 0.254 92 Q C 0.267 176.088 176.000 -0.300 0.000 0.917 92 Q CA -0.592 55.055 55.803 -0.260 0.000 0.919 92 Q CB 1.429 29.707 28.738 -0.767 0.000 1.237 92 Q HN 0.679 nan 8.270 nan 0.000 0.434 93 D N 1.592 121.905 120.400 -0.146 0.000 2.219 93 D HA -0.130 4.512 4.640 0.004 0.000 0.205 93 D C 1.635 177.960 176.300 0.042 0.000 0.970 93 D CA 0.858 54.840 54.000 -0.030 0.000 0.851 93 D CB 0.102 40.937 40.800 0.058 0.000 0.943 93 D HN 0.697 nan 8.370 nan 0.000 0.488 94 W N -1.381 120.013 121.300 0.156 0.000 2.595 94 W HA 0.009 4.671 4.660 0.004 0.000 0.257 94 W C 0.354 177.086 176.519 0.354 0.000 1.267 94 W CA -0.117 57.346 57.345 0.197 0.000 1.300 94 W CB -0.500 29.062 29.460 0.170 0.000 1.120 94 W HN -0.029 nan 8.180 nan 0.000 0.618 95 W N 3.176 124.312 121.300 -0.274 0.000 1.982 95 W HA 0.254 4.916 4.660 0.004 0.000 0.299 95 W C -2.898 173.574 176.519 -0.079 0.000 1.011 95 W CA -1.915 55.353 57.345 -0.130 0.000 1.324 95 W CB 0.655 30.050 29.460 -0.108 0.000 1.372 95 W HN -0.369 nan 8.180 nan 0.000 0.323 96 P HA 0.028 nan 4.420 nan 0.000 0.266 96 P C -0.064 177.189 177.300 -0.077 0.000 1.195 96 P CA 0.607 63.637 63.100 -0.116 0.000 0.768 96 P CB 0.818 32.461 31.700 -0.095 0.000 0.838 97 A N 3.233 125.887 122.820 -0.277 0.000 2.451 97 A HA 0.119 4.441 4.320 0.004 0.000 0.266 97 A C 0.086 177.465 177.584 -0.341 0.000 1.119 97 A CA -0.266 51.436 52.037 -0.558 0.000 0.786 97 A CB -0.502 17.779 19.000 -1.199 0.000 1.061 97 A HN 0.447 nan 8.150 nan 0.000 0.503 98 D N 1.979 122.226 120.400 -0.257 0.000 2.525 98 D HA 0.111 4.754 4.640 0.004 0.000 0.235 98 D C 0.506 176.510 176.300 -0.494 0.000 1.137 98 D CA 0.808 54.427 54.000 -0.636 0.000 0.868 98 D CB -0.241 40.379 40.800 -0.301 0.000 1.180 98 D HN 0.525 nan 8.370 nan 0.000 0.465 99 F N 0.267 119.893 119.950 -0.540 0.000 3.079 99 F HA -0.264 4.266 4.527 0.004 0.000 0.285 99 F C 1.608 177.291 175.800 -0.195 0.000 0.819 99 F CA 0.552 58.376 58.000 -0.293 0.000 1.067 99 F CB -2.024 36.896 39.000 -0.134 0.000 1.263 99 F HN 0.640 nan 8.300 nan 0.000 0.458 100 G N -0.662 108.032 108.800 -0.177 0.000 2.168 100 G HA2 -0.325 3.638 3.960 0.004 0.000 0.257 100 G HA3 -0.325 3.638 3.960 0.004 0.000 0.257 100 G C -0.139 174.718 174.900 -0.071 0.000 0.997 100 G CA 0.536 45.558 45.100 -0.129 0.000 0.708 100 G HN 0.970 nan 8.290 nan 0.000 0.520 101 H N -1.679 117.310 119.070 -0.134 0.000 3.017 101 H HA 0.397 4.956 4.556 0.004 0.000 0.340 101 H C -0.114 175.200 175.328 -0.023 0.000 1.014 101 H CA -0.934 55.087 56.048 -0.046 0.000 1.341 101 H CB 0.821 30.626 29.762 0.072 0.000 1.739 101 H HN 0.026 nan 8.280 nan 0.000 0.506 102 Y N 2.843 123.273 120.300 0.216 0.000 2.502 102 Y HA 0.070 4.622 4.550 0.004 0.000 0.295 102 Y C 2.182 178.193 175.900 0.186 0.000 1.193 102 Y CA 0.803 58.946 58.100 0.072 0.000 1.295 102 Y CB 0.030 38.393 38.460 -0.160 0.000 1.059 102 Y HN 0.804 nan 8.280 nan 0.000 0.514 103 G N 0.033 109.223 108.800 0.649 0.000 2.446 103 G HA2 -0.258 3.705 3.960 0.004 0.000 0.217 103 G HA3 -0.258 3.705 3.960 0.004 0.000 0.217 103 G C 2.064 177.101 174.900 0.229 0.000 1.168 103 G CA 0.947 46.304 45.100 0.427 0.000 0.771 103 G HN 0.502 nan 8.290 nan 0.000 0.551 104 G N 0.793 109.729 108.800 0.227 0.000 2.421 104 G HA2 -0.161 3.801 3.960 0.004 0.000 0.216 104 G HA3 -0.161 3.801 3.960 0.004 0.000 0.216 104 G C 1.768 176.818 174.900 0.249 0.000 1.171 104 G CA 1.063 46.316 45.100 0.254 0.000 0.775 104 G HN 0.416 nan 8.290 nan 0.000 0.543 105 L N -0.443 120.904 121.223 0.206 0.000 2.042 105 L HA 0.046 4.389 4.340 0.004 0.000 0.210 105 L C 2.444 179.361 176.870 0.078 0.000 1.076 105 L CA 1.676 56.574 54.840 0.096 0.000 0.749 105 L CB -0.525 41.528 42.059 -0.010 0.000 0.893 105 L HN 0.171 nan 8.230 nan 0.000 0.432 106 F N -0.746 119.315 119.950 0.185 0.000 2.293 106 F HA -0.023 4.507 4.527 0.004 0.000 0.297 106 F C 2.289 178.187 175.800 0.163 0.000 1.089 106 F CA 0.818 58.903 58.000 0.141 0.000 1.377 106 F CB -0.637 38.437 39.000 0.123 0.000 1.051 106 F HN 0.033 nan 8.300 nan 0.000 0.511 107 I N -0.309 120.448 120.570 0.313 0.000 2.179 107 I HA -0.297 3.876 4.170 0.004 0.000 0.242 107 I C 2.715 179.084 176.117 0.419 0.000 1.088 107 I CA 1.264 62.724 61.300 0.267 0.000 1.357 107 I CB -0.410 37.607 38.000 0.029 0.000 1.051 107 I HN 0.015 nan 8.210 nan 0.000 0.409 108 R N 1.042 121.745 120.500 0.338 0.000 2.091 108 R HA -0.230 4.113 4.340 0.004 0.000 0.238 108 R C 2.423 178.799 176.300 0.127 0.000 1.136 108 R CA 1.723 58.003 56.100 0.299 0.000 0.959 108 R CB -0.269 30.122 30.300 0.151 0.000 0.856 108 R HN 0.309 nan 8.270 nan 0.000 0.437 109 M N 0.100 119.783 119.600 0.139 0.000 2.080 109 M HA -0.178 4.304 4.480 0.004 0.000 0.260 109 M C 2.132 178.528 176.300 0.160 0.000 1.068 109 M CA 2.248 57.614 55.300 0.109 0.000 1.109 109 M CB -0.209 32.517 32.600 0.211 0.000 1.342 109 M HN 0.325 nan 8.290 nan 0.000 0.405 110 A N 0.514 123.507 122.820 0.288 0.000 1.898 110 A HA -0.234 4.088 4.320 0.004 0.000 0.216 110 A C 2.067 179.798 177.584 0.245 0.000 1.181 110 A CA 1.474 53.674 52.037 0.271 0.000 0.620 110 A CB -1.625 17.631 19.000 0.427 0.000 0.819 110 A HN 0.929 nan 8.150 nan 0.000 0.442 111 W N 0.384 121.858 121.300 0.289 0.000 2.338 111 W HA -0.241 4.421 4.660 0.003 0.000 0.304 111 W C 1.832 178.484 176.519 0.221 0.000 1.212 111 W CA 1.861 59.359 57.345 0.255 0.000 1.264 111 W CB -0.680 29.053 29.460 0.455 0.000 1.142 111 W HN 0.599 nan 8.180 nan 0.000 0.512 112 H N -0.284 118.481 119.070 -0.508 0.000 2.389 112 H HA -0.157 4.401 4.556 0.004 0.000 0.299 112 H C 2.693 177.749 175.328 -0.453 0.000 1.081 112 H CA 1.335 56.978 56.048 -0.676 0.000 1.345 112 H CB -0.140 29.380 29.762 -0.404 0.000 1.393 112 H HN 0.128 nan 8.280 nan 0.000 0.520 113 S N 0.446 116.061 115.700 -0.142 0.000 2.359 113 S HA -0.184 4.288 4.470 0.004 0.000 0.224 113 S C 2.376 176.856 174.600 -0.201 0.000 1.035 113 S CA 1.107 59.209 58.200 -0.163 0.000 1.018 113 S CB -0.212 62.931 63.200 -0.096 0.000 0.876 113 S HN 0.499 nan 8.310 nan 0.000 0.448 114 A N 0.302 123.006 122.820 -0.193 0.000 2.014 114 A HA 0.250 4.572 4.320 0.004 0.000 0.218 114 A C 2.178 179.658 177.584 -0.173 0.000 1.163 114 A CA 1.360 53.288 52.037 -0.182 0.000 0.652 114 A CB -1.170 17.726 19.000 -0.174 0.000 0.808 114 A HN 0.619 nan 8.150 nan 0.000 0.449 115 G N -0.470 108.077 108.800 -0.422 0.000 2.776 115 G HA2 0.007 3.969 3.960 0.004 0.000 0.209 115 G HA3 0.007 3.969 3.960 0.004 0.000 0.209 115 G C 1.347 175.918 174.900 -0.548 0.000 1.145 115 G CA 1.433 46.114 45.100 -0.699 0.000 0.791 115 G HN 0.631 nan 8.290 nan 0.000 0.530 116 T N -2.900 111.485 114.554 -0.282 0.000 3.113 116 T HA 0.081 4.434 4.350 0.004 0.000 0.256 116 T C 0.908 175.710 174.700 0.170 0.000 1.131 116 T CA -0.467 61.595 62.100 -0.062 0.000 1.074 116 T CB -0.264 68.545 68.868 -0.098 0.000 0.944 116 T HN 0.169 nan 8.240 nan 0.000 0.516 117 Y N 3.303 123.608 120.300 0.007 0.000 2.610 117 Y HA 0.379 4.931 4.550 0.003 0.000 0.332 117 Y C 0.021 175.967 175.900 0.076 0.000 1.201 117 Y CA -0.893 57.226 58.100 0.032 0.000 1.465 117 Y CB 0.367 38.819 38.460 -0.012 0.000 1.283 117 Y HN 0.044 nan 8.280 nan 0.000 0.563 118 R N 3.440 123.618 120.500 -0.537 0.000 2.480 118 R HA 0.225 4.567 4.340 0.004 0.000 0.306 118 R C 0.897 176.693 176.300 -0.841 0.000 0.958 118 R CA -0.383 55.430 56.100 -0.478 0.000 0.861 118 R CB 1.459 31.623 30.300 -0.226 0.000 1.171 118 R HN 0.753 nan 8.270 nan 0.000 0.445 119 T N 1.324 115.539 114.554 -0.565 0.000 2.915 119 T HA -0.127 4.226 4.350 0.004 0.000 0.269 119 T C 1.828 176.401 174.700 -0.211 0.000 1.071 119 T CA 1.837 63.730 62.100 -0.346 0.000 1.132 119 T CB -0.012 68.825 68.868 -0.052 0.000 0.878 119 T HN 0.662 nan 8.240 nan 0.000 0.479 120 A N 1.966 124.678 122.820 -0.181 0.000 1.892 120 A HA -0.150 4.173 4.320 0.004 0.000 0.218 120 A C 1.921 179.419 177.584 -0.143 0.000 1.188 120 A CA 2.377 54.336 52.037 -0.131 0.000 0.631 120 A CB -0.491 18.444 19.000 -0.109 0.000 0.822 120 A HN 0.773 nan 8.150 nan 0.000 0.447 121 D N -4.364 115.929 120.400 -0.179 0.000 2.500 121 D HA 0.306 4.949 4.640 0.004 0.000 0.217 121 D C 1.118 177.320 176.300 -0.163 0.000 1.159 121 D CA 0.965 54.871 54.000 -0.158 0.000 0.828 121 D CB -0.519 40.191 40.800 -0.150 0.000 1.039 121 D HN 0.934 nan 8.370 nan 0.000 0.512 122 G N 0.841 109.500 108.800 -0.235 0.000 2.184 122 G HA2 -0.355 3.607 3.960 0.004 0.000 0.264 122 G HA3 -0.355 3.607 3.960 0.004 0.000 0.264 122 G C 0.372 175.221 174.900 -0.084 0.000 0.975 122 G CA 0.235 45.238 45.100 -0.160 0.000 0.642 122 G HN 0.449 nan 8.290 nan 0.000 0.536 123 R N 0.277 120.680 120.500 -0.161 0.000 2.637 123 R HA 0.509 4.852 4.340 0.004 0.000 0.269 123 R C 1.277 177.550 176.300 -0.046 0.000 1.089 123 R CA 0.515 56.545 56.100 -0.117 0.000 1.177 123 R CB 0.293 30.467 30.300 -0.210 0.000 1.091 123 R HN 1.416 nan 8.270 nan 0.000 0.540 124 G N -0.330 108.493 108.800 0.038 0.000 2.752 124 G HA2 0.102 4.064 3.960 0.004 0.000 0.234 124 G HA3 0.102 4.064 3.960 0.004 0.000 0.234 124 G C 0.146 175.156 174.900 0.183 0.000 1.367 124 G CA -0.330 44.881 45.100 0.185 0.000 0.879 124 G HN 1.164 nan 8.290 nan 0.000 0.563 125 G N -2.916 105.962 108.800 0.129 0.000 2.655 125 G HA2 0.445 4.408 3.960 0.004 0.000 0.680 125 G HA3 0.445 4.408 3.960 0.004 0.000 0.680 125 G C 0.908 175.756 174.900 -0.088 0.000 1.302 125 G CA 1.107 46.216 45.100 0.016 0.000 0.872 125 G HN 2.466 nan 8.290 nan 0.000 0.540 126 A N -0.507 122.215 122.820 -0.163 0.000 2.178 126 A HA 0.503 4.825 4.320 0.004 0.000 0.211 126 A C 2.598 180.077 177.584 -0.174 0.000 1.157 126 A CA 1.779 53.710 52.037 -0.177 0.000 0.780 126 A CB -0.482 18.386 19.000 -0.220 0.000 0.828 126 A HN 2.325 nan 8.150 nan 0.000 0.476 127 G N -0.112 108.581 108.800 -0.178 0.000 2.498 127 G HA2 -0.123 3.839 3.960 0.004 0.000 0.219 127 G HA3 -0.123 3.839 3.960 0.004 0.000 0.219 127 G C 1.048 175.859 174.900 -0.149 0.000 1.119 127 G CA 0.972 45.964 45.100 -0.180 0.000 0.766 127 G HN 0.664 nan 8.290 nan 0.000 0.552 128 E N -0.956 119.169 120.200 -0.125 0.000 2.562 128 E HA 0.302 4.654 4.350 0.004 0.000 0.214 128 E C 1.395 177.923 176.600 -0.119 0.000 0.979 128 E CA 0.053 56.379 56.400 -0.125 0.000 1.002 128 E CB 0.638 30.275 29.700 -0.105 0.000 1.048 128 E HN 0.252 nan 8.360 nan 0.000 0.488 129 G N 2.347 111.072 108.800 -0.124 0.000 2.249 129 G HA2 -0.328 3.634 3.960 0.004 0.000 0.273 129 G HA3 -0.328 3.634 3.960 0.004 0.000 0.273 129 G C 0.854 175.644 174.900 -0.184 0.000 1.036 129 G CA 0.262 45.276 45.100 -0.143 0.000 0.824 129 G HN 0.199 nan 8.290 nan 0.000 0.504 130 Q N -0.838 118.897 119.800 -0.109 0.000 2.488 130 Q HA -0.018 4.324 4.340 0.004 0.000 0.211 130 Q C 2.318 178.211 176.000 -0.179 0.000 0.967 130 Q CA 1.169 56.952 55.803 -0.034 0.000 0.926 130 Q CB 0.050 28.805 28.738 0.028 0.000 0.992 130 Q HN 0.899 nan 8.270 nan 0.000 0.506 131 Q N 1.136 120.777 119.800 -0.266 0.000 2.291 131 Q HA -0.152 4.190 4.340 0.004 0.000 0.206 131 Q C 1.774 177.551 176.000 -0.373 0.000 0.976 131 Q CA 0.939 56.555 55.803 -0.312 0.000 0.875 131 Q CB 0.147 28.731 28.738 -0.257 0.000 0.927 131 Q HN 0.341 nan 8.270 nan 0.000 0.450 132 R N -1.204 118.971 120.500 -0.542 0.000 2.299 132 R HA 0.084 4.426 4.340 0.004 0.000 0.197 132 R C -0.261 175.606 176.300 -0.723 0.000 0.971 132 R CA 0.005 55.660 56.100 -0.741 0.000 1.030 132 R CB 0.133 29.780 30.300 -1.089 0.000 0.932 132 R HN 0.026 nan 8.270 nan 0.000 0.477 133 F N 0.717 120.529 119.950 -0.230 0.000 2.557 133 F HA 0.597 5.126 4.527 0.004 0.000 0.336 133 F C 0.591 176.295 175.800 -0.160 0.000 1.058 133 F CA -1.545 56.356 58.000 -0.166 0.000 0.988 133 F CB 1.150 40.081 39.000 -0.115 0.000 1.275 133 F HN -0.081 nan 8.300 nan 0.000 0.488 134 A N 1.747 124.643 122.820 0.126 0.000 2.407 134 A HA 0.325 4.647 4.320 0.004 0.000 0.248 134 A C -1.793 175.825 177.584 0.056 0.000 1.082 134 A CA -1.023 51.041 52.037 0.045 0.000 0.785 134 A CB -0.211 18.826 19.000 0.061 0.000 1.020 134 A HN 0.557 nan 8.150 nan 0.000 0.489 135 P HA 0.043 nan 4.420 nan 0.000 0.245 135 P C 1.146 178.289 177.300 -0.263 0.000 1.203 135 P CA 0.458 63.577 63.100 0.031 0.000 0.792 135 P CB 0.125 31.983 31.700 0.262 0.000 0.997 136 L N 0.936 121.823 121.223 -0.561 0.000 2.141 136 L HA -0.150 4.192 4.340 0.004 0.000 0.209 136 L C 2.252 178.841 176.870 -0.469 0.000 1.094 136 L CA 1.645 55.912 54.840 -0.954 0.000 0.763 136 L CB -1.206 40.300 42.059 -0.923 0.000 0.908 136 L HN 0.116 nan 8.230 nan 0.000 0.437 137 N N -1.179 117.354 118.700 -0.277 0.000 2.443 137 N HA -0.153 4.589 4.740 0.004 0.000 0.184 137 N C 1.162 176.647 175.510 -0.041 0.000 1.037 137 N CA 1.271 54.220 53.050 -0.168 0.000 0.896 137 N CB -0.329 38.039 38.487 -0.197 0.000 0.959 137 N HN 0.097 nan 8.380 nan 0.000 0.442 138 S N -1.716 113.947 115.700 -0.062 0.000 2.730 138 S HA 0.175 4.647 4.470 0.004 0.000 0.244 138 S C -0.696 173.913 174.600 0.014 0.000 1.022 138 S CA -0.798 57.361 58.200 -0.070 0.000 1.014 138 S CB 0.074 63.146 63.200 -0.214 0.000 0.963 138 S HN 0.240 nan 8.310 nan 0.000 0.540 139 W N 3.176 124.344 121.300 -0.219 0.000 2.181 139 W HA 0.265 4.927 4.660 0.003 0.000 0.335 139 W C -2.032 174.352 176.519 -0.225 0.000 1.310 139 W CA -2.051 55.053 57.345 -0.402 0.000 1.226 139 W CB -0.229 29.054 29.460 -0.296 0.000 1.155 139 W HN 0.094 nan 8.180 nan 0.000 0.565 140 P HA -0.218 nan 4.420 nan 0.000 0.217 140 P C 1.218 178.441 177.300 -0.128 0.000 1.148 140 P CA 1.804 64.838 63.100 -0.110 0.000 0.828 140 P CB 0.341 31.963 31.700 -0.131 0.000 0.783 141 D N -1.618 118.759 120.400 -0.038 0.000 2.310 141 D HA -0.070 4.572 4.640 0.004 0.000 0.212 141 D C 0.968 177.332 176.300 0.108 0.000 0.965 141 D CA 0.742 54.760 54.000 0.031 0.000 0.879 141 D CB -0.558 40.232 40.800 -0.017 0.000 0.921 141 D HN 0.012 nan 8.370 nan 0.000 0.510 142 N N 0.089 118.808 118.700 0.032 0.000 2.268 142 N HA 0.154 4.897 4.740 0.004 0.000 0.204 142 N C -0.315 174.952 175.510 -0.404 0.000 1.124 142 N CA -0.059 52.977 53.050 -0.022 0.000 0.838 142 N CB 0.307 38.816 38.487 0.037 0.000 0.994 142 N HN 0.016 nan 8.380 nan 0.000 0.489 143 A N 1.014 123.332 122.820 -0.837 0.000 2.546 143 A HA 0.111 4.433 4.320 0.004 0.000 0.243 143 A C 0.933 177.962 177.584 -0.925 0.000 1.063 143 A CA 0.035 50.974 52.037 -1.830 0.000 0.757 143 A CB -0.022 18.026 19.000 -1.586 0.000 0.991 143 A HN 0.447 nan 8.150 nan 0.000 0.503 144 N N 0.015 118.257 118.700 -0.764 0.000 2.900 144 N HA -0.183 4.559 4.740 0.004 0.000 0.240 144 N C 0.714 176.015 175.510 -0.347 0.000 0.953 144 N CA 1.549 54.319 53.050 -0.466 0.000 0.950 144 N CB -1.327 36.867 38.487 -0.487 0.000 1.102 144 N HN 0.672 nan 8.380 nan 0.000 0.593 145 L N 1.167 122.247 121.223 -0.238 0.000 2.376 145 L HA -0.102 4.240 4.340 0.004 0.000 0.219 145 L C 2.131 178.948 176.870 -0.089 0.000 1.133 145 L CA 1.337 56.094 54.840 -0.138 0.000 0.816 145 L CB -0.364 41.630 42.059 -0.109 0.000 0.933 145 L HN 0.240 nan 8.230 nan 0.000 0.449 146 D N 0.205 120.581 120.400 -0.040 0.000 2.182 146 D HA -0.224 4.418 4.640 0.004 0.000 0.201 146 D C 1.663 177.914 176.300 -0.082 0.000 0.986 146 D CA 1.107 55.076 54.000 -0.051 0.000 0.847 146 D CB -0.159 40.647 40.800 0.010 0.000 0.942 146 D HN 0.185 nan 8.370 nan 0.000 0.467 147 K N 1.259 121.554 120.400 -0.175 0.000 2.025 147 K HA 0.059 4.382 4.320 0.004 0.000 0.207 147 K C 2.410 179.002 176.600 -0.014 0.000 1.049 147 K CA 1.275 57.479 56.287 -0.138 0.000 0.933 147 K CB -0.947 31.114 32.500 -0.733 0.000 0.714 147 K HN 0.280 nan 8.250 nan 0.000 0.438 148 A N 2.009 124.774 122.820 -0.091 0.000 1.883 148 A HA -0.189 4.133 4.320 0.004 0.000 0.217 148 A C 2.280 180.028 177.584 0.273 0.000 1.186 148 A CA 1.570 53.627 52.037 0.032 0.000 0.624 148 A CB -0.439 18.575 19.000 0.024 0.000 0.822 148 A HN 0.272 nan 8.150 nan 0.000 0.444 149 R N -1.338 119.258 120.500 0.160 0.000 2.096 149 R HA -0.113 4.229 4.340 0.004 0.000 0.235 149 R C 2.412 178.890 176.300 0.297 0.000 1.127 149 R CA 1.461 57.670 56.100 0.182 0.000 0.968 149 R CB -0.265 29.966 30.300 -0.114 0.000 0.861 149 R HN 0.430 nan 8.270 nan 0.000 0.440 150 R N 1.447 122.080 120.500 0.221 0.000 2.115 150 R HA -0.038 4.304 4.340 0.004 0.000 0.230 150 R C 1.965 178.548 176.300 0.472 0.000 1.111 150 R CA 1.208 57.483 56.100 0.290 0.000 0.976 150 R CB -0.599 29.773 30.300 0.120 0.000 0.870 150 R HN 0.188 nan 8.270 nan 0.000 0.445 151 L N -0.087 121.416 121.223 0.467 0.000 2.191 151 L HA -0.126 4.217 4.340 0.004 0.000 0.212 151 L C 1.805 178.884 176.870 0.349 0.000 1.103 151 L CA 0.947 56.022 54.840 0.391 0.000 0.769 151 L CB -0.242 41.918 42.059 0.169 0.000 0.908 151 L HN 0.209 nan 8.230 nan 0.000 0.438 152 L N -1.839 119.613 121.223 0.383 0.000 2.509 152 L HA -0.106 4.236 4.340 0.004 0.000 0.222 152 L C 2.188 179.221 176.870 0.273 0.000 1.123 152 L CA 0.162 55.163 54.840 0.268 0.000 0.856 152 L CB -0.361 41.863 42.059 0.274 0.000 0.985 152 L HN 0.479 nan 8.230 nan 0.000 0.456 153 W N 3.016 124.468 121.300 0.253 0.000 2.335 153 W HA -0.172 4.490 4.660 0.004 0.000 0.311 153 W C -0.932 175.628 176.519 0.067 0.000 1.213 153 W CA 1.153 58.616 57.345 0.196 0.000 1.274 153 W CB -1.072 28.539 29.460 0.251 0.000 1.148 153 W HN 0.101 nan 8.180 nan 0.000 0.498 154 P HA -0.217 nan 4.420 nan 0.000 0.216 154 P C 1.677 178.776 177.300 -0.334 0.000 1.153 154 P CA 2.174 65.044 63.100 -0.383 0.000 0.858 154 P CB -0.315 31.317 31.700 -0.114 0.000 0.789 155 I N -0.963 119.508 120.570 -0.165 0.000 2.202 155 I HA -0.234 3.938 4.170 0.004 0.000 0.242 155 I C 2.405 178.459 176.117 -0.105 0.000 1.091 155 I CA 1.314 62.573 61.300 -0.067 0.000 1.368 155 I CB -0.324 37.682 38.000 0.011 0.000 1.058 155 I HN -0.145 nan 8.210 nan 0.000 0.410 156 K N 1.151 121.397 120.400 -0.256 0.000 2.032 156 K HA -0.284 4.038 4.320 0.004 0.000 0.209 156 K C 2.143 178.558 176.600 -0.309 0.000 1.048 156 K CA 1.801 57.885 56.287 -0.339 0.000 0.927 156 K CB -0.361 31.765 32.500 -0.623 0.000 0.712 156 K HN 0.283 nan 8.250 nan 0.000 0.441 157 Q N 0.398 119.794 119.800 -0.674 0.000 2.096 157 Q HA -0.254 4.088 4.340 0.004 0.000 0.204 157 Q C 2.059 177.811 176.000 -0.413 0.000 0.982 157 Q CA 2.147 57.484 55.803 -0.776 0.000 0.850 157 Q CB -0.184 27.690 28.738 -1.439 0.000 0.901 157 Q HN 0.369 nan 8.270 nan 0.000 0.422 158 K N -0.844 119.307 120.400 -0.414 0.000 2.057 158 K HA -0.179 4.143 4.320 0.004 0.000 0.207 158 K C 1.361 177.665 176.600 -0.492 0.000 1.049 158 K CA 1.559 57.569 56.287 -0.461 0.000 0.931 158 K CB -0.101 32.051 32.500 -0.581 0.000 0.714 158 K HN 0.325 nan 8.250 nan 0.000 0.440 159 Y N -0.039 120.184 120.300 -0.128 0.000 2.497 159 Y HA 0.180 4.732 4.550 0.004 0.000 0.265 159 Y C 1.498 177.384 175.900 -0.024 0.000 1.111 159 Y CA 0.208 58.267 58.100 -0.068 0.000 1.288 159 Y CB 0.486 38.909 38.460 -0.062 0.000 1.082 159 Y HN 0.381 nan 8.280 nan 0.000 0.536 160 G N 1.762 110.601 108.800 0.064 0.000 2.574 160 G HA2 -0.429 3.533 3.960 0.004 0.000 0.286 160 G HA3 -0.429 3.533 3.960 0.004 0.000 0.286 160 G C 1.216 176.211 174.900 0.159 0.000 1.212 160 G CA 0.666 45.816 45.100 0.083 0.000 0.979 160 G HN 0.467 nan 8.290 nan 0.000 0.557 161 R N 0.926 121.537 120.500 0.185 0.000 2.285 161 R HA 0.332 4.675 4.340 0.004 0.000 0.213 161 R C 2.533 179.125 176.300 0.486 0.000 1.068 161 R CA 1.951 58.224 56.100 0.289 0.000 1.004 161 R CB -0.422 29.978 30.300 0.166 0.000 0.873 161 R HN 1.101 nan 8.270 nan 0.000 0.467 162 A N 1.401 124.436 122.820 0.357 0.000 2.119 162 A HA 0.117 4.440 4.320 0.004 0.000 0.217 162 A C 1.175 179.010 177.584 0.419 0.000 1.153 162 A CA 0.520 52.751 52.037 0.323 0.000 0.692 162 A CB 0.005 19.114 19.000 0.181 0.000 0.799 162 A HN 0.435 nan 8.150 nan 0.000 0.458 163 I N 0.707 121.526 120.570 0.416 0.000 2.478 163 I HA 0.275 4.447 4.170 0.004 0.000 0.287 163 I C 0.049 176.336 176.117 0.284 0.000 1.042 163 I CA -0.697 60.873 61.300 0.450 0.000 1.067 163 I CB 1.949 40.081 38.000 0.221 0.000 1.233 163 I HN 0.207 nan 8.210 nan 0.000 0.431 164 S N 4.483 120.321 115.700 0.230 0.000 2.584 164 S HA 0.112 4.585 4.470 0.004 0.000 0.270 164 S C 0.713 175.309 174.600 -0.006 0.000 1.346 164 S CA -0.266 57.890 58.200 -0.073 0.000 1.018 164 S CB 0.674 63.616 63.200 -0.430 0.000 0.899 164 S HN 0.811 nan 8.310 nan 0.000 0.542 165 W N 1.262 122.525 121.300 -0.061 0.000 2.338 165 W HA -0.116 4.546 4.660 0.004 0.000 0.304 165 W C 2.788 179.251 176.519 -0.094 0.000 1.212 165 W CA 1.371 58.676 57.345 -0.066 0.000 1.264 165 W CB -0.662 28.718 29.460 -0.134 0.000 1.142 165 W HN 0.936 nan 8.180 nan 0.000 0.512 166 A N 0.225 123.099 122.820 0.090 0.000 1.892 166 A HA -0.273 4.049 4.320 0.004 0.000 0.218 166 A C 1.685 179.272 177.584 0.004 0.000 1.188 166 A CA 2.356 54.383 52.037 -0.017 0.000 0.631 166 A CB -0.976 17.954 19.000 -0.117 0.000 0.822 166 A HN 0.192 nan 8.150 nan 0.000 0.447 167 D N -0.726 119.692 120.400 0.030 0.000 2.117 167 D HA -0.097 4.545 4.640 0.004 0.000 0.198 167 D C 1.854 178.268 176.300 0.190 0.000 0.982 167 D CA 1.162 55.249 54.000 0.144 0.000 0.828 167 D CB -0.416 40.514 40.800 0.216 0.000 0.967 167 D HN 0.313 nan 8.370 nan 0.000 0.464 168 L N 0.776 122.069 121.223 0.116 0.000 2.083 168 L HA -0.111 4.231 4.340 0.004 0.000 0.209 168 L C 2.150 179.051 176.870 0.052 0.000 1.083 168 L CA 1.309 56.174 54.840 0.042 0.000 0.752 168 L CB -0.480 41.555 42.059 -0.040 0.000 0.899 168 L HN 0.031 nan 8.230 nan 0.000 0.433 169 L N -1.224 120.070 121.223 0.118 0.000 2.046 169 L HA -0.240 4.102 4.340 0.004 0.000 0.208 169 L C 2.457 179.384 176.870 0.094 0.000 1.077 169 L CA 0.950 55.856 54.840 0.110 0.000 0.747 169 L CB -0.682 41.438 42.059 0.101 0.000 0.896 169 L HN 0.277 nan 8.230 nan 0.000 0.432 170 I N -0.446 120.185 120.570 0.102 0.000 2.286 170 I HA -0.235 3.937 4.170 0.004 0.000 0.245 170 I C 2.499 178.721 176.117 0.176 0.000 1.104 170 I CA 1.201 62.593 61.300 0.154 0.000 1.397 170 I CB -1.026 37.048 38.000 0.124 0.000 1.072 170 I HN 0.224 nan 8.210 nan 0.000 0.417 171 L N 0.838 122.076 121.223 0.026 0.000 2.079 171 L HA -0.197 4.145 4.340 0.004 0.000 0.210 171 L C 2.453 179.205 176.870 -0.197 0.000 1.081 171 L CA 2.007 56.630 54.840 -0.362 0.000 0.752 171 L CB -0.909 40.818 42.059 -0.554 0.000 0.896 171 L HN 0.183 nan 8.230 nan 0.000 0.433 172 T N -0.659 113.810 114.554 -0.140 0.000 2.746 172 T HA -0.114 4.238 4.350 0.004 0.000 0.267 172 T C 1.748 176.404 174.700 -0.074 0.000 1.039 172 T CA 1.206 63.178 62.100 -0.212 0.000 1.142 172 T CB -0.999 67.647 68.868 -0.370 0.000 0.866 172 T HN 0.592 nan 8.240 nan 0.000 0.444 173 G N 1.955 110.822 108.800 0.113 0.000 2.476 173 G HA2 -0.333 3.630 3.960 0.004 0.000 0.218 173 G HA3 -0.333 3.630 3.960 0.004 0.000 0.218 173 G C 1.631 176.624 174.900 0.154 0.000 1.164 173 G CA 1.251 46.517 45.100 0.278 0.000 0.768 173 G HN 0.411 nan 8.290 nan 0.000 0.560 174 N N 0.093 118.920 118.700 0.211 0.000 2.069 174 N HA -0.104 4.638 4.740 0.004 0.000 0.191 174 N C 2.269 177.750 175.510 -0.049 0.000 1.031 174 N CA 1.268 54.390 53.050 0.121 0.000 0.852 174 N CB -0.557 38.020 38.487 0.149 0.000 1.018 174 N HN 0.196 nan 8.380 nan 0.000 0.423 175 V N 0.871 120.710 119.914 -0.126 0.000 2.407 175 V HA -0.179 3.943 4.120 0.004 0.000 0.248 175 V C 2.238 178.200 176.094 -0.219 0.000 1.055 175 V CA 1.693 63.843 62.300 -0.251 0.000 1.049 175 V CB -1.012 30.596 31.823 -0.358 0.000 0.662 175 V HN 0.343 nan 8.190 nan 0.000 0.455 176 A N 0.007 122.763 122.820 -0.106 0.000 1.865 176 A HA -0.199 4.123 4.320 0.004 0.000 0.217 176 A C 2.224 179.722 177.584 -0.145 0.000 1.191 176 A CA 1.993 54.021 52.037 -0.015 0.000 0.623 176 A CB -0.618 18.427 19.000 0.076 0.000 0.826 176 A HN 0.481 nan 8.150 nan 0.000 0.444 177 L N -0.741 120.324 121.223 -0.263 0.000 1.990 177 L HA -0.277 4.065 4.340 0.004 0.000 0.213 177 L C 2.696 179.530 176.870 -0.062 0.000 1.072 177 L CA 2.087 56.740 54.840 -0.313 0.000 0.755 177 L CB -0.648 41.198 42.059 -0.355 0.000 0.889 177 L HN 0.492 nan 8.230 nan 0.000 0.432 178 E N -0.819 119.367 120.200 -0.023 0.000 2.051 178 E HA -0.232 4.120 4.350 0.004 0.000 0.192 178 E C 2.322 179.017 176.600 0.159 0.000 0.991 178 E CA 1.410 57.848 56.400 0.064 0.000 0.799 178 E CB -0.164 29.580 29.700 0.074 0.000 0.748 178 E HN 0.315 nan 8.360 nan 0.000 0.449 179 S N 0.382 116.173 115.700 0.151 0.000 2.387 179 S HA -0.156 4.317 4.470 0.004 0.000 0.230 179 S C 1.724 176.466 174.600 0.238 0.000 1.035 179 S CA 1.177 59.547 58.200 0.284 0.000 1.014 179 S CB -0.069 63.291 63.200 0.267 0.000 0.836 179 S HN 0.182 nan 8.310 nan 0.000 0.466 180 M N 0.260 119.942 119.600 0.137 0.000 2.505 180 M HA 0.256 4.739 4.480 0.004 0.000 0.230 180 M C 1.206 177.684 176.300 0.296 0.000 1.153 180 M CA 0.532 55.924 55.300 0.153 0.000 0.997 180 M CB 0.479 33.109 32.600 0.051 0.000 1.606 180 M HN 0.532 nan 8.290 nan 0.000 0.481 181 G N 1.329 110.273 108.800 0.241 0.000 2.144 181 G HA2 -0.262 3.700 3.960 0.004 0.000 0.218 181 G HA3 -0.262 3.700 3.960 0.004 0.000 0.218 181 G C -0.413 174.612 174.900 0.208 0.000 0.988 181 G CA -0.595 44.651 45.100 0.244 0.000 0.659 181 G HN 0.460 nan 8.290 nan 0.000 0.522 182 F N 1.553 121.475 119.950 -0.046 0.000 2.426 182 F HA 0.691 5.220 4.527 0.003 0.000 0.348 182 F C 0.303 175.951 175.800 -0.253 0.000 1.124 182 F CA -1.413 56.401 58.000 -0.309 0.000 1.008 182 F CB 1.319 40.069 39.000 -0.416 0.000 1.139 182 F HN 0.033 nan 8.300 nan 0.000 0.452 183 K N 5.085 124.970 120.400 -0.858 0.000 2.316 183 K HA 0.279 4.601 4.320 0.004 0.000 0.289 183 K C -0.081 176.124 176.600 -0.658 0.000 1.070 183 K CA -0.347 55.602 56.287 -0.563 0.000 0.928 183 K CB 0.528 32.776 32.500 -0.419 0.000 1.039 183 K HN 0.765 nan 8.250 nan 0.000 0.480 184 T N 1.220 115.625 114.554 -0.248 0.000 2.849 184 T HA 0.122 4.475 4.350 0.004 0.000 0.284 184 T C 0.760 175.465 174.700 0.008 0.000 1.004 184 T CA -0.600 61.481 62.100 -0.032 0.000 1.021 184 T CB 0.607 69.560 68.868 0.142 0.000 1.013 184 T HN 0.550 nan 8.240 nan 0.000 0.527 185 F N 1.060 120.982 119.950 -0.046 0.000 2.558 185 F HA 0.394 4.923 4.527 0.004 0.000 0.298 185 F C 1.232 176.894 175.800 -0.231 0.000 1.119 185 F CA 1.027 58.942 58.000 -0.143 0.000 1.451 185 F CB -0.383 38.545 39.000 -0.119 0.000 1.091 185 F HN 1.205 nan 8.300 nan 0.000 0.563 186 G N -0.742 108.046 108.800 -0.019 0.000 2.368 186 G HA2 0.300 4.263 3.960 0.004 0.000 0.302 186 G HA3 0.300 4.263 3.960 0.004 0.000 0.302 186 G C -2.130 172.992 174.900 0.369 0.000 1.329 186 G CA -0.568 44.501 45.100 -0.052 0.000 0.935 186 G HN 0.193 nan 8.290 nan 0.000 0.590 187 F N 0.214 120.289 119.950 0.209 0.000 2.622 187 F HA 0.750 5.280 4.527 0.005 0.000 0.318 187 F C -0.519 175.470 175.800 0.317 0.000 1.135 187 F CA 0.045 58.268 58.000 0.371 0.000 1.015 187 F CB 1.549 40.709 39.000 0.267 0.000 1.275 187 F HN 1.380 nan 8.300 nan 0.000 0.457 188 A N 3.530 126.109 122.820 -0.402 0.000 2.342 188 A HA 0.837 5.159 4.320 0.004 0.000 0.323 188 A C -0.177 176.735 177.584 -1.121 0.000 1.125 188 A CA -0.152 51.569 52.037 -0.526 0.000 0.785 188 A CB 1.004 19.731 19.000 -0.454 0.000 1.221 188 A HN 1.258 nan 8.150 nan 0.000 0.463 189 G N -0.601 107.753 108.800 -0.743 0.000 2.535 189 G HA2 0.571 4.534 3.960 0.004 0.000 0.303 189 G HA3 0.571 4.534 3.960 0.004 0.000 0.303 189 G C 0.801 175.257 174.900 -0.740 0.000 1.237 189 G CA -0.205 44.294 45.100 -1.000 0.000 0.986 189 G HN 2.169 nan 8.290 nan 0.000 0.494 190 G N -1.509 106.935 108.800 -0.594 0.000 2.183 190 G HA2 -0.188 3.774 3.960 0.004 0.000 0.168 190 G HA3 -0.188 3.774 3.960 0.004 0.000 0.168 190 G C 0.409 175.299 174.900 -0.017 0.000 1.008 190 G CA -0.318 44.665 45.100 -0.196 0.000 0.677 190 G HN 0.706 nan 8.290 nan 0.000 0.498 191 R N 1.242 121.684 120.500 -0.096 0.000 2.351 191 R HA 0.556 4.898 4.340 0.004 0.000 0.321 191 R C 0.927 177.097 176.300 -0.216 0.000 1.182 191 R CA 0.482 56.494 56.100 -0.146 0.000 1.011 191 R CB 0.695 30.877 30.300 -0.197 0.000 1.048 191 R HN 0.485 nan 8.270 nan 0.000 0.490 192 A N 3.207 125.929 122.820 -0.163 0.000 2.477 192 A HA 0.027 4.349 4.320 0.004 0.000 0.246 192 A C -0.023 177.391 177.584 -0.284 0.000 1.078 192 A CA -0.374 51.488 52.037 -0.292 0.000 0.770 192 A CB 0.252 19.249 19.000 -0.005 0.000 1.011 192 A HN 0.547 nan 8.150 nan 0.000 0.494 193 D N 0.954 121.149 120.400 -0.343 0.000 2.382 193 D HA 0.371 5.014 4.640 0.004 0.000 0.240 193 D C 0.888 176.871 176.300 -0.528 0.000 1.146 193 D CA 0.967 54.715 54.000 -0.420 0.000 0.897 193 D CB 0.961 41.437 40.800 -0.540 0.000 1.197 193 D HN 0.705 nan 8.370 nan 0.000 0.432 194 T N -1.989 112.204 114.554 -0.603 0.000 2.940 194 T HA 0.538 4.891 4.350 0.004 0.000 0.288 194 T C 0.137 174.400 174.700 -0.728 0.000 1.045 194 T CA -0.802 60.988 62.100 -0.517 0.000 1.018 194 T CB 1.202 69.938 68.868 -0.219 0.000 1.151 194 T HN 0.550 nan 8.240 nan 0.000 0.529 195 W N 0.017 121.389 121.300 0.120 0.000 2.324 195 W HA 0.323 4.985 4.660 0.004 0.000 0.316 195 W C 0.495 176.774 176.519 -0.400 0.000 0.927 195 W CA -0.675 56.675 57.345 0.010 0.000 1.438 195 W CB 0.681 30.185 29.460 0.074 0.000 1.085 195 W HN 0.947 nan 8.180 nan 0.000 0.532 196 E N -0.407 119.538 120.200 -0.424 0.000 2.445 196 E HA 0.431 4.783 4.350 0.004 0.000 0.279 196 E C -2.916 173.361 176.600 -0.539 0.000 1.018 196 E CA -2.622 53.411 56.400 -0.612 0.000 0.816 196 E CB 1.801 31.321 29.700 -0.300 0.000 1.356 196 E HN -0.379 nan 8.360 nan 0.000 0.462 197 P HA -0.002 nan 4.420 nan 0.000 0.268 197 P C -0.694 176.623 177.300 0.028 0.000 1.204 197 P CA 0.099 63.131 63.100 -0.114 0.000 0.768 197 P CB 0.501 32.182 31.700 -0.031 0.000 0.842 198 E N 2.464 122.738 120.200 0.124 0.000 2.373 198 E HA -0.001 4.352 4.350 0.004 0.000 0.267 198 E C -0.477 176.182 176.600 0.098 0.000 1.032 198 E CA -0.322 56.172 56.400 0.158 0.000 0.889 198 E CB 0.313 30.080 29.700 0.112 0.000 0.984 198 E HN 0.374 nan 8.360 nan 0.000 0.425 199 D N 4.087 124.524 120.400 0.062 0.000 2.359 199 D HA 0.142 4.785 4.640 0.004 0.000 0.250 199 D C -0.833 175.416 176.300 -0.085 0.000 1.264 199 D CA 0.116 54.118 54.000 0.002 0.000 0.911 199 D CB 0.929 41.727 40.800 -0.002 0.000 1.056 199 D HN 0.055 nan 8.370 nan 0.000 0.499 200 V N 3.148 122.954 119.914 -0.180 0.000 2.686 200 V HA 0.098 4.221 4.120 0.004 0.000 0.306 200 V C -0.572 175.211 176.094 -0.519 0.000 1.065 200 V CA -1.127 60.872 62.300 -0.501 0.000 0.894 200 V CB 1.974 33.149 31.823 -1.079 0.000 1.004 200 V HN 0.357 nan 8.190 nan 0.000 0.424 201 Y N 3.012 123.022 120.300 -0.483 0.000 2.584 201 Y HA 0.254 4.806 4.550 0.004 0.000 0.351 201 Y C 0.253 175.955 175.900 -0.331 0.000 1.030 201 Y CA -0.590 57.329 58.100 -0.302 0.000 1.332 201 Y CB 0.622 38.969 38.460 -0.188 0.000 1.148 201 Y HN 0.777 nan 8.280 nan 0.000 0.528 202 W N 4.423 125.498 121.300 -0.374 0.000 3.278 202 W HA 0.456 5.118 4.660 0.004 0.000 0.308 202 W C 0.841 177.018 176.519 -0.569 0.000 1.253 202 W CA 0.488 57.658 57.345 -0.291 0.000 1.759 202 W CB 0.408 29.898 29.460 0.051 0.000 1.093 202 W HN 0.986 nan 8.180 nan 0.000 0.648 203 G N -0.533 107.640 108.800 -1.044 0.000 2.355 203 G HA2 -0.076 3.886 3.960 0.004 0.000 0.619 203 G HA3 -0.076 3.886 3.960 0.004 0.000 0.619 203 G C -0.029 174.649 174.900 -0.371 0.000 1.337 203 G CA -0.348 44.315 45.100 -0.727 0.000 0.993 203 G HN -0.221 nan 8.290 nan 0.000 0.599 204 S N -0.233 115.422 115.700 -0.075 0.000 2.559 204 S HA 0.244 4.717 4.470 0.004 0.000 0.226 204 S C 0.592 175.172 174.600 -0.033 0.000 1.000 204 S CA 0.244 58.471 58.200 0.044 0.000 0.948 204 S CB 0.262 63.550 63.200 0.146 0.000 0.870 204 S HN 0.581 nan 8.310 nan 0.000 0.497 205 E N 1.894 122.042 120.200 -0.087 0.000 2.392 205 E HA 0.123 4.475 4.350 0.004 0.000 0.264 205 E C 0.625 177.117 176.600 -0.180 0.000 1.024 205 E CA 0.147 56.480 56.400 -0.112 0.000 0.903 205 E CB 0.440 30.068 29.700 -0.120 0.000 0.963 205 E HN -0.116 nan 8.360 nan 0.000 0.432 206 K N 1.826 122.132 120.400 -0.157 0.000 2.372 206 K HA 0.287 4.609 4.320 0.004 0.000 0.200 206 K C -0.104 176.355 176.600 -0.235 0.000 1.022 206 K CA 0.120 56.292 56.287 -0.193 0.000 1.125 206 K CB 0.253 32.683 32.500 -0.116 0.000 0.855 206 K HN 0.445 nan 8.250 nan 0.000 0.524 207 I N 0.298 120.731 120.570 -0.228 0.000 2.466 207 I HA 0.244 4.417 4.170 0.004 0.000 0.289 207 I C -0.589 175.418 176.117 -0.183 0.000 1.026 207 I CA -1.065 60.132 61.300 -0.172 0.000 1.078 207 I CB 1.405 39.371 38.000 -0.058 0.000 1.249 207 I HN -0.048 nan 8.210 nan 0.000 0.429 208 W N 6.962 128.240 121.300 -0.038 0.000 2.343 208 W HA 0.147 4.809 4.660 0.004 0.000 0.337 208 W C 0.964 177.445 176.519 -0.064 0.000 1.320 208 W CA -0.031 57.275 57.345 -0.065 0.000 1.290 208 W CB 0.166 29.604 29.460 -0.038 0.000 1.206 208 W HN 0.464 nan 8.180 nan 0.000 0.565 209 L N 0.978 122.311 121.223 0.184 0.000 4.232 209 L HA -0.292 4.051 4.340 0.004 0.000 0.415 209 L C 0.772 177.674 176.870 0.053 0.000 1.168 209 L CA 0.266 55.157 54.840 0.085 0.000 0.966 209 L CB -1.702 40.411 42.059 0.090 0.000 2.052 209 L HN 0.566 nan 8.230 nan 0.000 0.887 210 E N 1.277 121.494 120.200 0.029 0.000 2.465 210 E HA 0.197 4.549 4.350 0.004 0.000 0.260 210 E C 0.351 176.974 176.600 0.038 0.000 0.980 210 E CA -0.182 56.231 56.400 0.022 0.000 0.927 210 E CB 0.556 30.253 29.700 -0.005 0.000 0.934 210 E HN 0.251 nan 8.360 nan 0.000 0.459 211 L N 2.902 124.150 121.223 0.041 0.000 2.472 211 L HA 0.097 4.439 4.340 0.004 0.000 0.260 211 L C 0.935 177.838 176.870 0.055 0.000 1.209 211 L CA -0.538 54.330 54.840 0.046 0.000 0.817 211 L CB 0.660 42.739 42.059 0.034 0.000 1.106 211 L HN 0.617 nan 8.230 nan 0.000 0.479 212 S N -0.157 115.578 115.700 0.059 0.000 2.576 212 S HA 0.364 4.836 4.470 0.004 0.000 0.272 212 S C 0.998 175.638 174.600 0.066 0.000 1.352 212 S CA -0.080 58.177 58.200 0.096 0.000 1.021 212 S CB 1.128 64.354 63.200 0.044 0.000 0.887 212 S HN 1.114 nan 8.310 nan 0.000 0.542 213 G N 0.446 109.299 108.800 0.087 0.000 2.157 213 G HA2 -0.083 3.880 3.960 0.004 0.000 0.248 213 G HA3 -0.083 3.880 3.960 0.004 0.000 0.248 213 G C 0.564 175.491 174.900 0.045 0.000 0.979 213 G CA 0.130 45.267 45.100 0.061 0.000 0.650 213 G HN 1.361 nan 8.290 nan 0.000 0.529 214 G N 0.300 109.126 108.800 0.044 0.000 2.611 214 G HA2 0.547 4.509 3.960 0.004 0.000 0.273 214 G HA3 0.547 4.509 3.960 0.004 0.000 0.273 214 G C -0.087 174.829 174.900 0.028 0.000 1.305 214 G CA 0.093 45.210 45.100 0.029 0.000 1.010 214 G HN 0.160 nan 8.290 nan 0.000 0.509 215 P HA -0.041 nan 4.420 nan 0.000 0.222 215 P C 0.447 177.759 177.300 0.020 0.000 1.147 215 P CA 0.882 63.992 63.100 0.016 0.000 0.790 215 P CB 0.328 32.033 31.700 0.007 0.000 0.780 216 N N -0.467 118.244 118.700 0.019 0.000 2.480 216 N HA 0.051 4.794 4.740 0.004 0.000 0.281 216 N C -0.206 175.324 175.510 0.034 0.000 1.381 216 N CA -0.029 53.035 53.050 0.024 0.000 0.903 216 N CB 0.446 38.937 38.487 0.007 0.000 1.274 216 N HN -0.026 nan 8.380 nan 0.000 0.505 217 S N 1.137 116.866 115.700 0.047 0.000 2.537 217 S HA 0.004 4.476 4.470 0.004 0.000 0.286 217 S C 1.548 176.183 174.600 0.058 0.000 1.299 217 S CA -0.306 57.937 58.200 0.073 0.000 1.067 217 S CB 0.608 63.866 63.200 0.097 0.000 0.864 217 S HN 0.454 nan 8.310 nan 0.000 0.494 218 R N 3.462 123.982 120.500 0.033 0.000 2.313 218 R HA 0.108 4.451 4.340 0.004 0.000 0.199 218 R C -0.539 175.625 176.300 -0.226 0.000 0.958 218 R CA 0.380 56.427 56.100 -0.088 0.000 1.047 218 R CB -0.159 30.046 30.300 -0.158 0.000 0.955 218 R HN 0.578 nan 8.270 nan 0.000 0.481 219 Y N 0.895 121.219 120.300 0.041 0.000 2.409 219 Y HA 0.394 4.946 4.550 0.004 0.000 0.339 219 Y C 0.246 176.168 175.900 0.037 0.000 1.033 219 Y CA -0.458 57.667 58.100 0.041 0.000 1.094 219 Y CB 2.188 40.671 38.460 0.039 0.000 1.210 219 Y HN 0.142 nan 8.280 nan 0.000 0.456 220 S N 0.545 116.364 115.700 0.199 0.000 2.638 220 S HA 0.858 5.330 4.470 0.004 0.000 0.274 220 S C 0.066 174.740 174.600 0.122 0.000 1.157 220 S CA -0.372 57.906 58.200 0.130 0.000 0.826 220 S CB 1.428 64.677 63.200 0.082 0.000 1.139 220 S HN 1.485 nan 8.310 nan 0.000 0.474 221 G N 1.528 110.379 108.800 0.084 0.000 2.596 221 G HA2 -0.257 3.705 3.960 0.004 0.000 0.295 221 G HA3 -0.257 3.705 3.960 0.004 0.000 0.295 221 G C -0.291 174.652 174.900 0.072 0.000 1.240 221 G CA 0.674 45.816 45.100 0.069 0.000 0.985 221 G HN 1.253 nan 8.290 nan 0.000 0.555 222 D N 0.860 121.301 120.400 0.068 0.000 2.619 222 D HA 0.439 5.082 4.640 0.004 0.000 0.224 222 D C 1.109 177.460 176.300 0.084 0.000 1.133 222 D CA 0.128 54.163 54.000 0.059 0.000 1.017 222 D CB -0.529 40.300 40.800 0.047 0.000 1.077 222 D HN 0.807 nan 8.370 nan 0.000 0.503 223 R N 1.373 121.932 120.500 0.099 0.000 3.333 223 R HA -0.187 4.155 4.340 0.004 0.000 0.256 223 R C -0.870 175.624 176.300 0.323 0.000 1.010 223 R CA 0.475 56.664 56.100 0.148 0.000 0.680 223 R CB -1.278 29.034 30.300 0.021 0.000 1.102 223 R HN 0.356 nan 8.270 nan 0.000 0.440 224 Q N 0.875 120.852 119.800 0.296 0.000 2.322 224 Q HA 0.216 4.559 4.340 0.004 0.000 0.256 224 Q C -0.213 175.853 176.000 0.110 0.000 0.960 224 Q CA -0.728 55.190 55.803 0.193 0.000 0.934 224 Q CB 1.378 30.182 28.738 0.110 0.000 1.200 224 Q HN 0.278 nan 8.270 nan 0.000 0.435 225 L N 3.359 124.568 121.223 -0.022 0.000 2.331 225 L HA 0.115 4.457 4.340 0.004 0.000 0.278 225 L C 0.410 177.183 176.870 -0.162 0.000 1.106 225 L CA 0.018 54.649 54.840 -0.348 0.000 0.824 225 L CB 0.615 42.500 42.059 -0.290 0.000 1.142 225 L HN 0.534 nan 8.230 nan 0.000 0.443 226 E N 3.273 123.372 120.200 -0.169 0.000 2.376 226 E HA 0.079 4.431 4.350 0.004 0.000 0.266 226 E C -0.687 175.895 176.600 -0.030 0.000 1.009 226 E CA -0.201 56.164 56.400 -0.058 0.000 0.902 226 E CB 0.117 29.807 29.700 -0.016 0.000 0.972 226 E HN 0.695 nan 8.360 nan 0.000 0.439 227 N N 3.744 122.431 118.700 -0.023 0.000 2.508 227 N HA 0.068 4.811 4.740 0.004 0.000 0.264 227 N C -1.742 173.762 175.510 -0.011 0.000 1.216 227 N CA -1.173 51.861 53.050 -0.027 0.000 0.943 227 N CB 0.716 39.172 38.487 -0.051 0.000 1.113 227 N HN 0.564 nan 8.380 nan 0.000 0.447 228 P HA 0.131 nan 4.420 nan 0.000 0.259 228 P C -0.656 176.641 177.300 -0.005 0.000 1.530 228 P CA 0.118 63.203 63.100 -0.026 0.000 1.022 228 P CB 0.269 31.934 31.700 -0.058 0.000 1.514 229 L N 0.226 121.462 121.223 0.023 0.000 2.436 229 L HA 0.462 4.804 4.340 0.004 0.000 0.265 229 L C 1.148 178.036 176.870 0.029 0.000 1.168 229 L CA -0.373 54.481 54.840 0.024 0.000 0.815 229 L CB 0.667 42.721 42.059 -0.008 0.000 1.109 229 L HN -0.046 nan 8.230 nan 0.000 0.462 230 A N 1.650 124.519 122.820 0.081 0.000 2.592 230 A HA 0.698 5.020 4.320 0.004 0.000 0.290 230 A C 0.009 177.708 177.584 0.191 0.000 0.998 230 A CA 0.169 52.282 52.037 0.126 0.000 0.983 230 A CB 0.397 19.475 19.000 0.131 0.000 1.240 230 A HN 0.691 nan 8.150 nan 0.000 0.535 231 A N -0.638 122.261 122.820 0.131 0.000 2.498 231 A HA 0.629 4.951 4.320 0.004 0.000 0.298 231 A C 0.822 178.469 177.584 0.106 0.000 1.075 231 A CA 0.208 52.321 52.037 0.127 0.000 0.714 231 A CB 0.832 19.846 19.000 0.023 0.000 1.299 231 A HN 1.171 nan 8.150 nan 0.000 0.407 232 V N -1.799 118.217 119.914 0.170 0.000 2.951 232 V HA 0.212 4.334 4.120 0.004 0.000 0.255 232 V C 0.370 176.598 176.094 0.224 0.000 1.088 232 V CA 1.287 63.759 62.300 0.286 0.000 1.109 232 V CB -1.000 31.001 31.823 0.297 0.000 0.724 232 V HN 0.720 nan 8.190 nan 0.000 0.471 233 Q N -0.230 119.615 119.800 0.075 0.000 2.418 233 Q HA 0.552 4.895 4.340 0.004 0.000 0.282 233 Q C -1.132 174.802 176.000 -0.111 0.000 1.044 233 Q CA -1.021 54.792 55.803 0.016 0.000 0.813 233 Q CB 2.347 31.102 28.738 0.028 0.000 1.428 233 Q HN 0.304 nan 8.270 nan 0.000 0.402 234 M N 1.322 120.845 119.600 -0.127 0.000 2.356 234 M HA 0.297 4.779 4.480 0.004 0.000 0.348 234 M C 0.733 176.874 176.300 -0.265 0.000 1.595 234 M CA 1.685 56.845 55.300 -0.234 0.000 1.095 234 M CB -0.637 31.835 32.600 -0.212 0.000 1.963 234 M HN 0.850 nan 8.290 nan 0.000 0.459 235 G N 3.888 112.194 108.800 -0.823 0.000 2.163 235 G HA2 -0.152 3.810 3.960 0.004 0.000 0.213 235 G HA3 -0.152 3.810 3.960 0.004 0.000 0.213 235 G C -0.291 174.134 174.900 -0.791 0.000 0.991 235 G CA 0.009 44.424 45.100 -1.141 0.000 0.653 235 G HN 0.683 nan 8.290 nan 0.000 0.518 236 L N 0.990 121.843 121.223 -0.616 0.000 2.344 236 L HA 0.498 4.840 4.340 0.004 0.000 0.272 236 L C 1.772 178.456 176.870 -0.311 0.000 1.035 236 L CA -1.471 53.184 54.840 -0.309 0.000 0.807 236 L CB 0.957 42.947 42.059 -0.116 0.000 1.237 236 L HN -0.151 nan 8.230 nan 0.000 0.442 237 I N 0.557 120.964 120.570 -0.272 0.000 2.141 237 I HA -0.193 3.979 4.170 0.004 0.000 0.236 237 I C 1.368 177.175 176.117 -0.517 0.000 1.071 237 I CA 2.172 63.170 61.300 -0.504 0.000 1.345 237 I CB -0.608 36.823 38.000 -0.948 0.000 1.066 237 I HN 0.642 nan 8.210 nan 0.000 0.406 238 Y N -0.440 119.912 120.300 0.087 0.000 3.127 238 Y HA 0.270 4.822 4.550 0.004 0.000 0.196 238 Y C 0.744 176.757 175.900 0.189 0.000 0.920 238 Y CA -0.310 57.893 58.100 0.171 0.000 1.664 238 Y CB -0.069 38.574 38.460 0.305 0.000 1.399 238 Y HN -0.106 nan 8.280 nan 0.000 0.435 239 V N -1.198 118.966 119.914 0.417 0.000 3.158 239 V HA 0.507 4.629 4.120 0.004 0.000 0.315 239 V C -0.782 175.454 176.094 0.237 0.000 1.148 239 V CA -1.202 61.280 62.300 0.304 0.000 1.042 239 V CB 1.753 33.763 31.823 0.311 0.000 1.101 239 V HN 0.305 nan 8.190 nan 0.000 0.448 240 N N 2.627 121.440 118.700 0.189 0.000 2.430 240 N HA 0.374 5.116 4.740 0.004 0.000 0.265 240 N C -1.563 174.057 175.510 0.183 0.000 1.100 240 N CA -1.859 51.287 53.050 0.160 0.000 0.961 240 N CB 1.666 40.229 38.487 0.126 0.000 1.075 240 N HN 0.620 nan 8.380 nan 0.000 0.478 241 P HA -0.050 nan 4.420 nan 0.000 0.226 241 P C 0.290 177.711 177.300 0.203 0.000 1.153 241 P CA 1.076 64.306 63.100 0.217 0.000 0.777 241 P CB 0.516 32.351 31.700 0.226 0.000 0.794 242 E N -0.272 120.038 120.200 0.183 0.000 2.299 242 E HA 0.237 4.589 4.350 0.004 0.000 0.193 242 E C 1.004 177.711 176.600 0.178 0.000 0.998 242 E CA 0.469 56.990 56.400 0.202 0.000 0.851 242 E CB -0.038 29.791 29.700 0.215 0.000 0.795 242 E HN 0.259 nan 8.360 nan 0.000 0.492 243 G N 1.163 110.053 108.800 0.151 0.000 2.355 243 G HA2 -0.089 3.873 3.960 0.004 0.000 0.619 243 G HA3 -0.089 3.873 3.960 0.004 0.000 0.619 243 G C -3.101 171.852 174.900 0.088 0.000 1.337 243 G CA -1.332 43.837 45.100 0.116 0.000 0.993 243 G HN -0.217 nan 8.290 nan 0.000 0.599 244 P HA 0.292 nan 4.420 nan 0.000 0.262 244 P C -0.152 177.154 177.300 0.011 0.000 1.199 244 P CA 0.734 63.849 63.100 0.024 0.000 0.763 244 P CB 0.360 32.053 31.700 -0.011 0.000 0.790 245 D N 3.314 123.722 120.400 0.014 0.000 2.882 245 D HA -0.198 4.445 4.640 0.004 0.000 0.229 245 D C 1.136 177.463 176.300 0.046 0.000 1.167 245 D CA 1.972 55.983 54.000 0.020 0.000 0.759 245 D CB -1.545 39.247 40.800 -0.013 0.000 1.088 245 D HN 0.794 nan 8.370 nan 0.000 0.425 246 G N -0.494 108.350 108.800 0.072 0.000 2.159 246 G HA2 -0.321 3.642 3.960 0.004 0.000 0.256 246 G HA3 -0.321 3.642 3.960 0.004 0.000 0.256 246 G C 0.035 174.997 174.900 0.103 0.000 0.977 246 G CA 0.172 45.341 45.100 0.114 0.000 0.652 246 G HN 0.415 nan 8.290 nan 0.000 0.531 247 N N 1.583 120.305 118.700 0.037 0.000 2.426 247 N HA 0.378 5.121 4.740 0.004 0.000 0.257 247 N C -2.507 172.976 175.510 -0.045 0.000 1.002 247 N CA -1.224 51.808 53.050 -0.029 0.000 0.942 247 N CB 1.947 40.424 38.487 -0.016 0.000 1.112 247 N HN 0.137 nan 8.380 nan 0.000 0.499 248 P HA 0.059 nan 4.420 nan 0.000 0.226 248 P C -0.764 176.616 177.300 0.133 0.000 1.783 248 P CA -0.049 63.039 63.100 -0.020 0.000 0.980 248 P CB -0.178 31.377 31.700 -0.243 0.000 1.967 249 D N 2.346 122.798 120.400 0.086 0.000 2.454 249 D HA 0.219 4.862 4.640 0.004 0.000 0.225 249 D C -1.754 174.580 176.300 0.056 0.000 1.081 249 D CA -2.554 51.486 54.000 0.067 0.000 0.864 249 D CB 1.503 42.319 40.800 0.026 0.000 1.040 249 D HN -0.019 nan 8.370 nan 0.000 0.517 250 P HA -0.105 nan 4.420 nan 0.000 0.220 250 P C 1.439 178.769 177.300 0.050 0.000 1.148 250 P CA 0.419 63.522 63.100 0.006 0.000 0.803 250 P CB 0.547 32.194 31.700 -0.089 0.000 0.782 251 V N -0.017 119.919 119.914 0.037 0.000 2.407 251 V HA -0.132 3.990 4.120 0.004 0.000 0.245 251 V C 2.465 178.582 176.094 0.038 0.000 1.041 251 V CA 1.981 64.310 62.300 0.049 0.000 1.040 251 V CB -1.618 30.225 31.823 0.032 0.000 0.671 251 V HN 0.080 nan 8.190 nan 0.000 0.455 252 A N 0.239 123.077 122.820 0.031 0.000 1.933 252 A HA -0.096 4.227 4.320 0.004 0.000 0.218 252 A C 2.416 180.029 177.584 0.049 0.000 1.175 252 A CA 1.974 54.028 52.037 0.029 0.000 0.628 252 A CB -0.746 18.264 19.000 0.016 0.000 0.814 252 A HN 0.548 nan 8.150 nan 0.000 0.444 253 A N -0.027 122.831 122.820 0.065 0.000 1.940 253 A HA 0.121 4.443 4.320 0.004 0.000 0.219 253 A C 2.481 180.133 177.584 0.113 0.000 1.176 253 A CA 2.093 54.185 52.037 0.092 0.000 0.631 253 A CB -0.992 18.067 19.000 0.098 0.000 0.814 253 A HN 1.099 nan 8.150 nan 0.000 0.446 254 A N -0.306 122.582 122.820 0.113 0.000 1.978 254 A HA -0.179 4.143 4.320 0.004 0.000 0.220 254 A C 2.233 179.885 177.584 0.114 0.000 1.170 254 A CA 1.520 53.656 52.037 0.165 0.000 0.636 254 A CB -0.458 18.624 19.000 0.137 0.000 0.810 254 A HN 0.570 nan 8.150 nan 0.000 0.448 255 R N -0.529 120.010 120.500 0.066 0.000 2.075 255 R HA -0.113 4.229 4.340 0.004 0.000 0.232 255 R C 1.493 177.857 176.300 0.107 0.000 1.126 255 R CA 1.462 57.596 56.100 0.056 0.000 0.963 255 R CB -0.370 29.953 30.300 0.039 0.000 0.858 255 R HN 0.450 nan 8.270 nan 0.000 0.435 256 D N 0.602 121.079 120.400 0.128 0.000 2.117 256 D HA -0.089 4.553 4.640 0.004 0.000 0.198 256 D C 1.878 178.311 176.300 0.222 0.000 0.982 256 D CA 0.968 55.075 54.000 0.179 0.000 0.828 256 D CB -0.102 40.802 40.800 0.173 0.000 0.967 256 D HN 0.170 nan 8.370 nan 0.000 0.464 257 I N 0.425 121.119 120.570 0.208 0.000 2.179 257 I HA -0.252 3.920 4.170 0.004 0.000 0.242 257 I C 2.571 178.825 176.117 0.229 0.000 1.088 257 I CA 0.944 62.370 61.300 0.210 0.000 1.357 257 I CB -0.172 37.878 38.000 0.083 0.000 1.051 257 I HN -0.069 nan 8.210 nan 0.000 0.409 258 R N 0.879 121.509 120.500 0.217 0.000 2.083 258 R HA -0.253 4.090 4.340 0.004 0.000 0.237 258 R C 2.069 178.480 176.300 0.186 0.000 1.137 258 R CA 2.335 58.551 56.100 0.194 0.000 0.951 258 R CB -0.283 30.058 30.300 0.069 0.000 0.851 258 R HN 0.302 nan 8.270 nan 0.000 0.434 259 D N -0.658 119.845 120.400 0.172 0.000 2.097 259 D HA -0.136 4.506 4.640 0.004 0.000 0.197 259 D C 1.834 178.244 176.300 0.183 0.000 0.984 259 D CA 2.241 56.339 54.000 0.162 0.000 0.826 259 D CB -0.190 40.709 40.800 0.165 0.000 0.973 259 D HN 0.414 nan 8.370 nan 0.000 0.460 260 T N -2.023 112.671 114.554 0.234 0.000 2.737 260 T HA -0.135 4.218 4.350 0.004 0.000 0.265 260 T C 2.094 176.867 174.700 0.122 0.000 1.038 260 T CA 0.860 63.096 62.100 0.228 0.000 1.144 260 T CB -1.009 68.059 68.868 0.333 0.000 0.866 260 T HN 0.054 nan 8.240 nan 0.000 0.434 261 F N 2.513 122.412 119.950 -0.084 0.000 2.161 261 F HA 0.166 4.695 4.527 0.003 0.000 0.300 261 F C 2.965 178.753 175.800 -0.019 0.000 1.089 261 F CA 0.573 58.473 58.000 -0.166 0.000 1.282 261 F CB -1.021 37.875 39.000 -0.172 0.000 1.010 261 F HN 0.283 nan 8.300 nan 0.000 0.485 262 A N -0.010 122.925 122.820 0.191 0.000 1.933 262 A HA -0.197 4.126 4.320 0.004 0.000 0.218 262 A C 2.224 179.869 177.584 0.100 0.000 1.175 262 A CA 1.501 53.620 52.037 0.137 0.000 0.628 262 A CB -0.647 18.427 19.000 0.122 0.000 0.814 262 A HN 0.331 nan 8.150 nan 0.000 0.444 263 R N -0.948 119.606 120.500 0.090 0.000 2.316 263 R HA 0.126 4.468 4.340 0.004 0.000 0.202 263 R C 0.942 177.268 176.300 0.043 0.000 1.029 263 R CA 0.866 57.001 56.100 0.058 0.000 1.018 263 R CB -0.142 30.198 30.300 0.066 0.000 0.888 263 R HN 0.524 nan 8.270 nan 0.000 0.471 264 M N -0.625 119.018 119.600 0.073 0.000 2.484 264 M HA 0.291 4.773 4.480 0.004 0.000 0.307 264 M C 0.240 176.662 176.300 0.203 0.000 1.149 264 M CA -0.115 55.281 55.300 0.159 0.000 0.972 264 M CB 1.187 33.879 32.600 0.154 0.000 1.400 264 M HN 0.127 nan 8.290 nan 0.000 0.508 265 A N 0.653 123.563 122.820 0.149 0.000 2.969 265 A HA -0.138 4.184 4.320 0.004 0.000 0.252 265 A C -0.023 177.616 177.584 0.091 0.000 1.377 265 A CA 0.787 52.908 52.037 0.140 0.000 0.859 265 A CB -1.529 17.590 19.000 0.200 0.000 1.077 265 A HN 0.483 nan 8.150 nan 0.000 0.671 266 M N 0.676 120.342 119.600 0.109 0.000 2.383 266 M HA 0.414 4.896 4.480 0.004 0.000 0.325 266 M C 0.347 176.746 176.300 0.165 0.000 1.092 266 M CA -0.674 54.706 55.300 0.134 0.000 0.961 266 M CB 1.464 34.191 32.600 0.212 0.000 1.672 266 M HN 0.691 nan 8.290 nan 0.000 0.438 267 N N 0.939 119.725 118.700 0.144 0.000 2.476 267 N HA 0.234 4.977 4.740 0.004 0.000 0.287 267 N C 0.124 175.727 175.510 0.155 0.000 1.262 267 N CA -0.284 52.850 53.050 0.140 0.000 0.980 267 N CB 0.434 38.994 38.487 0.122 0.000 1.163 267 N HN 0.370 nan 8.380 nan 0.000 0.592 268 D N -0.538 119.958 120.400 0.161 0.000 2.104 268 D HA -0.197 4.445 4.640 0.004 0.000 0.194 268 D C 1.356 177.756 176.300 0.167 0.000 0.994 268 D CA 1.488 55.628 54.000 0.233 0.000 0.830 268 D CB -0.203 40.713 40.800 0.193 0.000 0.959 268 D HN 0.812 nan 8.370 nan 0.000 0.452 269 E N 0.392 120.677 120.200 0.142 0.000 2.077 269 E HA -0.195 4.157 4.350 0.004 0.000 0.193 269 E C 1.763 178.513 176.600 0.250 0.000 0.989 269 E CA 0.985 57.491 56.400 0.176 0.000 0.800 269 E CB 0.100 29.915 29.700 0.192 0.000 0.746 269 E HN 0.324 nan 8.360 nan 0.000 0.452 270 E N -0.436 119.879 120.200 0.192 0.000 2.110 270 E HA -0.144 4.209 4.350 0.004 0.000 0.193 270 E C 2.099 178.777 176.600 0.130 0.000 0.988 270 E CA 1.603 58.111 56.400 0.180 0.000 0.804 270 E CB -0.012 29.772 29.700 0.140 0.000 0.745 270 E HN 0.227 nan 8.360 nan 0.000 0.458 271 T N 0.730 115.306 114.554 0.036 0.000 2.737 271 T HA -0.125 4.227 4.350 0.004 0.000 0.265 271 T C 2.127 176.603 174.700 -0.372 0.000 1.038 271 T CA 1.157 63.101 62.100 -0.261 0.000 1.144 271 T CB -0.230 68.393 68.868 -0.408 0.000 0.866 271 T HN -0.026 nan 8.240 nan 0.000 0.434 272 V N 1.855 121.620 119.914 -0.248 0.000 2.295 272 V HA -0.186 3.936 4.120 0.004 0.000 0.246 272 V C 2.910 179.062 176.094 0.097 0.000 1.049 272 V CA 1.767 63.971 62.300 -0.160 0.000 1.024 272 V CB -1.268 30.543 31.823 -0.020 0.000 0.648 272 V HN 0.534 nan 8.190 nan 0.000 0.447 273 A N -0.444 122.581 122.820 0.343 0.000 1.902 273 A HA -0.153 4.169 4.320 0.004 0.000 0.217 273 A C 2.240 179.878 177.584 0.090 0.000 1.181 273 A CA 1.819 54.083 52.037 0.378 0.000 0.623 273 A CB -0.507 18.725 19.000 0.386 0.000 0.818 273 A HN 0.502 nan 8.150 nan 0.000 0.443 274 L N -0.837 120.412 121.223 0.044 0.000 2.056 274 L HA -0.130 4.213 4.340 0.004 0.000 0.207 274 L C 2.487 179.108 176.870 -0.415 0.000 1.078 274 L CA 1.166 55.994 54.840 -0.020 0.000 0.749 274 L CB -0.401 41.695 42.059 0.062 0.000 0.901 274 L HN 0.378 nan 8.230 nan 0.000 0.433 275 I N -0.360 119.890 120.570 -0.533 0.000 2.202 275 I HA -0.241 3.931 4.170 0.004 0.000 0.242 275 I C 2.775 178.236 176.117 -1.093 0.000 1.091 275 I CA 1.150 61.965 61.300 -0.808 0.000 1.368 275 I CB -0.451 37.121 38.000 -0.712 0.000 1.058 275 I HN 0.163 nan 8.210 nan 0.000 0.410 276 A N 0.894 123.092 122.820 -1.037 0.000 1.933 276 A HA -0.122 4.201 4.320 0.004 0.000 0.218 276 A C 2.405 179.296 177.584 -1.154 0.000 1.175 276 A CA 1.929 52.999 52.037 -1.612 0.000 0.628 276 A CB -1.419 16.806 19.000 -1.292 0.000 0.814 276 A HN 0.475 nan 8.150 nan 0.000 0.444 277 G N -0.575 107.655 108.800 -0.950 0.000 2.404 277 G HA2 0.055 4.017 3.960 0.004 0.000 0.215 277 G HA3 0.055 4.017 3.960 0.004 0.000 0.215 277 G C 1.568 175.842 174.900 -1.044 0.000 1.174 277 G CA 1.219 45.372 45.100 -1.578 0.000 0.780 277 G HN 0.694 nan 8.290 nan 0.000 0.537 278 G N -0.074 108.242 108.800 -0.807 0.000 2.446 278 G HA2 -0.215 3.748 3.960 0.004 0.000 0.217 278 G HA3 -0.215 3.748 3.960 0.004 0.000 0.217 278 G C 1.429 176.137 174.900 -0.320 0.000 1.168 278 G CA 0.914 45.806 45.100 -0.347 0.000 0.771 278 G HN 0.658 nan 8.290 nan 0.000 0.551 279 H N -0.241 118.277 119.070 -0.920 0.000 2.536 279 H HA 0.138 4.697 4.556 0.004 0.000 0.276 279 H C 2.016 176.795 175.328 -0.916 0.000 1.019 279 H CA 0.115 55.307 56.048 -1.426 0.000 1.159 279 H CB 0.406 28.951 29.762 -2.029 0.000 1.373 279 H HN 0.247 nan 8.280 nan 0.000 0.584 280 T N 0.362 114.525 114.554 -0.651 0.000 2.995 280 T HA -0.048 4.304 4.350 0.004 0.000 0.269 280 T C 0.101 174.416 174.700 -0.641 0.000 1.091 280 T CA 0.896 62.600 62.100 -0.660 0.000 1.128 280 T CB -0.017 68.284 68.868 -0.945 0.000 0.891 280 T HN 0.092 nan 8.240 nan 0.000 0.492 281 F N 0.093 120.010 119.950 -0.055 0.000 2.522 281 F HA 0.593 5.122 4.527 0.004 0.000 0.324 281 F C 1.240 177.175 175.800 0.224 0.000 1.077 281 F CA -0.572 57.457 58.000 0.048 0.000 0.944 281 F CB 1.281 40.297 39.000 0.027 0.000 1.175 281 F HN 0.224 nan 8.300 nan 0.000 0.468 282 G N 2.290 111.313 108.800 0.372 0.000 2.539 282 G HA2 -0.085 3.878 3.960 0.004 0.000 0.256 282 G HA3 -0.085 3.878 3.960 0.004 0.000 0.256 282 G C -0.999 174.153 174.900 0.420 0.000 1.233 282 G CA 0.057 45.408 45.100 0.418 0.000 0.936 282 G HN 1.083 nan 8.290 nan 0.000 0.571 283 K N -1.868 118.722 120.400 0.318 0.000 2.615 283 K HA 0.703 5.026 4.320 0.004 0.000 0.291 283 K C -0.127 176.309 176.600 -0.273 0.000 1.017 283 K CA -0.147 56.055 56.287 -0.143 0.000 0.882 283 K CB 1.154 33.574 32.500 -0.135 0.000 1.522 283 K HN 1.424 nan 8.250 nan 0.000 0.412 284 T N -1.413 112.824 114.554 -0.530 0.000 2.862 284 T HA 0.465 4.817 4.350 0.004 0.000 0.276 284 T C -0.710 173.575 174.700 -0.692 0.000 0.974 284 T CA -0.382 61.492 62.100 -0.376 0.000 0.966 284 T CB 0.577 69.301 68.868 -0.239 0.000 1.072 284 T HN 0.661 nan 8.240 nan 0.000 0.538 285 H N -1.131 117.919 119.070 -0.034 0.000 3.013 285 H HA 0.600 5.158 4.556 0.004 0.000 0.326 285 H C 0.288 175.589 175.328 -0.044 0.000 0.973 285 H CA -0.610 55.423 56.048 -0.025 0.000 1.369 285 H CB 1.477 31.262 29.762 0.039 0.000 1.598 285 H HN 1.044 nan 8.280 nan 0.000 0.518 286 G N 1.270 110.059 108.800 -0.019 0.000 4.876 286 G HA2 0.396 4.359 3.960 0.004 0.000 0.219 286 G HA3 0.396 4.359 3.960 0.004 0.000 0.219 286 G C 0.798 175.628 174.900 -0.116 0.000 0.877 286 G CA 0.128 45.190 45.100 -0.063 0.000 0.718 286 G HN 0.701 nan 8.290 nan 0.000 0.518 287 A N -0.358 122.399 122.820 -0.104 0.000 2.066 287 A HA 0.620 4.942 4.320 0.004 0.000 0.218 287 A C 1.392 178.743 177.584 -0.388 0.000 1.157 287 A CA 1.398 53.365 52.037 -0.118 0.000 0.670 287 A CB 0.129 19.165 19.000 0.060 0.000 0.804 287 A HN 1.261 nan 8.150 nan 0.000 0.453 288 G N -2.151 106.255 108.800 -0.656 0.000 2.687 288 G HA2 0.515 4.478 3.960 0.004 0.000 0.291 288 G HA3 0.515 4.478 3.960 0.004 0.000 0.291 288 G C -3.494 171.107 174.900 -0.498 0.000 1.420 288 G CA -1.272 43.232 45.100 -0.993 0.000 0.796 288 G HN -0.102 nan 8.290 nan 0.000 0.485 289 P HA 0.248 nan 4.420 nan 0.000 0.266 289 P C 0.776 178.007 177.300 -0.116 0.000 1.195 289 P CA 0.505 63.501 63.100 -0.172 0.000 0.768 289 P CB 1.202 32.838 31.700 -0.106 0.000 0.838 290 A N 2.965 125.742 122.820 -0.071 0.000 2.125 290 A HA -0.153 4.169 4.320 0.004 0.000 0.219 290 A C 2.030 179.618 177.584 0.007 0.000 1.156 290 A CA 1.827 53.849 52.037 -0.026 0.000 0.671 290 A CB -1.446 17.544 19.000 -0.017 0.000 0.794 290 A HN 0.597 nan 8.150 nan 0.000 0.459 291 S N 0.512 116.212 115.700 0.001 0.000 2.442 291 S HA -0.159 4.313 4.470 0.004 0.000 0.236 291 S C 1.510 176.135 174.600 0.040 0.000 1.007 291 S CA 1.109 59.322 58.200 0.021 0.000 0.965 291 S CB -0.640 62.568 63.200 0.013 0.000 0.773 291 S HN 0.631 nan 8.310 nan 0.000 0.504 292 N N 1.270 119.998 118.700 0.046 0.000 2.381 292 N HA 0.027 4.769 4.740 0.004 0.000 0.182 292 N C 0.013 175.582 175.510 0.098 0.000 1.025 292 N CA 0.555 53.657 53.050 0.085 0.000 0.888 292 N CB -0.156 38.407 38.487 0.127 0.000 0.965 292 N HN 0.321 nan 8.380 nan 0.000 0.438 293 V N 1.032 121.003 119.914 0.096 0.000 2.461 293 V HA 0.360 4.483 4.120 0.004 0.000 0.275 293 V C 1.125 177.291 176.094 0.121 0.000 1.047 293 V CA -0.634 61.746 62.300 0.134 0.000 0.955 293 V CB 1.115 33.033 31.823 0.159 0.000 0.988 293 V HN 0.098 nan 8.190 nan 0.000 0.471 294 G N 2.893 111.757 108.800 0.108 0.000 2.509 294 G HA2 0.586 4.549 3.960 0.004 0.000 0.269 294 G HA3 0.586 4.549 3.960 0.004 0.000 0.269 294 G C 0.167 175.058 174.900 -0.015 0.000 1.416 294 G CA -0.207 44.920 45.100 0.044 0.000 1.052 294 G HN 1.075 nan 8.290 nan 0.000 0.542 295 A N 0.047 122.812 122.820 -0.092 0.000 2.540 295 A HA 0.395 4.717 4.320 0.004 0.000 0.239 295 A C 0.974 178.282 177.584 -0.460 0.000 1.061 295 A CA -0.062 51.858 52.037 -0.195 0.000 0.758 295 A CB -0.055 18.852 19.000 -0.155 0.000 0.991 295 A HN 0.720 nan 8.150 nan 0.000 0.502 296 E N 2.916 122.734 120.200 -0.636 0.000 2.425 296 E HA 0.042 4.394 4.350 0.004 0.000 0.258 296 E C -2.138 173.950 176.600 -0.853 0.000 1.151 296 E CA -1.096 54.569 56.400 -1.226 0.000 0.958 296 E CB -0.417 28.778 29.700 -0.843 0.000 0.968 296 E HN 0.341 nan 8.360 nan 0.000 0.451 297 P HA -0.200 nan 4.420 nan 0.000 0.216 297 P C 0.988 178.090 177.300 -0.330 0.000 1.157 297 P CA 1.574 64.353 63.100 -0.536 0.000 0.880 297 P CB 0.153 31.571 31.700 -0.471 0.000 0.791 298 E N -1.163 118.872 120.200 -0.275 0.000 2.338 298 E HA -0.050 4.303 4.350 0.004 0.000 0.197 298 E C 1.674 178.200 176.600 -0.124 0.000 1.007 298 E CA 1.026 57.335 56.400 -0.151 0.000 0.849 298 E CB -0.401 29.252 29.700 -0.078 0.000 0.774 298 E HN 0.238 nan 8.360 nan 0.000 0.506 299 A N 0.507 123.230 122.820 -0.163 0.000 2.303 299 A HA 0.437 4.759 4.320 0.004 0.000 0.217 299 A C 1.187 178.694 177.584 -0.129 0.000 1.205 299 A CA 0.323 52.289 52.037 -0.119 0.000 0.875 299 A CB 0.266 19.205 19.000 -0.102 0.000 0.910 299 A HN 0.140 nan 8.150 nan 0.000 0.501 300 A N 0.027 122.744 122.820 -0.171 0.000 2.332 300 A HA 0.559 4.882 4.320 0.004 0.000 0.258 300 A C 0.964 178.482 177.584 -0.110 0.000 1.087 300 A CA 0.150 52.097 52.037 -0.151 0.000 0.802 300 A CB -0.320 18.566 19.000 -0.190 0.000 1.042 300 A HN 0.855 nan 8.150 nan 0.000 0.489 301 G N -0.542 108.205 108.800 -0.088 0.000 2.559 301 G HA2 0.294 4.257 3.960 0.004 0.000 0.235 301 G HA3 0.294 4.257 3.960 0.004 0.000 0.235 301 G C 0.873 175.728 174.900 -0.076 0.000 1.266 301 G CA 0.116 45.174 45.100 -0.070 0.000 0.847 301 G HN 0.883 nan 8.290 nan 0.000 0.583 302 I N 0.354 120.886 120.570 -0.064 0.000 2.335 302 I HA -0.184 3.989 4.170 0.004 0.000 0.251 302 I C 2.768 178.843 176.117 -0.069 0.000 1.129 302 I CA 1.835 63.096 61.300 -0.065 0.000 1.402 302 I CB 0.043 38.012 38.000 -0.052 0.000 1.069 302 I HN 0.759 nan 8.210 nan 0.000 0.424 303 E N 1.246 121.409 120.200 -0.061 0.000 2.338 303 E HA -0.166 4.187 4.350 0.004 0.000 0.197 303 E C 1.808 178.363 176.600 -0.075 0.000 1.007 303 E CA 1.112 57.476 56.400 -0.060 0.000 0.849 303 E CB -0.380 29.293 29.700 -0.045 0.000 0.774 303 E HN 0.544 nan 8.360 nan 0.000 0.506 304 A N 0.993 123.761 122.820 -0.086 0.000 2.168 304 A HA -0.096 4.227 4.320 0.004 0.000 0.215 304 A C 0.838 178.343 177.584 -0.132 0.000 1.152 304 A CA 0.451 52.425 52.037 -0.105 0.000 0.716 304 A CB -0.214 18.718 19.000 -0.114 0.000 0.794 304 A HN 0.179 nan 8.150 nan 0.000 0.465 305 Q N -2.250 117.475 119.800 -0.125 0.000 2.439 305 Q HA -0.255 4.087 4.340 0.004 0.000 0.325 305 Q C 0.940 176.838 176.000 -0.170 0.000 1.372 305 Q CA 1.243 56.962 55.803 -0.140 0.000 0.909 305 Q CB -2.319 26.334 28.738 -0.141 0.000 1.167 305 Q HN 1.734 nan 8.270 nan 0.000 0.418 306 G N -1.591 107.108 108.800 -0.168 0.000 2.195 306 G HA2 -0.295 3.667 3.960 0.004 0.000 0.246 306 G HA3 -0.295 3.667 3.960 0.004 0.000 0.246 306 G C 0.229 175.006 174.900 -0.205 0.000 0.984 306 G CA 0.322 45.309 45.100 -0.189 0.000 0.633 306 G HN 0.325 nan 8.290 nan 0.000 0.525 307 L N -0.045 121.061 121.223 -0.195 0.000 2.400 307 L HA 0.829 5.171 4.340 0.004 0.000 0.264 307 L C 1.008 177.747 176.870 -0.218 0.000 1.061 307 L CA -0.348 54.382 54.840 -0.184 0.000 0.799 307 L CB 1.597 43.560 42.059 -0.160 0.000 1.240 307 L HN 0.322 nan 8.230 nan 0.000 0.461 308 G N -2.300 106.372 108.800 -0.213 0.000 2.749 308 G HA2 0.397 4.360 3.960 0.004 0.000 0.300 308 G HA3 0.397 4.360 3.960 0.004 0.000 0.300 308 G C -1.428 173.441 174.900 -0.052 0.000 1.352 308 G CA -0.474 44.418 45.100 -0.347 0.000 0.789 308 G HN 0.706 nan 8.290 nan 0.000 0.509 309 W N -0.059 121.191 121.300 -0.083 0.000 5.121 309 W HA -0.168 4.494 4.660 0.004 0.000 0.372 309 W C 0.741 177.254 176.519 -0.010 0.000 1.394 309 W CA 0.796 58.108 57.345 -0.056 0.000 0.885 309 W CB -1.133 28.279 29.460 -0.079 0.000 2.520 309 W HN 0.631 nan 8.180 nan 0.000 1.455 310 K N 1.687 122.167 120.400 0.133 0.000 2.472 310 K HA 0.191 4.513 4.320 0.004 0.000 0.280 310 K C 0.561 177.250 176.600 0.147 0.000 1.028 310 K CA 0.554 56.918 56.287 0.129 0.000 1.045 310 K CB 0.675 33.214 32.500 0.065 0.000 0.902 310 K HN -0.014 nan 8.250 nan 0.000 0.478 311 S N 2.892 118.698 115.700 0.176 0.000 2.475 311 S HA 0.491 4.963 4.470 0.004 0.000 0.298 311 S C 0.370 175.052 174.600 0.137 0.000 1.119 311 S CA -0.422 57.879 58.200 0.168 0.000 1.085 311 S CB 1.594 64.918 63.200 0.207 0.000 1.028 311 S HN 0.678 nan 8.310 nan 0.000 0.489 312 A N 3.933 126.829 122.820 0.127 0.000 2.275 312 A HA 0.226 4.549 4.320 0.004 0.000 0.212 312 A C 0.117 177.769 177.584 0.113 0.000 1.201 312 A CA -0.024 52.071 52.037 0.096 0.000 0.843 312 A CB -0.364 18.683 19.000 0.079 0.000 0.873 312 A HN 0.834 nan 8.150 nan 0.000 0.492 313 Y N 2.165 122.479 120.300 0.025 0.000 2.486 313 Y HA 0.379 4.931 4.550 0.004 0.000 0.348 313 Y C 1.006 176.902 175.900 -0.007 0.000 1.000 313 Y CA -0.551 57.553 58.100 0.008 0.000 1.253 313 Y CB -0.319 38.145 38.460 0.008 0.000 1.140 313 Y HN 0.545 nan 8.280 nan 0.000 0.526 314 R N 0.564 120.754 120.500 -0.516 0.000 3.853 314 R HA -0.334 4.008 4.340 0.004 0.000 0.440 314 R C 1.550 177.726 176.300 -0.206 0.000 0.241 314 R CA 2.445 58.280 56.100 -0.442 0.000 1.395 314 R CB -1.687 28.200 30.300 -0.688 0.000 0.984 314 R HN 0.774 nan 8.270 nan 0.000 0.570 315 T N -0.702 113.743 114.554 -0.181 0.000 3.072 315 T HA 0.163 4.515 4.350 0.004 0.000 0.266 315 T C 1.408 176.084 174.700 -0.041 0.000 1.127 315 T CA 1.324 63.360 62.100 -0.107 0.000 1.107 315 T CB 0.119 68.903 68.868 -0.141 0.000 0.910 315 T HN 1.258 nan 8.240 nan 0.000 0.513 316 G N 1.875 110.671 108.800 -0.007 0.000 2.148 316 G HA2 -0.273 3.689 3.960 0.004 0.000 0.254 316 G HA3 -0.273 3.689 3.960 0.004 0.000 0.254 316 G C -0.063 174.901 174.900 0.107 0.000 0.981 316 G CA 0.679 45.839 45.100 0.099 0.000 0.670 316 G HN 1.055 nan 8.290 nan 0.000 0.528 317 K N -2.356 117.990 120.400 -0.090 0.000 2.617 317 K HA 0.634 4.956 4.320 0.004 0.000 0.293 317 K C 1.057 177.322 176.600 -0.559 0.000 1.034 317 K CA -0.062 55.980 56.287 -0.408 0.000 0.884 317 K CB 0.948 33.279 32.500 -0.283 0.000 1.541 317 K HN 1.752 nan 8.250 nan 0.000 0.409 318 G N 0.790 109.087 108.800 -0.837 0.000 2.622 318 G HA2 -0.435 3.527 3.960 0.004 0.000 0.307 318 G HA3 -0.435 3.527 3.960 0.004 0.000 0.307 318 G C 1.086 175.496 174.900 -0.818 0.000 1.226 318 G CA 1.723 46.267 45.100 -0.926 0.000 0.997 318 G HN 1.389 nan 8.290 nan 0.000 0.551 319 A N -0.780 121.312 122.820 -1.213 0.000 2.032 319 A HA 0.043 4.365 4.320 0.004 0.000 0.221 319 A C 1.758 179.228 177.584 -0.191 0.000 1.165 319 A CA 2.593 54.331 52.037 -0.499 0.000 0.645 319 A CB -0.334 18.420 19.000 -0.410 0.000 0.807 319 A HN 0.619 nan 8.150 nan 0.000 0.453 320 D N -0.414 119.865 120.400 -0.201 0.000 2.368 320 D HA 0.359 5.002 4.640 0.004 0.000 0.218 320 D C 0.608 176.953 176.300 0.076 0.000 1.112 320 D CA 0.558 54.567 54.000 0.015 0.000 0.834 320 D CB -0.027 40.747 40.800 -0.044 0.000 0.953 320 D HN 0.429 nan 8.370 nan 0.000 0.505 321 A N 0.882 123.680 122.820 -0.037 0.000 2.498 321 A HA 0.356 4.679 4.320 0.004 0.000 0.239 321 A C 0.197 177.861 177.584 0.134 0.000 1.068 321 A CA 0.270 52.316 52.037 0.016 0.000 0.766 321 A CB 0.174 19.098 19.000 -0.127 0.000 1.003 321 A HN 0.186 nan 8.150 nan 0.000 0.497 322 I N 2.240 122.907 120.570 0.162 0.000 2.468 322 I HA 0.311 4.484 4.170 0.004 0.000 0.285 322 I C 0.463 176.639 176.117 0.098 0.000 1.039 322 I CA -0.205 61.159 61.300 0.107 0.000 1.074 322 I CB 2.322 40.349 38.000 0.045 0.000 1.228 322 I HN 0.785 nan 8.210 nan 0.000 0.436 323 T N 1.258 115.859 114.554 0.078 0.000 3.447 323 T HA -0.015 4.337 4.350 0.004 0.000 0.218 323 T C 1.570 176.233 174.700 -0.061 0.000 0.972 323 T CA 0.809 62.893 62.100 -0.027 0.000 1.264 323 T CB 0.020 68.909 68.868 0.034 0.000 1.284 323 T HN 0.621 nan 8.240 nan 0.000 0.361 324 S N 0.473 116.181 115.700 0.013 0.000 2.470 324 S HA 0.366 4.838 4.470 0.004 0.000 0.225 324 S C 1.920 176.518 174.600 -0.003 0.000 1.006 324 S CA 1.055 59.260 58.200 0.008 0.000 0.934 324 S CB -0.073 63.164 63.200 0.062 0.000 0.778 324 S HN 1.032 nan 8.310 nan 0.000 0.517 325 G N 0.571 109.366 108.800 -0.009 0.000 2.213 325 G HA2 -0.195 3.767 3.960 0.004 0.000 0.236 325 G HA3 -0.195 3.767 3.960 0.004 0.000 0.236 325 G C -0.103 174.766 174.900 -0.051 0.000 0.991 325 G CA 0.094 45.171 45.100 -0.038 0.000 0.629 325 G HN 0.500 nan 8.290 nan 0.000 0.517 326 L N 0.402 121.603 121.223 -0.036 0.000 2.399 326 L HA 0.729 5.072 4.340 0.004 0.000 0.266 326 L C 0.416 177.214 176.870 -0.120 0.000 1.114 326 L CA -0.629 54.173 54.840 -0.064 0.000 0.804 326 L CB 1.497 43.536 42.059 -0.032 0.000 1.146 326 L HN 0.115 nan 8.230 nan 0.000 0.451 327 E N 1.848 121.952 120.200 -0.159 0.000 2.795 327 E HA 0.449 4.801 4.350 0.004 0.000 0.226 327 E C -1.714 174.716 176.600 -0.284 0.000 1.088 327 E CA -0.183 56.084 56.400 -0.222 0.000 0.812 327 E CB 0.938 30.526 29.700 -0.186 0.000 1.328 327 E HN 0.233 nan 8.360 nan 0.000 0.410 328 V N 2.767 122.438 119.914 -0.405 0.000 2.638 328 V HA 0.591 4.713 4.120 0.004 0.000 0.306 328 V C -0.452 175.163 176.094 -0.798 0.000 1.052 328 V CA -0.692 61.276 62.300 -0.555 0.000 0.885 328 V CB 2.383 33.846 31.823 -0.599 0.000 0.999 328 V HN 0.552 nan 8.190 nan 0.000 0.424 329 T N 4.193 118.371 114.554 -0.627 0.000 2.840 329 T HA 0.314 4.666 4.350 0.004 0.000 0.287 329 T C 0.357 174.861 174.700 -0.328 0.000 0.991 329 T CA -0.426 61.387 62.100 -0.480 0.000 0.964 329 T CB 1.066 69.853 68.868 -0.135 0.000 0.954 329 T HN 0.720 nan 8.240 nan 0.000 0.438 330 W N 2.474 123.751 121.300 -0.038 0.000 2.494 330 W HA 0.053 4.716 4.660 0.005 0.000 0.286 330 W C 1.389 177.880 176.519 -0.048 0.000 1.218 330 W CA 0.440 57.765 57.345 -0.035 0.000 1.313 330 W CB -0.253 29.231 29.460 0.039 0.000 1.105 330 W HN 0.607 nan 8.180 nan 0.000 0.561 331 T N -3.456 111.194 114.554 0.160 0.000 2.907 331 T HA 0.282 4.635 4.350 0.004 0.000 0.290 331 T C 0.995 175.685 174.700 -0.016 0.000 1.066 331 T CA 0.084 62.208 62.100 0.039 0.000 1.012 331 T CB 2.210 71.052 68.868 -0.044 0.000 1.184 331 T HN -0.058 nan 8.240 nan 0.000 0.522 332 T N -1.650 112.891 114.554 -0.021 0.000 3.072 332 T HA 0.113 4.465 4.350 0.004 0.000 0.266 332 T C 0.998 175.656 174.700 -0.070 0.000 1.127 332 T CA 0.909 62.994 62.100 -0.024 0.000 1.107 332 T CB -0.765 68.104 68.868 0.001 0.000 0.910 332 T HN 1.058 nan 8.240 nan 0.000 0.513 333 T N -1.078 113.408 114.554 -0.112 0.000 3.305 333 T HA 0.489 4.842 4.350 0.004 0.000 0.348 333 T C -2.620 171.952 174.700 -0.214 0.000 1.394 333 T CA -1.436 60.576 62.100 -0.146 0.000 1.549 333 T CB 1.466 70.282 68.868 -0.087 0.000 0.962 333 T HN -0.099 nan 8.240 nan 0.000 0.609 334 P HA -0.038 nan 4.420 nan 0.000 0.225 334 P C 1.379 178.549 177.300 -0.217 0.000 1.148 334 P CA 0.972 63.836 63.100 -0.394 0.000 0.779 334 P CB -0.004 31.123 31.700 -0.954 0.000 0.780 335 T N -5.536 108.887 114.554 -0.218 0.000 3.176 335 T HA 0.271 4.623 4.350 0.004 0.000 0.263 335 T C 0.313 175.021 174.700 0.013 0.000 1.021 335 T CA -0.300 61.729 62.100 -0.118 0.000 0.905 335 T CB -0.326 68.431 68.868 -0.185 0.000 1.057 335 T HN 0.048 nan 8.240 nan 0.000 0.558 336 Q N 0.502 120.356 119.800 0.090 0.000 2.331 336 Q HA 0.303 4.645 4.340 0.004 0.000 0.272 336 Q C -1.233 174.881 176.000 0.191 0.000 1.062 336 Q CA -0.933 54.978 55.803 0.179 0.000 0.806 336 Q CB 1.995 30.785 28.738 0.088 0.000 1.312 336 Q HN 0.538 nan 8.270 nan 0.000 0.431 337 W N 3.438 124.860 121.300 0.204 0.000 2.314 337 W HA 0.140 4.802 4.660 0.004 0.000 0.339 337 W C -0.532 175.997 176.519 0.018 0.000 1.293 337 W CA 1.223 58.617 57.345 0.082 0.000 1.288 337 W CB 0.664 30.319 29.460 0.325 0.000 1.186 337 W HN 0.768 nan 8.180 nan 0.000 0.566 338 S N 3.846 119.002 115.700 -0.906 0.000 2.672 338 S HA 0.188 4.660 4.470 0.004 0.000 0.271 338 S C -0.455 173.703 174.600 -0.736 0.000 1.171 338 S CA -0.785 57.045 58.200 -0.616 0.000 0.817 338 S CB 1.809 64.818 63.200 -0.319 0.000 1.150 338 S HN 0.686 nan 8.310 nan 0.000 0.478 339 H N 0.481 119.337 119.070 -0.357 0.000 2.487 339 H HA 0.347 4.905 4.556 0.004 0.000 0.290 339 H C 1.017 176.329 175.328 -0.026 0.000 1.081 339 H CA -0.073 55.900 56.048 -0.125 0.000 1.116 339 H CB -0.072 29.728 29.762 0.064 0.000 1.560 339 H HN 0.734 nan 8.280 nan 0.000 0.548 340 N N 0.111 118.726 118.700 -0.141 0.000 2.409 340 N HA -0.128 4.614 4.740 0.004 0.000 0.179 340 N C 1.660 177.098 175.510 -0.121 0.000 1.032 340 N CA 0.067 53.069 53.050 -0.080 0.000 0.898 340 N CB 0.033 38.480 38.487 -0.066 0.000 0.971 340 N HN 0.267 nan 8.380 nan 0.000 0.441 341 F N 0.927 120.646 119.950 -0.385 0.000 2.069 341 F HA -0.149 4.381 4.527 0.004 0.000 0.298 341 F C 1.607 177.120 175.800 -0.477 0.000 1.113 341 F CA 1.677 59.392 58.000 -0.475 0.000 1.214 341 F CB -0.522 38.024 39.000 -0.757 0.000 0.978 341 F HN -0.031 nan 8.300 nan 0.000 0.474 342 F N 0.531 120.315 119.950 -0.276 0.000 2.259 342 F HA -0.098 4.431 4.527 0.004 0.000 0.298 342 F C 2.324 177.875 175.800 -0.415 0.000 1.088 342 F CA 1.032 58.807 58.000 -0.375 0.000 1.358 342 F CB -0.454 38.375 39.000 -0.285 0.000 1.040 342 F HN 0.008 nan 8.300 nan 0.000 0.505 343 E N 0.368 120.530 120.200 -0.064 0.000 2.058 343 E HA -0.217 4.136 4.350 0.004 0.000 0.194 343 E C 1.810 178.376 176.600 -0.056 0.000 0.997 343 E CA 1.366 57.770 56.400 0.007 0.000 0.801 343 E CB -0.191 29.576 29.700 0.112 0.000 0.746 343 E HN 0.350 nan 8.360 nan 0.000 0.450 344 N N 0.744 119.424 118.700 -0.033 0.000 2.106 344 N HA -0.133 4.609 4.740 0.004 0.000 0.188 344 N C 1.854 177.496 175.510 0.221 0.000 1.029 344 N CA 0.569 53.717 53.050 0.163 0.000 0.848 344 N CB -0.452 38.166 38.487 0.219 0.000 1.007 344 N HN 0.056 nan 8.380 nan 0.000 0.423 345 L N 0.100 121.226 121.223 -0.162 0.000 2.013 345 L HA -0.090 4.252 4.340 0.004 0.000 0.212 345 L C 1.693 178.467 176.870 -0.160 0.000 1.073 345 L CA 1.691 56.350 54.840 -0.301 0.000 0.753 345 L CB -0.605 40.970 42.059 -0.807 0.000 0.890 345 L HN 0.096 nan 8.230 nan 0.000 0.432 346 F N -1.610 118.291 119.950 -0.082 0.000 2.619 346 F HA 0.162 4.691 4.527 0.004 0.000 0.293 346 F C 2.245 177.983 175.800 -0.103 0.000 1.119 346 F CA 0.465 58.395 58.000 -0.116 0.000 1.445 346 F CB -0.405 38.444 39.000 -0.252 0.000 1.119 346 F HN 0.150 nan 8.300 nan 0.000 0.573 347 G N -1.222 107.561 108.800 -0.029 0.000 2.712 347 G HA2 -0.020 3.943 3.960 0.004 0.000 0.212 347 G HA3 -0.020 3.943 3.960 0.004 0.000 0.212 347 G C -0.158 174.423 174.900 -0.531 0.000 1.142 347 G CA 0.323 45.253 45.100 -0.284 0.000 0.789 347 G HN 0.244 nan 8.290 nan 0.000 0.535 348 Y N -0.493 119.714 120.300 -0.156 0.000 2.570 348 Y HA 0.543 5.095 4.550 0.004 0.000 0.345 348 Y C -0.067 175.546 175.900 -0.479 0.000 1.014 348 Y CA -1.377 56.473 58.100 -0.416 0.000 1.063 348 Y CB 1.496 39.460 38.460 -0.827 0.000 1.272 348 Y HN -0.183 nan 8.280 nan 0.000 0.477 349 E N 0.684 120.734 120.200 -0.251 0.000 2.283 349 E HA 0.196 4.548 4.350 0.004 0.000 0.271 349 E C -1.578 174.779 176.600 -0.405 0.000 1.031 349 E CA -0.532 55.762 56.400 -0.178 0.000 0.868 349 E CB 1.180 30.882 29.700 0.004 0.000 1.094 349 E HN 0.551 nan 8.360 nan 0.000 0.401 350 W N 0.592 122.004 121.300 0.186 0.000 2.632 350 W HA 0.353 5.015 4.660 0.004 0.000 0.328 350 W C 0.268 177.014 176.519 0.377 0.000 1.044 350 W CA -0.648 56.845 57.345 0.247 0.000 1.225 350 W CB 1.359 30.925 29.460 0.177 0.000 1.396 350 W HN 0.369 nan 8.180 nan 0.000 0.499 351 E N 2.508 123.059 120.200 0.585 0.000 2.176 351 E HA 0.387 4.739 4.350 0.004 0.000 0.267 351 E C -1.386 175.300 176.600 0.143 0.000 0.893 351 E CA -1.098 55.497 56.400 0.326 0.000 0.761 351 E CB 1.383 31.164 29.700 0.135 0.000 1.133 351 E HN 0.439 nan 8.360 nan 0.000 0.409 352 L N 4.225 125.277 121.223 -0.285 0.000 2.410 352 L HA 0.330 4.672 4.340 0.004 0.000 0.273 352 L C -0.184 176.461 176.870 -0.374 0.000 1.144 352 L CA 1.046 55.388 54.840 -0.830 0.000 0.863 352 L CB 1.076 42.556 42.059 -0.964 0.000 1.140 352 L HN 0.695 nan 8.230 nan 0.000 0.463 353 T N 4.110 118.463 114.554 -0.335 0.000 2.590 353 T HA 0.567 4.919 4.350 0.004 0.000 0.282 353 T C -1.223 173.389 174.700 -0.147 0.000 0.989 353 T CA -0.683 61.316 62.100 -0.168 0.000 1.091 353 T CB 1.027 69.838 68.868 -0.094 0.000 1.460 353 T HN 0.615 nan 8.240 nan 0.000 0.499 354 K N 1.065 121.397 120.400 -0.113 0.000 2.469 354 K HA 0.557 4.879 4.320 0.004 0.000 0.254 354 K C -0.517 176.019 176.600 -0.106 0.000 0.939 354 K CA -0.798 55.416 56.287 -0.122 0.000 0.812 354 K CB 2.090 34.506 32.500 -0.139 0.000 1.301 354 K HN 0.778 nan 8.250 nan 0.000 0.433 355 S N 0.790 116.424 115.700 -0.111 0.000 2.608 355 S HA 0.193 4.666 4.470 0.004 0.000 0.261 355 S C -1.826 172.708 174.600 -0.111 0.000 1.314 355 S CA -0.842 57.293 58.200 -0.108 0.000 0.992 355 S CB 0.616 63.751 63.200 -0.108 0.000 0.935 355 S HN 0.334 nan 8.310 nan 0.000 0.564 356 P HA 0.042 nan 4.420 nan 0.000 0.221 356 P C 0.902 178.113 177.300 -0.147 0.000 1.145 356 P CA 1.439 64.466 63.100 -0.121 0.000 0.795 356 P CB -0.195 31.426 31.700 -0.131 0.000 0.775 357 A N -1.175 121.558 122.820 -0.145 0.000 2.251 357 A HA 0.472 4.794 4.320 0.004 0.000 0.209 357 A C 1.633 179.145 177.584 -0.120 0.000 1.187 357 A CA 0.657 52.611 52.037 -0.138 0.000 0.823 357 A CB -1.045 17.881 19.000 -0.124 0.000 0.846 357 A HN 0.233 nan 8.150 nan 0.000 0.486 358 G N -1.926 106.798 108.800 -0.128 0.000 2.141 358 G HA2 0.096 4.058 3.960 0.004 0.000 0.242 358 G HA3 0.096 4.058 3.960 0.004 0.000 0.242 358 G C 0.364 175.140 174.900 -0.206 0.000 0.982 358 G CA 0.264 45.274 45.100 -0.151 0.000 0.662 358 G HN 1.558 nan 8.290 nan 0.000 0.527 359 A N 0.690 123.407 122.820 -0.171 0.000 2.327 359 A HA 0.646 4.968 4.320 0.004 0.000 0.283 359 A C 0.515 177.991 177.584 -0.179 0.000 1.127 359 A CA -0.507 51.427 52.037 -0.171 0.000 0.810 359 A CB 0.248 19.203 19.000 -0.076 0.000 1.066 359 A HN 0.430 nan 8.150 nan 0.000 0.492 360 H N 1.736 120.766 119.070 -0.066 0.000 2.886 360 H HA 0.240 4.799 4.556 0.004 0.000 0.329 360 H C 0.428 175.696 175.328 -0.099 0.000 1.044 360 H CA 1.077 57.054 56.048 -0.117 0.000 1.456 360 H CB 0.444 30.149 29.762 -0.095 0.000 1.464 360 H HN 0.797 nan 8.280 nan 0.000 0.573 361 Q N 1.870 121.627 119.800 -0.071 0.000 2.814 361 Q HA 0.404 4.746 4.340 0.004 0.000 0.322 361 Q C -1.714 174.165 176.000 -0.202 0.000 0.861 361 Q CA -1.096 54.696 55.803 -0.017 0.000 0.773 361 Q CB 1.641 30.392 28.738 0.021 0.000 1.423 361 Q HN 0.400 nan 8.270 nan 0.000 0.495 362 W N 0.276 121.593 121.300 0.027 0.000 2.844 362 W HA 0.748 5.410 4.660 0.004 0.000 0.340 362 W C -1.081 175.562 176.519 0.207 0.000 1.093 362 W CA -0.743 56.670 57.345 0.113 0.000 1.212 362 W CB 2.175 31.686 29.460 0.085 0.000 1.422 362 W HN 0.498 nan 8.180 nan 0.000 0.515 363 V N 2.337 122.551 119.914 0.499 0.000 2.876 363 V HA 0.835 4.958 4.120 0.004 0.000 0.312 363 V C -0.545 175.678 176.094 0.215 0.000 1.085 363 V CA -1.154 61.346 62.300 0.334 0.000 0.945 363 V CB 1.660 33.546 31.823 0.105 0.000 1.017 363 V HN 0.688 nan 8.190 nan 0.000 0.428 364 A N 5.780 128.493 122.820 -0.179 0.000 2.451 364 A HA 0.409 4.732 4.320 0.004 0.000 0.266 364 A C 0.258 177.586 177.584 -0.427 0.000 1.119 364 A CA -0.142 51.416 52.037 -0.799 0.000 0.786 364 A CB -0.151 18.037 19.000 -1.354 0.000 1.061 364 A HN 0.820 nan 8.150 nan 0.000 0.503 365 K N 1.723 121.931 120.400 -0.319 0.000 2.416 365 K HA 0.299 4.621 4.320 0.004 0.000 0.283 365 K C 1.189 177.721 176.600 -0.112 0.000 1.037 365 K CA 0.954 57.155 56.287 -0.142 0.000 0.995 365 K CB 0.356 32.811 32.500 -0.074 0.000 0.938 365 K HN 1.364 nan 8.250 nan 0.000 0.475 366 G N 1.657 110.409 108.800 -0.080 0.000 2.166 366 G HA2 -0.336 3.626 3.960 0.004 0.000 0.260 366 G HA3 -0.336 3.626 3.960 0.004 0.000 0.260 366 G C 0.249 175.127 174.900 -0.037 0.000 0.986 366 G CA 0.357 45.432 45.100 -0.041 0.000 0.683 366 G HN 0.821 nan 8.290 nan 0.000 0.527 367 A N -0.292 122.455 122.820 -0.122 0.000 2.351 367 A HA 0.577 4.900 4.320 0.004 0.000 0.257 367 A C 0.433 177.970 177.584 -0.078 0.000 1.087 367 A CA -0.054 51.901 52.037 -0.136 0.000 0.798 367 A CB 0.476 19.142 19.000 -0.556 0.000 1.033 367 A HN 0.258 nan 8.150 nan 0.000 0.488 368 D N 0.458 120.847 120.400 -0.018 0.000 2.357 368 D HA 0.392 5.035 4.640 0.004 0.000 0.242 368 D C 0.376 176.653 176.300 -0.037 0.000 1.153 368 D CA 0.610 54.600 54.000 -0.017 0.000 0.918 368 D CB 1.011 41.819 40.800 0.013 0.000 1.181 368 D HN 0.609 nan 8.370 nan 0.000 0.435 369 A N 1.153 123.953 122.820 -0.034 0.000 2.666 369 A HA 0.293 4.616 4.320 0.004 0.000 0.301 369 A C 1.008 178.577 177.584 -0.026 0.000 1.470 369 A CA -0.405 51.609 52.037 -0.039 0.000 1.159 369 A CB -0.593 18.368 19.000 -0.064 0.000 1.116 369 A HN 0.389 nan 8.150 nan 0.000 0.548 370 V N 0.671 120.582 119.914 -0.005 0.000 3.604 370 V HA 0.346 4.469 4.120 0.004 0.000 0.277 370 V C 0.311 176.421 176.094 0.027 0.000 1.399 370 V CA -0.098 62.210 62.300 0.014 0.000 1.034 370 V CB -0.376 31.469 31.823 0.036 0.000 0.824 370 V HN 0.530 nan 8.190 nan 0.000 0.439 371 I N 4.278 124.875 120.570 0.045 0.000 2.342 371 I HA 0.452 4.625 4.170 0.004 0.000 0.291 371 I C -2.324 173.868 176.117 0.125 0.000 1.010 371 I CA -2.392 58.955 61.300 0.078 0.000 1.308 371 I CB 1.018 39.075 38.000 0.095 0.000 1.400 371 I HN 0.138 nan 8.210 nan 0.000 0.488 372 P HA 0.112 nan 4.420 nan 0.000 0.274 372 P C -0.616 176.892 177.300 0.347 0.000 1.231 372 P CA -0.255 62.952 63.100 0.178 0.000 0.790 372 P CB 1.014 32.806 31.700 0.155 0.000 0.951 373 D N 0.536 121.087 120.400 0.252 0.000 2.341 373 D HA 0.304 4.946 4.640 0.004 0.000 0.245 373 D C 1.301 177.610 176.300 0.015 0.000 1.106 373 D CA -0.319 53.824 54.000 0.238 0.000 0.905 373 D CB 0.751 41.655 40.800 0.173 0.000 1.202 373 D HN 0.288 nan 8.370 nan 0.000 0.426 374 A N 2.447 125.047 122.820 -0.367 0.000 2.066 374 A HA 0.006 4.328 4.320 0.004 0.000 0.218 374 A C 1.121 178.010 177.584 -1.159 0.000 1.157 374 A CA 0.933 52.205 52.037 -1.275 0.000 0.670 374 A CB -0.339 17.847 19.000 -1.357 0.000 0.804 374 A HN 0.649 nan 8.150 nan 0.000 0.453 375 F N -1.817 118.000 119.950 -0.221 0.000 2.815 375 F HA 0.245 4.774 4.527 0.004 0.000 0.328 375 F C 0.146 175.902 175.800 -0.073 0.000 0.982 375 F CA -0.512 57.401 58.000 -0.145 0.000 1.154 375 F CB 0.727 39.635 39.000 -0.152 0.000 0.980 375 F HN 0.019 nan 8.300 nan 0.000 0.603 376 D N 2.330 122.790 120.400 0.100 0.000 2.441 376 D HA 0.245 4.888 4.640 0.004 0.000 0.231 376 D C -1.941 174.377 176.300 0.030 0.000 1.073 376 D CA -2.449 51.588 54.000 0.062 0.000 0.850 376 D CB 1.831 42.665 40.800 0.057 0.000 1.062 376 D HN -0.084 nan 8.370 nan 0.000 0.524 377 P HA -0.114 nan 4.420 nan 0.000 0.225 377 P C 1.069 178.370 177.300 0.001 0.000 1.148 377 P CA 0.683 63.791 63.100 0.014 0.000 0.779 377 P CB 0.152 31.860 31.700 0.014 0.000 0.780 378 S N -1.893 113.804 115.700 -0.005 0.000 2.527 378 S HA 0.058 4.530 4.470 0.004 0.000 0.222 378 S C 0.826 175.399 174.600 -0.046 0.000 0.985 378 S CA 0.008 58.196 58.200 -0.020 0.000 0.921 378 S CB -0.523 62.668 63.200 -0.015 0.000 0.772 378 S HN 0.113 nan 8.310 nan 0.000 0.529 379 K N 1.207 121.571 120.400 -0.060 0.000 2.164 379 K HA 0.536 4.858 4.320 0.004 0.000 0.258 379 K C -0.557 175.905 176.600 -0.229 0.000 0.951 379 K CA -0.701 55.495 56.287 -0.151 0.000 0.844 379 K CB 1.176 33.593 32.500 -0.139 0.000 1.099 379 K HN 0.029 nan 8.250 nan 0.000 0.435 380 K N 1.833 122.021 120.400 -0.353 0.000 2.443 380 K HA 0.469 4.791 4.320 0.004 0.000 0.251 380 K C -0.729 175.543 176.600 -0.546 0.000 0.972 380 K CA -0.853 55.238 56.287 -0.327 0.000 0.833 380 K CB 2.011 34.431 32.500 -0.133 0.000 1.317 380 K HN 0.621 nan 8.250 nan 0.000 0.441 381 H N 0.639 119.704 119.070 -0.009 0.000 2.865 381 H HA 0.358 4.916 4.556 0.004 0.000 0.372 381 H C -0.108 175.193 175.328 -0.045 0.000 1.173 381 H CA -0.816 55.216 56.048 -0.027 0.000 1.147 381 H CB 1.833 31.578 29.762 -0.027 0.000 1.805 381 H HN 0.252 nan 8.280 nan 0.000 0.553 382 R N 1.307 121.845 120.500 0.064 0.000 2.641 382 R HA 0.168 4.510 4.340 0.004 0.000 0.269 382 R C -2.292 173.984 176.300 -0.038 0.000 1.074 382 R CA -1.480 54.595 56.100 -0.043 0.000 1.133 382 R CB -0.082 30.168 30.300 -0.083 0.000 1.029 382 R HN 0.291 nan 8.270 nan 0.000 0.488 383 P HA -0.030 nan 4.420 nan 0.000 0.266 383 P C -0.670 176.708 177.300 0.129 0.000 1.195 383 P CA 0.410 63.496 63.100 -0.023 0.000 0.768 383 P CB 0.700 32.314 31.700 -0.144 0.000 0.838 384 T N -0.084 114.559 114.554 0.147 0.000 2.883 384 T HA 0.835 5.188 4.350 0.004 0.000 0.296 384 T C -0.670 174.000 174.700 -0.050 0.000 1.117 384 T CA -0.848 61.335 62.100 0.138 0.000 1.006 384 T CB 1.231 70.073 68.868 -0.044 0.000 1.191 384 T HN 0.112 nan 8.240 nan 0.000 0.508 385 M N 1.560 121.091 119.600 -0.116 0.000 2.520 385 M HA 0.459 4.941 4.480 0.004 0.000 0.283 385 M C -1.205 175.111 176.300 0.027 0.000 1.237 385 M CA -0.696 54.479 55.300 -0.208 0.000 0.885 385 M CB 2.304 34.408 32.600 -0.826 0.000 1.727 385 M HN 0.693 nan 8.290 nan 0.000 0.468 386 L N 0.792 122.098 121.223 0.138 0.000 2.418 386 L HA 0.357 4.699 4.340 0.004 0.000 0.265 386 L C 1.533 178.487 176.870 0.140 0.000 1.143 386 L CA -0.257 54.716 54.840 0.220 0.000 0.809 386 L CB 0.578 42.802 42.059 0.275 0.000 1.124 386 L HN 0.784 nan 8.230 nan 0.000 0.456 387 T N -0.479 114.250 114.554 0.291 0.000 2.653 387 T HA -0.226 4.126 4.350 0.004 0.000 0.268 387 T C 1.768 176.482 174.700 0.023 0.000 1.035 387 T CA 2.321 64.520 62.100 0.166 0.000 1.154 387 T CB -0.314 68.756 68.868 0.336 0.000 0.862 387 T HN 0.935 nan 8.240 nan 0.000 0.441 388 T N 0.345 114.961 114.554 0.103 0.000 2.962 388 T HA -0.088 4.265 4.350 0.004 0.000 0.270 388 T C 1.474 176.185 174.700 0.018 0.000 1.088 388 T CA 1.032 63.180 62.100 0.081 0.000 1.127 388 T CB -0.272 68.684 68.868 0.147 0.000 0.883 388 T HN 0.273 nan 8.240 nan 0.000 0.493 389 D N 1.784 122.207 120.400 0.038 0.000 2.097 389 D HA 0.026 4.669 4.640 0.004 0.000 0.197 389 D C 2.183 178.378 176.300 -0.175 0.000 0.984 389 D CA 0.800 54.803 54.000 0.006 0.000 0.826 389 D CB -0.301 40.551 40.800 0.087 0.000 0.973 389 D HN 0.363 nan 8.370 nan 0.000 0.460 390 L N 1.080 122.124 121.223 -0.298 0.000 2.191 390 L HA -0.140 4.202 4.340 0.004 0.000 0.212 390 L C 2.406 179.217 176.870 -0.098 0.000 1.103 390 L CA 0.624 55.268 54.840 -0.327 0.000 0.769 390 L CB -0.449 41.310 42.059 -0.500 0.000 0.908 390 L HN -0.056 nan 8.230 nan 0.000 0.438 391 S N 0.480 116.155 115.700 -0.042 0.000 2.402 391 S HA -0.174 4.298 4.470 0.004 0.000 0.233 391 S C 1.897 176.545 174.600 0.081 0.000 1.030 391 S CA 1.237 59.476 58.200 0.066 0.000 1.003 391 S CB -0.315 62.940 63.200 0.091 0.000 0.813 391 S HN 0.396 nan 8.310 nan 0.000 0.477 392 L N 0.472 121.657 121.223 -0.064 0.000 2.376 392 L HA 0.030 4.372 4.340 0.004 0.000 0.219 392 L C 2.555 179.373 176.870 -0.086 0.000 1.133 392 L CA 0.948 55.742 54.840 -0.077 0.000 0.816 392 L CB -0.356 41.645 42.059 -0.097 0.000 0.933 392 L HN 0.260 nan 8.230 nan 0.000 0.449 393 R N -0.349 119.979 120.500 -0.286 0.000 2.195 393 R HA 0.040 4.382 4.340 0.004 0.000 0.197 393 R C 1.785 177.789 176.300 -0.493 0.000 0.990 393 R CA 0.547 56.340 56.100 -0.512 0.000 1.048 393 R CB 0.118 29.811 30.300 -1.011 0.000 0.997 393 R HN 0.163 nan 8.270 nan 0.000 0.502 394 F N 0.703 120.633 119.950 -0.034 0.000 2.731 394 F HA 0.196 4.726 4.527 0.004 0.000 0.298 394 F C 0.620 176.417 175.800 -0.004 0.000 1.106 394 F CA -0.408 57.577 58.000 -0.024 0.000 1.329 394 F CB 0.409 39.362 39.000 -0.078 0.000 1.100 394 F HN -0.019 nan 8.300 nan 0.000 0.592 395 D N 1.943 122.424 120.400 0.135 0.000 2.348 395 D HA 0.051 4.693 4.640 0.004 0.000 0.253 395 D C -1.934 174.370 176.300 0.006 0.000 1.161 395 D CA -1.621 52.405 54.000 0.044 0.000 0.876 395 D CB 1.769 42.556 40.800 -0.021 0.000 1.160 395 D HN -0.014 nan 8.370 nan 0.000 0.459 396 P HA -0.137 nan 4.420 nan 0.000 0.215 396 P C 0.959 178.233 177.300 -0.044 0.000 1.153 396 P CA 1.421 64.511 63.100 -0.018 0.000 0.853 396 P CB 0.182 31.870 31.700 -0.020 0.000 0.788 397 A N -1.702 121.055 122.820 -0.107 0.000 1.898 397 A HA -0.183 4.139 4.320 0.004 0.000 0.216 397 A C 2.187 179.748 177.584 -0.037 0.000 1.181 397 A CA 1.235 53.206 52.037 -0.111 0.000 0.620 397 A CB -1.821 17.070 19.000 -0.182 0.000 0.819 397 A HN 0.197 nan 8.150 nan 0.000 0.442 398 Y N -0.593 119.672 120.300 -0.057 0.000 2.224 398 Y HA -0.189 4.363 4.550 0.004 0.000 0.289 398 Y C 2.684 178.536 175.900 -0.080 0.000 1.146 398 Y CA 0.862 58.916 58.100 -0.077 0.000 1.182 398 Y CB 0.037 38.455 38.460 -0.071 0.000 0.983 398 Y HN 0.361 nan 8.280 nan 0.000 0.524 399 E N 1.452 121.715 120.200 0.104 0.000 2.118 399 E HA -0.225 4.127 4.350 0.004 0.000 0.195 399 E C 1.682 178.288 176.600 0.010 0.000 0.992 399 E CA 1.392 57.838 56.400 0.078 0.000 0.804 399 E CB -0.015 29.715 29.700 0.049 0.000 0.741 399 E HN 0.504 nan 8.360 nan 0.000 0.458 400 K N -0.026 120.351 120.400 -0.038 0.000 2.057 400 K HA -0.080 4.242 4.320 0.004 0.000 0.206 400 K C 2.402 178.898 176.600 -0.172 0.000 1.050 400 K CA 1.318 57.548 56.287 -0.095 0.000 0.935 400 K CB -0.131 32.324 32.500 -0.076 0.000 0.715 400 K HN 0.164 nan 8.250 nan 0.000 0.439 401 I N 0.946 121.397 120.570 -0.199 0.000 2.179 401 I HA -0.283 3.890 4.170 0.004 0.000 0.242 401 I C 2.272 178.017 176.117 -0.620 0.000 1.088 401 I CA 1.146 62.185 61.300 -0.434 0.000 1.357 401 I CB -0.298 37.479 38.000 -0.372 0.000 1.051 401 I HN 0.040 nan 8.210 nan 0.000 0.409 402 S N 0.509 115.992 115.700 -0.361 0.000 2.370 402 S HA -0.167 4.306 4.470 0.004 0.000 0.226 402 S C 2.104 176.457 174.600 -0.411 0.000 1.033 402 S CA 1.149 59.084 58.200 -0.442 0.000 1.011 402 S CB -0.297 62.889 63.200 -0.023 0.000 0.852 402 S HN 0.318 nan 8.310 nan 0.000 0.457 403 R N 0.991 121.350 120.500 -0.235 0.000 2.081 403 R HA -0.024 4.319 4.340 0.004 0.000 0.235 403 R C 2.498 178.658 176.300 -0.233 0.000 1.131 403 R CA 1.259 57.150 56.100 -0.348 0.000 0.960 403 R CB -0.564 29.525 30.300 -0.351 0.000 0.856 403 R HN 0.412 nan 8.270 nan 0.000 0.436 404 R N 0.096 120.457 120.500 -0.232 0.000 2.073 404 R HA -0.078 4.265 4.340 0.004 0.000 0.234 404 R C 2.298 178.618 176.300 0.034 0.000 1.134 404 R CA 1.442 57.462 56.100 -0.133 0.000 0.952 404 R CB -0.350 29.845 30.300 -0.176 0.000 0.850 404 R HN 0.190 nan 8.270 nan 0.000 0.433 405 F N -0.672 119.190 119.950 -0.147 0.000 2.171 405 F HA -0.256 4.273 4.527 0.004 0.000 0.300 405 F C 2.624 178.453 175.800 0.048 0.000 1.090 405 F CA 1.135 59.088 58.000 -0.078 0.000 1.293 405 F CB -0.376 38.417 39.000 -0.345 0.000 1.013 405 F HN 0.340 nan 8.300 nan 0.000 0.486 406 H N 0.606 119.632 119.070 -0.073 0.000 2.353 406 H HA -0.149 4.409 4.556 0.004 0.000 0.300 406 H C 1.719 177.133 175.328 0.143 0.000 1.090 406 H CA 1.751 57.922 56.048 0.205 0.000 1.327 406 H CB 0.074 29.831 29.762 -0.009 0.000 1.383 406 H HN 0.346 nan 8.280 nan 0.000 0.508 407 E N -0.140 120.000 120.200 -0.101 0.000 2.299 407 E HA -0.001 4.351 4.350 0.004 0.000 0.193 407 E C 0.026 176.574 176.600 -0.086 0.000 0.998 407 E CA 0.204 56.497 56.400 -0.179 0.000 0.851 407 E CB 0.356 29.963 29.700 -0.154 0.000 0.795 407 E HN 0.415 nan 8.360 nan 0.000 0.492 408 N N 0.873 119.584 118.700 0.017 0.000 2.791 408 N HA 0.120 4.863 4.740 0.004 0.000 0.265 408 N C -2.386 173.207 175.510 0.138 0.000 1.580 408 N CA -1.003 52.087 53.050 0.067 0.000 0.809 408 N CB 1.467 40.023 38.487 0.114 0.000 1.178 408 N HN -0.052 nan 8.380 nan 0.000 0.499 409 P HA -0.204 nan 4.420 nan 0.000 0.216 409 P C 1.622 179.075 177.300 0.255 0.000 1.150 409 P CA 1.337 64.469 63.100 0.053 0.000 0.843 409 P CB 0.361 31.930 31.700 -0.218 0.000 0.787 410 E N 0.671 120.969 120.200 0.163 0.000 2.153 410 E HA -0.238 4.114 4.350 0.004 0.000 0.194 410 E C 1.766 178.468 176.600 0.171 0.000 0.988 410 E CA 1.461 57.955 56.400 0.156 0.000 0.811 410 E CB -1.119 28.640 29.700 0.100 0.000 0.746 410 E HN 0.369 nan 8.360 nan 0.000 0.466 411 Q N -0.568 119.356 119.800 0.208 0.000 2.119 411 Q HA -0.078 4.264 4.340 0.004 0.000 0.201 411 Q C 2.047 178.151 176.000 0.174 0.000 0.972 411 Q CA 1.373 57.319 55.803 0.239 0.000 0.847 411 Q CB -0.312 28.626 28.738 0.333 0.000 0.903 411 Q HN 0.290 nan 8.270 nan 0.000 0.433 412 F N 1.467 121.372 119.950 -0.075 0.000 2.075 412 F HA -0.163 4.367 4.527 0.003 0.000 0.297 412 F C 2.139 177.932 175.800 -0.012 0.000 1.113 412 F CA 1.368 59.078 58.000 -0.484 0.000 1.218 412 F CB -0.809 38.157 39.000 -0.056 0.000 0.984 412 F HN -0.008 nan 8.300 nan 0.000 0.472 413 A N -0.169 122.701 122.820 0.082 0.000 1.917 413 A HA -0.284 4.038 4.320 0.004 0.000 0.219 413 A C 1.992 179.610 177.584 0.058 0.000 1.182 413 A CA 2.241 54.343 52.037 0.108 0.000 0.633 413 A CB -1.362 17.747 19.000 0.182 0.000 0.819 413 A HN 0.521 nan 8.150 nan 0.000 0.448 414 D N -0.705 119.726 120.400 0.052 0.000 2.117 414 D HA 0.041 4.684 4.640 0.004 0.000 0.198 414 D C 2.054 178.391 176.300 0.062 0.000 0.982 414 D CA 1.513 55.543 54.000 0.051 0.000 0.828 414 D CB -0.214 40.632 40.800 0.077 0.000 0.967 414 D HN 0.329 nan 8.370 nan 0.000 0.464 415 A N -0.329 122.537 122.820 0.077 0.000 1.902 415 A HA -0.103 4.220 4.320 0.004 0.000 0.217 415 A C 2.270 179.953 177.584 0.165 0.000 1.181 415 A CA 1.110 53.222 52.037 0.125 0.000 0.623 415 A CB -1.232 17.876 19.000 0.180 0.000 0.818 415 A HN 0.480 nan 8.150 nan 0.000 0.443 416 F N 0.652 120.571 119.950 -0.051 0.000 2.146 416 F HA -0.062 4.467 4.527 0.004 0.000 0.298 416 F C 2.542 178.417 175.800 0.124 0.000 1.096 416 F CA 1.107 59.084 58.000 -0.040 0.000 1.275 416 F CB -0.082 38.735 39.000 -0.306 0.000 1.008 416 F HN 0.288 nan 8.300 nan 0.000 0.480 417 A N 0.956 123.829 122.820 0.088 0.000 1.883 417 A HA -0.215 4.108 4.320 0.004 0.000 0.217 417 A C 2.191 179.798 177.584 0.037 0.000 1.186 417 A CA 1.827 53.913 52.037 0.082 0.000 0.624 417 A CB -0.776 18.254 19.000 0.049 0.000 0.822 417 A HN 0.463 nan 8.150 nan 0.000 0.444 418 R N -0.666 119.766 120.500 -0.113 0.000 2.081 418 R HA -0.053 4.290 4.340 0.004 0.000 0.235 418 R C 2.479 178.772 176.300 -0.012 0.000 1.131 418 R CA 1.242 57.167 56.100 -0.292 0.000 0.960 418 R CB -0.448 29.682 30.300 -0.283 0.000 0.856 418 R HN 0.511 nan 8.270 nan 0.000 0.436 419 A N 0.841 123.698 122.820 0.063 0.000 1.930 419 A HA -0.178 4.144 4.320 0.004 0.000 0.217 419 A C 1.879 179.519 177.584 0.093 0.000 1.175 419 A CA 0.822 52.908 52.037 0.083 0.000 0.627 419 A CB -0.863 18.242 19.000 0.176 0.000 0.815 419 A HN 0.616 nan 8.150 nan 0.000 0.443 420 W N -0.371 120.883 121.300 -0.076 0.000 2.358 420 W HA -0.232 4.430 4.660 0.004 0.000 0.303 420 W C 1.816 178.375 176.519 0.067 0.000 1.208 420 W CA 1.777 59.073 57.345 -0.082 0.000 1.274 420 W CB -0.430 28.825 29.460 -0.342 0.000 1.138 420 W HN 0.405 nan 8.180 nan 0.000 0.515 421 F N 2.050 122.039 119.950 0.063 0.000 2.102 421 F HA -0.190 4.339 4.527 0.003 0.000 0.298 421 F C 2.647 178.427 175.800 -0.034 0.000 1.105 421 F CA 2.734 60.785 58.000 0.085 0.000 1.239 421 F CB -0.814 38.318 39.000 0.219 0.000 0.991 421 F HN -0.228 nan 8.300 nan 0.000 0.474 422 K N 0.221 120.462 120.400 -0.264 0.000 2.026 422 K HA -0.224 4.098 4.320 0.004 0.000 0.208 422 K C 2.199 178.349 176.600 -0.750 0.000 1.048 422 K CA 1.696 57.419 56.287 -0.941 0.000 0.929 422 K CB -0.663 31.237 32.500 -1.000 0.000 0.713 422 K HN 0.345 nan 8.250 nan 0.000 0.439 423 L N 1.464 122.412 121.223 -0.457 0.000 1.997 423 L HA -0.223 4.119 4.340 0.004 0.000 0.216 423 L C 2.158 178.752 176.870 -0.461 0.000 1.074 423 L CA 2.813 57.437 54.840 -0.359 0.000 0.763 423 L CB -1.086 40.836 42.059 -0.230 0.000 0.890 423 L HN 0.488 nan 8.230 nan 0.000 0.434 424 T N -5.296 108.923 114.554 -0.557 0.000 3.100 424 T HA 0.027 4.379 4.350 0.004 0.000 0.253 424 T C 1.015 175.270 174.700 -0.741 0.000 1.118 424 T CA 0.978 62.717 62.100 -0.602 0.000 1.058 424 T CB -0.469 67.996 68.868 -0.673 0.000 0.953 424 T HN 0.569 nan 8.240 nan 0.000 0.515 425 H N 0.144 118.824 119.070 -0.651 0.000 3.233 425 H HA 0.343 4.901 4.556 0.004 0.000 0.263 425 H C 2.091 177.191 175.328 -0.380 0.000 1.168 425 H CA -0.352 55.349 56.048 -0.579 0.000 1.159 425 H CB 0.282 29.583 29.762 -0.769 0.000 1.593 425 H HN 0.330 nan 8.280 nan 0.000 0.580 426 R N 0.993 121.208 120.500 -0.475 0.000 2.193 426 R HA -0.091 4.252 4.340 0.004 0.000 0.229 426 R C 0.092 176.162 176.300 -0.383 0.000 1.110 426 R CA 1.761 57.581 56.100 -0.467 0.000 0.988 426 R CB -0.163 29.704 30.300 -0.721 0.000 0.871 426 R HN 0.293 nan 8.270 nan 0.000 0.458 427 D N -0.109 120.033 120.400 -0.431 0.000 2.395 427 D HA 0.022 4.664 4.640 0.004 0.000 0.213 427 D C 1.435 177.642 176.300 -0.154 0.000 1.110 427 D CA -0.069 53.762 54.000 -0.281 0.000 0.835 427 D CB 0.055 40.689 40.800 -0.276 0.000 0.965 427 D HN 0.237 nan 8.370 nan 0.000 0.505 428 M N 0.304 119.827 119.600 -0.128 0.000 2.506 428 M HA 0.199 4.681 4.480 0.004 0.000 0.260 428 M C 1.041 177.315 176.300 -0.044 0.000 1.104 428 M CA 0.879 56.112 55.300 -0.111 0.000 1.112 428 M CB 0.162 32.652 32.600 -0.184 0.000 1.401 428 M HN 0.299 nan 8.290 nan 0.000 0.473 429 G N 0.834 109.646 108.800 0.019 0.000 2.568 429 G HA2 -0.179 3.783 3.960 0.004 0.000 0.222 429 G HA3 -0.179 3.783 3.960 0.004 0.000 0.222 429 G C -2.860 172.035 174.900 -0.008 0.000 1.321 429 G CA -1.189 43.894 45.100 -0.028 0.000 0.893 429 G HN 0.155 nan 8.290 nan 0.000 0.569 430 P HA 0.293 nan 4.420 nan 0.000 0.269 430 P C 0.989 178.148 177.300 -0.234 0.000 1.209 430 P CA -0.093 62.947 63.100 -0.100 0.000 0.776 430 P CB 0.318 32.036 31.700 0.031 0.000 0.876 431 R N 2.327 122.572 120.500 -0.425 0.000 2.211 431 R HA -0.183 4.160 4.340 0.004 0.000 0.240 431 R C 1.917 178.012 176.300 -0.343 0.000 1.144 431 R CA 1.585 57.233 56.100 -0.753 0.000 0.992 431 R CB -0.831 29.104 30.300 -0.609 0.000 0.869 431 R HN 0.521 nan 8.270 nan 0.000 0.462 432 A N 1.239 123.968 122.820 -0.152 0.000 2.076 432 A HA -0.166 4.157 4.320 0.004 0.000 0.220 432 A C 1.846 179.433 177.584 0.004 0.000 1.160 432 A CA 1.121 53.136 52.037 -0.035 0.000 0.653 432 A CB -0.275 18.751 19.000 0.044 0.000 0.801 432 A HN 0.264 nan 8.150 nan 0.000 0.455 433 R N -1.860 118.625 120.500 -0.025 0.000 2.275 433 R HA 0.039 4.382 4.340 0.004 0.000 0.199 433 R C -0.477 175.898 176.300 0.124 0.000 0.989 433 R CA -0.011 56.083 56.100 -0.010 0.000 1.016 433 R CB -0.087 30.101 30.300 -0.187 0.000 0.918 433 R HN 0.488 nan 8.270 nan 0.000 0.473 434 Y N 1.484 121.729 120.300 -0.092 0.000 2.402 434 Y HA 0.198 4.751 4.550 0.005 0.000 0.333 434 Y C 0.560 176.429 175.900 -0.052 0.000 1.076 434 Y CA -0.600 57.455 58.100 -0.074 0.000 1.299 434 Y CB 0.295 38.740 38.460 -0.025 0.000 1.197 434 Y HN -0.126 nan 8.280 nan 0.000 0.517 435 L N 2.360 123.604 121.223 0.035 0.000 2.333 435 L HA 0.886 5.229 4.340 0.004 0.000 0.269 435 L C 0.551 177.569 176.870 0.247 0.000 1.010 435 L CA -0.886 54.013 54.840 0.099 0.000 0.818 435 L CB 1.910 43.991 42.059 0.036 0.000 1.306 435 L HN 0.805 nan 8.230 nan 0.000 0.430 436 G N 1.842 110.824 108.800 0.303 0.000 2.655 436 G HA2 -0.115 3.848 3.960 0.004 0.000 0.680 436 G HA3 -0.115 3.848 3.960 0.004 0.000 0.680 436 G C -2.433 172.572 174.900 0.176 0.000 1.302 436 G CA -0.292 44.995 45.100 0.312 0.000 0.872 436 G HN 0.537 nan 8.290 nan 0.000 0.540 437 P HA 0.177 nan 4.420 nan 0.000 0.249 437 P C 0.650 177.996 177.300 0.076 0.000 1.229 437 P CA 0.875 64.019 63.100 0.074 0.000 0.788 437 P CB 0.343 32.065 31.700 0.037 0.000 1.072 438 E N -0.183 120.101 120.200 0.141 0.000 2.465 438 E HA 0.137 4.490 4.350 0.004 0.000 0.195 438 E C -0.143 176.506 176.600 0.082 0.000 1.028 438 E CA -0.248 56.224 56.400 0.120 0.000 0.899 438 E CB 0.708 30.542 29.700 0.222 0.000 1.032 438 E HN 0.033 nan 8.360 nan 0.000 0.468 439 V N 3.951 123.912 119.914 0.079 0.000 2.521 439 V HA 0.056 4.179 4.120 0.004 0.000 0.286 439 V C -1.959 174.096 176.094 -0.065 0.000 1.034 439 V CA -1.293 61.052 62.300 0.075 0.000 1.045 439 V CB 0.019 31.929 31.823 0.146 0.000 0.974 439 V HN 0.097 nan 8.190 nan 0.000 0.480 440 P HA 0.179 nan 4.420 nan 0.000 0.268 440 P C 0.513 177.688 177.300 -0.208 0.000 1.204 440 P CA -0.102 62.775 63.100 -0.372 0.000 0.768 440 P CB 0.964 32.252 31.700 -0.687 0.000 0.842 441 A N 2.837 125.537 122.820 -0.200 0.000 1.969 441 A HA -0.131 4.192 4.320 0.004 0.000 0.218 441 A C 1.071 178.589 177.584 -0.110 0.000 1.169 441 A CA 0.679 52.637 52.037 -0.130 0.000 0.635 441 A CB -0.788 18.144 19.000 -0.114 0.000 0.810 441 A HN 0.659 nan 8.150 nan 0.000 0.445 442 E N 0.591 120.724 120.200 -0.113 0.000 2.417 442 E HA 0.251 4.603 4.350 0.004 0.000 0.261 442 E C -1.026 175.551 176.600 -0.037 0.000 1.000 442 E CA -0.303 56.076 56.400 -0.035 0.000 0.919 442 E CB 0.491 30.233 29.700 0.071 0.000 0.955 442 E HN 0.140 nan 8.360 nan 0.000 0.455 443 V N 6.718 126.594 119.914 -0.064 0.000 2.461 443 V HA 0.201 4.323 4.120 0.004 0.000 0.275 443 V C 0.264 176.276 176.094 -0.137 0.000 1.047 443 V CA -0.262 61.965 62.300 -0.123 0.000 0.955 443 V CB 0.743 32.497 31.823 -0.116 0.000 0.988 443 V HN 0.560 nan 8.190 nan 0.000 0.471 444 L N 4.613 125.669 121.223 -0.280 0.000 2.334 444 L HA 0.392 4.735 4.340 0.004 0.000 0.276 444 L C 0.951 177.563 176.870 -0.430 0.000 1.014 444 L CA -0.720 53.900 54.840 -0.367 0.000 0.815 444 L CB 1.597 43.286 42.059 -0.617 0.000 1.268 444 L HN 0.477 nan 8.230 nan 0.000 0.428 445 L N 3.168 124.268 121.223 -0.206 0.000 2.079 445 L HA -0.175 4.167 4.340 0.004 0.000 0.210 445 L C 2.089 178.929 176.870 -0.050 0.000 1.081 445 L CA 1.917 56.711 54.840 -0.077 0.000 0.752 445 L CB -0.525 41.563 42.059 0.047 0.000 0.896 445 L HN 0.772 nan 8.230 nan 0.000 0.433 446 W N -1.136 120.197 121.300 0.054 0.000 2.721 446 W HA -0.082 4.580 4.660 0.003 0.000 0.245 446 W C 1.245 177.789 176.519 0.041 0.000 1.276 446 W CA 0.204 57.579 57.345 0.050 0.000 1.342 446 W CB -1.183 28.307 29.460 0.050 0.000 1.135 446 W HN 0.355 nan 8.180 nan 0.000 0.654 447 Q N 1.005 120.581 119.800 -0.372 0.000 2.444 447 Q HA -0.047 4.295 4.340 0.004 0.000 0.206 447 Q C -0.294 175.643 176.000 -0.106 0.000 0.948 447 Q CA 0.376 56.016 55.803 -0.272 0.000 0.946 447 Q CB -0.369 28.049 28.738 -0.532 0.000 1.027 447 Q HN 0.055 nan 8.270 nan 0.000 0.513 448 D N 1.504 121.878 120.400 -0.044 0.000 2.740 448 D HA -0.131 4.511 4.640 0.004 0.000 0.231 448 D C -2.404 173.870 176.300 -0.043 0.000 1.194 448 D CA 0.525 54.519 54.000 -0.010 0.000 0.673 448 D CB -0.752 40.072 40.800 0.039 0.000 0.995 448 D HN 0.302 nan 8.370 nan 0.000 0.411 449 P HA 0.164 nan 4.420 nan 0.000 0.269 449 P C 0.391 177.659 177.300 -0.054 0.000 1.209 449 P CA -0.029 63.016 63.100 -0.092 0.000 0.776 449 P CB 0.903 32.534 31.700 -0.115 0.000 0.876 450 I N 3.436 123.975 120.570 -0.053 0.000 2.436 450 I HA 0.281 4.453 4.170 0.004 0.000 0.289 450 I C -2.066 174.028 176.117 -0.038 0.000 1.010 450 I CA -2.618 58.662 61.300 -0.033 0.000 1.098 450 I CB 1.771 39.759 38.000 -0.020 0.000 1.266 450 I HN 0.158 nan 8.210 nan 0.000 0.434 451 P HA 0.114 nan 4.420 nan 0.000 0.267 451 P C -0.395 176.887 177.300 -0.029 0.000 1.200 451 P CA -0.296 62.789 63.100 -0.025 0.000 0.772 451 P CB 0.515 32.212 31.700 -0.006 0.000 0.855 452 A N 2.681 125.480 122.820 -0.036 0.000 2.498 452 A HA 0.186 4.509 4.320 0.004 0.000 0.239 452 A C 0.157 177.710 177.584 -0.052 0.000 1.068 452 A CA -0.317 51.692 52.037 -0.047 0.000 0.766 452 A CB -0.155 18.817 19.000 -0.047 0.000 1.003 452 A HN 0.410 nan 8.150 nan 0.000 0.497 453 V N 3.013 122.871 119.914 -0.093 0.000 2.521 453 V HA 0.132 4.254 4.120 0.004 0.000 0.286 453 V C 0.479 176.468 176.094 -0.174 0.000 1.034 453 V CA 0.750 62.938 62.300 -0.186 0.000 1.045 453 V CB 0.957 32.616 31.823 -0.272 0.000 0.974 453 V HN 1.025 nan 8.190 nan 0.000 0.480 454 D N 2.183 122.497 120.400 -0.142 0.000 2.535 454 D HA 0.143 4.785 4.640 0.004 0.000 0.229 454 D C 0.071 176.381 176.300 0.016 0.000 1.238 454 D CA -0.231 53.745 54.000 -0.040 0.000 0.824 454 D CB -0.039 40.778 40.800 0.029 0.000 1.045 454 D HN 0.791 nan 8.370 nan 0.000 0.500 455 H N -2.975 116.100 119.070 0.009 0.000 2.985 455 H HA 0.741 5.300 4.556 0.004 0.000 0.360 455 H C -3.020 172.321 175.328 0.021 0.000 1.221 455 H CA -2.167 53.891 56.048 0.016 0.000 1.121 455 H CB -0.038 29.739 29.762 0.024 0.000 1.854 455 H HN -0.339 nan 8.280 nan 0.000 0.551 456 P HA 0.054 nan 4.420 nan 0.000 0.265 456 P C -0.376 177.066 177.300 0.238 0.000 1.193 456 P CA -0.003 63.179 63.100 0.138 0.000 0.765 456 P CB 0.584 32.354 31.700 0.117 0.000 0.823 457 L N 3.150 124.448 121.223 0.126 0.000 2.421 457 L HA 0.397 4.739 4.340 0.004 0.000 0.263 457 L C 1.054 178.020 176.870 0.160 0.000 1.122 457 L CA -1.184 53.746 54.840 0.150 0.000 0.804 457 L CB 0.356 42.449 42.059 0.056 0.000 1.150 457 L HN 0.367 nan 8.230 nan 0.000 0.457 458 I N -1.223 119.456 120.570 0.180 0.000 2.813 458 I HA 0.120 4.292 4.170 0.004 0.000 0.287 458 I C -0.155 176.044 176.117 0.137 0.000 1.196 458 I CA -0.568 60.837 61.300 0.175 0.000 1.421 458 I CB 0.292 38.367 38.000 0.125 0.000 1.365 458 I HN 0.563 nan 8.210 nan 0.000 0.591 459 D N 4.199 124.676 120.400 0.129 0.000 2.564 459 D HA 0.510 5.152 4.640 0.004 0.000 0.273 459 D C 0.928 177.288 176.300 0.101 0.000 1.192 459 D CA -0.328 53.731 54.000 0.099 0.000 1.080 459 D CB 0.923 41.772 40.800 0.081 0.000 1.160 459 D HN 0.598 nan 8.370 nan 0.000 0.607 460 A N -0.326 122.543 122.820 0.082 0.000 1.933 460 A HA 0.083 4.405 4.320 0.004 0.000 0.218 460 A C 2.135 179.759 177.584 0.066 0.000 1.175 460 A CA 2.261 54.344 52.037 0.077 0.000 0.628 460 A CB -1.396 17.641 19.000 0.061 0.000 0.814 460 A HN 0.654 nan 8.150 nan 0.000 0.444 461 A N 0.305 123.165 122.820 0.068 0.000 1.877 461 A HA -0.198 4.125 4.320 0.004 0.000 0.216 461 A C 1.772 179.406 177.584 0.085 0.000 1.186 461 A CA 1.844 53.922 52.037 0.067 0.000 0.620 461 A CB -0.594 18.446 19.000 0.067 0.000 0.822 461 A HN 0.474 nan 8.150 nan 0.000 0.443 462 D N 0.178 120.648 120.400 0.117 0.000 2.117 462 D HA -0.077 4.566 4.640 0.004 0.000 0.197 462 D C 2.201 178.507 176.300 0.009 0.000 0.987 462 D CA 1.536 55.630 54.000 0.157 0.000 0.829 462 D CB -0.464 40.474 40.800 0.231 0.000 0.961 462 D HN 0.443 nan 8.370 nan 0.000 0.460 463 A N 1.130 123.951 122.820 0.001 0.000 1.930 463 A HA -0.011 4.311 4.320 0.004 0.000 0.217 463 A C 2.334 179.875 177.584 -0.071 0.000 1.175 463 A CA 2.047 54.042 52.037 -0.071 0.000 0.627 463 A CB -0.603 18.405 19.000 0.014 0.000 0.815 463 A HN 0.237 nan 8.150 nan 0.000 0.443 464 A N -0.363 122.450 122.820 -0.012 0.000 1.930 464 A HA -0.169 4.153 4.320 0.004 0.000 0.217 464 A C 2.043 179.622 177.584 -0.009 0.000 1.175 464 A CA 1.739 53.771 52.037 -0.007 0.000 0.627 464 A CB -0.506 18.504 19.000 0.017 0.000 0.815 464 A HN 0.674 nan 8.150 nan 0.000 0.443 465 E N -0.068 120.141 120.200 0.015 0.000 2.051 465 E HA -0.174 4.178 4.350 0.004 0.000 0.192 465 E C 1.960 178.558 176.600 -0.003 0.000 0.991 465 E CA 1.206 57.629 56.400 0.038 0.000 0.799 465 E CB -0.222 29.552 29.700 0.123 0.000 0.748 465 E HN 0.613 nan 8.360 nan 0.000 0.449 466 L N 0.640 121.814 121.223 -0.083 0.000 2.046 466 L HA -0.196 4.146 4.340 0.004 0.000 0.208 466 L C 2.683 179.478 176.870 -0.124 0.000 1.077 466 L CA 1.323 56.066 54.840 -0.162 0.000 0.747 466 L CB -0.291 41.563 42.059 -0.340 0.000 0.896 466 L HN 0.082 nan 8.230 nan 0.000 0.432 467 K N -0.163 120.166 120.400 -0.118 0.000 2.097 467 K HA -0.145 4.177 4.320 0.004 0.000 0.206 467 K C 2.211 178.779 176.600 -0.054 0.000 1.049 467 K CA 1.341 57.571 56.287 -0.094 0.000 0.933 467 K CB -0.218 32.231 32.500 -0.086 0.000 0.717 467 K HN 0.296 nan 8.250 nan 0.000 0.442 468 A N 1.755 124.554 122.820 -0.034 0.000 1.930 468 A HA -0.169 4.153 4.320 0.004 0.000 0.217 468 A C 1.892 179.468 177.584 -0.013 0.000 1.175 468 A CA 1.403 53.430 52.037 -0.016 0.000 0.627 468 A CB -0.222 18.777 19.000 -0.002 0.000 0.815 468 A HN 0.175 nan 8.150 nan 0.000 0.443 469 K N -0.456 119.937 120.400 -0.012 0.000 2.057 469 K HA -0.054 4.268 4.320 0.004 0.000 0.207 469 K C 1.873 178.463 176.600 -0.016 0.000 1.049 469 K CA 1.297 57.581 56.287 -0.005 0.000 0.931 469 K CB -0.344 32.161 32.500 0.009 0.000 0.714 469 K HN 0.278 nan 8.250 nan 0.000 0.440 470 V N 1.894 121.787 119.914 -0.034 0.000 2.255 470 V HA -0.261 3.861 4.120 0.004 0.000 0.247 470 V C 2.179 178.259 176.094 -0.024 0.000 1.051 470 V CA 1.723 64.002 62.300 -0.035 0.000 1.018 470 V CB -0.369 31.421 31.823 -0.055 0.000 0.641 470 V HN 0.295 nan 8.190 nan 0.000 0.445 471 L N -0.122 121.087 121.223 -0.024 0.000 2.141 471 L HA -0.079 4.263 4.340 0.004 0.000 0.209 471 L C 2.564 179.428 176.870 -0.011 0.000 1.094 471 L CA 1.298 56.127 54.840 -0.018 0.000 0.763 471 L CB -0.697 41.350 42.059 -0.019 0.000 0.908 471 L HN 0.363 nan 8.230 nan 0.000 0.437 472 A N -0.042 122.773 122.820 -0.008 0.000 2.119 472 A HA -0.135 4.188 4.320 0.004 0.000 0.217 472 A C 2.465 180.048 177.584 -0.002 0.000 1.153 472 A CA 1.331 53.366 52.037 -0.003 0.000 0.692 472 A CB -0.440 18.561 19.000 0.001 0.000 0.799 472 A HN 0.502 nan 8.150 nan 0.000 0.458 473 S N -1.560 114.138 115.700 -0.004 0.000 2.447 473 S HA 0.243 4.715 4.470 0.004 0.000 0.233 473 S C 1.637 176.236 174.600 -0.001 0.000 1.006 473 S CA 1.408 59.606 58.200 -0.002 0.000 0.957 473 S CB -0.480 62.718 63.200 -0.004 0.000 0.773 473 S HN 1.868 nan 8.310 nan 0.000 0.507 474 G N 0.550 109.348 108.800 -0.003 0.000 2.175 474 G HA2 -0.214 3.748 3.960 0.004 0.000 0.244 474 G HA3 -0.214 3.748 3.960 0.004 0.000 0.244 474 G C -0.004 174.895 174.900 -0.002 0.000 0.982 474 G CA 0.049 45.148 45.100 -0.002 0.000 0.641 474 G HN 0.544 nan 8.290 nan 0.000 0.527 475 L N 2.332 123.553 121.223 -0.002 0.000 2.525 475 L HA 0.372 4.715 4.340 0.004 0.000 0.278 475 L C 1.650 178.517 176.870 -0.004 0.000 1.218 475 L CA 0.763 55.602 54.840 -0.001 0.000 0.878 475 L CB 0.482 42.540 42.059 -0.001 0.000 1.127 475 L HN 0.466 nan 8.230 nan 0.000 0.492 476 T N -0.607 113.946 114.554 -0.002 0.000 2.874 476 T HA 0.253 4.605 4.350 0.004 0.000 0.281 476 T C 1.321 176.013 174.700 -0.013 0.000 0.994 476 T CA -0.992 61.104 62.100 -0.007 0.000 1.015 476 T CB 1.590 70.456 68.868 -0.004 0.000 1.028 476 T HN 0.243 nan 8.240 nan 0.000 0.523 477 V N 1.518 121.417 119.914 -0.026 0.000 2.278 477 V HA -0.221 3.902 4.120 0.004 0.000 0.251 477 V C 3.043 179.115 176.094 -0.036 0.000 1.062 477 V CA 2.629 64.902 62.300 -0.045 0.000 1.038 477 V CB -1.237 30.547 31.823 -0.064 0.000 0.646 477 V HN 1.122 nan 8.190 nan 0.000 0.447 478 S N -1.109 114.576 115.700 -0.024 0.000 2.370 478 S HA -0.301 4.171 4.470 0.004 0.000 0.226 478 S C 2.027 176.639 174.600 0.019 0.000 1.033 478 S CA 2.191 60.386 58.200 -0.010 0.000 1.011 478 S CB -0.255 62.940 63.200 -0.008 0.000 0.852 478 S HN 0.724 nan 8.310 nan 0.000 0.457 479 Q N 0.149 119.961 119.800 0.020 0.000 2.079 479 Q HA -0.011 4.331 4.340 0.004 0.000 0.200 479 Q C 2.364 178.397 176.000 0.055 0.000 0.974 479 Q CA 1.646 57.471 55.803 0.036 0.000 0.840 479 Q CB -0.285 28.467 28.738 0.024 0.000 0.898 479 Q HN 0.529 nan 8.270 nan 0.000 0.430 480 L N -0.309 120.939 121.223 0.041 0.000 2.027 480 L HA -0.168 4.174 4.340 0.004 0.000 0.206 480 L C 2.366 179.308 176.870 0.121 0.000 1.074 480 L CA 0.751 55.626 54.840 0.059 0.000 0.745 480 L CB -0.479 41.593 42.059 0.021 0.000 0.898 480 L HN 0.083 nan 8.230 nan 0.000 0.433 481 V N -0.821 119.144 119.914 0.084 0.000 2.295 481 V HA -0.270 3.852 4.120 0.004 0.000 0.246 481 V C 2.596 178.882 176.094 0.321 0.000 1.049 481 V CA 2.050 64.441 62.300 0.151 0.000 1.024 481 V CB -0.442 31.354 31.823 -0.046 0.000 0.648 481 V HN 0.374 nan 8.190 nan 0.000 0.447 482 S N -0.103 115.722 115.700 0.207 0.000 2.359 482 S HA -0.224 4.248 4.470 0.004 0.000 0.224 482 S C 2.072 176.830 174.600 0.263 0.000 1.035 482 S CA 2.095 60.436 58.200 0.235 0.000 1.018 482 S CB -0.495 62.787 63.200 0.137 0.000 0.876 482 S HN 0.709 nan 8.310 nan 0.000 0.448 483 T N 2.276 116.944 114.554 0.190 0.000 2.777 483 T HA 0.010 4.362 4.350 0.004 0.000 0.266 483 T C 2.161 176.955 174.700 0.156 0.000 1.040 483 T CA 1.199 63.385 62.100 0.143 0.000 1.141 483 T CB -0.492 68.431 68.868 0.092 0.000 0.868 483 T HN 0.462 nan 8.240 nan 0.000 0.444 484 A N 1.233 124.190 122.820 0.228 0.000 1.930 484 A HA -0.074 4.249 4.320 0.004 0.000 0.217 484 A C 2.140 179.805 177.584 0.135 0.000 1.175 484 A CA 1.085 53.243 52.037 0.202 0.000 0.627 484 A CB -1.056 18.162 19.000 0.363 0.000 0.815 484 A HN 0.743 nan 8.150 nan 0.000 0.443 485 W N 0.907 122.294 121.300 0.146 0.000 2.335 485 W HA -0.237 4.425 4.660 0.003 0.000 0.311 485 W C 2.271 178.806 176.519 0.026 0.000 1.213 485 W CA 2.166 59.542 57.345 0.052 0.000 1.274 485 W CB -0.382 29.191 29.460 0.188 0.000 1.148 485 W HN 0.424 nan 8.180 nan 0.000 0.498 486 A N 1.063 123.933 122.820 0.084 0.000 1.917 486 A HA -0.164 4.159 4.320 0.004 0.000 0.219 486 A C 2.158 179.684 177.584 -0.097 0.000 1.182 486 A CA 3.017 55.052 52.037 -0.002 0.000 0.633 486 A CB -1.351 17.711 19.000 0.102 0.000 0.819 486 A HN 0.376 nan 8.150 nan 0.000 0.448 487 A N -0.687 122.083 122.820 -0.084 0.000 1.897 487 A HA 0.283 4.606 4.320 0.004 0.000 0.215 487 A C 2.444 179.932 177.584 -0.161 0.000 1.181 487 A CA 1.896 53.877 52.037 -0.093 0.000 0.620 487 A CB -0.804 18.161 19.000 -0.058 0.000 0.821 487 A HN 1.029 nan 8.150 nan 0.000 0.443 488 A N -0.041 122.613 122.820 -0.276 0.000 1.975 488 A HA 0.077 4.399 4.320 0.004 0.000 0.215 488 A C 2.236 179.571 177.584 -0.416 0.000 1.170 488 A CA 1.619 53.450 52.037 -0.343 0.000 0.656 488 A CB -0.644 18.089 19.000 -0.446 0.000 0.821 488 A HN 0.930 nan 8.150 nan 0.000 0.449 489 S N 0.035 115.332 115.700 -0.672 0.000 2.650 489 S HA -0.051 4.421 4.470 0.004 0.000 0.219 489 S C 1.484 175.887 174.600 -0.328 0.000 0.960 489 S CA 1.109 58.838 58.200 -0.784 0.000 0.925 489 S CB -1.040 61.135 63.200 -1.709 0.000 0.775 489 S HN 0.665 nan 8.310 nan 0.000 0.525 490 T N -1.400 113.062 114.554 -0.154 0.000 3.035 490 T HA 0.123 4.476 4.350 0.004 0.000 0.268 490 T C 0.356 175.069 174.700 0.021 0.000 1.109 490 T CA -0.256 61.844 62.100 -0.000 0.000 1.119 490 T CB -0.826 68.101 68.868 0.098 0.000 0.900 490 T HN 0.383 nan 8.240 nan 0.000 0.503 491 F N 4.377 124.257 119.950 -0.116 0.000 2.572 491 F HA 0.292 4.821 4.527 0.003 0.000 0.370 491 F C 0.742 176.514 175.800 -0.047 0.000 1.103 491 F CA -0.889 57.068 58.000 -0.072 0.000 1.286 491 F CB 0.552 39.485 39.000 -0.113 0.000 1.105 491 F HN 0.204 nan 8.300 nan 0.000 0.583 492 R N 4.158 124.140 120.500 -0.863 0.000 2.574 492 R HA 0.485 4.827 4.340 0.004 0.000 0.288 492 R C 0.251 176.054 176.300 -0.828 0.000 1.004 492 R CA -0.460 55.302 56.100 -0.564 0.000 0.895 492 R CB 1.157 31.294 30.300 -0.271 0.000 1.191 492 R HN 0.747 nan 8.270 nan 0.000 0.444 493 G N 1.162 109.787 108.800 -0.293 0.000 2.534 493 G HA2 -0.240 3.722 3.960 0.004 0.000 0.217 493 G HA3 -0.240 3.722 3.960 0.004 0.000 0.217 493 G C 1.229 176.091 174.900 -0.064 0.000 1.128 493 G CA 0.696 45.776 45.100 -0.033 0.000 0.784 493 G HN 0.759 nan 8.290 nan 0.000 0.542 494 S N 1.565 117.205 115.700 -0.100 0.000 2.359 494 S HA -0.178 4.294 4.470 0.004 0.000 0.224 494 S C 1.595 176.177 174.600 -0.030 0.000 1.035 494 S CA 1.835 59.998 58.200 -0.061 0.000 1.018 494 S CB -0.169 62.988 63.200 -0.072 0.000 0.876 494 S HN 0.499 nan 8.310 nan 0.000 0.448 495 D N -0.844 119.524 120.400 -0.054 0.000 2.556 495 D HA 0.227 4.870 4.640 0.004 0.000 0.237 495 D C 0.011 176.268 176.300 -0.072 0.000 1.296 495 D CA -0.307 53.689 54.000 -0.006 0.000 0.807 495 D CB -0.424 40.473 40.800 0.162 0.000 1.084 495 D HN 0.292 nan 8.370 nan 0.000 0.510 496 K N 0.134 120.424 120.400 -0.184 0.000 3.088 496 K HA -0.218 4.105 4.320 0.004 0.000 0.273 496 K C -0.208 176.344 176.600 -0.080 0.000 1.111 496 K CA 0.651 56.854 56.287 -0.140 0.000 0.803 496 K CB -1.380 31.145 32.500 0.042 0.000 1.226 496 K HN 0.343 nan 8.250 nan 0.000 0.485 497 R N 0.095 120.484 120.500 -0.185 0.000 2.532 497 R HA 0.610 4.953 4.340 0.004 0.000 0.272 497 R C 1.007 177.260 176.300 -0.078 0.000 1.032 497 R CA 0.029 56.101 56.100 -0.047 0.000 1.089 497 R CB 1.219 31.523 30.300 0.007 0.000 1.098 497 R HN 0.332 nan 8.270 nan 0.000 0.526 498 G N -0.209 108.633 108.800 0.070 0.000 2.698 498 G HA2 0.195 4.157 3.960 0.004 0.000 0.225 498 G HA3 0.195 4.157 3.960 0.004 0.000 0.225 498 G C -0.037 175.001 174.900 0.229 0.000 1.345 498 G CA -0.439 44.727 45.100 0.110 0.000 0.871 498 G HN 1.156 nan 8.290 nan 0.000 0.540 499 G N -2.812 106.082 108.800 0.158 0.000 2.603 499 G HA2 0.479 4.442 3.960 0.004 0.000 0.686 499 G HA3 0.479 4.442 3.960 0.004 0.000 0.686 499 G C 0.922 175.814 174.900 -0.013 0.000 1.286 499 G CA 0.956 46.103 45.100 0.078 0.000 0.871 499 G HN 2.447 nan 8.290 nan 0.000 0.568 500 A N -0.170 122.602 122.820 -0.081 0.000 2.119 500 A HA 0.274 4.596 4.320 0.004 0.000 0.216 500 A C 1.301 178.858 177.584 -0.045 0.000 1.152 500 A CA 1.555 53.547 52.037 -0.075 0.000 0.708 500 A CB -0.313 18.624 19.000 -0.104 0.000 0.805 500 A HN 1.166 nan 8.150 nan 0.000 0.460 501 N N -0.084 118.592 118.700 -0.040 0.000 2.458 501 N HA 0.308 5.051 4.740 0.004 0.000 0.258 501 N C 1.128 176.635 175.510 -0.006 0.000 1.219 501 N CA 1.578 54.615 53.050 -0.023 0.000 0.902 501 N CB 0.545 39.020 38.487 -0.020 0.000 1.076 501 N HN 0.590 nan 8.380 nan 0.000 0.455 502 G N 2.155 110.952 108.800 -0.006 0.000 2.232 502 G HA2 -0.137 3.825 3.960 0.004 0.000 0.226 502 G HA3 -0.137 3.825 3.960 0.004 0.000 0.226 502 G C 0.438 175.329 174.900 -0.014 0.000 0.996 502 G CA 0.386 45.481 45.100 -0.007 0.000 0.626 502 G HN 1.643 nan 8.290 nan 0.000 0.509 503 A N -0.614 122.196 122.820 -0.017 0.000 2.704 503 A HA -0.267 4.055 4.320 0.004 0.000 0.299 503 A C 1.542 179.100 177.584 -0.043 0.000 1.507 503 A CA 2.266 54.288 52.037 -0.025 0.000 0.776 503 A CB -1.641 17.351 19.000 -0.014 0.000 1.027 503 A HN 1.000 nan 8.150 nan 0.000 0.475 504 R N -0.760 119.708 120.500 -0.053 0.000 2.280 504 R HA 0.100 4.443 4.340 0.004 0.000 0.207 504 R C 1.920 178.140 176.300 -0.134 0.000 1.043 504 R CA 1.086 57.138 56.100 -0.081 0.000 1.006 504 R CB -0.190 30.069 30.300 -0.068 0.000 0.885 504 R HN 0.827 nan 8.270 nan 0.000 0.467 505 I N 1.974 122.472 120.570 -0.119 0.000 2.567 505 I HA -0.257 3.915 4.170 0.004 0.000 0.257 505 I C 2.321 178.358 176.117 -0.134 0.000 1.184 505 I CA 1.164 62.376 61.300 -0.148 0.000 1.451 505 I CB 0.005 37.952 38.000 -0.089 0.000 1.089 505 I HN 0.123 nan 8.210 nan 0.000 0.441 506 R N 0.397 120.840 120.500 -0.096 0.000 2.297 506 R HA 0.115 4.457 4.340 0.004 0.000 0.197 506 R C 0.319 176.567 176.300 -0.086 0.000 0.943 506 R CA 0.095 56.150 56.100 -0.075 0.000 1.038 506 R CB -0.129 30.142 30.300 -0.047 0.000 0.957 506 R HN 0.287 nan 8.270 nan 0.000 0.484 507 L N 0.781 121.936 121.223 -0.112 0.000 2.331 507 L HA 0.573 4.915 4.340 0.004 0.000 0.268 507 L C 0.203 176.983 176.870 -0.150 0.000 1.015 507 L CA -1.389 53.388 54.840 -0.105 0.000 0.807 507 L CB 1.349 43.357 42.059 -0.085 0.000 1.293 507 L HN 0.014 nan 8.230 nan 0.000 0.451 508 A N 1.387 124.139 122.820 -0.114 0.000 2.425 508 A HA 0.378 4.701 4.320 0.004 0.000 0.249 508 A C -1.830 175.666 177.584 -0.146 0.000 1.084 508 A CA -0.877 51.084 52.037 -0.127 0.000 0.781 508 A CB -0.099 18.866 19.000 -0.059 0.000 1.019 508 A HN 0.601 nan 8.150 nan 0.000 0.490 509 P HA 0.020 nan 4.420 nan 0.000 0.257 509 P C 0.790 177.604 177.300 -0.812 0.000 1.241 509 P CA 0.426 63.358 63.100 -0.280 0.000 0.816 509 P CB 0.385 32.082 31.700 -0.005 0.000 1.150 510 Q N 1.379 120.561 119.800 -1.031 0.000 2.096 510 Q HA -0.177 4.165 4.340 0.004 0.000 0.204 510 Q C 2.123 177.684 176.000 -0.731 0.000 0.982 510 Q CA 1.865 56.789 55.803 -1.465 0.000 0.850 510 Q CB -0.466 27.718 28.738 -0.923 0.000 0.901 510 Q HN 0.448 nan 8.270 nan 0.000 0.422 511 K N 0.246 120.401 120.400 -0.409 0.000 2.360 511 K HA -0.139 4.183 4.320 0.004 0.000 0.201 511 K C 0.606 177.128 176.600 -0.131 0.000 1.046 511 K CA 1.604 57.769 56.287 -0.203 0.000 0.945 511 K CB 0.185 32.604 32.500 -0.134 0.000 0.750 511 K HN 0.098 nan 8.250 nan 0.000 0.464 512 D N -0.320 119.983 120.400 -0.162 0.000 2.369 512 D HA 0.003 4.645 4.640 0.004 0.000 0.211 512 D C -0.215 176.161 176.300 0.127 0.000 1.077 512 D CA -0.009 53.980 54.000 -0.017 0.000 0.842 512 D CB 0.100 40.900 40.800 -0.001 0.000 0.947 512 D HN 0.172 nan 8.370 nan 0.000 0.509 513 W N 2.391 123.701 121.300 0.017 0.000 2.216 513 W HA 0.103 4.770 4.660 0.012 0.000 0.326 513 W C 1.820 178.339 176.519 0.001 0.000 1.319 513 W CA -0.972 56.384 57.345 0.019 0.000 1.213 513 W CB 0.394 29.861 29.460 0.011 0.000 1.171 513 W HN 0.067 nan 8.180 nan 0.000 0.557 514 E N 2.392 122.741 120.200 0.247 0.000 2.085 514 E HA -0.225 4.128 4.350 0.004 0.000 0.194 514 E C 2.011 178.586 176.600 -0.042 0.000 0.994 514 E CA 1.926 58.405 56.400 0.132 0.000 0.801 514 E CB 0.112 29.930 29.700 0.197 0.000 0.743 514 E HN 0.484 nan 8.360 nan 0.000 0.453 515 A N 0.994 123.683 122.820 -0.218 0.000 1.978 515 A HA -0.179 4.143 4.320 0.004 0.000 0.220 515 A C 1.754 179.250 177.584 -0.148 0.000 1.170 515 A CA 1.566 53.260 52.037 -0.571 0.000 0.636 515 A CB -0.422 18.245 19.000 -0.556 0.000 0.810 515 A HN 0.261 nan 8.150 nan 0.000 0.448 516 N N -0.235 118.493 118.700 0.047 0.000 2.398 516 N HA 0.035 4.777 4.740 0.004 0.000 0.188 516 N C -0.490 175.050 175.510 0.050 0.000 1.122 516 N CA 0.436 53.536 53.050 0.082 0.000 0.866 516 N CB -0.149 38.412 38.487 0.123 0.000 0.970 516 N HN 0.569 nan 8.380 nan 0.000 0.462 517 Q N -1.136 118.685 119.800 0.036 0.000 2.455 517 Q HA -0.143 4.200 4.340 0.004 0.000 0.343 517 Q C -1.900 174.121 176.000 0.036 0.000 1.458 517 Q CA -0.213 55.611 55.803 0.035 0.000 0.923 517 Q CB -1.168 27.589 28.738 0.033 0.000 1.149 517 Q HN 0.266 nan 8.270 nan 0.000 0.357 518 P HA -0.258 nan 4.420 nan 0.000 0.216 518 P C 1.107 178.419 177.300 0.020 0.000 1.154 518 P CA 1.419 64.535 63.100 0.026 0.000 0.865 518 P CB 0.183 31.903 31.700 0.033 0.000 0.789 519 E N -0.362 119.853 120.200 0.025 0.000 2.047 519 E HA -0.219 4.133 4.350 0.004 0.000 0.191 519 E C 2.161 178.772 176.600 0.019 0.000 0.987 519 E CA 1.176 57.589 56.400 0.021 0.000 0.799 519 E CB -0.901 28.814 29.700 0.024 0.000 0.752 519 E HN 0.456 nan 8.360 nan 0.000 0.449 520 Q N 0.907 120.721 119.800 0.023 0.000 2.050 520 Q HA -0.169 4.173 4.340 0.004 0.000 0.202 520 Q C 2.316 178.329 176.000 0.022 0.000 0.980 520 Q CA 1.265 57.082 55.803 0.023 0.000 0.840 520 Q CB -0.257 28.498 28.738 0.029 0.000 0.898 520 Q HN 0.189 nan 8.270 nan 0.000 0.424 521 L N 0.930 122.166 121.223 0.022 0.000 2.013 521 L HA -0.152 4.191 4.340 0.004 0.000 0.212 521 L C 2.362 179.237 176.870 0.007 0.000 1.073 521 L CA 2.459 57.309 54.840 0.016 0.000 0.753 521 L CB -1.120 40.944 42.059 0.009 0.000 0.890 521 L HN 0.348 nan 8.230 nan 0.000 0.432 522 A N -0.574 122.248 122.820 0.004 0.000 1.908 522 A HA -0.154 4.168 4.320 0.004 0.000 0.218 522 A C 2.453 180.039 177.584 0.003 0.000 1.181 522 A CA 2.136 54.174 52.037 0.000 0.000 0.627 522 A CB -1.255 17.746 19.000 0.001 0.000 0.818 522 A HN 0.629 nan 8.150 nan 0.000 0.445 523 A N -0.652 122.172 122.820 0.007 0.000 1.902 523 A HA 0.022 4.344 4.320 0.004 0.000 0.217 523 A C 2.243 179.832 177.584 0.007 0.000 1.181 523 A CA 1.767 53.808 52.037 0.008 0.000 0.623 523 A CB -0.950 18.056 19.000 0.010 0.000 0.818 523 A HN 0.401 nan 8.150 nan 0.000 0.443 524 V N 0.250 120.170 119.914 0.010 0.000 2.295 524 V HA -0.267 3.855 4.120 0.004 0.000 0.246 524 V C 2.566 178.664 176.094 0.006 0.000 1.049 524 V CA 2.007 64.314 62.300 0.011 0.000 1.024 524 V CB -0.832 31.003 31.823 0.020 0.000 0.648 524 V HN 0.567 nan 8.190 nan 0.000 0.447 525 L N -0.176 121.049 121.223 0.003 0.000 2.083 525 L HA -0.207 4.135 4.340 0.004 0.000 0.209 525 L C 2.593 179.461 176.870 -0.003 0.000 1.083 525 L CA 1.902 56.740 54.840 -0.003 0.000 0.752 525 L CB -0.572 41.483 42.059 -0.008 0.000 0.899 525 L HN 0.468 nan 8.230 nan 0.000 0.433 526 E N -0.042 120.158 120.200 -0.001 0.000 2.051 526 E HA -0.213 4.139 4.350 0.004 0.000 0.192 526 E C 1.975 178.576 176.600 0.001 0.000 0.991 526 E CA 1.954 58.354 56.400 0.000 0.000 0.799 526 E CB 0.088 29.789 29.700 0.002 0.000 0.748 526 E HN 0.378 nan 8.360 nan 0.000 0.449 527 T N 1.517 116.072 114.554 0.001 0.000 2.746 527 T HA -0.122 4.231 4.350 0.004 0.000 0.267 527 T C 1.910 176.609 174.700 -0.002 0.000 1.039 527 T CA 1.187 63.288 62.100 0.001 0.000 1.142 527 T CB -0.192 68.677 68.868 0.001 0.000 0.866 527 T HN 0.155 nan 8.240 nan 0.000 0.444 528 L N 0.662 121.882 121.223 -0.005 0.000 2.046 528 L HA -0.087 4.256 4.340 0.004 0.000 0.208 528 L C 2.810 179.674 176.870 -0.009 0.000 1.077 528 L CA 1.275 56.107 54.840 -0.012 0.000 0.747 528 L CB -0.492 41.558 42.059 -0.015 0.000 0.896 528 L HN 0.218 nan 8.230 nan 0.000 0.432 529 E N 0.595 120.793 120.200 -0.004 0.000 2.150 529 E HA -0.178 4.175 4.350 0.004 0.000 0.193 529 E C 2.094 178.699 176.600 0.008 0.000 0.985 529 E CA 1.365 57.765 56.400 0.001 0.000 0.814 529 E CB -0.048 29.651 29.700 -0.000 0.000 0.752 529 E HN 0.366 nan 8.360 nan 0.000 0.466 530 A N 0.464 123.289 122.820 0.008 0.000 1.902 530 A HA -0.127 4.195 4.320 0.004 0.000 0.217 530 A C 2.331 179.929 177.584 0.023 0.000 1.181 530 A CA 1.437 53.481 52.037 0.013 0.000 0.623 530 A CB -0.665 18.341 19.000 0.010 0.000 0.818 530 A HN 0.350 nan 8.150 nan 0.000 0.443 531 I N -1.186 119.395 120.570 0.018 0.000 2.226 531 I HA -0.254 3.918 4.170 0.004 0.000 0.245 531 I C 2.739 178.889 176.117 0.056 0.000 1.100 531 I CA 1.645 62.962 61.300 0.028 0.000 1.374 531 I CB -0.279 37.721 38.000 -0.001 0.000 1.057 531 I HN 0.352 nan 8.210 nan 0.000 0.413 532 R N 0.345 120.865 120.500 0.033 0.000 2.073 532 R HA -0.154 4.188 4.340 0.004 0.000 0.234 532 R C 2.333 178.691 176.300 0.097 0.000 1.134 532 R CA 2.062 58.195 56.100 0.055 0.000 0.952 532 R CB -0.269 30.042 30.300 0.018 0.000 0.850 532 R HN 0.242 nan 8.270 nan 0.000 0.433 533 T N 0.500 115.088 114.554 0.057 0.000 2.684 533 T HA -0.171 4.182 4.350 0.004 0.000 0.267 533 T C 1.764 176.494 174.700 0.051 0.000 1.036 533 T CA 1.521 63.647 62.100 0.044 0.000 1.148 533 T CB -0.326 68.556 68.868 0.023 0.000 0.863 533 T HN 0.468 nan 8.240 nan 0.000 0.436 534 A N 0.722 123.579 122.820 0.061 0.000 1.898 534 A HA -0.003 4.319 4.320 0.004 0.000 0.216 534 A C 2.038 179.665 177.584 0.071 0.000 1.181 534 A CA 1.358 53.426 52.037 0.052 0.000 0.620 534 A CB -0.945 18.086 19.000 0.052 0.000 0.819 534 A HN 0.510 nan 8.150 nan 0.000 0.442 535 F N 1.356 121.295 119.950 -0.018 0.000 2.102 535 F HA -0.196 4.333 4.527 0.003 0.000 0.298 535 F C 2.039 177.826 175.800 -0.022 0.000 1.105 535 F CA 2.085 60.074 58.000 -0.018 0.000 1.239 535 F CB -0.201 38.788 39.000 -0.018 0.000 0.991 535 F HN 0.195 nan 8.300 nan 0.000 0.474 536 N N 0.659 119.453 118.700 0.156 0.000 2.166 536 N HA -0.112 4.630 4.740 0.004 0.000 0.186 536 N C 2.076 177.538 175.510 -0.080 0.000 1.019 536 N CA 1.352 54.422 53.050 0.033 0.000 0.856 536 N CB -1.240 37.289 38.487 0.069 0.000 0.993 536 N HN 0.472 nan 8.380 nan 0.000 0.426 537 G N 0.047 108.815 108.800 -0.053 0.000 2.448 537 G HA2 -0.113 3.849 3.960 0.004 0.000 0.219 537 G HA3 -0.113 3.849 3.960 0.004 0.000 0.219 537 G C 1.331 176.171 174.900 -0.100 0.000 1.127 537 G CA 0.911 45.974 45.100 -0.061 0.000 0.766 537 G HN 0.441 nan 8.290 nan 0.000 0.552 538 A N -0.828 121.894 122.820 -0.163 0.000 2.251 538 A HA 0.317 4.640 4.320 0.004 0.000 0.209 538 A C 1.225 178.670 177.584 -0.231 0.000 1.187 538 A CA 0.169 52.094 52.037 -0.186 0.000 0.823 538 A CB 0.078 18.956 19.000 -0.203 0.000 0.846 538 A HN 0.292 nan 8.150 nan 0.000 0.486 539 Q N 0.487 120.130 119.800 -0.261 0.000 2.260 539 Q HA 0.453 4.795 4.340 0.004 0.000 0.242 539 Q C -0.330 175.594 176.000 -0.128 0.000 0.932 539 Q CA -0.095 55.565 55.803 -0.238 0.000 0.891 539 Q CB 0.898 29.482 28.738 -0.255 0.000 1.222 539 Q HN 0.210 nan 8.270 nan 0.000 0.453 540 R N -0.410 120.033 120.500 -0.096 0.000 2.873 540 R HA 0.726 5.069 4.340 0.004 0.000 0.264 540 R C 0.298 176.579 176.300 -0.032 0.000 1.026 540 R CA 0.016 56.082 56.100 -0.055 0.000 1.002 540 R CB 1.030 31.303 30.300 -0.046 0.000 1.174 540 R HN 0.835 nan 8.270 nan 0.000 0.488 541 G N 0.247 109.036 108.800 -0.018 0.000 2.641 541 G HA2 -0.286 3.677 3.960 0.004 0.000 0.254 541 G HA3 -0.286 3.677 3.960 0.004 0.000 0.254 541 G C 0.601 175.502 174.900 0.002 0.000 1.315 541 G CA -0.043 45.057 45.100 -0.001 0.000 0.907 541 G HN 0.722 nan 8.290 nan 0.000 0.572 542 G N -0.263 108.552 108.800 0.025 0.000 3.026 542 G HA2 0.314 4.276 3.960 0.004 0.000 0.208 542 G HA3 0.314 4.276 3.960 0.004 0.000 0.208 542 G C 0.743 175.665 174.900 0.036 0.000 1.169 542 G CA 0.985 46.106 45.100 0.035 0.000 0.788 542 G HN 0.772 nan 8.290 nan 0.000 0.533 543 K N 0.599 121.021 120.400 0.038 0.000 2.451 543 K HA 0.226 4.548 4.320 0.004 0.000 0.280 543 K C 0.205 176.804 176.600 -0.002 0.000 1.020 543 K CA 0.116 56.445 56.287 0.071 0.000 1.008 543 K CB 0.279 32.831 32.500 0.086 0.000 0.917 543 K HN 0.448 nan 8.250 nan 0.000 0.478 544 Q N 1.199 120.963 119.800 -0.059 0.000 2.534 544 Q HA 0.477 4.819 4.340 0.004 0.000 0.290 544 Q C -1.947 174.059 176.000 0.009 0.000 0.991 544 Q CA -1.082 54.678 55.803 -0.071 0.000 0.783 544 Q CB 1.761 30.323 28.738 -0.292 0.000 1.470 544 Q HN 0.280 nan 8.270 nan 0.000 0.406 545 V N 1.737 121.705 119.914 0.090 0.000 2.513 545 V HA 0.720 4.842 4.120 0.004 0.000 0.299 545 V C -0.463 175.649 176.094 0.030 0.000 1.035 545 V CA 0.099 62.430 62.300 0.052 0.000 0.889 545 V CB 1.866 33.628 31.823 -0.103 0.000 0.988 545 V HN 1.017 nan 8.190 nan 0.000 0.440 546 S N 5.686 121.432 115.700 0.076 0.000 2.600 546 S HA 0.203 4.676 4.470 0.004 0.000 0.265 546 S C 0.825 175.442 174.600 0.029 0.000 1.325 546 S CA -0.143 58.094 58.200 0.060 0.000 1.002 546 S CB 1.249 64.505 63.200 0.093 0.000 0.921 546 S HN 0.849 nan 8.310 nan 0.000 0.554 547 L N 1.793 123.027 121.223 0.017 0.000 2.156 547 L HA 0.146 4.489 4.340 0.004 0.000 0.208 547 L C 2.556 179.432 176.870 0.010 0.000 1.095 547 L CA 2.016 56.858 54.840 0.004 0.000 0.770 547 L CB -1.474 40.584 42.059 -0.002 0.000 0.914 547 L HN 0.956 nan 8.230 nan 0.000 0.439 548 A N -0.601 122.232 122.820 0.021 0.000 1.865 548 A HA -0.259 4.064 4.320 0.004 0.000 0.217 548 A C 2.052 179.669 177.584 0.055 0.000 1.191 548 A CA 2.100 54.151 52.037 0.024 0.000 0.623 548 A CB -0.896 18.116 19.000 0.019 0.000 0.826 548 A HN 0.484 nan 8.150 nan 0.000 0.444 549 D N -0.670 119.786 120.400 0.093 0.000 2.097 549 D HA -0.121 4.522 4.640 0.004 0.000 0.195 549 D C 1.846 178.207 176.300 0.102 0.000 0.989 549 D CA 1.279 55.404 54.000 0.209 0.000 0.827 549 D CB -0.400 40.561 40.800 0.268 0.000 0.966 549 D HN 0.306 nan 8.370 nan 0.000 0.456 550 L N 0.768 121.988 121.223 -0.005 0.000 2.083 550 L HA -0.074 4.268 4.340 0.004 0.000 0.209 550 L C 2.125 178.952 176.870 -0.072 0.000 1.083 550 L CA 1.150 55.932 54.840 -0.097 0.000 0.752 550 L CB -0.452 41.550 42.059 -0.094 0.000 0.899 550 L HN 0.013 nan 8.230 nan 0.000 0.433 551 I N -1.719 118.841 120.570 -0.017 0.000 2.151 551 I HA -0.334 3.839 4.170 0.004 0.000 0.243 551 I C 2.300 178.437 176.117 0.033 0.000 1.080 551 I CA 1.453 62.758 61.300 0.007 0.000 1.339 551 I CB -0.409 37.599 38.000 0.012 0.000 1.039 551 I HN 0.072 nan 8.210 nan 0.000 0.409 552 V N 0.348 120.294 119.914 0.054 0.000 2.307 552 V HA -0.250 3.873 4.120 0.004 0.000 0.245 552 V C 2.320 178.449 176.094 0.059 0.000 1.045 552 V CA 1.534 63.902 62.300 0.114 0.000 1.024 552 V CB -0.502 31.441 31.823 0.200 0.000 0.651 552 V HN 0.350 nan 8.190 nan 0.000 0.449 553 L N 0.932 122.019 121.223 -0.227 0.000 2.046 553 L HA -0.089 4.253 4.340 0.004 0.000 0.208 553 L C 2.441 179.171 176.870 -0.233 0.000 1.077 553 L CA 2.351 56.842 54.840 -0.581 0.000 0.747 553 L CB -0.922 40.539 42.059 -0.997 0.000 0.896 553 L HN 0.228 nan 8.230 nan 0.000 0.432 554 A N -0.592 122.149 122.820 -0.132 0.000 1.902 554 A HA -0.076 4.246 4.320 0.004 0.000 0.217 554 A C 2.360 179.959 177.584 0.024 0.000 1.181 554 A CA 1.520 53.524 52.037 -0.055 0.000 0.623 554 A CB -1.590 17.389 19.000 -0.035 0.000 0.818 554 A HN 0.524 nan 8.150 nan 0.000 0.443 555 G N -0.775 108.098 108.800 0.121 0.000 2.440 555 G HA2 -0.300 3.662 3.960 0.004 0.000 0.218 555 G HA3 -0.300 3.662 3.960 0.004 0.000 0.218 555 G C 1.595 176.626 174.900 0.219 0.000 1.154 555 G CA 1.353 46.618 45.100 0.276 0.000 0.767 555 G HN 0.527 nan 8.290 nan 0.000 0.552 556 C N 0.896 120.341 119.300 0.243 0.000 2.429 556 C HA 0.138 4.601 4.460 0.004 0.000 0.277 556 C C 3.554 178.551 174.990 0.011 0.000 1.262 556 C CA 0.852 59.973 59.018 0.171 0.000 1.733 556 C CB -1.038 26.805 27.740 0.171 0.000 2.010 556 C HN 0.585 nan 8.230 nan 0.000 0.483 557 A N 0.870 123.677 122.820 -0.023 0.000 1.908 557 A HA 0.004 4.327 4.320 0.004 0.000 0.218 557 A C 2.406 179.958 177.584 -0.053 0.000 1.181 557 A CA 2.199 54.209 52.037 -0.044 0.000 0.627 557 A CB -1.281 17.685 19.000 -0.057 0.000 0.818 557 A HN 0.568 nan 8.150 nan 0.000 0.445 558 G N -0.612 108.155 108.800 -0.056 0.000 2.440 558 G HA2 -0.138 3.825 3.960 0.004 0.000 0.218 558 G HA3 -0.138 3.825 3.960 0.004 0.000 0.218 558 G C 1.513 176.323 174.900 -0.149 0.000 1.154 558 G CA 1.306 46.355 45.100 -0.085 0.000 0.767 558 G HN 0.340 nan 8.290 nan 0.000 0.552 559 V N 0.764 120.543 119.914 -0.224 0.000 2.358 559 V HA -0.165 3.958 4.120 0.004 0.000 0.246 559 V C 2.678 178.681 176.094 -0.151 0.000 1.047 559 V CA 2.186 64.318 62.300 -0.281 0.000 1.035 559 V CB -0.555 30.990 31.823 -0.464 0.000 0.658 559 V HN 0.479 nan 8.190 nan 0.000 0.452 560 E N -0.150 119.995 120.200 -0.092 0.000 2.058 560 E HA -0.339 4.013 4.350 0.004 0.000 0.194 560 E C 2.254 178.831 176.600 -0.040 0.000 0.997 560 E CA 1.667 58.041 56.400 -0.045 0.000 0.801 560 E CB -0.182 29.505 29.700 -0.022 0.000 0.746 560 E HN 0.532 nan 8.360 nan 0.000 0.450 561 Q N 0.894 120.664 119.800 -0.050 0.000 2.084 561 Q HA -0.140 4.203 4.340 0.004 0.000 0.202 561 Q C 1.982 177.956 176.000 -0.044 0.000 0.978 561 Q CA 1.883 57.663 55.803 -0.039 0.000 0.844 561 Q CB -0.378 28.336 28.738 -0.040 0.000 0.898 561 Q HN 0.253 nan 8.270 nan 0.000 0.426 562 A N 0.334 123.108 122.820 -0.076 0.000 1.908 562 A HA -0.118 4.204 4.320 0.004 0.000 0.218 562 A C 2.302 179.854 177.584 -0.054 0.000 1.181 562 A CA 2.075 54.059 52.037 -0.087 0.000 0.627 562 A CB -1.251 17.655 19.000 -0.157 0.000 0.818 562 A HN 0.545 nan 8.150 nan 0.000 0.445 563 A N -0.389 122.400 122.820 -0.051 0.000 1.902 563 A HA -0.164 4.158 4.320 0.004 0.000 0.217 563 A C 2.142 179.774 177.584 0.080 0.000 1.181 563 A CA 1.980 54.020 52.037 0.006 0.000 0.623 563 A CB -0.474 18.523 19.000 -0.005 0.000 0.818 563 A HN 0.559 nan 8.150 nan 0.000 0.443 564 K N -0.320 120.104 120.400 0.040 0.000 2.032 564 K HA -0.221 4.102 4.320 0.004 0.000 0.209 564 K C 1.644 178.264 176.600 0.033 0.000 1.048 564 K CA 1.687 57.996 56.287 0.038 0.000 0.927 564 K CB -0.254 32.255 32.500 0.015 0.000 0.712 564 K HN 0.409 nan 8.250 nan 0.000 0.441 565 N N 0.531 119.242 118.700 0.019 0.000 2.192 565 N HA -0.167 4.575 4.740 0.004 0.000 0.188 565 N C 1.242 176.773 175.510 0.034 0.000 1.013 565 N CA 1.420 54.479 53.050 0.015 0.000 0.863 565 N CB -0.234 38.251 38.487 -0.003 0.000 0.990 565 N HN 0.310 nan 8.380 nan 0.000 0.430 566 A N -0.724 122.140 122.820 0.072 0.000 2.275 566 A HA 0.480 4.802 4.320 0.004 0.000 0.212 566 A C 1.352 179.010 177.584 0.123 0.000 1.201 566 A CA 0.594 52.707 52.037 0.126 0.000 0.843 566 A CB -0.176 18.943 19.000 0.199 0.000 0.873 566 A HN 0.288 nan 8.150 nan 0.000 0.492 567 G N -0.814 108.019 108.800 0.056 0.000 2.132 567 G HA2 -0.184 3.779 3.960 0.004 0.000 0.234 567 G HA3 -0.184 3.779 3.960 0.004 0.000 0.234 567 G C -0.108 174.703 174.900 -0.148 0.000 0.989 567 G CA 0.185 45.254 45.100 -0.052 0.000 0.676 567 G HN 0.683 nan 8.290 nan 0.000 0.522 568 H N -0.244 118.836 119.070 0.016 0.000 2.492 568 H HA 0.639 5.198 4.556 0.004 0.000 0.345 568 H C 0.203 175.539 175.328 0.013 0.000 1.136 568 H CA 0.073 56.133 56.048 0.020 0.000 1.202 568 H CB 2.017 31.796 29.762 0.028 0.000 1.524 568 H HN 0.476 nan 8.280 nan 0.000 0.506 569 A N 3.556 126.451 122.820 0.125 0.000 2.280 569 A HA 0.480 4.802 4.320 0.004 0.000 0.320 569 A C -0.450 177.182 177.584 0.080 0.000 1.366 569 A CA -0.479 51.604 52.037 0.077 0.000 0.938 569 A CB -0.126 18.902 19.000 0.047 0.000 1.157 569 A HN 0.358 nan 8.150 nan 0.000 0.536 570 V N 2.691 122.643 119.914 0.063 0.000 2.577 570 V HA 0.457 4.580 4.120 0.004 0.000 0.303 570 V C -0.066 176.049 176.094 0.035 0.000 1.042 570 V CA -0.455 61.874 62.300 0.048 0.000 0.872 570 V CB 2.186 34.029 31.823 0.033 0.000 0.998 570 V HN 0.822 nan 8.190 nan 0.000 0.423 571 T N 4.058 118.635 114.554 0.038 0.000 2.749 571 T HA 0.516 4.868 4.350 0.004 0.000 0.287 571 T C -0.185 174.547 174.700 0.053 0.000 0.970 571 T CA -0.376 61.749 62.100 0.041 0.000 0.980 571 T CB 1.507 70.400 68.868 0.041 0.000 0.924 571 T HN 0.342 nan 8.240 nan 0.000 0.456 572 V N 6.575 126.528 119.914 0.065 0.000 2.432 572 V HA 0.288 4.411 4.120 0.004 0.000 0.275 572 V C -1.847 174.326 176.094 0.131 0.000 1.043 572 V CA -1.900 60.462 62.300 0.103 0.000 0.925 572 V CB 0.688 32.587 31.823 0.126 0.000 0.985 572 V HN 0.736 nan 8.190 nan 0.000 0.466 573 P HA 0.191 nan 4.420 nan 0.000 0.267 573 P C -1.004 176.415 177.300 0.198 0.000 1.200 573 P CA 0.089 63.258 63.100 0.115 0.000 0.772 573 P CB 0.277 32.010 31.700 0.055 0.000 0.855 574 F N 1.448 121.401 119.950 0.006 0.000 2.574 574 F HA 0.620 5.149 4.527 0.003 0.000 0.313 574 F C -1.473 174.311 175.800 -0.026 0.000 1.130 574 F CA -0.961 57.035 58.000 -0.007 0.000 0.936 574 F CB 1.636 40.639 39.000 0.004 0.000 1.219 574 F HN 0.400 nan 8.300 nan 0.000 0.445 575 A N 7.967 130.191 122.820 -0.993 0.000 2.285 575 A HA 0.736 5.059 4.320 0.004 0.000 0.310 575 A C -2.832 174.076 177.584 -1.126 0.000 1.266 575 A CA -1.638 49.923 52.037 -0.794 0.000 0.832 575 A CB 0.381 19.119 19.000 -0.437 0.000 1.163 575 A HN 0.490 nan 8.150 nan 0.000 0.499 576 P HA 0.496 nan 4.420 nan 0.000 0.277 576 P C 0.728 177.897 177.300 -0.219 0.000 1.271 576 P CA 0.871 63.740 63.100 -0.384 0.000 0.795 576 P CB 1.150 32.841 31.700 -0.015 0.000 1.101 577 G N -0.840 107.903 108.800 -0.095 0.000 2.273 577 G HA2 -0.133 3.829 3.960 0.004 0.000 0.162 577 G HA3 -0.133 3.829 3.960 0.004 0.000 0.162 577 G C 0.168 175.030 174.900 -0.065 0.000 1.006 577 G CA -0.550 44.498 45.100 -0.086 0.000 0.704 577 G HN 0.518 nan 8.290 nan 0.000 0.487 578 R N 0.772 121.245 120.500 -0.044 0.000 2.643 578 R HA 0.605 4.947 4.340 0.004 0.000 0.270 578 R C 0.475 176.785 176.300 0.016 0.000 1.061 578 R CA 0.738 56.825 56.100 -0.021 0.000 1.107 578 R CB 0.888 31.182 30.300 -0.010 0.000 0.999 578 R HN 0.503 nan 8.270 nan 0.000 0.460 579 A N 1.760 124.586 122.820 0.011 0.000 2.386 579 A HA 0.389 4.712 4.320 0.004 0.000 0.308 579 A C -1.176 176.421 177.584 0.023 0.000 1.128 579 A CA -0.931 51.126 52.037 0.032 0.000 0.789 579 A CB 1.230 20.241 19.000 0.018 0.000 1.325 579 A HN 0.598 nan 8.150 nan 0.000 0.437 580 D N 1.322 121.740 120.400 0.029 0.000 2.274 580 D HA 0.520 5.162 4.640 0.004 0.000 0.239 580 D C 0.209 176.512 176.300 0.005 0.000 1.104 580 D CA 0.384 54.392 54.000 0.014 0.000 0.840 580 D CB 1.621 42.430 40.800 0.016 0.000 1.100 580 D HN 0.700 nan 8.370 nan 0.000 0.477 581 A N 2.038 124.855 122.820 -0.005 0.000 2.304 581 A HA 0.540 4.863 4.320 0.004 0.000 0.271 581 A C 0.661 178.238 177.584 -0.012 0.000 1.091 581 A CA -0.521 51.510 52.037 -0.010 0.000 0.812 581 A CB 0.508 19.500 19.000 -0.014 0.000 1.056 581 A HN 0.522 nan 8.150 nan 0.000 0.489 582 S N 0.126 115.820 115.700 -0.011 0.000 2.693 582 S HA 0.299 4.771 4.470 0.004 0.000 0.276 582 S C 0.835 175.427 174.600 -0.013 0.000 1.192 582 S CA 0.026 58.219 58.200 -0.011 0.000 0.994 582 S CB 1.110 64.306 63.200 -0.007 0.000 1.012 582 S HN 0.724 nan 8.310 nan 0.000 0.550 583 Q N 0.545 120.337 119.800 -0.012 0.000 2.124 583 Q HA -0.113 4.229 4.340 0.004 0.000 0.202 583 Q C 1.604 177.602 176.000 -0.003 0.000 0.977 583 Q CA 2.079 57.875 55.803 -0.012 0.000 0.850 583 Q CB -0.549 28.182 28.738 -0.011 0.000 0.901 583 Q HN 0.869 nan 8.270 nan 0.000 0.429 584 E N -0.128 120.072 120.200 -0.000 0.000 2.204 584 E HA -0.141 4.211 4.350 0.004 0.000 0.194 584 E C 1.387 177.990 176.600 0.004 0.000 0.989 584 E CA 1.036 57.439 56.400 0.006 0.000 0.824 584 E CB 0.030 29.733 29.700 0.005 0.000 0.756 584 E HN 0.493 nan 8.360 nan 0.000 0.477 585 Q N -0.222 119.576 119.800 -0.004 0.000 2.415 585 Q HA 0.085 4.427 4.340 0.004 0.000 0.206 585 Q C -0.365 175.633 176.000 -0.003 0.000 0.946 585 Q CA 0.478 56.275 55.803 -0.010 0.000 0.951 585 Q CB 0.582 29.309 28.738 -0.019 0.000 1.026 585 Q HN -0.009 nan 8.270 nan 0.000 0.510 586 T N 1.005 115.562 114.554 0.006 0.000 2.991 586 T HA 0.057 4.409 4.350 0.004 0.000 0.347 586 T C -1.020 173.697 174.700 0.029 0.000 1.122 586 T CA -0.751 61.356 62.100 0.012 0.000 1.062 586 T CB 0.886 69.749 68.868 -0.008 0.000 1.043 586 T HN 0.017 nan 8.240 nan 0.000 0.491 587 D N 3.134 123.566 120.400 0.053 0.000 2.349 587 D HA 0.048 4.691 4.640 0.004 0.000 0.266 587 D C 1.224 177.571 176.300 0.079 0.000 1.293 587 D CA -0.182 53.862 54.000 0.074 0.000 0.926 587 D CB 0.955 41.818 40.800 0.104 0.000 1.090 587 D HN 0.180 nan 8.370 nan 0.000 0.502 588 V N 4.125 124.079 119.914 0.068 0.000 2.515 588 V HA -0.193 3.929 4.120 0.004 0.000 0.250 588 V C 2.277 178.435 176.094 0.107 0.000 1.058 588 V CA 1.616 63.960 62.300 0.073 0.000 1.064 588 V CB -0.394 31.462 31.823 0.055 0.000 0.675 588 V HN 0.568 nan 8.190 nan 0.000 0.461 589 E N 0.277 120.539 120.200 0.104 0.000 2.046 589 E HA -0.161 4.191 4.350 0.004 0.000 0.190 589 E C 2.372 179.047 176.600 0.124 0.000 0.982 589 E CA 1.394 57.861 56.400 0.111 0.000 0.800 589 E CB -0.162 29.597 29.700 0.099 0.000 0.756 589 E HN 0.691 nan 8.360 nan 0.000 0.449 590 S N -0.199 115.578 115.700 0.128 0.000 2.453 590 S HA -0.088 4.385 4.470 0.004 0.000 0.231 590 S C 1.904 176.594 174.600 0.149 0.000 1.005 590 S CA 0.523 58.806 58.200 0.138 0.000 0.949 590 S CB -0.054 63.239 63.200 0.154 0.000 0.774 590 S HN 0.117 nan 8.310 nan 0.000 0.510 591 M N 1.668 121.366 119.600 0.163 0.000 2.296 591 M HA 0.121 4.603 4.480 0.004 0.000 0.265 591 M C 2.565 179.064 176.300 0.332 0.000 1.064 591 M CA 1.194 56.628 55.300 0.224 0.000 1.109 591 M CB -1.780 30.929 32.600 0.182 0.000 1.396 591 M HN 0.587 nan 8.290 nan 0.000 0.430 592 A N 0.561 123.539 122.820 0.263 0.000 1.948 592 A HA -0.133 4.190 4.320 0.004 0.000 0.220 592 A C 2.166 179.798 177.584 0.081 0.000 1.177 592 A CA 2.133 54.306 52.037 0.227 0.000 0.636 592 A CB -1.165 17.928 19.000 0.154 0.000 0.815 592 A HN 0.441 nan 8.150 nan 0.000 0.449 593 V N -2.341 117.614 119.914 0.069 0.000 2.913 593 V HA -0.035 4.087 4.120 0.004 0.000 0.260 593 V C 1.814 177.883 176.094 -0.042 0.000 1.098 593 V CA 1.610 63.907 62.300 -0.005 0.000 1.121 593 V CB -0.858 30.967 31.823 0.002 0.000 0.714 593 V HN 0.461 nan 8.190 nan 0.000 0.487 594 L N 0.329 121.563 121.223 0.019 0.000 2.599 594 L HA 0.244 4.586 4.340 0.004 0.000 0.230 594 L C 1.305 177.994 176.870 -0.301 0.000 1.141 594 L CA 0.271 55.109 54.840 -0.004 0.000 0.877 594 L CB -0.386 41.792 42.059 0.198 0.000 1.009 594 L HN 0.434 nan 8.230 nan 0.000 0.447 595 E N 3.652 123.453 120.200 -0.665 0.000 2.417 595 E HA 0.018 4.371 4.350 0.004 0.000 0.261 595 E C -1.952 174.281 176.600 -0.613 0.000 1.000 595 E CA -1.555 54.028 56.400 -1.362 0.000 0.919 595 E CB 0.744 29.658 29.700 -1.310 0.000 0.955 595 E HN -0.018 nan 8.360 nan 0.000 0.455 596 P HA 0.008 nan 4.420 nan 0.000 0.232 596 P C 0.760 178.099 177.300 0.065 0.000 1.814 596 P CA -0.080 62.959 63.100 -0.102 0.000 1.085 596 P CB 0.398 32.110 31.700 0.020 0.000 1.901 597 V N 0.324 120.238 119.914 -0.001 0.000 2.759 597 V HA 0.144 4.267 4.120 0.004 0.000 0.256 597 V C 0.861 177.025 176.094 0.116 0.000 1.080 597 V CA 1.102 63.462 62.300 0.100 0.000 1.101 597 V CB -1.062 30.761 31.823 -0.001 0.000 0.698 597 V HN 0.397 nan 8.190 nan 0.000 0.477 598 A N 0.324 123.186 122.820 0.071 0.000 2.343 598 A HA 0.718 5.040 4.320 0.004 0.000 0.316 598 A C -1.158 176.542 177.584 0.194 0.000 1.104 598 A CA -0.223 51.876 52.037 0.102 0.000 0.768 598 A CB 1.500 20.504 19.000 0.006 0.000 1.213 598 A HN 0.330 nan 8.150 nan 0.000 0.456 599 D N 2.081 122.655 120.400 0.290 0.000 2.328 599 D HA 0.368 5.010 4.640 0.004 0.000 0.243 599 D C 1.146 177.591 176.300 0.241 0.000 1.324 599 D CA 0.364 54.565 54.000 0.335 0.000 0.966 599 D CB 0.897 41.967 40.800 0.450 0.000 1.324 599 D HN 0.511 nan 8.370 nan 0.000 0.549 600 G N 1.347 110.178 108.800 0.051 0.000 2.470 600 G HA2 -0.233 3.730 3.960 0.004 0.000 0.220 600 G HA3 -0.233 3.730 3.960 0.004 0.000 0.220 600 G C 1.180 175.971 174.900 -0.180 0.000 1.121 600 G CA 0.411 45.443 45.100 -0.112 0.000 0.766 600 G HN 0.495 nan 8.290 nan 0.000 0.553 601 F N 0.042 120.028 119.950 0.059 0.000 2.502 601 F HA 0.170 4.699 4.527 0.003 0.000 0.298 601 F C 2.541 178.207 175.800 -0.224 0.000 1.111 601 F CA 0.649 58.555 58.000 -0.157 0.000 1.445 601 F CB 0.253 39.089 39.000 -0.273 0.000 1.081 601 F HN -0.006 nan 8.300 nan 0.000 0.558 602 R N -0.168 120.412 120.500 0.133 0.000 2.546 602 R HA 0.098 4.440 4.340 0.004 0.000 0.320 602 R C -0.012 176.369 176.300 0.135 0.000 1.021 602 R CA -0.226 55.936 56.100 0.103 0.000 1.088 602 R CB -0.116 30.300 30.300 0.193 0.000 1.278 602 R HN -0.052 nan 8.270 nan 0.000 0.557 603 N N 1.246 120.005 118.700 0.097 0.000 2.714 603 N HA -0.281 4.461 4.740 0.004 0.000 0.252 603 N C -1.613 174.020 175.510 0.205 0.000 1.014 603 N CA 0.957 54.075 53.050 0.112 0.000 0.735 603 N CB -0.888 37.652 38.487 0.088 0.000 0.924 603 N HN 0.365 nan 8.380 nan 0.000 0.540 604 Y N 0.012 120.363 120.300 0.085 0.000 2.364 604 Y HA 0.667 5.220 4.550 0.005 0.000 0.340 604 Y C -0.790 175.174 175.900 0.106 0.000 0.975 604 Y CA -0.919 57.241 58.100 0.100 0.000 1.089 604 Y CB 1.086 39.618 38.460 0.120 0.000 1.192 604 Y HN 0.118 nan 8.280 nan 0.000 0.454 605 L N 7.471 128.331 121.223 -0.606 0.000 2.441 605 L HA 0.394 4.736 4.340 0.004 0.000 0.270 605 L C 0.727 177.156 176.870 -0.735 0.000 0.973 605 L CA -0.623 53.925 54.840 -0.486 0.000 0.842 605 L CB 2.139 44.090 42.059 -0.179 0.000 1.239 605 L HN 0.707 nan 8.230 nan 0.000 0.406 606 K N 1.776 121.816 120.400 -0.600 0.000 2.097 606 K HA 0.055 4.377 4.320 0.004 0.000 0.205 606 K C 0.703 177.168 176.600 -0.225 0.000 1.050 606 K CA 1.232 57.325 56.287 -0.323 0.000 0.938 606 K CB 0.316 32.836 32.500 0.033 0.000 0.718 606 K HN 0.824 nan 8.250 nan 0.000 0.442 607 G N -0.228 108.334 108.800 -0.397 0.000 2.827 607 G HA2 0.202 4.164 3.960 0.004 0.000 0.296 607 G HA3 0.202 4.164 3.960 0.004 0.000 0.296 607 G C -1.754 172.586 174.900 -0.932 0.000 1.362 607 G CA -0.732 44.031 45.100 -0.561 0.000 0.809 607 G HN 0.018 nan 8.290 nan 0.000 0.522 608 K N 0.014 120.013 120.400 -0.669 0.000 2.276 608 K HA 0.445 4.767 4.320 0.004 0.000 0.283 608 K C -1.327 174.899 176.600 -0.622 0.000 1.044 608 K CA -0.186 55.782 56.287 -0.531 0.000 0.944 608 K CB 0.507 32.859 32.500 -0.246 0.000 1.012 608 K HN 0.515 nan 8.250 nan 0.000 0.472 609 Y N 1.756 122.024 120.300 -0.054 0.000 2.570 609 Y HA 0.349 4.901 4.550 0.003 0.000 0.345 609 Y C 1.276 177.146 175.900 -0.050 0.000 1.014 609 Y CA -1.175 56.892 58.100 -0.055 0.000 1.063 609 Y CB 1.697 40.116 38.460 -0.069 0.000 1.272 609 Y HN 0.489 nan 8.280 nan 0.000 0.477 610 R N 0.235 120.811 120.500 0.128 0.000 2.236 610 R HA 0.092 4.434 4.340 0.004 0.000 0.208 610 R C -0.463 175.847 176.300 0.016 0.000 1.036 610 R CA 0.324 56.450 56.100 0.044 0.000 1.001 610 R CB 0.073 30.385 30.300 0.021 0.000 0.896 610 R HN 0.251 nan 8.270 nan 0.000 0.464 611 V N 3.644 123.570 119.914 0.019 0.000 2.465 611 V HA 0.192 4.314 4.120 0.004 0.000 0.279 611 V C -2.085 174.014 176.094 0.008 0.000 1.045 611 V CA -2.126 60.154 62.300 -0.033 0.000 0.938 611 V CB 1.305 33.066 31.823 -0.104 0.000 0.986 611 V HN 0.017 nan 8.190 nan 0.000 0.467 612 P HA 0.174 nan 4.420 nan 0.000 0.268 612 P C 0.640 177.939 177.300 -0.001 0.000 1.205 612 P CA -0.149 62.956 63.100 0.008 0.000 0.771 612 P CB 0.836 32.537 31.700 0.002 0.000 0.858 613 A N 3.421 126.251 122.820 0.017 0.000 1.978 613 A HA -0.222 4.101 4.320 0.004 0.000 0.220 613 A C 1.863 179.428 177.584 -0.032 0.000 1.170 613 A CA 1.657 53.700 52.037 0.011 0.000 0.636 613 A CB -0.930 18.086 19.000 0.026 0.000 0.810 613 A HN 0.697 nan 8.150 nan 0.000 0.448 614 E N 0.192 120.361 120.200 -0.051 0.000 2.152 614 E HA -0.098 4.254 4.350 0.004 0.000 0.192 614 E C 1.846 178.378 176.600 -0.114 0.000 0.983 614 E CA 1.480 57.818 56.400 -0.104 0.000 0.818 614 E CB -0.891 28.729 29.700 -0.134 0.000 0.758 614 E HN 0.339 nan 8.360 nan 0.000 0.467 615 V N 1.955 121.817 119.914 -0.086 0.000 2.358 615 V HA -0.217 3.905 4.120 0.004 0.000 0.246 615 V C 2.650 178.689 176.094 -0.091 0.000 1.047 615 V CA 1.411 63.657 62.300 -0.090 0.000 1.035 615 V CB -0.526 31.247 31.823 -0.083 0.000 0.658 615 V HN 0.206 nan 8.190 nan 0.000 0.452 616 L N -0.694 120.481 121.223 -0.081 0.000 2.141 616 L HA -0.150 4.192 4.340 0.004 0.000 0.209 616 L C 2.426 179.261 176.870 -0.057 0.000 1.094 616 L CA 1.065 55.858 54.840 -0.077 0.000 0.763 616 L CB -0.583 41.434 42.059 -0.070 0.000 0.908 616 L HN 0.359 nan 8.230 nan 0.000 0.437 617 L N -0.377 120.798 121.223 -0.080 0.000 2.017 617 L HA -0.138 4.204 4.340 0.004 0.000 0.208 617 L C 2.348 179.178 176.870 -0.067 0.000 1.073 617 L CA 1.639 56.406 54.840 -0.121 0.000 0.745 617 L CB -0.357 41.588 42.059 -0.191 0.000 0.894 617 L HN -0.103 nan 8.230 nan 0.000 0.432 618 V N 0.145 120.012 119.914 -0.078 0.000 2.515 618 V HA -0.280 3.842 4.120 0.004 0.000 0.250 618 V C 2.291 178.377 176.094 -0.014 0.000 1.058 618 V CA 1.872 64.141 62.300 -0.051 0.000 1.064 618 V CB -0.805 30.956 31.823 -0.103 0.000 0.675 618 V HN 0.634 nan 8.190 nan 0.000 0.461 619 D N 0.249 120.631 120.400 -0.029 0.000 2.117 619 D HA -0.227 4.415 4.640 0.004 0.000 0.198 619 D C 2.114 178.429 176.300 0.025 0.000 0.982 619 D CA 1.419 55.404 54.000 -0.026 0.000 0.828 619 D CB -0.087 40.674 40.800 -0.065 0.000 0.967 619 D HN 0.249 nan 8.370 nan 0.000 0.464 620 K N 0.434 120.878 120.400 0.073 0.000 2.057 620 K HA 0.020 4.342 4.320 0.004 0.000 0.207 620 K C 1.894 178.652 176.600 0.264 0.000 1.049 620 K CA 1.540 57.931 56.287 0.173 0.000 0.931 620 K CB -0.788 31.868 32.500 0.260 0.000 0.714 620 K HN 0.144 nan 8.250 nan 0.000 0.440 621 A N 0.843 123.855 122.820 0.319 0.000 1.908 621 A HA -0.236 4.087 4.320 0.004 0.000 0.218 621 A C 2.247 179.929 177.584 0.163 0.000 1.181 621 A CA 1.816 54.047 52.037 0.324 0.000 0.627 621 A CB -0.745 18.444 19.000 0.316 0.000 0.818 621 A HN 0.502 nan 8.150 nan 0.000 0.445 622 Q N -0.155 119.702 119.800 0.095 0.000 2.061 622 Q HA -0.153 4.189 4.340 0.004 0.000 0.204 622 Q C 2.109 178.146 176.000 0.061 0.000 0.984 622 Q CA 1.727 57.563 55.803 0.055 0.000 0.846 622 Q CB -0.320 28.427 28.738 0.016 0.000 0.902 622 Q HN 0.728 nan 8.270 nan 0.000 0.421 623 L N 0.271 121.526 121.223 0.053 0.000 2.131 623 L HA -0.176 4.167 4.340 0.004 0.000 0.210 623 L C 2.294 179.217 176.870 0.088 0.000 1.092 623 L CA 0.722 55.581 54.840 0.032 0.000 0.759 623 L CB -0.311 41.748 42.059 -0.000 0.000 0.903 623 L HN 0.193 nan 8.230 nan 0.000 0.435 624 L N -0.229 121.064 121.223 0.118 0.000 2.599 624 L HA -0.018 4.325 4.340 0.004 0.000 0.230 624 L C 1.226 178.167 176.870 0.118 0.000 1.141 624 L CA 0.696 55.615 54.840 0.131 0.000 0.877 624 L CB -0.641 41.450 42.059 0.053 0.000 1.009 624 L HN 0.558 nan 8.230 nan 0.000 0.447 625 T N -3.231 111.395 114.554 0.120 0.000 4.712 625 T HA -0.238 4.115 4.350 0.004 0.000 0.304 625 T C 0.025 174.771 174.700 0.078 0.000 1.250 625 T CA 0.506 62.667 62.100 0.101 0.000 2.371 625 T CB -2.668 66.268 68.868 0.112 0.000 1.829 625 T HN 0.196 nan 8.240 nan 0.000 0.953 626 L N 2.021 123.296 121.223 0.086 0.000 2.350 626 L HA 0.626 4.968 4.340 0.004 0.000 0.275 626 L C 1.366 178.300 176.870 0.106 0.000 1.099 626 L CA -0.442 54.455 54.840 0.094 0.000 0.808 626 L CB 1.329 43.464 42.059 0.125 0.000 1.149 626 L HN 0.568 nan 8.230 nan 0.000 0.442 627 S N 1.588 117.368 115.700 0.133 0.000 2.655 627 S HA 0.388 4.860 4.470 0.004 0.000 0.265 627 S C 1.061 175.788 174.600 0.211 0.000 1.240 627 S CA -0.151 58.163 58.200 0.190 0.000 0.986 627 S CB 1.505 64.866 63.200 0.269 0.000 0.985 627 S HN 0.684 nan 8.310 nan 0.000 0.562 628 A N 0.866 123.879 122.820 0.321 0.000 1.902 628 A HA 0.119 4.441 4.320 0.004 0.000 0.217 628 A C -0.424 177.339 177.584 0.297 0.000 1.181 628 A CA 1.313 53.522 52.037 0.286 0.000 0.623 628 A CB -2.125 17.070 19.000 0.326 0.000 0.818 628 A HN 0.720 nan 8.150 nan 0.000 0.443 629 P HA -0.139 nan 4.420 nan 0.000 0.216 629 P C 1.153 178.583 177.300 0.217 0.000 1.153 629 P CA 1.432 64.697 63.100 0.274 0.000 0.848 629 P CB -0.064 31.776 31.700 0.234 0.000 0.787 630 E N -0.881 119.425 120.200 0.176 0.000 2.077 630 E HA -0.194 4.158 4.350 0.004 0.000 0.193 630 E C 2.012 178.699 176.600 0.145 0.000 0.989 630 E CA 1.082 57.550 56.400 0.113 0.000 0.800 630 E CB -0.551 29.201 29.700 0.086 0.000 0.746 630 E HN 0.213 nan 8.360 nan 0.000 0.452 631 M N 0.703 120.448 119.600 0.241 0.000 2.108 631 M HA -0.187 4.296 4.480 0.004 0.000 0.261 631 M C 2.023 178.539 176.300 0.360 0.000 1.066 631 M CA 1.642 57.179 55.300 0.396 0.000 1.107 631 M CB -0.145 32.696 32.600 0.402 0.000 1.356 631 M HN 0.019 nan 8.290 nan 0.000 0.406 632 T N 0.891 115.634 114.554 0.315 0.000 2.674 632 T HA -0.145 4.207 4.350 0.004 0.000 0.265 632 T C 1.773 176.553 174.700 0.133 0.000 1.039 632 T CA 2.174 64.421 62.100 0.245 0.000 1.150 632 T CB -0.856 68.236 68.868 0.373 0.000 0.864 632 T HN 0.541 nan 8.240 nan 0.000 0.427 633 V N 0.714 120.628 119.914 -0.001 0.000 2.343 633 V HA -0.079 4.043 4.120 0.004 0.000 0.247 633 V C 2.397 178.602 176.094 0.185 0.000 1.051 633 V CA 1.398 63.658 62.300 -0.066 0.000 1.036 633 V CB -1.266 30.329 31.823 -0.380 0.000 0.654 633 V HN 0.291 nan 8.190 nan 0.000 0.451 634 L N 0.061 121.350 121.223 0.110 0.000 2.017 634 L HA -0.058 4.285 4.340 0.004 0.000 0.208 634 L C 2.377 179.342 176.870 0.159 0.000 1.073 634 L CA 2.312 57.222 54.840 0.117 0.000 0.745 634 L CB -0.651 41.379 42.059 -0.048 0.000 0.894 634 L HN 0.403 nan 8.230 nan 0.000 0.432 635 L N -0.984 120.295 121.223 0.093 0.000 2.027 635 L HA -0.047 4.295 4.340 0.004 0.000 0.206 635 L C 2.324 178.857 176.870 -0.561 0.000 1.074 635 L CA 1.682 56.421 54.840 -0.168 0.000 0.745 635 L CB -0.961 40.890 42.059 -0.345 0.000 0.898 635 L HN 0.375 nan 8.230 nan 0.000 0.433 636 G N -0.982 107.436 108.800 -0.636 0.000 2.440 636 G HA2 -0.246 3.716 3.960 0.004 0.000 0.218 636 G HA3 -0.246 3.716 3.960 0.004 0.000 0.218 636 G C 1.436 176.094 174.900 -0.403 0.000 1.154 636 G CA 0.659 45.179 45.100 -0.966 0.000 0.767 636 G HN 0.568 nan 8.290 nan 0.000 0.552 637 G N 0.763 109.574 108.800 0.018 0.000 2.404 637 G HA2 -0.092 3.871 3.960 0.004 0.000 0.215 637 G HA3 -0.092 3.871 3.960 0.004 0.000 0.215 637 G C 1.814 176.537 174.900 -0.295 0.000 1.174 637 G CA 0.636 45.630 45.100 -0.176 0.000 0.780 637 G HN 0.409 nan 8.290 nan 0.000 0.537 638 L N -0.028 121.120 121.223 -0.126 0.000 2.042 638 L HA -0.096 4.247 4.340 0.004 0.000 0.210 638 L C 3.203 179.932 176.870 -0.234 0.000 1.076 638 L CA 0.842 55.582 54.840 -0.168 0.000 0.749 638 L CB -0.346 41.585 42.059 -0.213 0.000 0.893 638 L HN 0.073 nan 8.230 nan 0.000 0.432 639 R N 0.086 120.389 120.500 -0.329 0.000 2.083 639 R HA -0.149 4.193 4.340 0.004 0.000 0.237 639 R C 2.170 178.332 176.300 -0.231 0.000 1.137 639 R CA 1.894 57.800 56.100 -0.323 0.000 0.951 639 R CB -1.047 28.951 30.300 -0.502 0.000 0.851 639 R HN 0.477 nan 8.270 nan 0.000 0.434 640 V N -1.733 118.041 119.914 -0.233 0.000 3.306 640 V HA 0.048 4.170 4.120 0.004 0.000 0.264 640 V C 1.927 177.932 176.094 -0.148 0.000 1.149 640 V CA 1.001 63.201 62.300 -0.166 0.000 1.143 640 V CB -0.461 31.266 31.823 -0.160 0.000 0.767 640 V HN 0.093 nan 8.190 nan 0.000 0.476 641 L N 1.343 122.459 121.223 -0.179 0.000 2.558 641 L HA 0.470 4.813 4.340 0.004 0.000 0.225 641 L C 1.758 178.566 176.870 -0.104 0.000 1.128 641 L CA 0.758 55.501 54.840 -0.161 0.000 0.868 641 L CB -0.399 41.528 42.059 -0.220 0.000 1.006 641 L HN 0.615 nan 8.230 nan 0.000 0.454 642 G N 0.135 108.880 108.800 -0.092 0.000 2.165 642 G HA2 -0.257 3.706 3.960 0.004 0.000 0.226 642 G HA3 -0.257 3.706 3.960 0.004 0.000 0.226 642 G C 0.726 175.605 174.900 -0.036 0.000 1.035 642 G CA 0.218 45.286 45.100 -0.054 0.000 0.744 642 G HN 0.390 nan 8.290 nan 0.000 0.501 643 A N -0.571 122.216 122.820 -0.056 0.000 2.208 643 A HA 0.322 4.644 4.320 0.004 0.000 0.209 643 A C 1.198 178.777 177.584 -0.008 0.000 1.161 643 A CA 0.583 52.604 52.037 -0.027 0.000 0.782 643 A CB -0.086 18.863 19.000 -0.084 0.000 0.816 643 A HN 0.464 nan 8.150 nan 0.000 0.477 644 N N 0.519 119.207 118.700 -0.020 0.000 2.412 644 N HA 0.159 4.901 4.740 0.004 0.000 0.254 644 N C -0.115 175.424 175.510 0.047 0.000 1.232 644 N CA 0.208 53.268 53.050 0.016 0.000 0.880 644 N CB 0.628 39.117 38.487 0.004 0.000 1.076 644 N HN 0.042 nan 8.380 nan 0.000 0.458 645 V N 1.617 121.580 119.914 0.082 0.000 2.694 645 V HA 0.147 4.269 4.120 0.004 0.000 0.306 645 V C 1.542 177.683 176.094 0.079 0.000 1.054 645 V CA 1.021 63.365 62.300 0.073 0.000 1.161 645 V CB 0.341 32.208 31.823 0.074 0.000 0.916 645 V HN 0.976 nan 8.190 nan 0.000 0.490 646 G N 3.737 112.572 108.800 0.058 0.000 2.168 646 G HA2 -0.286 3.676 3.960 0.004 0.000 0.257 646 G HA3 -0.286 3.676 3.960 0.004 0.000 0.257 646 G C 0.357 175.274 174.900 0.028 0.000 0.997 646 G CA 0.277 45.407 45.100 0.049 0.000 0.708 646 G HN 0.874 nan 8.290 nan 0.000 0.520 647 Q N -1.419 118.394 119.800 0.022 0.000 2.408 647 Q HA -0.223 4.119 4.340 0.004 0.000 0.290 647 Q C 0.943 176.936 176.000 -0.011 0.000 1.221 647 Q CA 1.431 57.239 55.803 0.007 0.000 0.895 647 Q CB -1.985 26.758 28.738 0.008 0.000 1.241 647 Q HN 1.430 nan 8.270 nan 0.000 0.494 648 S N -0.121 115.568 115.700 -0.019 0.000 2.558 648 S HA 0.038 4.511 4.470 0.004 0.000 0.291 648 S C 1.347 175.897 174.600 -0.083 0.000 1.306 648 S CA -0.020 58.128 58.200 -0.087 0.000 1.056 648 S CB 0.551 63.706 63.200 -0.075 0.000 0.836 648 S HN 0.306 nan 8.310 nan 0.000 0.504 649 R N 2.140 122.560 120.500 -0.134 0.000 2.297 649 R HA 0.065 4.407 4.340 0.004 0.000 0.197 649 R C -0.108 176.245 176.300 0.089 0.000 0.943 649 R CA 0.047 56.145 56.100 -0.004 0.000 1.038 649 R CB -0.430 29.902 30.300 0.053 0.000 0.957 649 R HN 0.657 nan 8.270 nan 0.000 0.484 650 H N 0.921 120.050 119.070 0.099 0.000 3.046 650 H HA 0.089 4.647 4.556 0.004 0.000 0.303 650 H C 1.520 176.815 175.328 -0.055 0.000 1.002 650 H CA 0.905 57.018 56.048 0.108 0.000 1.460 650 H CB 0.331 30.162 29.762 0.115 0.000 1.493 650 H HN 0.447 nan 8.280 nan 0.000 0.559 651 G N 2.628 111.366 108.800 -0.103 0.000 2.184 651 G HA2 -0.291 3.671 3.960 0.004 0.000 0.264 651 G HA3 -0.291 3.671 3.960 0.004 0.000 0.264 651 G C 0.353 174.692 174.900 -0.934 0.000 0.975 651 G CA 0.274 44.859 45.100 -0.858 0.000 0.642 651 G HN 0.548 nan 8.290 nan 0.000 0.536 652 V N 1.859 121.533 119.914 -0.400 0.000 2.071 652 V HA 0.331 4.453 4.120 0.004 0.000 0.254 652 V C 0.622 176.643 176.094 -0.121 0.000 1.456 652 V CA -0.074 62.107 62.300 -0.198 0.000 1.383 652 V CB -0.804 31.001 31.823 -0.030 0.000 1.433 652 V HN 0.335 nan 8.190 nan 0.000 0.499 653 F N 2.026 121.768 119.950 -0.346 0.000 2.640 653 F HA 0.411 4.941 4.527 0.005 0.000 0.354 653 F C 0.883 176.288 175.800 -0.660 0.000 1.213 653 F CA -0.178 57.188 58.000 -1.058 0.000 1.314 653 F CB 0.384 38.672 39.000 -1.186 0.000 1.679 653 F HN 0.387 nan 8.300 nan 0.000 0.622 654 T N -0.265 114.253 114.554 -0.060 0.000 2.885 654 T HA 0.543 4.895 4.350 0.004 0.000 0.322 654 T C -0.011 174.843 174.700 0.256 0.000 1.387 654 T CA -0.195 61.970 62.100 0.108 0.000 1.041 654 T CB 1.664 70.541 68.868 0.014 0.000 1.287 654 T HN 0.235 nan 8.240 nan 0.000 0.491 655 A N 2.942 125.891 122.820 0.216 0.000 2.348 655 A HA 0.337 4.659 4.320 0.004 0.000 0.224 655 A C 0.917 178.555 177.584 0.090 0.000 1.227 655 A CA -0.188 51.945 52.037 0.160 0.000 0.885 655 A CB -0.035 19.047 19.000 0.136 0.000 0.933 655 A HN 0.672 nan 8.150 nan 0.000 0.506 656 R N 0.588 121.129 120.500 0.068 0.000 2.738 656 R HA 0.367 4.709 4.340 0.004 0.000 0.280 656 R C -0.574 175.734 176.300 0.014 0.000 1.456 656 R CA -0.412 55.709 56.100 0.036 0.000 1.612 656 R CB -0.038 30.280 30.300 0.030 0.000 1.286 656 R HN 0.361 nan 8.270 nan 0.000 0.660 657 E N 1.897 122.107 120.200 0.017 0.000 2.437 657 E HA -0.116 4.236 4.350 0.004 0.000 0.263 657 E C -0.229 176.357 176.600 -0.023 0.000 1.030 657 E CA 0.574 56.969 56.400 -0.009 0.000 0.934 657 E CB 0.465 30.168 29.700 0.003 0.000 0.943 657 E HN 0.486 nan 8.360 nan 0.000 0.444 658 Q N -1.326 118.444 119.800 -0.050 0.000 2.424 658 Q HA -0.255 4.088 4.340 0.004 0.000 0.234 658 Q C -1.056 174.908 176.000 -0.060 0.000 0.748 658 Q CA 0.649 56.416 55.803 -0.060 0.000 1.286 658 Q CB -1.765 26.949 28.738 -0.041 0.000 1.494 658 Q HN 0.485 nan 8.270 nan 0.000 0.683 659 A N 0.805 123.594 122.820 -0.053 0.000 2.318 659 A HA 0.634 4.956 4.320 0.004 0.000 0.324 659 A C -0.454 177.092 177.584 -0.062 0.000 1.170 659 A CA -0.598 51.416 52.037 -0.039 0.000 0.810 659 A CB 1.030 20.027 19.000 -0.004 0.000 1.198 659 A HN 0.176 nan 8.150 nan 0.000 0.484 660 L N 3.897 125.080 121.223 -0.067 0.000 2.385 660 L HA 0.469 4.811 4.340 0.004 0.000 0.285 660 L C 0.568 177.467 176.870 0.048 0.000 1.125 660 L CA 0.921 55.710 54.840 -0.084 0.000 0.890 660 L CB -0.398 41.553 42.059 -0.181 0.000 1.251 660 L HN 0.855 nan 8.230 nan 0.000 0.445 661 T N 0.274 114.843 114.554 0.025 0.000 2.865 661 T HA 0.394 4.746 4.350 0.004 0.000 0.294 661 T C 0.510 174.928 174.700 -0.471 0.000 1.119 661 T CA -0.541 61.529 62.100 -0.051 0.000 1.007 661 T CB 1.202 70.051 68.868 -0.031 0.000 1.225 661 T HN 0.475 nan 8.240 nan 0.000 0.515 662 N N 0.005 118.373 118.700 -0.555 0.000 2.362 662 N HA 0.050 4.792 4.740 0.004 0.000 0.211 662 N C 0.248 175.636 175.510 -0.203 0.000 1.170 662 N CA -0.110 52.548 53.050 -0.653 0.000 0.828 662 N CB -0.341 37.948 38.487 -0.330 0.000 1.034 662 N HN 0.544 nan 8.380 nan 0.000 0.475 663 D N 0.575 120.865 120.400 -0.184 0.000 2.182 663 D HA -0.169 4.473 4.640 0.004 0.000 0.201 663 D C 1.214 177.433 176.300 -0.135 0.000 0.986 663 D CA 0.679 54.619 54.000 -0.100 0.000 0.847 663 D CB -0.325 40.435 40.800 -0.067 0.000 0.942 663 D HN 0.366 nan 8.370 nan 0.000 0.467 664 F N 0.340 120.051 119.950 -0.398 0.000 2.095 664 F HA -0.223 4.307 4.527 0.004 0.000 0.298 664 F C 1.901 177.453 175.800 -0.413 0.000 1.104 664 F CA 1.455 59.160 58.000 -0.492 0.000 1.232 664 F CB -0.392 38.090 39.000 -0.862 0.000 0.987 664 F HN -0.112 nan 8.300 nan 0.000 0.475 665 F N -0.531 119.407 119.950 -0.020 0.000 2.128 665 F HA -0.124 4.405 4.527 0.004 0.000 0.295 665 F C 2.322 178.066 175.800 -0.092 0.000 1.100 665 F CA 1.192 59.166 58.000 -0.044 0.000 1.260 665 F CB -1.119 37.918 39.000 0.062 0.000 1.009 665 F HN -0.241 nan 8.300 nan 0.000 0.476 666 V N 0.503 120.471 119.914 0.090 0.000 2.295 666 V HA -0.300 3.822 4.120 0.004 0.000 0.246 666 V C 2.122 178.204 176.094 -0.020 0.000 1.049 666 V CA 2.030 64.356 62.300 0.042 0.000 1.024 666 V CB -0.642 31.205 31.823 0.040 0.000 0.648 666 V HN 0.361 nan 8.190 nan 0.000 0.447 667 N N -0.020 118.619 118.700 -0.101 0.000 2.171 667 N HA -0.104 4.639 4.740 0.004 0.000 0.184 667 N C 1.759 177.102 175.510 -0.277 0.000 1.021 667 N CA 1.291 54.244 53.050 -0.162 0.000 0.854 667 N CB -0.444 37.843 38.487 -0.332 0.000 0.994 667 N HN 0.396 nan 8.380 nan 0.000 0.426 668 L N 1.339 122.313 121.223 -0.415 0.000 2.043 668 L HA -0.067 4.276 4.340 0.004 0.000 0.212 668 L C 1.663 178.445 176.870 -0.148 0.000 1.075 668 L CA 1.538 56.128 54.840 -0.417 0.000 0.752 668 L CB -0.491 41.258 42.059 -0.518 0.000 0.891 668 L HN 0.115 nan 8.230 nan 0.000 0.432 669 L N -0.487 120.698 121.223 -0.064 0.000 2.591 669 L HA 0.088 4.430 4.340 0.004 0.000 0.228 669 L C 0.228 177.117 176.870 0.032 0.000 1.133 669 L CA -0.242 54.602 54.840 0.007 0.000 0.880 669 L CB -0.576 41.509 42.059 0.043 0.000 1.033 669 L HN 0.200 nan 8.230 nan 0.000 0.450 670 D N 0.857 121.281 120.400 0.039 0.000 2.346 670 D HA -0.037 4.606 4.640 0.004 0.000 0.260 670 D C 0.925 177.267 176.300 0.070 0.000 1.252 670 D CA -0.003 54.029 54.000 0.054 0.000 0.895 670 D CB 1.233 42.072 40.800 0.065 0.000 1.097 670 D HN -0.081 nan 8.370 nan 0.000 0.489 671 M N 3.410 123.040 119.600 0.049 0.000 2.630 671 M HA 0.128 4.610 4.480 0.004 0.000 0.254 671 M C 1.740 178.055 176.300 0.024 0.000 1.092 671 M CA 0.730 56.057 55.300 0.045 0.000 1.087 671 M CB -0.309 32.308 32.600 0.029 0.000 1.453 671 M HN 0.424 nan 8.290 nan 0.000 0.509 672 G N -0.921 107.886 108.800 0.013 0.000 2.679 672 G HA2 -0.036 3.927 3.960 0.004 0.000 0.212 672 G HA3 -0.036 3.927 3.960 0.004 0.000 0.212 672 G C 0.292 175.161 174.900 -0.051 0.000 1.137 672 G CA 0.484 45.574 45.100 -0.016 0.000 0.787 672 G HN 0.452 nan 8.290 nan 0.000 0.534 673 T N 0.157 114.683 114.554 -0.046 0.000 2.797 673 T HA 0.455 4.808 4.350 0.004 0.000 0.279 673 T C -0.758 173.838 174.700 -0.174 0.000 0.991 673 T CA -0.476 61.523 62.100 -0.169 0.000 0.979 673 T CB 2.549 71.297 68.868 -0.200 0.000 0.943 673 T HN 0.238 nan 8.240 nan 0.000 0.444 674 E N 2.201 122.245 120.200 -0.260 0.000 2.179 674 E HA 0.397 4.750 4.350 0.004 0.000 0.275 674 E C -1.321 175.106 176.600 -0.288 0.000 0.945 674 E CA -0.823 55.492 56.400 -0.141 0.000 0.792 674 E CB 1.033 30.690 29.700 -0.072 0.000 1.125 674 E HN 0.543 nan 8.360 nan 0.000 0.397 675 W N 3.226 124.538 121.300 0.019 0.000 2.573 675 W HA 0.481 5.143 4.660 0.003 0.000 0.326 675 W C -0.307 176.279 176.519 0.112 0.000 1.049 675 W CA -0.625 56.758 57.345 0.063 0.000 1.220 675 W CB 1.512 30.981 29.460 0.016 0.000 1.373 675 W HN 0.261 nan 8.180 nan 0.000 0.507 676 K N 3.237 123.871 120.400 0.389 0.000 2.498 676 K HA 0.390 4.712 4.320 0.004 0.000 0.254 676 K C -2.664 174.140 176.600 0.339 0.000 0.933 676 K CA -1.932 54.545 56.287 0.318 0.000 0.806 676 K CB 2.674 35.263 32.500 0.149 0.000 1.301 676 K HN 0.037 nan 8.250 nan 0.000 0.432 677 P HA -0.018 nan 4.420 nan 0.000 0.272 677 P C -0.351 176.879 177.300 -0.117 0.000 1.223 677 P CA -0.209 62.767 63.100 -0.206 0.000 0.784 677 P CB 0.425 31.972 31.700 -0.255 0.000 0.923 678 T N -1.557 112.889 114.554 -0.181 0.000 2.899 678 T HA 0.376 4.729 4.350 0.004 0.000 0.295 678 T C 1.500 176.152 174.700 -0.081 0.000 1.033 678 T CA -0.102 61.945 62.100 -0.088 0.000 1.084 678 T CB 0.681 69.508 68.868 -0.069 0.000 0.979 678 T HN 0.401 nan 8.240 nan 0.000 0.532 679 A N 2.117 124.911 122.820 -0.043 0.000 1.902 679 A HA 0.196 4.518 4.320 0.004 0.000 0.217 679 A C 2.597 180.158 177.584 -0.038 0.000 1.181 679 A CA 1.586 53.602 52.037 -0.034 0.000 0.623 679 A CB -1.406 17.583 19.000 -0.019 0.000 0.818 679 A HN 1.245 nan 8.150 nan 0.000 0.443 680 A N -1.741 121.058 122.820 -0.035 0.000 2.014 680 A HA 0.117 4.440 4.320 0.004 0.000 0.218 680 A C 0.742 178.299 177.584 -0.046 0.000 1.163 680 A CA 1.447 53.466 52.037 -0.030 0.000 0.652 680 A CB -0.004 18.987 19.000 -0.015 0.000 0.808 680 A HN 0.406 nan 8.150 nan 0.000 0.449 681 D N -2.390 117.966 120.400 -0.074 0.000 2.452 681 D HA 0.480 5.123 4.640 0.004 0.000 0.226 681 D C 0.310 176.497 176.300 -0.187 0.000 1.366 681 D CA 0.283 54.221 54.000 -0.104 0.000 0.986 681 D CB 1.183 41.932 40.800 -0.084 0.000 1.420 681 D HN 0.017 nan 8.370 nan 0.000 0.583 682 A N 2.941 125.653 122.820 -0.180 0.000 2.209 682 A HA -0.048 4.274 4.320 0.004 0.000 0.212 682 A C 1.121 178.457 177.584 -0.412 0.000 1.158 682 A CA 0.833 52.717 52.037 -0.256 0.000 0.742 682 A CB 0.126 19.049 19.000 -0.128 0.000 0.790 682 A HN 0.452 nan 8.150 nan 0.000 0.472 683 D N -0.780 119.436 120.400 -0.307 0.000 2.349 683 D HA 0.196 4.838 4.640 0.004 0.000 0.214 683 D C -0.139 175.981 176.300 -0.300 0.000 1.063 683 D CA 0.376 54.237 54.000 -0.230 0.000 0.847 683 D CB 0.611 41.368 40.800 -0.071 0.000 0.933 683 D HN 0.162 nan 8.370 nan 0.000 0.513 684 V N 1.014 120.642 119.914 -0.476 0.000 2.628 684 V HA 0.423 4.545 4.120 0.004 0.000 0.306 684 V C -0.615 175.165 176.094 -0.523 0.000 1.045 684 V CA -0.732 61.352 62.300 -0.360 0.000 0.905 684 V CB 1.823 33.505 31.823 -0.234 0.000 0.997 684 V HN -0.161 nan 8.190 nan 0.000 0.436 685 F N 1.523 121.508 119.950 0.059 0.000 2.551 685 F HA 0.556 5.085 4.527 0.004 0.000 0.316 685 F C 0.319 176.307 175.800 0.313 0.000 1.089 685 F CA -0.692 57.431 58.000 0.206 0.000 0.915 685 F CB 1.862 41.021 39.000 0.264 0.000 1.186 685 F HN 0.396 nan 8.300 nan 0.000 0.456 686 E N 0.932 121.369 120.200 0.394 0.000 2.166 686 E HA 0.539 4.891 4.350 0.004 0.000 0.275 686 E C -0.291 176.293 176.600 -0.026 0.000 0.941 686 E CA -0.735 55.782 56.400 0.196 0.000 0.784 686 E CB 1.903 31.648 29.700 0.074 0.000 1.115 686 E HN 0.796 nan 8.360 nan 0.000 0.399 687 G N 3.259 111.772 108.800 -0.477 0.000 2.415 687 G HA2 0.396 4.359 3.960 0.004 0.000 0.317 687 G HA3 0.396 4.359 3.960 0.004 0.000 0.317 687 G C -0.400 174.093 174.900 -0.678 0.000 1.152 687 G CA -0.486 43.820 45.100 -1.323 0.000 0.956 687 G HN 0.330 nan 8.290 nan 0.000 0.458 688 R N 1.861 122.052 120.500 -0.516 0.000 2.637 688 R HA 0.239 4.581 4.340 0.004 0.000 0.291 688 R C -0.626 175.503 176.300 -0.284 0.000 0.963 688 R CA -0.922 54.984 56.100 -0.322 0.000 0.901 688 R CB 2.002 32.180 30.300 -0.203 0.000 1.160 688 R HN 0.564 nan 8.270 nan 0.000 0.457 689 D N 1.887 122.147 120.400 -0.234 0.000 2.531 689 D HA -0.085 4.557 4.640 0.004 0.000 0.239 689 D C 0.716 176.939 176.300 -0.128 0.000 1.144 689 D CA 0.654 54.551 54.000 -0.171 0.000 0.869 689 D CB 0.827 41.538 40.800 -0.149 0.000 1.160 689 D HN 0.430 nan 8.370 nan 0.000 0.484 690 R N 2.725 123.164 120.500 -0.102 0.000 2.115 690 R HA -0.130 4.213 4.340 0.004 0.000 0.230 690 R C 1.883 178.148 176.300 -0.058 0.000 1.111 690 R CA 1.450 57.507 56.100 -0.072 0.000 0.976 690 R CB 0.037 30.307 30.300 -0.050 0.000 0.870 690 R HN 0.528 nan 8.270 nan 0.000 0.445 691 A N -0.135 122.650 122.820 -0.059 0.000 1.861 691 A HA -0.099 4.223 4.320 0.004 0.000 0.212 691 A C 2.137 179.691 177.584 -0.051 0.000 1.199 691 A CA 1.672 53.680 52.037 -0.048 0.000 0.613 691 A CB -0.474 18.500 19.000 -0.044 0.000 0.846 691 A HN 0.440 nan 8.150 nan 0.000 0.446 692 T N -5.232 109.284 114.554 -0.063 0.000 3.040 692 T HA 0.404 4.756 4.350 0.004 0.000 0.252 692 T C 1.490 176.150 174.700 -0.067 0.000 1.064 692 T CA 1.256 63.318 62.100 -0.062 0.000 1.110 692 T CB 0.237 69.064 68.868 -0.069 0.000 0.921 692 T HN 1.742 nan 8.240 nan 0.000 0.480 693 G N 1.360 110.111 108.800 -0.082 0.000 2.176 693 G HA2 -0.255 3.708 3.960 0.004 0.000 0.253 693 G HA3 -0.255 3.708 3.960 0.004 0.000 0.253 693 G C -0.157 174.682 174.900 -0.102 0.000 0.979 693 G CA 0.224 45.273 45.100 -0.086 0.000 0.641 693 G HN 0.889 nan 8.290 nan 0.000 0.530 694 E N 0.266 120.397 120.200 -0.116 0.000 2.384 694 E HA 0.375 4.727 4.350 0.004 0.000 0.266 694 E C 0.476 176.971 176.600 -0.176 0.000 1.012 694 E CA -0.816 55.505 56.400 -0.132 0.000 0.901 694 E CB 0.355 29.974 29.700 -0.136 0.000 0.967 694 E HN 0.330 nan 8.360 nan 0.000 0.435 695 L N 5.335 126.461 121.223 -0.163 0.000 2.462 695 L HA 0.042 4.385 4.340 0.004 0.000 0.272 695 L C 0.517 177.215 176.870 -0.287 0.000 1.166 695 L CA 0.859 55.584 54.840 -0.191 0.000 0.880 695 L CB 0.505 42.494 42.059 -0.116 0.000 1.142 695 L HN 0.631 nan 8.230 nan 0.000 0.473 696 K N 3.558 123.704 120.400 -0.424 0.000 2.306 696 K HA 0.213 4.535 4.320 0.004 0.000 0.200 696 K C -0.742 175.356 176.600 -0.837 0.000 1.083 696 K CA 0.598 56.411 56.287 -0.790 0.000 0.959 696 K CB 0.354 32.254 32.500 -1.000 0.000 0.994 696 K HN 0.582 nan 8.250 nan 0.000 0.492 697 W N 0.343 121.567 121.300 -0.127 0.000 3.074 697 W HA 0.258 4.920 4.660 0.003 0.000 0.332 697 W C -0.764 175.861 176.519 0.177 0.000 1.253 697 W CA -1.060 56.331 57.345 0.077 0.000 1.180 697 W CB 1.007 30.517 29.460 0.083 0.000 1.445 697 W HN -0.202 nan 8.180 nan 0.000 0.573 698 T N -0.719 114.259 114.554 0.707 0.000 2.907 698 T HA 0.932 5.284 4.350 0.004 0.000 0.292 698 T C -0.475 174.700 174.700 0.792 0.000 1.043 698 T CA -0.638 61.863 62.100 0.668 0.000 1.003 698 T CB 1.968 71.169 68.868 0.555 0.000 1.084 698 T HN 0.951 nan 8.240 nan 0.000 0.483 699 G N 0.596 109.751 108.800 0.592 0.000 2.692 699 G HA2 0.668 4.631 3.960 0.004 0.000 0.291 699 G HA3 0.668 4.631 3.960 0.004 0.000 0.291 699 G C -0.414 174.601 174.900 0.192 0.000 1.423 699 G CA -0.397 44.937 45.100 0.391 0.000 0.843 699 G HN 1.081 nan 8.290 nan 0.000 0.486 700 T N -2.088 112.544 114.554 0.131 0.000 2.884 700 T HA 0.387 4.739 4.350 0.004 0.000 0.277 700 T C 1.398 176.217 174.700 0.199 0.000 0.976 700 T CA -0.591 61.603 62.100 0.156 0.000 0.956 700 T CB 1.714 70.631 68.868 0.083 0.000 1.113 700 T HN 0.455 nan 8.240 nan 0.000 0.554 701 R N -0.376 120.260 120.500 0.226 0.000 2.105 701 R HA -0.053 4.290 4.340 0.004 0.000 0.239 701 R C 2.287 178.585 176.300 -0.003 0.000 1.135 701 R CA 1.138 57.291 56.100 0.088 0.000 0.967 701 R CB -0.971 29.399 30.300 0.118 0.000 0.861 701 R HN 0.470 nan 8.270 nan 0.000 0.442 702 V N 1.599 121.534 119.914 0.034 0.000 2.427 702 V HA -0.226 3.896 4.120 0.004 0.000 0.248 702 V C 1.646 177.837 176.094 0.161 0.000 1.051 702 V CA 1.848 64.172 62.300 0.040 0.000 1.048 702 V CB -0.389 31.444 31.823 0.017 0.000 0.666 702 V HN 0.283 nan 8.190 nan 0.000 0.456 703 D N 0.203 120.687 120.400 0.140 0.000 2.084 703 D HA -0.103 4.539 4.640 0.004 0.000 0.196 703 D C 2.092 178.510 176.300 0.197 0.000 0.985 703 D CA 1.233 55.376 54.000 0.237 0.000 0.826 703 D CB -0.177 40.707 40.800 0.141 0.000 0.978 703 D HN 0.319 nan 8.370 nan 0.000 0.456 704 L N 0.816 121.994 121.223 -0.074 0.000 2.395 704 L HA -0.023 4.320 4.340 0.004 0.000 0.218 704 L C 2.476 179.217 176.870 -0.216 0.000 1.130 704 L CA 0.145 54.800 54.840 -0.308 0.000 0.826 704 L CB -0.151 41.522 42.059 -0.644 0.000 0.941 704 L HN -0.073 nan 8.230 nan 0.000 0.451 705 V N -0.017 119.804 119.914 -0.154 0.000 2.490 705 V HA -0.276 3.847 4.120 0.004 0.000 0.250 705 V C 2.164 178.113 176.094 -0.242 0.000 1.061 705 V CA 1.740 63.900 62.300 -0.233 0.000 1.064 705 V CB -0.376 31.256 31.823 -0.319 0.000 0.670 705 V HN 0.274 nan 8.190 nan 0.000 0.461 706 F N 0.868 120.820 119.950 0.003 0.000 2.451 706 F HA 0.088 4.617 4.527 0.004 0.000 0.299 706 F C 2.125 177.949 175.800 0.039 0.000 1.101 706 F CA 1.196 59.249 58.000 0.088 0.000 1.436 706 F CB -0.500 38.645 39.000 0.242 0.000 1.074 706 F HN 0.308 nan 8.300 nan 0.000 0.553 707 G N -2.185 106.643 108.800 0.047 0.000 3.159 707 G HA2 0.084 4.046 3.960 0.004 0.000 0.232 707 G HA3 0.084 4.046 3.960 0.004 0.000 0.232 707 G C 1.288 176.135 174.900 -0.089 0.000 1.116 707 G CA 0.692 45.764 45.100 -0.046 0.000 0.767 707 G HN 0.323 nan 8.290 nan 0.000 0.547 708 S N -0.940 114.705 115.700 -0.091 0.000 3.148 708 S HA 0.129 4.601 4.470 0.004 0.000 0.246 708 S C 0.714 175.265 174.600 -0.082 0.000 1.041 708 S CA -0.339 57.795 58.200 -0.111 0.000 0.813 708 S CB -0.313 62.795 63.200 -0.154 0.000 0.813 708 S HN 0.319 nan 8.310 nan 0.000 0.546 709 H N 2.797 121.776 119.070 -0.152 0.000 3.004 709 H HA 0.121 4.679 4.556 0.004 0.000 0.316 709 H C 1.494 176.762 175.328 -0.100 0.000 1.014 709 H CA 1.056 57.020 56.048 -0.140 0.000 1.454 709 H CB 1.200 30.865 29.762 -0.162 0.000 1.472 709 H HN 0.531 nan 8.280 nan 0.000 0.571 710 S N 2.846 118.334 115.700 -0.353 0.000 2.402 710 S HA -0.184 4.288 4.470 0.004 0.000 0.229 710 S C 1.851 176.441 174.600 -0.018 0.000 1.021 710 S CA 1.132 59.227 58.200 -0.175 0.000 0.974 710 S CB -0.019 63.037 63.200 -0.240 0.000 0.800 710 S HN 0.774 nan 8.310 nan 0.000 0.484 711 Q N 0.675 120.538 119.800 0.105 0.000 2.096 711 Q HA 0.145 4.488 4.340 0.004 0.000 0.197 711 Q C 2.192 178.328 176.000 0.227 0.000 0.964 711 Q CA 0.941 56.870 55.803 0.210 0.000 0.838 711 Q CB -0.182 28.734 28.738 0.297 0.000 0.906 711 Q HN 0.579 nan 8.270 nan 0.000 0.444 712 L N 0.127 121.524 121.223 0.289 0.000 2.083 712 L HA -0.166 4.176 4.340 0.004 0.000 0.209 712 L C 2.687 179.696 176.870 0.231 0.000 1.083 712 L CA 1.140 56.086 54.840 0.176 0.000 0.752 712 L CB -0.419 41.598 42.059 -0.070 0.000 0.899 712 L HN 0.224 nan 8.230 nan 0.000 0.433 713 R N 0.354 120.955 120.500 0.169 0.000 2.096 713 R HA -0.157 4.185 4.340 0.004 0.000 0.235 713 R C 2.357 178.730 176.300 0.122 0.000 1.127 713 R CA 1.293 57.479 56.100 0.143 0.000 0.968 713 R CB -0.183 30.157 30.300 0.066 0.000 0.861 713 R HN 0.332 nan 8.270 nan 0.000 0.440 714 A N 0.945 123.822 122.820 0.095 0.000 1.940 714 A HA -0.144 4.179 4.320 0.004 0.000 0.219 714 A C 2.120 179.746 177.584 0.071 0.000 1.176 714 A CA 1.257 53.333 52.037 0.064 0.000 0.631 714 A CB -0.463 18.564 19.000 0.046 0.000 0.814 714 A HN 0.335 nan 8.150 nan 0.000 0.446 715 L N -1.073 120.228 121.223 0.130 0.000 2.072 715 L HA -0.120 4.222 4.340 0.004 0.000 0.205 715 L C 3.079 180.047 176.870 0.163 0.000 1.079 715 L CA 0.950 55.882 54.840 0.154 0.000 0.752 715 L CB -0.659 41.552 42.059 0.252 0.000 0.906 715 L HN 0.408 nan 8.230 nan 0.000 0.436 716 A N 0.122 123.085 122.820 0.238 0.000 1.933 716 A HA -0.226 4.097 4.320 0.004 0.000 0.218 716 A C 2.163 179.811 177.584 0.107 0.000 1.175 716 A CA 1.662 53.846 52.037 0.246 0.000 0.628 716 A CB -0.438 18.846 19.000 0.473 0.000 0.814 716 A HN 0.447 nan 8.150 nan 0.000 0.444 717 E N -0.430 119.820 120.200 0.083 0.000 2.085 717 E HA -0.139 4.213 4.350 0.004 0.000 0.194 717 E C 1.978 178.554 176.600 -0.040 0.000 0.994 717 E CA 1.322 57.741 56.400 0.032 0.000 0.801 717 E CB -0.279 29.435 29.700 0.023 0.000 0.743 717 E HN 0.416 nan 8.360 nan 0.000 0.453 718 V N 0.324 120.167 119.914 -0.118 0.000 2.287 718 V HA -0.273 3.849 4.120 0.004 0.000 0.248 718 V C 1.758 177.657 176.094 -0.326 0.000 1.053 718 V CA 1.834 63.977 62.300 -0.261 0.000 1.027 718 V CB -0.559 31.010 31.823 -0.424 0.000 0.646 718 V HN 0.332 nan 8.190 nan 0.000 0.447 719 Y N 0.417 120.590 120.300 -0.212 0.000 2.516 719 Y HA 0.141 4.694 4.550 0.005 0.000 0.291 719 Y C 2.300 178.093 175.900 -0.179 0.000 1.131 719 Y CA 0.715 58.635 58.100 -0.299 0.000 1.281 719 Y CB -0.176 37.802 38.460 -0.803 0.000 1.013 719 Y HN 0.316 nan 8.280 nan 0.000 0.554 720 G N -1.028 107.795 108.800 0.038 0.000 3.189 720 G HA2 0.057 4.019 3.960 0.004 0.000 0.225 720 G HA3 0.057 4.019 3.960 0.004 0.000 0.225 720 G C 0.255 175.193 174.900 0.065 0.000 1.159 720 G CA -0.149 45.027 45.100 0.126 0.000 0.763 720 G HN 0.061 nan 8.290 nan 0.000 0.549 721 S N -0.266 115.450 115.700 0.027 0.000 2.617 721 S HA 0.477 4.949 4.470 0.004 0.000 0.269 721 S C 1.682 176.301 174.600 0.031 0.000 1.292 721 S CA 0.005 58.215 58.200 0.017 0.000 1.010 721 S CB 1.647 64.839 63.200 -0.012 0.000 0.944 721 S HN 0.325 nan 8.310 nan 0.000 0.536 722 A N 1.454 124.291 122.820 0.028 0.000 2.019 722 A HA -0.127 4.195 4.320 0.004 0.000 0.219 722 A C 1.468 179.076 177.584 0.040 0.000 1.164 722 A CA 1.674 53.732 52.037 0.034 0.000 0.644 722 A CB -0.538 18.478 19.000 0.026 0.000 0.805 722 A HN 0.852 nan 8.150 nan 0.000 0.449 723 D N -1.049 119.370 120.400 0.032 0.000 2.325 723 D HA 0.360 5.002 4.640 0.004 0.000 0.225 723 D C 0.853 177.184 176.300 0.052 0.000 1.096 723 D CA 0.721 54.743 54.000 0.036 0.000 0.844 723 D CB -0.035 40.776 40.800 0.018 0.000 0.925 723 D HN 0.288 nan 8.370 nan 0.000 0.513 724 A N -0.096 122.765 122.820 0.068 0.000 2.431 724 A HA 0.105 4.427 4.320 0.004 0.000 0.239 724 A C 1.888 179.587 177.584 0.191 0.000 1.230 724 A CA 0.050 52.147 52.037 0.099 0.000 0.928 724 A CB 0.070 19.107 19.000 0.062 0.000 1.006 724 A HN 0.124 nan 8.150 nan 0.000 0.520 725 Q N 0.757 120.664 119.800 0.179 0.000 2.084 725 Q HA -0.159 4.183 4.340 0.004 0.000 0.202 725 Q C 1.749 177.900 176.000 0.252 0.000 0.978 725 Q CA 2.133 58.077 55.803 0.234 0.000 0.844 725 Q CB -0.174 28.700 28.738 0.225 0.000 0.898 725 Q HN 0.552 nan 8.270 nan 0.000 0.426 726 E N 0.291 120.628 120.200 0.227 0.000 2.072 726 E HA -0.183 4.169 4.350 0.004 0.000 0.191 726 E C 1.804 178.485 176.600 0.135 0.000 0.985 726 E CA 1.143 57.654 56.400 0.184 0.000 0.801 726 E CB -0.115 29.696 29.700 0.184 0.000 0.750 726 E HN 0.445 nan 8.360 nan 0.000 0.452 727 K N 0.030 120.527 120.400 0.160 0.000 2.063 727 K HA -0.180 4.142 4.320 0.004 0.000 0.208 727 K C 2.168 178.917 176.600 0.248 0.000 1.048 727 K CA 1.212 57.599 56.287 0.167 0.000 0.928 727 K CB -0.344 32.235 32.500 0.131 0.000 0.713 727 K HN 0.022 nan 8.250 nan 0.000 0.442 728 F N 1.272 121.346 119.950 0.208 0.000 2.069 728 F HA -0.213 4.316 4.527 0.004 0.000 0.298 728 F C 1.796 177.648 175.800 0.087 0.000 1.113 728 F CA 1.477 59.593 58.000 0.193 0.000 1.214 728 F CB -0.524 38.578 39.000 0.169 0.000 0.978 728 F HN -0.186 nan 8.300 nan 0.000 0.474 729 V N 1.361 121.206 119.914 -0.115 0.000 2.287 729 V HA -0.295 3.828 4.120 0.004 0.000 0.248 729 V C 2.670 178.664 176.094 -0.166 0.000 1.053 729 V CA 2.152 64.295 62.300 -0.262 0.000 1.027 729 V CB -0.675 30.952 31.823 -0.326 0.000 0.646 729 V HN 0.289 nan 8.190 nan 0.000 0.447 730 R N 0.073 120.532 120.500 -0.069 0.000 2.073 730 R HA -0.097 4.246 4.340 0.004 0.000 0.229 730 R C 1.960 178.245 176.300 -0.025 0.000 1.120 730 R CA 1.422 57.510 56.100 -0.020 0.000 0.967 730 R CB -0.996 29.317 30.300 0.021 0.000 0.862 730 R HN 0.513 nan 8.270 nan 0.000 0.436 731 D N 0.319 120.706 120.400 -0.021 0.000 2.144 731 D HA -0.147 4.495 4.640 0.004 0.000 0.199 731 D C 1.638 177.862 176.300 -0.126 0.000 0.984 731 D CA 0.755 54.740 54.000 -0.026 0.000 0.834 731 D CB -0.346 40.505 40.800 0.084 0.000 0.955 731 D HN 0.106 nan 8.370 nan 0.000 0.465 732 F N 1.235 120.958 119.950 -0.379 0.000 2.102 732 F HA -0.202 4.327 4.527 0.003 0.000 0.298 732 F C 2.200 177.913 175.800 -0.146 0.000 1.105 732 F CA 1.006 58.779 58.000 -0.379 0.000 1.239 732 F CB -0.246 38.343 39.000 -0.684 0.000 0.991 732 F HN -0.216 nan 8.300 nan 0.000 0.474 733 V N 0.589 120.495 119.914 -0.013 0.000 2.332 733 V HA -0.341 3.782 4.120 0.004 0.000 0.248 733 V C 2.704 178.788 176.094 -0.016 0.000 1.055 733 V CA 1.808 64.121 62.300 0.021 0.000 1.038 733 V CB -1.590 30.262 31.823 0.048 0.000 0.651 733 V HN 0.504 nan 8.190 nan 0.000 0.450 734 A N -0.594 122.194 122.820 -0.053 0.000 1.877 734 A HA -0.176 4.146 4.320 0.004 0.000 0.216 734 A C 2.466 179.995 177.584 -0.091 0.000 1.186 734 A CA 2.087 54.094 52.037 -0.049 0.000 0.620 734 A CB -0.776 18.203 19.000 -0.034 0.000 0.822 734 A HN 0.338 nan 8.150 nan 0.000 0.443 735 V N -0.616 119.206 119.914 -0.153 0.000 2.427 735 V HA -0.190 3.932 4.120 0.004 0.000 0.248 735 V C 2.056 178.023 176.094 -0.210 0.000 1.051 735 V CA 1.932 64.124 62.300 -0.180 0.000 1.048 735 V CB -0.516 31.193 31.823 -0.190 0.000 0.666 735 V HN 0.785 nan 8.190 nan 0.000 0.456 736 W N 1.111 122.105 121.300 -0.509 0.000 2.302 736 W HA -0.346 4.315 4.660 0.002 0.000 0.320 736 W C 2.299 178.701 176.519 -0.194 0.000 1.241 736 W CA 2.496 59.604 57.345 -0.396 0.000 1.264 736 W CB -0.638 28.551 29.460 -0.453 0.000 1.154 736 W HN 0.499 nan 8.180 nan 0.000 0.483 737 N N 0.865 119.521 118.700 -0.073 0.000 2.120 737 N HA -0.249 4.493 4.740 0.004 0.000 0.188 737 N C 1.918 177.297 175.510 -0.218 0.000 1.024 737 N CA 2.420 55.394 53.050 -0.127 0.000 0.852 737 N CB -0.700 37.778 38.487 -0.015 0.000 1.003 737 N HN 0.179 nan 8.380 nan 0.000 0.424 738 K N -0.040 120.243 120.400 -0.195 0.000 2.020 738 K HA -0.128 4.195 4.320 0.004 0.000 0.212 738 K C 1.675 178.094 176.600 -0.300 0.000 1.050 738 K CA 1.629 57.787 56.287 -0.216 0.000 0.929 738 K CB -0.269 32.135 32.500 -0.160 0.000 0.714 738 K HN 0.053 nan 8.250 nan 0.000 0.443 739 V N 1.446 121.160 119.914 -0.333 0.000 2.343 739 V HA -0.266 3.856 4.120 0.004 0.000 0.247 739 V C 2.472 178.281 176.094 -0.475 0.000 1.051 739 V CA 1.593 63.654 62.300 -0.399 0.000 1.036 739 V CB -0.387 31.212 31.823 -0.374 0.000 0.654 739 V HN 0.431 nan 8.190 nan 0.000 0.451 740 M N 0.183 119.468 119.600 -0.525 0.000 2.279 740 M HA -0.082 4.401 4.480 0.004 0.000 0.264 740 M C 1.333 177.420 176.300 -0.356 0.000 1.062 740 M CA 1.365 56.395 55.300 -0.450 0.000 1.099 740 M CB -1.186 31.167 32.600 -0.412 0.000 1.394 740 M HN 0.390 nan 8.290 nan 0.000 0.426 741 N N 0.064 118.544 118.700 -0.368 0.000 2.235 741 N HA 0.197 4.939 4.740 0.004 0.000 0.209 741 N C 1.531 176.733 175.510 -0.514 0.000 1.122 741 N CA 0.076 52.900 53.050 -0.378 0.000 0.845 741 N CB 0.212 38.511 38.487 -0.312 0.000 1.004 741 N HN 0.339 nan 8.380 nan 0.000 0.499 742 L N 0.699 121.545 121.223 -0.628 0.000 2.079 742 L HA -0.178 4.164 4.340 0.004 0.000 0.210 742 L C 1.270 177.347 176.870 -1.321 0.000 1.081 742 L CA 1.335 55.572 54.840 -1.004 0.000 0.752 742 L CB -0.146 41.165 42.059 -1.246 0.000 0.896 742 L HN 0.135 nan 8.230 nan 0.000 0.433 743 D N -1.702 118.160 120.400 -0.898 0.000 2.342 743 D HA -0.060 4.583 4.640 0.004 0.000 0.221 743 D C 0.821 176.760 176.300 -0.602 0.000 1.101 743 D CA -0.071 53.582 54.000 -0.580 0.000 0.837 743 D CB -0.027 40.759 40.800 -0.024 0.000 0.938 743 D HN -0.007 nan 8.370 nan 0.000 0.508 744 R N 0.846 120.934 120.500 -0.687 0.000 4.680 744 R HA 0.189 4.531 4.340 0.004 0.000 0.222 744 R C 0.129 176.190 176.300 -0.398 0.000 1.803 744 R CA -0.361 55.487 56.100 -0.421 0.000 1.560 744 R CB -1.263 28.831 30.300 -0.343 0.000 1.412 744 R HN 0.258 nan 8.270 nan 0.000 0.815 745 F N 0.766 120.672 119.950 -0.074 0.000 2.502 745 F HA -0.143 4.386 4.527 0.003 0.000 0.298 745 F C 2.063 177.834 175.800 -0.050 0.000 1.111 745 F CA 0.800 58.773 58.000 -0.046 0.000 1.445 745 F CB 0.041 39.036 39.000 -0.009 0.000 1.081 745 F HN 0.256 nan 8.300 nan 0.000 0.558 746 D N 0.889 121.333 120.400 0.073 0.000 2.309 746 D HA -0.176 4.466 4.640 0.004 0.000 0.212 746 D C 1.444 177.726 176.300 -0.031 0.000 0.968 746 D CA 1.141 55.146 54.000 0.008 0.000 0.882 746 D CB -0.458 40.327 40.800 -0.025 0.000 0.918 746 D HN 0.359 nan 8.370 nan 0.000 0.503 747 L N -0.294 120.892 121.223 -0.062 0.000 2.693 747 L HA 0.398 4.740 4.340 0.004 0.000 0.235 747 L C 1.317 178.153 176.870 -0.056 0.000 1.127 747 L CA -0.431 54.362 54.840 -0.078 0.000 0.914 747 L CB 0.221 42.204 42.059 -0.128 0.000 1.193 747 L HN -0.037 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.810 122.820 -0.016 0.000 2.254 748 A HA 0.000 4.322 4.320 0.004 0.000 0.244 748 A CA 0.000 52.043 52.037 0.010 0.000 0.836 748 A CB 0.000 19.055 19.000 0.091 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486