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 2fxj_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAXHSA 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 0.000 175.472 175.510 -0.063 0.000 1.280 35 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 35 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 36 G N 1.240 110.011 108.800 -0.049 0.000 2.398 36 G HA2 0.453 4.415 3.960 0.004 0.000 0.246 36 G HA3 0.453 4.415 3.960 0.004 0.000 0.246 36 G C 0.118 174.967 174.900 -0.086 0.000 1.289 36 G CA 1.025 46.098 45.100 -0.044 0.000 0.869 36 G HN 0.746 nan 8.290 nan 0.000 0.543 37 T N 1.355 115.841 114.554 -0.114 0.000 2.851 37 T HA 0.431 4.783 4.350 0.004 0.000 0.298 37 T C 0.878 175.467 174.700 -0.186 0.000 0.977 37 T CA -0.090 61.843 62.100 -0.278 0.000 1.126 37 T CB 1.009 69.585 68.868 -0.486 0.000 0.916 37 T HN 0.800 nan 8.240 nan 0.000 0.529 38 S N 2.563 118.113 115.700 -0.250 0.000 2.704 38 S HA 0.390 4.862 4.470 0.004 0.000 0.305 38 S C 1.059 175.654 174.600 -0.008 0.000 1.107 38 S CA -0.974 57.190 58.200 -0.059 0.000 0.993 38 S CB 1.077 64.256 63.200 -0.036 0.000 1.110 38 S HN 0.473 nan 8.310 nan 0.000 0.534 39 N N 0.911 119.733 118.700 0.204 0.000 2.205 39 N HA -0.088 4.654 4.740 0.004 0.000 0.186 39 N C 1.612 177.280 175.510 0.263 0.000 1.015 39 N CA 1.033 54.324 53.050 0.401 0.000 0.862 39 N CB -0.581 38.175 38.487 0.449 0.000 0.986 39 N HN 0.660 nan 8.380 nan 0.000 0.429 40 R N 0.672 121.242 120.500 0.116 0.000 2.115 40 R HA -0.066 4.276 4.340 0.004 0.000 0.230 40 R C 0.693 176.967 176.300 -0.044 0.000 1.111 40 R CA 1.093 57.233 56.100 0.065 0.000 0.976 40 R CB 0.152 30.475 30.300 0.039 0.000 0.870 40 R HN 0.169 nan 8.270 nan 0.000 0.445 41 D N -0.819 119.469 120.400 -0.188 0.000 2.123 41 D HA -0.168 4.475 4.640 0.004 0.000 0.200 41 D C 1.558 177.612 176.300 -0.409 0.000 0.976 41 D CA 1.100 54.893 54.000 -0.346 0.000 0.831 41 D CB -0.364 40.106 40.800 -0.551 0.000 0.974 41 D HN 0.342 nan 8.370 nan 0.000 0.469 42 W N -0.270 120.768 121.300 -0.436 0.000 2.418 42 W HA -0.022 4.641 4.660 0.004 0.000 0.292 42 W C 0.702 176.635 176.519 -0.977 0.000 1.213 42 W CA -0.007 56.793 57.345 -0.908 0.000 1.283 42 W CB 0.132 28.528 29.460 -1.774 0.000 1.119 42 W HN -0.067 nan 8.180 nan 0.000 0.542 43 W N 1.144 122.566 121.300 0.204 0.000 1.890 43 W HA 0.237 4.899 4.660 0.004 0.000 0.293 43 W C -1.974 174.587 176.519 0.069 0.000 0.895 43 W CA -1.726 55.688 57.345 0.115 0.000 1.968 43 W CB -0.317 29.197 29.460 0.090 0.000 2.198 43 W HN -0.168 nan 8.180 nan 0.000 0.401 44 P HA -0.096 nan 4.420 nan 0.000 0.233 44 P C 0.669 178.029 177.300 0.100 0.000 1.167 44 P CA 1.190 64.344 63.100 0.089 0.000 0.770 44 P CB 0.462 32.180 31.700 0.029 0.000 0.837 45 N N -0.331 118.444 118.700 0.124 0.000 2.251 45 N HA 0.054 4.796 4.740 0.004 0.000 0.217 45 N C 0.546 176.117 175.510 0.103 0.000 1.124 45 N CA 0.102 53.209 53.050 0.095 0.000 0.843 45 N CB 0.125 38.660 38.487 0.081 0.000 1.024 45 N HN 0.227 nan 8.380 nan 0.000 0.501 46 Q N 0.879 120.765 119.800 0.142 0.000 2.260 46 Q HA 0.269 4.611 4.340 0.004 0.000 0.242 46 Q C -0.613 175.459 176.000 0.121 0.000 0.932 46 Q CA -0.639 55.243 55.803 0.132 0.000 0.891 46 Q CB 0.828 29.658 28.738 0.152 0.000 1.222 46 Q HN 0.077 nan 8.270 nan 0.000 0.453 47 L N 3.171 124.474 121.223 0.133 0.000 2.513 47 L HA 0.125 4.468 4.340 0.004 0.000 0.272 47 L C -0.726 176.217 176.870 0.121 0.000 1.187 47 L CA 0.835 55.721 54.840 0.076 0.000 0.895 47 L CB 0.311 42.365 42.059 -0.009 0.000 1.147 47 L HN 0.663 nan 8.230 nan 0.000 0.483 48 D N 4.407 124.836 120.400 0.049 0.000 2.428 48 D HA 0.163 4.806 4.640 0.004 0.000 0.221 48 D C 0.817 177.113 176.300 -0.007 0.000 1.123 48 D CA -0.027 54.005 54.000 0.054 0.000 0.869 48 D CB 0.493 41.318 40.800 0.041 0.000 1.032 48 D HN 0.602 nan 8.370 nan 0.000 0.506 49 L N 2.460 123.684 121.223 0.002 0.000 2.492 49 L HA -0.041 4.301 4.340 0.004 0.000 0.223 49 L C 2.255 179.067 176.870 -0.097 0.000 1.132 49 L CA 0.377 55.175 54.840 -0.071 0.000 0.850 49 L CB -0.233 41.812 42.059 -0.023 0.000 0.966 49 L HN 0.391 nan 8.230 nan 0.000 0.454 50 S N 0.855 116.558 115.700 0.005 0.000 2.440 50 S HA -0.212 4.261 4.470 0.004 0.000 0.238 50 S C 1.920 176.483 174.600 -0.062 0.000 1.010 50 S CA 1.160 59.373 58.200 0.022 0.000 0.972 50 S CB -0.808 62.427 63.200 0.059 0.000 0.774 50 S HN 0.623 nan 8.310 nan 0.000 0.501 51 I N -0.930 119.592 120.570 -0.080 0.000 2.567 51 I HA -0.021 4.151 4.170 0.004 0.000 0.257 51 I C 1.874 177.926 176.117 -0.108 0.000 1.184 51 I CA 1.260 62.517 61.300 -0.071 0.000 1.451 51 I CB -0.439 37.535 38.000 -0.045 0.000 1.089 51 I HN 0.230 nan 8.210 nan 0.000 0.441 52 L N 0.166 121.230 121.223 -0.265 0.000 2.492 52 L HA 0.037 4.380 4.340 0.004 0.000 0.223 52 L C 1.121 177.799 176.870 -0.321 0.000 1.132 52 L CA 0.740 55.379 54.840 -0.335 0.000 0.850 52 L CB -0.663 41.126 42.059 -0.450 0.000 0.966 52 L HN 0.403 nan 8.230 nan 0.000 0.454 53 H N -1.733 117.366 119.070 0.048 0.000 2.567 53 H HA 0.229 4.788 4.556 0.004 0.000 0.267 53 H C 0.306 175.641 175.328 0.011 0.000 1.148 53 H CA -0.596 55.477 56.048 0.042 0.000 1.031 53 H CB 0.637 30.422 29.762 0.038 0.000 1.691 53 H HN 0.011 nan 8.280 nan 0.000 0.588 54 R N 0.907 121.431 120.500 0.039 0.000 2.528 54 R HA 0.103 4.445 4.340 0.004 0.000 0.271 54 R C -0.066 176.199 176.300 -0.058 0.000 1.056 54 R CA -0.079 55.939 56.100 -0.137 0.000 1.117 54 R CB 0.160 30.293 30.300 -0.278 0.000 1.085 54 R HN 0.389 nan 8.270 nan 0.000 0.530 55 H N -0.716 118.395 119.070 0.068 0.000 2.839 55 H HA -0.169 4.390 4.556 0.004 0.000 0.298 55 H C -0.416 174.979 175.328 0.111 0.000 1.224 55 H CA 0.784 56.889 56.048 0.094 0.000 1.144 55 H CB -2.157 27.656 29.762 0.084 0.000 1.372 55 H HN 0.644 nan 8.280 nan 0.000 0.408 56 S N -0.376 115.410 115.700 0.143 0.000 2.634 56 S HA 0.274 4.746 4.470 0.004 0.000 0.261 56 S C 1.809 176.478 174.600 0.115 0.000 1.271 56 S CA -0.054 58.221 58.200 0.124 0.000 0.985 56 S CB 1.876 65.128 63.200 0.087 0.000 0.968 56 S HN 0.434 nan 8.310 nan 0.000 0.568 57 S N 0.959 116.714 115.700 0.091 0.000 2.419 57 S HA -0.114 4.358 4.470 0.004 0.000 0.235 57 S C 1.765 176.389 174.600 0.039 0.000 1.019 57 S CA 1.118 59.361 58.200 0.071 0.000 0.982 57 S CB -1.074 62.160 63.200 0.058 0.000 0.789 57 S HN 0.667 nan 8.310 nan 0.000 0.490 58 L N 2.064 123.307 121.223 0.035 0.000 2.046 58 L HA -0.071 4.271 4.340 0.004 0.000 0.208 58 L C 2.956 179.826 176.870 0.001 0.000 1.077 58 L CA 1.549 56.396 54.840 0.013 0.000 0.747 58 L CB -0.878 41.189 42.059 0.012 0.000 0.896 58 L HN 0.583 nan 8.230 nan 0.000 0.432 59 S N -2.285 113.429 115.700 0.023 0.000 2.603 59 S HA -0.038 4.434 4.470 0.004 0.000 0.220 59 S C 0.579 175.177 174.600 -0.003 0.000 0.967 59 S CA -0.212 58.004 58.200 0.027 0.000 0.920 59 S CB -0.306 62.927 63.200 0.055 0.000 0.773 59 S HN 0.276 nan 8.310 nan 0.000 0.529 60 D N 2.786 123.158 120.400 -0.047 0.000 2.274 60 D HA 0.322 4.964 4.640 0.004 0.000 0.239 60 D C -1.536 174.545 176.300 -0.364 0.000 1.104 60 D CA -2.270 51.595 54.000 -0.225 0.000 0.840 60 D CB 1.841 42.643 40.800 0.003 0.000 1.100 60 D HN 0.045 nan 8.370 nan 0.000 0.477 61 P HA 0.025 nan 4.420 nan 0.000 0.236 61 P C 0.296 177.358 177.300 -0.397 0.000 1.177 61 P CA 0.191 62.983 63.100 -0.513 0.000 0.773 61 P CB 0.252 31.545 31.700 -0.679 0.000 0.878 62 M N 0.082 119.444 119.600 -0.396 0.000 2.291 62 M HA 0.382 4.865 4.480 0.004 0.000 0.324 62 M C 1.231 177.489 176.300 -0.070 0.000 1.148 62 M CA -1.155 53.984 55.300 -0.268 0.000 1.104 62 M CB -0.137 32.284 32.600 -0.298 0.000 1.483 62 M HN -0.194 nan 8.290 nan 0.000 0.467 63 G N 1.178 109.982 108.800 0.006 0.000 2.690 63 G HA2 0.064 4.026 3.960 0.004 0.000 0.239 63 G HA3 0.064 4.026 3.960 0.004 0.000 0.239 63 G C 0.762 175.742 174.900 0.134 0.000 1.233 63 G CA -0.436 44.709 45.100 0.075 0.000 0.847 63 G HN 0.764 nan 8.290 nan 0.000 0.588 64 K N 0.033 120.493 120.400 0.099 0.000 2.147 64 K HA -0.080 4.242 4.320 0.004 0.000 0.205 64 K C 0.865 177.541 176.600 0.127 0.000 1.049 64 K CA 1.220 57.571 56.287 0.106 0.000 0.936 64 K CB 0.096 32.639 32.500 0.072 0.000 0.722 64 K HN 0.382 nan 8.250 nan 0.000 0.446 65 D N 0.150 120.626 120.400 0.127 0.000 2.325 65 D HA -0.004 4.638 4.640 0.004 0.000 0.234 65 D C -0.276 176.126 176.300 0.170 0.000 1.122 65 D CA -0.025 54.045 54.000 0.117 0.000 0.850 65 D CB -0.458 40.396 40.800 0.090 0.000 0.921 65 D HN -0.005 nan 8.370 nan 0.000 0.513 66 F N 2.040 122.041 119.950 0.084 0.000 2.472 66 F HA 0.239 4.769 4.527 0.004 0.000 0.364 66 F C 0.261 176.145 175.800 0.140 0.000 1.090 66 F CA -0.685 57.384 58.000 0.114 0.000 1.188 66 F CB 0.451 39.531 39.000 0.133 0.000 1.105 66 F HN -0.256 nan 8.300 nan 0.000 0.536 67 N N 6.192 124.529 118.700 -0.604 0.000 2.518 67 N HA 0.011 4.753 4.740 0.004 0.000 0.254 67 N C 0.380 175.448 175.510 -0.735 0.000 0.979 67 N CA -0.335 52.429 53.050 -0.478 0.000 0.930 67 N CB 0.392 38.759 38.487 -0.200 0.000 1.152 67 N HN 0.796 nan 8.380 nan 0.000 0.505 68 Y N 4.604 124.461 120.300 -0.739 0.000 2.181 68 Y HA -0.138 4.414 4.550 0.003 0.000 0.288 68 Y C 2.009 177.853 175.900 -0.093 0.000 1.146 68 Y CA 2.256 60.123 58.100 -0.388 0.000 1.164 68 Y CB -0.318 38.125 38.460 -0.029 0.000 0.982 68 Y HN 0.641 nan 8.280 nan 0.000 0.515 69 A N 0.251 122.916 122.820 -0.258 0.000 1.892 69 A HA -0.319 4.003 4.320 0.004 0.000 0.218 69 A C 2.137 179.624 177.584 -0.162 0.000 1.188 69 A CA 2.285 54.194 52.037 -0.213 0.000 0.631 69 A CB -0.849 18.106 19.000 -0.076 0.000 0.822 69 A HN 0.690 nan 8.150 nan 0.000 0.447 70 Q N -1.012 118.698 119.800 -0.151 0.000 2.167 70 Q HA 0.004 4.346 4.340 0.004 0.000 0.202 70 Q C 2.388 178.340 176.000 -0.081 0.000 0.970 70 Q CA 1.081 56.827 55.803 -0.095 0.000 0.855 70 Q CB -0.319 28.373 28.738 -0.077 0.000 0.911 70 Q HN 0.714 nan 8.270 nan 0.000 0.438 71 A N 0.520 123.276 122.820 -0.107 0.000 1.872 71 A HA -0.166 4.157 4.320 0.004 0.000 0.214 71 A C 1.828 179.386 177.584 -0.042 0.000 1.187 71 A CA 0.881 52.931 52.037 0.020 0.000 0.614 71 A CB -0.799 18.356 19.000 0.258 0.000 0.826 71 A HN 0.435 nan 8.150 nan 0.000 0.442 72 F N 1.314 121.040 119.950 -0.372 0.000 2.161 72 F HA -0.187 4.343 4.527 0.004 0.000 0.300 72 F C 2.208 177.915 175.800 -0.154 0.000 1.089 72 F CA 2.092 59.895 58.000 -0.329 0.000 1.282 72 F CB 0.013 38.651 39.000 -0.604 0.000 1.010 72 F HN 0.286 nan 8.300 nan 0.000 0.485 73 E N 0.121 120.264 120.200 -0.096 0.000 2.268 73 E HA -0.185 4.167 4.350 0.004 0.000 0.195 73 E C 1.764 178.274 176.600 -0.150 0.000 0.995 73 E CA 0.974 57.315 56.400 -0.100 0.000 0.836 73 E CB -0.263 29.423 29.700 -0.023 0.000 0.763 73 E HN 0.483 nan 8.360 nan 0.000 0.491 74 K N 0.507 120.827 120.400 -0.134 0.000 2.404 74 K HA 0.068 4.390 4.320 0.004 0.000 0.194 74 K C 0.511 177.035 176.600 -0.127 0.000 1.023 74 K CA -0.305 55.923 56.287 -0.098 0.000 1.094 74 K CB 0.215 32.692 32.500 -0.038 0.000 0.841 74 K HN -0.059 nan 8.250 nan 0.000 0.523 75 L N 1.945 123.019 121.223 -0.248 0.000 2.416 75 L HA 0.038 4.380 4.340 0.004 0.000 0.272 75 L C -0.115 176.615 176.870 -0.233 0.000 1.161 75 L CA 0.215 54.902 54.840 -0.254 0.000 0.845 75 L CB 0.587 42.351 42.059 -0.491 0.000 1.119 75 L HN -0.018 nan 8.230 nan 0.000 0.464 76 D N 4.177 124.502 120.400 -0.125 0.000 2.498 76 D HA -0.023 4.620 4.640 0.004 0.000 0.229 76 D C 1.003 177.190 176.300 -0.188 0.000 1.188 76 D CA -0.052 53.885 54.000 -0.104 0.000 1.028 76 D CB 0.289 41.090 40.800 0.001 0.000 1.087 76 D HN 0.628 nan 8.370 nan 0.000 0.510 77 L N 4.251 125.345 121.223 -0.215 0.000 2.046 77 L HA -0.074 4.268 4.340 0.004 0.000 0.208 77 L C 2.126 178.903 176.870 -0.154 0.000 1.077 77 L CA 2.040 56.752 54.840 -0.212 0.000 0.747 77 L CB -0.648 41.323 42.059 -0.146 0.000 0.896 77 L HN 0.371 nan 8.230 nan 0.000 0.432 78 A N -0.403 122.358 122.820 -0.098 0.000 1.892 78 A HA -0.206 4.116 4.320 0.004 0.000 0.218 78 A C 2.468 180.019 177.584 -0.055 0.000 1.188 78 A CA 2.162 54.163 52.037 -0.061 0.000 0.631 78 A CB -1.242 17.734 19.000 -0.041 0.000 0.822 78 A HN 0.582 nan 8.150 nan 0.000 0.447 79 A N -0.650 122.139 122.820 -0.053 0.000 1.902 79 A HA 0.009 4.331 4.320 0.004 0.000 0.217 79 A C 2.236 179.795 177.584 -0.042 0.000 1.181 79 A CA 1.801 53.844 52.037 0.010 0.000 0.623 79 A CB -1.008 18.058 19.000 0.110 0.000 0.818 79 A HN 0.447 nan 8.150 nan 0.000 0.443 80 V N 0.327 120.050 119.914 -0.318 0.000 2.287 80 V HA -0.315 3.807 4.120 0.004 0.000 0.248 80 V C 2.446 178.424 176.094 -0.193 0.000 1.053 80 V CA 2.453 64.461 62.300 -0.485 0.000 1.027 80 V CB -0.761 30.638 31.823 -0.707 0.000 0.646 80 V HN 0.549 nan 8.190 nan 0.000 0.447 81 K N -0.305 120.013 120.400 -0.137 0.000 2.097 81 K HA -0.131 4.191 4.320 0.004 0.000 0.205 81 K C 2.409 179.067 176.600 0.096 0.000 1.050 81 K CA 1.247 57.507 56.287 -0.046 0.000 0.938 81 K CB -0.250 32.241 32.500 -0.015 0.000 0.718 81 K HN 0.403 nan 8.250 nan 0.000 0.442 82 R N 0.961 121.504 120.500 0.072 0.000 2.083 82 R HA -0.143 4.199 4.340 0.004 0.000 0.237 82 R C 1.817 178.176 176.300 0.098 0.000 1.137 82 R CA 1.626 57.781 56.100 0.090 0.000 0.951 82 R CB -0.282 30.040 30.300 0.036 0.000 0.851 82 R HN 0.211 nan 8.270 nan 0.000 0.434 83 D N 0.697 121.140 120.400 0.071 0.000 2.144 83 D HA -0.132 4.511 4.640 0.004 0.000 0.199 83 D C 1.970 178.293 176.300 0.038 0.000 0.984 83 D CA 1.036 55.079 54.000 0.071 0.000 0.834 83 D CB -0.110 40.763 40.800 0.121 0.000 0.955 83 D HN 0.182 nan 8.370 nan 0.000 0.465 84 L N 0.109 121.323 121.223 -0.015 0.000 2.093 84 L HA -0.140 4.202 4.340 0.004 0.000 0.208 84 L C 2.493 179.318 176.870 -0.074 0.000 1.085 84 L CA 0.866 55.648 54.840 -0.098 0.000 0.755 84 L CB -0.362 41.577 42.059 -0.200 0.000 0.904 84 L HN 0.182 nan 8.230 nan 0.000 0.435 85 H N -0.186 118.869 119.070 -0.026 0.000 2.319 85 H HA -0.173 4.386 4.556 0.004 0.000 0.299 85 H C 2.268 177.597 175.328 0.002 0.000 1.092 85 H CA 1.703 57.749 56.048 -0.004 0.000 1.302 85 H CB -0.006 29.755 29.762 -0.001 0.000 1.373 85 H HN 0.380 nan 8.280 nan 0.000 0.497 86 A N 1.135 124.035 122.820 0.133 0.000 1.908 86 A HA -0.160 4.163 4.320 0.004 0.000 0.218 86 A C 2.516 180.147 177.584 0.079 0.000 1.181 86 A CA 1.486 53.574 52.037 0.085 0.000 0.627 86 A CB -0.818 18.224 19.000 0.070 0.000 0.818 86 A HN 0.317 nan 8.150 nan 0.000 0.445 87 L N -0.874 120.403 121.223 0.090 0.000 2.131 87 L HA -0.154 4.188 4.340 0.004 0.000 0.210 87 L C 2.262 179.274 176.870 0.236 0.000 1.092 87 L CA 1.817 56.749 54.840 0.153 0.000 0.759 87 L CB -0.492 41.643 42.059 0.127 0.000 0.903 87 L HN 0.302 nan 8.230 nan 0.000 0.435 88 M N -0.468 119.210 119.600 0.130 0.000 2.106 88 M HA -0.160 4.323 4.480 0.004 0.000 0.259 88 M C 1.843 178.061 176.300 -0.136 0.000 1.068 88 M CA 2.170 57.485 55.300 0.025 0.000 1.100 88 M CB -1.820 30.596 32.600 -0.306 0.000 1.351 88 M HN 0.611 nan 8.290 nan 0.000 0.404 89 T N -4.079 110.405 114.554 -0.118 0.000 3.129 89 T HA 0.149 4.501 4.350 0.004 0.000 0.267 89 T C 0.353 175.029 174.700 -0.040 0.000 1.018 89 T CA -0.240 61.786 62.100 -0.124 0.000 0.903 89 T CB -0.463 68.355 68.868 -0.085 0.000 1.067 89 T HN 0.125 nan 8.240 nan 0.000 0.549 90 T N 2.664 117.253 114.554 0.058 0.000 3.162 90 T HA 0.395 4.747 4.350 0.004 0.000 0.316 90 T C 0.138 174.926 174.700 0.146 0.000 1.182 90 T CA -0.311 61.844 62.100 0.091 0.000 1.015 90 T CB 0.468 69.407 68.868 0.118 0.000 1.089 90 T HN 0.340 nan 8.240 nan 0.000 0.646 91 S N 3.642 119.345 115.700 0.004 0.000 2.510 91 S HA 0.131 4.603 4.470 0.004 0.000 0.279 91 S C 0.145 174.758 174.600 0.021 0.000 1.284 91 S CA -0.630 57.543 58.200 -0.045 0.000 1.059 91 S CB 0.261 63.361 63.200 -0.166 0.000 0.901 91 S HN 0.435 nan 8.310 nan 0.000 0.491 92 Q N 3.319 123.118 119.800 -0.002 0.000 2.243 92 Q HA 0.225 4.568 4.340 0.004 0.000 0.252 92 Q C 0.409 176.232 176.000 -0.295 0.000 0.909 92 Q CA -0.565 55.098 55.803 -0.233 0.000 0.922 92 Q CB 1.340 29.666 28.738 -0.687 0.000 1.215 92 Q HN 0.688 nan 8.270 nan 0.000 0.427 93 D N 1.756 122.074 120.400 -0.136 0.000 2.219 93 D HA -0.138 4.504 4.640 0.004 0.000 0.205 93 D C 1.633 177.951 176.300 0.031 0.000 0.970 93 D CA 0.867 54.846 54.000 -0.034 0.000 0.851 93 D CB 0.099 40.931 40.800 0.053 0.000 0.943 93 D HN 0.714 nan 8.370 nan 0.000 0.488 94 W N -1.245 120.150 121.300 0.158 0.000 2.699 94 W HA -0.001 4.661 4.660 0.004 0.000 0.249 94 W C 0.327 177.068 176.519 0.370 0.000 1.280 94 W CA -0.140 57.327 57.345 0.202 0.000 1.345 94 W CB -0.494 29.070 29.460 0.172 0.000 1.128 94 W HN -0.030 nan 8.180 nan 0.000 0.642 95 W N 2.956 124.072 121.300 -0.308 0.000 1.896 95 W HA 0.240 4.902 4.660 0.004 0.000 0.302 95 W C -2.934 173.526 176.519 -0.098 0.000 1.016 95 W CA -1.836 55.413 57.345 -0.160 0.000 1.200 95 W CB 0.558 29.933 29.460 -0.142 0.000 1.226 95 W HN -0.365 nan 8.180 nan 0.000 0.308 96 P HA 0.031 nan 4.420 nan 0.000 0.266 96 P C -0.044 177.193 177.300 -0.104 0.000 1.195 96 P CA 0.640 63.664 63.100 -0.126 0.000 0.768 96 P CB 0.815 32.449 31.700 -0.111 0.000 0.838 97 A N 3.285 125.905 122.820 -0.334 0.000 2.451 97 A HA 0.106 4.429 4.320 0.004 0.000 0.266 97 A C 0.098 177.475 177.584 -0.345 0.000 1.119 97 A CA -0.231 51.438 52.037 -0.613 0.000 0.786 97 A CB -0.519 17.762 19.000 -1.198 0.000 1.061 97 A HN 0.449 nan 8.150 nan 0.000 0.503 98 D N 1.982 122.231 120.400 -0.253 0.000 2.525 98 D HA 0.099 4.742 4.640 0.004 0.000 0.235 98 D C 0.481 176.546 176.300 -0.391 0.000 1.137 98 D CA 0.818 54.479 54.000 -0.565 0.000 0.868 98 D CB -0.242 40.470 40.800 -0.147 0.000 1.180 98 D HN 0.519 nan 8.370 nan 0.000 0.465 99 F N 0.321 119.946 119.950 -0.541 0.000 3.093 99 F HA -0.258 4.271 4.527 0.004 0.000 0.283 99 F C 1.655 177.334 175.800 -0.202 0.000 0.848 99 F CA 0.560 58.381 58.000 -0.299 0.000 1.059 99 F CB -2.049 36.862 39.000 -0.148 0.000 1.191 99 F HN 0.640 nan 8.300 nan 0.000 0.514 100 G N -0.717 107.976 108.800 -0.178 0.000 2.180 100 G HA2 -0.344 3.618 3.960 0.004 0.000 0.263 100 G HA3 -0.344 3.618 3.960 0.004 0.000 0.263 100 G C -0.049 174.796 174.900 -0.090 0.000 0.989 100 G CA 0.673 45.691 45.100 -0.136 0.000 0.692 100 G HN 0.949 nan 8.290 nan 0.000 0.526 101 H N -1.747 117.230 119.070 -0.155 0.000 2.877 101 H HA 0.406 4.964 4.556 0.004 0.000 0.347 101 H C -0.108 175.185 175.328 -0.057 0.000 1.042 101 H CA -0.903 55.102 56.048 -0.071 0.000 1.276 101 H CB 0.904 30.692 29.762 0.043 0.000 1.681 101 H HN 0.021 nan 8.280 nan 0.000 0.521 102 Y N 2.755 123.150 120.300 0.158 0.000 2.502 102 Y HA 0.076 4.628 4.550 0.004 0.000 0.295 102 Y C 2.179 178.155 175.900 0.126 0.000 1.193 102 Y CA 0.779 58.891 58.100 0.020 0.000 1.295 102 Y CB 0.124 38.437 38.460 -0.246 0.000 1.059 102 Y HN 0.806 nan 8.280 nan 0.000 0.514 103 G N 0.039 109.209 108.800 0.617 0.000 2.421 103 G HA2 -0.247 3.716 3.960 0.004 0.000 0.216 103 G HA3 -0.247 3.716 3.960 0.004 0.000 0.216 103 G C 2.070 177.082 174.900 0.186 0.000 1.171 103 G CA 0.908 46.254 45.100 0.410 0.000 0.775 103 G HN 0.498 nan 8.290 nan 0.000 0.543 104 G N 0.991 109.901 108.800 0.182 0.000 2.491 104 G HA2 -0.235 3.727 3.960 0.004 0.000 0.218 104 G HA3 -0.235 3.727 3.960 0.004 0.000 0.218 104 G C 1.774 176.792 174.900 0.197 0.000 1.180 104 G CA 1.203 46.427 45.100 0.207 0.000 0.774 104 G HN 0.436 nan 8.290 nan 0.000 0.562 105 L N -0.441 120.882 121.223 0.167 0.000 2.042 105 L HA 0.046 4.388 4.340 0.004 0.000 0.210 105 L C 2.489 179.387 176.870 0.046 0.000 1.076 105 L CA 1.678 56.560 54.840 0.070 0.000 0.749 105 L CB -0.612 41.438 42.059 -0.015 0.000 0.893 105 L HN 0.175 nan 8.230 nan 0.000 0.432 106 F N -0.640 119.396 119.950 0.143 0.000 2.325 106 F HA -0.039 4.490 4.527 0.004 0.000 0.299 106 F C 2.314 178.175 175.800 0.102 0.000 1.090 106 F CA 0.875 58.934 58.000 0.098 0.000 1.392 106 F CB -0.678 38.371 39.000 0.082 0.000 1.053 106 F HN 0.047 nan 8.300 nan 0.000 0.521 107 I N -0.433 120.280 120.570 0.238 0.000 2.252 107 I HA -0.264 3.908 4.170 0.004 0.000 0.245 107 I C 2.692 178.974 176.117 0.275 0.000 1.102 107 I CA 1.109 62.511 61.300 0.170 0.000 1.385 107 I CB -0.388 37.575 38.000 -0.061 0.000 1.064 107 I HN 0.016 nan 8.210 nan 0.000 0.414 108 R N 1.017 121.636 120.500 0.199 0.000 2.081 108 R HA -0.204 4.138 4.340 0.004 0.000 0.235 108 R C 2.407 178.742 176.300 0.058 0.000 1.131 108 R CA 1.519 57.692 56.100 0.121 0.000 0.960 108 R CB -0.212 30.101 30.300 0.021 0.000 0.856 108 R HN 0.300 nan 8.270 nan 0.000 0.436 109 M N 0.686 120.349 119.600 0.105 0.000 2.065 109 M HA -0.088 4.394 4.480 0.004 0.000 0.259 109 M C 0.943 177.341 176.300 0.162 0.000 1.069 109 M CA 1.705 57.074 55.300 0.114 0.000 1.110 109 M CB -0.251 32.471 32.600 0.203 0.000 1.328 109 M HN 0.227 nan 8.290 nan 0.000 0.405 113 S N 1.158 116.884 115.700 0.042 0.000 2.356 113 S HA -0.105 4.368 4.470 0.004 0.000 0.223 113 S C 2.191 176.732 174.600 -0.097 0.000 1.032 113 S CA 1.501 59.670 58.200 -0.052 0.000 1.005 113 S CB -0.134 63.038 63.200 -0.047 0.000 0.867 113 S HN 0.462 nan 8.310 nan 0.000 0.449 114 A N 0.338 123.086 122.820 -0.120 0.000 2.014 114 A HA 0.240 4.562 4.320 0.004 0.000 0.218 114 A C 2.188 179.710 177.584 -0.105 0.000 1.163 114 A CA 1.399 53.335 52.037 -0.168 0.000 0.652 114 A CB -1.205 17.627 19.000 -0.280 0.000 0.808 114 A HN 0.625 nan 8.150 nan 0.000 0.449 115 G N -0.512 108.217 108.800 -0.119 0.000 2.679 115 G HA2 -0.002 3.961 3.960 0.004 0.000 0.212 115 G HA3 -0.002 3.961 3.960 0.004 0.000 0.212 115 G C 1.377 176.110 174.900 -0.279 0.000 1.137 115 G CA 1.455 46.419 45.100 -0.226 0.000 0.787 115 G HN 0.635 nan 8.290 nan 0.000 0.534 116 T N -2.859 111.636 114.554 -0.098 0.000 3.113 116 T HA 0.072 4.424 4.350 0.004 0.000 0.256 116 T C 0.938 175.773 174.700 0.225 0.000 1.131 116 T CA -0.462 61.672 62.100 0.056 0.000 1.074 116 T CB -0.282 68.596 68.868 0.016 0.000 0.944 116 T HN 0.165 nan 8.240 nan 0.000 0.516 117 Y N 3.433 123.751 120.300 0.031 0.000 2.610 117 Y HA 0.348 4.899 4.550 0.003 0.000 0.332 117 Y C 0.046 175.981 175.900 0.059 0.000 1.201 117 Y CA -0.814 57.302 58.100 0.027 0.000 1.465 117 Y CB 0.323 38.760 38.460 -0.038 0.000 1.283 117 Y HN 0.064 nan 8.280 nan 0.000 0.563 118 R N 3.379 123.564 120.500 -0.525 0.000 2.437 118 R HA 0.233 4.575 4.340 0.004 0.000 0.310 118 R C 0.891 176.684 176.300 -0.844 0.000 0.955 118 R CA -0.397 55.413 56.100 -0.484 0.000 0.851 118 R CB 1.423 31.587 30.300 -0.227 0.000 1.161 118 R HN 0.727 nan 8.270 nan 0.000 0.446 119 T N 1.174 115.393 114.554 -0.559 0.000 2.915 119 T HA -0.094 4.258 4.350 0.004 0.000 0.269 119 T C 1.779 176.348 174.700 -0.218 0.000 1.071 119 T CA 1.726 63.612 62.100 -0.355 0.000 1.132 119 T CB -0.011 68.819 68.868 -0.064 0.000 0.878 119 T HN 0.655 nan 8.240 nan 0.000 0.479 120 A N 2.003 124.709 122.820 -0.191 0.000 1.865 120 A HA -0.133 4.189 4.320 0.004 0.000 0.217 120 A C 1.947 179.442 177.584 -0.149 0.000 1.191 120 A CA 2.315 54.269 52.037 -0.138 0.000 0.623 120 A CB -0.488 18.440 19.000 -0.119 0.000 0.826 120 A HN 0.761 nan 8.150 nan 0.000 0.444 121 D N -4.304 115.985 120.400 -0.184 0.000 2.474 121 D HA 0.305 4.947 4.640 0.004 0.000 0.213 121 D C 1.131 177.327 176.300 -0.173 0.000 1.120 121 D CA 1.014 54.915 54.000 -0.164 0.000 0.836 121 D CB -0.432 40.275 40.800 -0.155 0.000 1.019 121 D HN 0.939 nan 8.370 nan 0.000 0.507 122 G N 0.779 109.427 108.800 -0.252 0.000 2.184 122 G HA2 -0.346 3.617 3.960 0.004 0.000 0.264 122 G HA3 -0.346 3.617 3.960 0.004 0.000 0.264 122 G C 0.396 175.230 174.900 -0.110 0.000 0.975 122 G CA 0.198 45.184 45.100 -0.190 0.000 0.642 122 G HN 0.451 nan 8.290 nan 0.000 0.536 123 R N 0.337 120.734 120.500 -0.172 0.000 2.637 123 R HA 0.505 4.847 4.340 0.004 0.000 0.269 123 R C 1.301 177.572 176.300 -0.048 0.000 1.089 123 R CA 0.561 56.589 56.100 -0.120 0.000 1.177 123 R CB 0.233 30.407 30.300 -0.211 0.000 1.091 123 R HN 1.434 nan 8.270 nan 0.000 0.540 124 G N -0.379 108.449 108.800 0.047 0.000 2.752 124 G HA2 0.098 4.060 3.960 0.004 0.000 0.234 124 G HA3 0.098 4.060 3.960 0.004 0.000 0.234 124 G C 0.166 175.186 174.900 0.200 0.000 1.367 124 G CA -0.312 44.914 45.100 0.210 0.000 0.879 124 G HN 1.164 nan 8.290 nan 0.000 0.563 125 G N -2.864 106.031 108.800 0.157 0.000 2.631 125 G HA2 0.437 4.399 3.960 0.004 0.000 0.504 125 G HA3 0.437 4.399 3.960 0.004 0.000 0.504 125 G C 0.940 175.801 174.900 -0.065 0.000 1.306 125 G CA 1.184 46.304 45.100 0.033 0.000 0.897 125 G HN 2.468 nan 8.290 nan 0.000 0.520 126 A N -0.547 122.181 122.820 -0.153 0.000 2.178 126 A HA 0.501 4.823 4.320 0.004 0.000 0.211 126 A C 2.574 180.059 177.584 -0.165 0.000 1.157 126 A CA 1.807 53.743 52.037 -0.168 0.000 0.780 126 A CB -0.476 18.386 19.000 -0.231 0.000 0.828 126 A HN 2.302 nan 8.150 nan 0.000 0.476 127 G N -0.264 108.435 108.800 -0.167 0.000 2.559 127 G HA2 -0.082 3.880 3.960 0.004 0.000 0.216 127 G HA3 -0.082 3.880 3.960 0.004 0.000 0.216 127 G C 1.000 175.814 174.900 -0.143 0.000 1.126 127 G CA 0.906 45.902 45.100 -0.174 0.000 0.778 127 G HN 0.647 nan 8.290 nan 0.000 0.543 128 E N -0.992 119.138 120.200 -0.117 0.000 2.630 128 E HA 0.297 4.649 4.350 0.004 0.000 0.218 128 E C 1.338 177.874 176.600 -0.107 0.000 0.977 128 E CA 0.033 56.363 56.400 -0.117 0.000 1.038 128 E CB 0.700 30.340 29.700 -0.100 0.000 1.051 128 E HN 0.240 nan 8.360 nan 0.000 0.487 129 G N 2.296 111.029 108.800 -0.112 0.000 2.283 129 G HA2 -0.334 3.629 3.960 0.004 0.000 0.280 129 G HA3 -0.334 3.629 3.960 0.004 0.000 0.280 129 G C 0.892 175.688 174.900 -0.174 0.000 1.029 129 G CA 0.309 45.328 45.100 -0.135 0.000 0.840 129 G HN 0.204 nan 8.290 nan 0.000 0.505 130 Q N -0.821 118.929 119.800 -0.083 0.000 2.488 130 Q HA -0.016 4.327 4.340 0.004 0.000 0.211 130 Q C 2.334 178.248 176.000 -0.143 0.000 0.967 130 Q CA 1.184 56.991 55.803 0.007 0.000 0.926 130 Q CB 0.037 28.813 28.738 0.064 0.000 0.992 130 Q HN 0.903 nan 8.270 nan 0.000 0.506 131 Q N 1.155 120.817 119.800 -0.229 0.000 2.291 131 Q HA -0.149 4.193 4.340 0.004 0.000 0.206 131 Q C 1.691 177.486 176.000 -0.341 0.000 0.976 131 Q CA 0.899 56.540 55.803 -0.270 0.000 0.875 131 Q CB 0.149 28.763 28.738 -0.207 0.000 0.927 131 Q HN 0.341 nan 8.270 nan 0.000 0.450 132 R N -1.265 118.923 120.500 -0.519 0.000 2.310 132 R HA 0.108 4.451 4.340 0.004 0.000 0.202 132 R C -0.324 175.558 176.300 -0.695 0.000 0.933 132 R CA -0.051 55.621 56.100 -0.713 0.000 1.054 132 R CB 0.161 29.825 30.300 -1.060 0.000 0.985 132 R HN 0.014 nan 8.270 nan 0.000 0.489 133 F N 0.628 120.449 119.950 -0.215 0.000 2.575 133 F HA 0.598 5.127 4.527 0.004 0.000 0.330 133 F C 0.513 176.226 175.800 -0.145 0.000 1.056 133 F CA -1.607 56.301 58.000 -0.153 0.000 0.964 133 F CB 1.247 40.184 39.000 -0.105 0.000 1.258 133 F HN -0.081 nan 8.300 nan 0.000 0.484 134 A N 1.911 124.808 122.820 0.129 0.000 2.462 134 A HA 0.313 4.636 4.320 0.004 0.000 0.243 134 A C -1.787 175.837 177.584 0.067 0.000 1.076 134 A CA -0.973 51.096 52.037 0.054 0.000 0.773 134 A CB -0.212 18.829 19.000 0.068 0.000 1.010 134 A HN 0.560 nan 8.150 nan 0.000 0.493 135 P HA 0.039 nan 4.420 nan 0.000 0.239 135 P C 1.228 178.380 177.300 -0.247 0.000 1.188 135 P CA 0.431 63.557 63.100 0.044 0.000 0.794 135 P CB 0.109 31.977 31.700 0.281 0.000 0.937 136 L N 1.012 121.903 121.223 -0.553 0.000 2.131 136 L HA -0.172 4.170 4.340 0.004 0.000 0.210 136 L C 2.197 178.811 176.870 -0.428 0.000 1.092 136 L CA 1.786 56.084 54.840 -0.903 0.000 0.759 136 L CB -1.213 40.352 42.059 -0.823 0.000 0.903 136 L HN 0.135 nan 8.230 nan 0.000 0.435 137 N N -1.325 117.227 118.700 -0.247 0.000 2.520 137 N HA -0.140 4.603 4.740 0.004 0.000 0.185 137 N C 1.137 176.627 175.510 -0.033 0.000 1.068 137 N CA 1.151 54.114 53.050 -0.145 0.000 0.911 137 N CB -0.263 38.116 38.487 -0.179 0.000 0.961 137 N HN 0.097 nan 8.380 nan 0.000 0.446 138 S N -1.738 113.927 115.700 -0.059 0.000 2.701 138 S HA 0.169 4.642 4.470 0.004 0.000 0.242 138 S C -0.676 173.917 174.600 -0.012 0.000 1.025 138 S CA -0.796 57.357 58.200 -0.079 0.000 1.016 138 S CB 0.084 63.152 63.200 -0.220 0.000 0.977 138 S HN 0.234 nan 8.310 nan 0.000 0.546 139 W N 3.335 124.490 121.300 -0.241 0.000 2.223 139 W HA 0.236 4.898 4.660 0.003 0.000 0.334 139 W C -2.015 174.377 176.519 -0.213 0.000 1.334 139 W CA -2.008 55.080 57.345 -0.428 0.000 1.246 139 W CB -0.301 28.995 29.460 -0.273 0.000 1.184 139 W HN 0.108 nan 8.180 nan 0.000 0.563 140 P HA -0.229 nan 4.420 nan 0.000 0.217 140 P C 1.262 178.505 177.300 -0.094 0.000 1.148 140 P CA 1.834 64.886 63.100 -0.080 0.000 0.828 140 P CB 0.327 31.963 31.700 -0.108 0.000 0.783 141 D N -1.598 118.804 120.400 0.004 0.000 2.310 141 D HA -0.074 4.568 4.640 0.004 0.000 0.212 141 D C 0.914 177.320 176.300 0.176 0.000 0.965 141 D CA 0.762 54.815 54.000 0.089 0.000 0.879 141 D CB -0.550 40.293 40.800 0.072 0.000 0.921 141 D HN 0.019 nan 8.370 nan 0.000 0.510 142 N N 0.085 118.843 118.700 0.097 0.000 2.276 142 N HA 0.163 4.905 4.740 0.004 0.000 0.212 142 N C -0.374 174.903 175.510 -0.389 0.000 1.127 142 N CA -0.068 52.998 53.050 0.027 0.000 0.834 142 N CB 0.324 38.875 38.487 0.106 0.000 1.014 142 N HN 0.011 nan 8.380 nan 0.000 0.491 143 A N 1.108 123.419 122.820 -0.848 0.000 2.566 143 A HA 0.050 4.372 4.320 0.004 0.000 0.245 143 A C 0.932 177.968 177.584 -0.913 0.000 1.056 143 A CA 0.093 51.068 52.037 -1.770 0.000 0.757 143 A CB -0.104 18.039 19.000 -1.428 0.000 0.979 143 A HN 0.465 nan 8.150 nan 0.000 0.508 144 N N 0.216 118.430 118.700 -0.809 0.000 2.900 144 N HA -0.191 4.551 4.740 0.004 0.000 0.240 144 N C 0.729 176.033 175.510 -0.344 0.000 0.953 144 N CA 1.514 54.284 53.050 -0.466 0.000 0.950 144 N CB -1.304 36.879 38.487 -0.508 0.000 1.102 144 N HN 0.689 nan 8.380 nan 0.000 0.593 145 L N 1.145 122.229 121.223 -0.233 0.000 2.376 145 L HA -0.121 4.222 4.340 0.004 0.000 0.219 145 L C 2.152 178.978 176.870 -0.075 0.000 1.133 145 L CA 1.392 56.156 54.840 -0.127 0.000 0.816 145 L CB -0.359 41.643 42.059 -0.094 0.000 0.933 145 L HN 0.242 nan 8.230 nan 0.000 0.449 146 D N 0.229 120.612 120.400 -0.027 0.000 2.149 146 D HA -0.226 4.416 4.640 0.004 0.000 0.198 146 D C 1.657 177.916 176.300 -0.069 0.000 0.990 146 D CA 1.134 55.111 54.000 -0.039 0.000 0.839 146 D CB -0.193 40.619 40.800 0.020 0.000 0.948 146 D HN 0.211 nan 8.370 nan 0.000 0.460 147 K N 1.259 121.561 120.400 -0.164 0.000 2.057 147 K HA 0.061 4.383 4.320 0.004 0.000 0.206 147 K C 2.423 179.020 176.600 -0.004 0.000 1.050 147 K CA 1.202 57.415 56.287 -0.123 0.000 0.935 147 K CB -0.888 31.184 32.500 -0.713 0.000 0.715 147 K HN 0.273 nan 8.250 nan 0.000 0.439 148 A N 2.197 124.971 122.820 -0.078 0.000 1.883 148 A HA -0.200 4.122 4.320 0.004 0.000 0.217 148 A C 2.302 180.062 177.584 0.293 0.000 1.186 148 A CA 1.620 53.692 52.037 0.059 0.000 0.624 148 A CB -0.470 18.564 19.000 0.057 0.000 0.822 148 A HN 0.277 nan 8.150 nan 0.000 0.444 149 R N -1.358 119.245 120.500 0.172 0.000 2.081 149 R HA -0.129 4.213 4.340 0.004 0.000 0.235 149 R C 2.427 178.913 176.300 0.310 0.000 1.131 149 R CA 1.533 57.746 56.100 0.190 0.000 0.960 149 R CB -0.283 29.955 30.300 -0.103 0.000 0.856 149 R HN 0.429 nan 8.270 nan 0.000 0.436 150 R N 1.425 122.065 120.500 0.233 0.000 2.115 150 R HA -0.028 4.314 4.340 0.004 0.000 0.230 150 R C 1.990 178.573 176.300 0.472 0.000 1.111 150 R CA 1.175 57.453 56.100 0.296 0.000 0.976 150 R CB -0.600 29.770 30.300 0.118 0.000 0.870 150 R HN 0.192 nan 8.270 nan 0.000 0.445 151 L N -0.075 121.430 121.223 0.471 0.000 2.191 151 L HA -0.126 4.217 4.340 0.004 0.000 0.212 151 L C 1.717 178.792 176.870 0.341 0.000 1.103 151 L CA 0.960 56.036 54.840 0.394 0.000 0.769 151 L CB -0.226 41.933 42.059 0.167 0.000 0.908 151 L HN 0.203 nan 8.230 nan 0.000 0.438 152 L N -1.899 119.545 121.223 0.368 0.000 2.558 152 L HA -0.100 4.242 4.340 0.004 0.000 0.225 152 L C 2.140 179.157 176.870 0.245 0.000 1.128 152 L CA 0.119 55.105 54.840 0.242 0.000 0.868 152 L CB -0.377 41.816 42.059 0.223 0.000 1.006 152 L HN 0.458 nan 8.230 nan 0.000 0.454 153 W N 3.073 124.509 121.300 0.227 0.000 2.335 153 W HA -0.167 4.495 4.660 0.004 0.000 0.311 153 W C -0.919 175.629 176.519 0.049 0.000 1.213 153 W CA 1.188 58.635 57.345 0.170 0.000 1.274 153 W CB -1.051 28.552 29.460 0.238 0.000 1.148 153 W HN 0.105 nan 8.180 nan 0.000 0.498 154 P HA -0.213 nan 4.420 nan 0.000 0.216 154 P C 1.671 178.762 177.300 -0.349 0.000 1.150 154 P CA 2.107 64.960 63.100 -0.412 0.000 0.837 154 P CB -0.334 31.281 31.700 -0.140 0.000 0.786 155 I N -0.784 119.680 120.570 -0.177 0.000 2.202 155 I HA -0.250 3.922 4.170 0.004 0.000 0.242 155 I C 2.439 178.487 176.117 -0.115 0.000 1.091 155 I CA 1.414 62.668 61.300 -0.076 0.000 1.368 155 I CB -0.366 37.631 38.000 -0.004 0.000 1.058 155 I HN -0.134 nan 8.210 nan 0.000 0.410 156 K N 1.057 121.293 120.400 -0.272 0.000 2.032 156 K HA -0.280 4.043 4.320 0.004 0.000 0.209 156 K C 2.151 178.555 176.600 -0.328 0.000 1.048 156 K CA 1.737 57.814 56.287 -0.350 0.000 0.927 156 K CB -0.310 31.777 32.500 -0.688 0.000 0.712 156 K HN 0.258 nan 8.250 nan 0.000 0.441 157 Q N 0.443 119.813 119.800 -0.716 0.000 2.077 157 Q HA -0.259 4.083 4.340 0.004 0.000 0.206 157 Q C 2.053 177.803 176.000 -0.416 0.000 0.989 157 Q CA 2.180 57.510 55.803 -0.789 0.000 0.853 157 Q CB -0.166 27.781 28.738 -1.317 0.000 0.907 157 Q HN 0.341 nan 8.270 nan 0.000 0.418 158 K N -0.847 119.305 120.400 -0.414 0.000 2.057 158 K HA -0.192 4.130 4.320 0.004 0.000 0.207 158 K C 1.434 177.731 176.600 -0.505 0.000 1.049 158 K CA 1.678 57.686 56.287 -0.465 0.000 0.931 158 K CB -0.096 32.047 32.500 -0.594 0.000 0.714 158 K HN 0.323 nan 8.250 nan 0.000 0.440 159 Y N -0.181 120.040 120.300 -0.131 0.000 2.478 159 Y HA 0.171 4.723 4.550 0.004 0.000 0.261 159 Y C 1.474 177.359 175.900 -0.025 0.000 1.127 159 Y CA 0.246 58.304 58.100 -0.070 0.000 1.288 159 Y CB 0.462 38.885 38.460 -0.062 0.000 1.084 159 Y HN 0.375 nan 8.280 nan 0.000 0.530 160 G N 1.720 110.553 108.800 0.056 0.000 2.574 160 G HA2 -0.424 3.538 3.960 0.004 0.000 0.286 160 G HA3 -0.424 3.538 3.960 0.004 0.000 0.286 160 G C 1.245 176.240 174.900 0.158 0.000 1.212 160 G CA 0.663 45.810 45.100 0.079 0.000 0.979 160 G HN 0.458 nan 8.290 nan 0.000 0.557 161 R N 0.811 121.421 120.500 0.183 0.000 2.237 161 R HA 0.327 4.669 4.340 0.004 0.000 0.219 161 R C 2.600 179.188 176.300 0.480 0.000 1.080 161 R CA 1.969 58.239 56.100 0.284 0.000 0.995 161 R CB -0.476 29.927 30.300 0.170 0.000 0.875 161 R HN 1.129 nan 8.270 nan 0.000 0.462 162 A N 1.508 124.543 122.820 0.358 0.000 2.067 162 A HA 0.061 4.383 4.320 0.004 0.000 0.219 162 A C 1.226 179.061 177.584 0.417 0.000 1.158 162 A CA 0.660 52.891 52.037 0.323 0.000 0.661 162 A CB -0.064 19.043 19.000 0.179 0.000 0.801 162 A HN 0.439 nan 8.150 nan 0.000 0.452 163 I N 0.744 121.561 120.570 0.412 0.000 2.468 163 I HA 0.260 4.432 4.170 0.004 0.000 0.285 163 I C 0.104 176.395 176.117 0.290 0.000 1.039 163 I CA -0.651 60.910 61.300 0.436 0.000 1.074 163 I CB 1.823 39.949 38.000 0.211 0.000 1.228 163 I HN 0.202 nan 8.210 nan 0.000 0.436 164 S N 4.566 120.424 115.700 0.263 0.000 2.579 164 S HA 0.097 4.569 4.470 0.004 0.000 0.275 164 S C 0.798 175.418 174.600 0.033 0.000 1.345 164 S CA -0.260 57.919 58.200 -0.036 0.000 1.031 164 S CB 0.658 63.620 63.200 -0.397 0.000 0.892 164 S HN 0.812 nan 8.310 nan 0.000 0.529 165 W N 1.671 122.945 121.300 -0.043 0.000 2.321 165 W HA -0.177 4.485 4.660 0.003 0.000 0.306 165 W C 2.770 179.237 176.519 -0.087 0.000 1.217 165 W CA 1.461 58.772 57.345 -0.056 0.000 1.257 165 W CB -0.638 28.750 29.460 -0.121 0.000 1.145 165 W HN 0.948 nan 8.180 nan 0.000 0.509 166 A N 0.117 123.001 122.820 0.108 0.000 1.892 166 A HA -0.271 4.051 4.320 0.004 0.000 0.218 166 A C 1.675 179.267 177.584 0.013 0.000 1.188 166 A CA 2.347 54.381 52.037 -0.006 0.000 0.631 166 A CB -0.941 17.994 19.000 -0.107 0.000 0.822 166 A HN 0.201 nan 8.150 nan 0.000 0.447 167 D N -0.833 119.592 120.400 0.042 0.000 2.149 167 D HA -0.070 4.572 4.640 0.004 0.000 0.201 167 D C 1.844 178.262 176.300 0.197 0.000 0.972 167 D CA 1.017 55.105 54.000 0.147 0.000 0.835 167 D CB -0.313 40.620 40.800 0.221 0.000 0.966 167 D HN 0.331 nan 8.370 nan 0.000 0.476 168 L N 0.707 122.004 121.223 0.123 0.000 2.093 168 L HA -0.077 4.265 4.340 0.004 0.000 0.208 168 L C 2.111 179.008 176.870 0.046 0.000 1.085 168 L CA 1.284 56.150 54.840 0.045 0.000 0.755 168 L CB -0.457 41.581 42.059 -0.035 0.000 0.904 168 L HN -0.001 nan 8.230 nan 0.000 0.435 169 L N -1.117 120.175 121.223 0.114 0.000 2.046 169 L HA -0.227 4.115 4.340 0.004 0.000 0.208 169 L C 2.445 179.360 176.870 0.074 0.000 1.077 169 L CA 0.839 55.739 54.840 0.099 0.000 0.747 169 L CB -0.668 41.451 42.059 0.100 0.000 0.896 169 L HN 0.269 nan 8.230 nan 0.000 0.432 170 I N -0.419 120.201 120.570 0.084 0.000 2.286 170 I HA -0.231 3.941 4.170 0.004 0.000 0.245 170 I C 2.490 178.691 176.117 0.139 0.000 1.104 170 I CA 1.221 62.598 61.300 0.127 0.000 1.397 170 I CB -0.951 37.113 38.000 0.107 0.000 1.072 170 I HN 0.237 nan 8.210 nan 0.000 0.417 171 L N 0.878 122.090 121.223 -0.017 0.000 2.083 171 L HA -0.181 4.162 4.340 0.004 0.000 0.209 171 L C 2.453 179.187 176.870 -0.227 0.000 1.083 171 L CA 1.978 56.574 54.840 -0.408 0.000 0.752 171 L CB -0.924 40.775 42.059 -0.601 0.000 0.899 171 L HN 0.168 nan 8.230 nan 0.000 0.433 172 T N -0.576 113.878 114.554 -0.168 0.000 2.684 172 T HA -0.135 4.217 4.350 0.004 0.000 0.267 172 T C 1.745 176.385 174.700 -0.100 0.000 1.036 172 T CA 1.277 63.237 62.100 -0.233 0.000 1.148 172 T CB -1.017 67.618 68.868 -0.389 0.000 0.863 172 T HN 0.597 nan 8.240 nan 0.000 0.436 173 G N 1.855 110.701 108.800 0.077 0.000 2.476 173 G HA2 -0.323 3.640 3.960 0.004 0.000 0.218 173 G HA3 -0.323 3.640 3.960 0.004 0.000 0.218 173 G C 1.633 176.591 174.900 0.096 0.000 1.164 173 G CA 1.209 46.444 45.100 0.225 0.000 0.768 173 G HN 0.414 nan 8.290 nan 0.000 0.560 174 N N 0.065 118.859 118.700 0.156 0.000 2.069 174 N HA -0.098 4.644 4.740 0.004 0.000 0.191 174 N C 2.256 177.718 175.510 -0.080 0.000 1.031 174 N CA 1.197 54.292 53.050 0.075 0.000 0.852 174 N CB -0.493 38.056 38.487 0.104 0.000 1.018 174 N HN 0.195 nan 8.380 nan 0.000 0.423 175 V N 0.830 120.651 119.914 -0.154 0.000 2.427 175 V HA -0.169 3.954 4.120 0.004 0.000 0.248 175 V C 2.232 178.179 176.094 -0.245 0.000 1.051 175 V CA 1.669 63.805 62.300 -0.274 0.000 1.048 175 V CB -0.991 30.607 31.823 -0.374 0.000 0.666 175 V HN 0.337 nan 8.190 nan 0.000 0.456 176 A N -0.054 122.687 122.820 -0.132 0.000 1.883 176 A HA -0.198 4.125 4.320 0.004 0.000 0.217 176 A C 2.228 179.714 177.584 -0.163 0.000 1.186 176 A CA 1.973 53.987 52.037 -0.039 0.000 0.624 176 A CB -0.585 18.437 19.000 0.036 0.000 0.822 176 A HN 0.481 nan 8.150 nan 0.000 0.444 177 L N -0.741 120.314 121.223 -0.281 0.000 1.989 177 L HA -0.257 4.085 4.340 0.004 0.000 0.211 177 L C 2.708 179.529 176.870 -0.081 0.000 1.071 177 L CA 2.054 56.695 54.840 -0.332 0.000 0.749 177 L CB -0.619 41.212 42.059 -0.380 0.000 0.890 177 L HN 0.486 nan 8.230 nan 0.000 0.431 178 E N -0.861 119.318 120.200 -0.035 0.000 2.077 178 E HA -0.229 4.123 4.350 0.004 0.000 0.193 178 E C 2.301 178.987 176.600 0.143 0.000 0.989 178 E CA 1.362 57.793 56.400 0.050 0.000 0.800 178 E CB -0.175 29.564 29.700 0.064 0.000 0.746 178 E HN 0.310 nan 8.360 nan 0.000 0.452 179 S N 0.418 116.200 115.700 0.136 0.000 2.387 179 S HA -0.162 4.310 4.470 0.004 0.000 0.230 179 S C 1.758 176.492 174.600 0.224 0.000 1.035 179 S CA 1.202 59.561 58.200 0.266 0.000 1.014 179 S CB -0.069 63.275 63.200 0.239 0.000 0.836 179 S HN 0.190 nan 8.310 nan 0.000 0.466 180 M N 0.059 119.732 119.600 0.120 0.000 2.494 180 M HA 0.252 4.734 4.480 0.004 0.000 0.232 180 M C 1.246 177.705 176.300 0.264 0.000 1.137 180 M CA 0.573 55.948 55.300 0.125 0.000 1.012 180 M CB 0.568 33.181 32.600 0.022 0.000 1.567 180 M HN 0.540 nan 8.290 nan 0.000 0.486 181 G N 1.254 110.186 108.800 0.220 0.000 2.148 181 G HA2 -0.250 3.713 3.960 0.004 0.000 0.203 181 G HA3 -0.250 3.713 3.960 0.004 0.000 0.203 181 G C -0.418 174.591 174.900 0.182 0.000 0.993 181 G CA -0.657 44.578 45.100 0.224 0.000 0.661 181 G HN 0.436 nan 8.290 nan 0.000 0.518 182 F N 1.528 121.432 119.950 -0.077 0.000 2.426 182 F HA 0.734 5.263 4.527 0.003 0.000 0.348 182 F C 0.272 175.907 175.800 -0.275 0.000 1.124 182 F CA -1.685 56.102 58.000 -0.356 0.000 1.008 182 F CB 1.456 40.180 39.000 -0.460 0.000 1.139 182 F HN -0.012 nan 8.300 nan 0.000 0.452 183 K N 4.685 124.582 120.400 -0.837 0.000 2.316 183 K HA 0.254 4.576 4.320 0.004 0.000 0.289 183 K C -0.170 176.036 176.600 -0.656 0.000 1.070 183 K CA -0.193 55.755 56.287 -0.564 0.000 0.928 183 K CB 0.328 32.567 32.500 -0.435 0.000 1.039 183 K HN 0.708 nan 8.250 nan 0.000 0.480 184 T N 1.356 115.758 114.554 -0.253 0.000 2.882 184 T HA 0.184 4.536 4.350 0.004 0.000 0.287 184 T C 0.840 175.539 174.700 -0.002 0.000 1.014 184 T CA -0.611 61.466 62.100 -0.038 0.000 1.049 184 T CB 0.580 69.524 68.868 0.126 0.000 1.001 184 T HN 0.510 nan 8.240 nan 0.000 0.525 185 F N 1.156 121.068 119.950 -0.062 0.000 2.456 185 F HA 0.387 4.916 4.527 0.004 0.000 0.298 185 F C 1.243 176.885 175.800 -0.263 0.000 1.104 185 F CA 1.153 59.057 58.000 -0.161 0.000 1.435 185 F CB -0.348 38.573 39.000 -0.132 0.000 1.078 185 F HN 1.191 nan 8.300 nan 0.000 0.546 186 G N -0.822 107.957 108.800 -0.034 0.000 2.356 186 G HA2 0.300 4.262 3.960 0.004 0.000 0.288 186 G HA3 0.300 4.262 3.960 0.004 0.000 0.288 186 G C -2.119 172.973 174.900 0.320 0.000 1.302 186 G CA -0.509 44.548 45.100 -0.071 0.000 0.887 186 G HN 0.192 nan 8.290 nan 0.000 0.521 187 F N 0.240 120.287 119.950 0.163 0.000 2.639 187 F HA 0.725 5.254 4.527 0.004 0.000 0.326 187 F C -0.492 175.476 175.800 0.281 0.000 1.150 187 F CA 0.003 58.205 58.000 0.336 0.000 1.057 187 F CB 1.358 40.507 39.000 0.249 0.000 1.300 187 F HN 1.341 nan 8.300 nan 0.000 0.486 188 A N 3.741 126.345 122.820 -0.361 0.000 2.317 188 A HA 0.823 5.146 4.320 0.004 0.000 0.327 188 A C 0.011 176.915 177.584 -1.134 0.000 1.178 188 A CA -0.072 51.644 52.037 -0.536 0.000 0.817 188 A CB 0.825 19.497 19.000 -0.547 0.000 1.189 188 A HN 1.245 nan 8.150 nan 0.000 0.489 189 G N -0.453 107.859 108.800 -0.813 0.000 2.537 189 G HA2 0.563 4.525 3.960 0.004 0.000 0.297 189 G HA3 0.563 4.525 3.960 0.004 0.000 0.297 189 G C 0.824 175.254 174.900 -0.783 0.000 1.310 189 G CA -0.187 44.285 45.100 -1.046 0.000 1.027 189 G HN 2.142 nan 8.290 nan 0.000 0.505 190 G N -1.606 106.823 108.800 -0.619 0.000 2.205 190 G HA2 -0.190 3.772 3.960 0.004 0.000 0.180 190 G HA3 -0.190 3.772 3.960 0.004 0.000 0.180 190 G C 0.430 175.326 174.900 -0.007 0.000 1.004 190 G CA -0.264 44.716 45.100 -0.201 0.000 0.670 190 G HN 0.705 nan 8.290 nan 0.000 0.496 191 R N 1.284 121.731 120.500 -0.089 0.000 2.309 191 R HA 0.571 4.913 4.340 0.004 0.000 0.331 191 R C 0.885 177.062 176.300 -0.204 0.000 1.116 191 R CA 0.490 56.505 56.100 -0.142 0.000 0.970 191 R CB 0.778 30.963 30.300 -0.192 0.000 1.024 191 R HN 0.477 nan 8.270 nan 0.000 0.472 192 A N 3.194 125.919 122.820 -0.160 0.000 2.462 192 A HA 0.048 4.370 4.320 0.004 0.000 0.243 192 A C -0.063 177.351 177.584 -0.282 0.000 1.076 192 A CA -0.433 51.422 52.037 -0.304 0.000 0.773 192 A CB 0.289 19.285 19.000 -0.006 0.000 1.010 192 A HN 0.552 nan 8.150 nan 0.000 0.493 193 D N 0.940 121.136 120.400 -0.340 0.000 2.382 193 D HA 0.377 5.019 4.640 0.004 0.000 0.240 193 D C 0.857 176.831 176.300 -0.543 0.000 1.146 193 D CA 0.918 54.667 54.000 -0.418 0.000 0.897 193 D CB 0.976 41.461 40.800 -0.525 0.000 1.197 193 D HN 0.694 nan 8.370 nan 0.000 0.432 194 T N -1.918 112.273 114.554 -0.605 0.000 2.938 194 T HA 0.533 4.886 4.350 0.004 0.000 0.285 194 T C 0.192 174.449 174.700 -0.738 0.000 1.028 194 T CA -0.793 60.997 62.100 -0.518 0.000 1.005 194 T CB 1.228 69.965 68.868 -0.219 0.000 1.157 194 T HN 0.548 nan 8.240 nan 0.000 0.550 195 W N -0.004 121.367 121.300 0.118 0.000 2.324 195 W HA 0.313 4.975 4.660 0.004 0.000 0.316 195 W C 0.527 176.828 176.519 -0.364 0.000 0.927 195 W CA -0.669 56.691 57.345 0.024 0.000 1.438 195 W CB 0.712 30.221 29.460 0.082 0.000 1.085 195 W HN 0.926 nan 8.180 nan 0.000 0.532 196 E N -0.410 119.549 120.200 -0.401 0.000 2.449 196 E HA 0.434 4.786 4.350 0.004 0.000 0.278 196 E C -2.903 173.348 176.600 -0.581 0.000 0.992 196 E CA -2.656 53.373 56.400 -0.619 0.000 0.807 196 E CB 1.738 31.250 29.700 -0.314 0.000 1.350 196 E HN -0.384 nan 8.360 nan 0.000 0.462 197 P HA 0.006 nan 4.420 nan 0.000 0.268 197 P C -0.718 176.592 177.300 0.017 0.000 1.204 197 P CA 0.132 63.152 63.100 -0.133 0.000 0.768 197 P CB 0.502 32.176 31.700 -0.042 0.000 0.842 198 E N 2.571 122.847 120.200 0.126 0.000 2.373 198 E HA 0.009 4.361 4.350 0.004 0.000 0.267 198 E C -0.491 176.175 176.600 0.110 0.000 1.032 198 E CA -0.338 56.165 56.400 0.172 0.000 0.889 198 E CB 0.345 30.122 29.700 0.128 0.000 0.984 198 E HN 0.376 nan 8.360 nan 0.000 0.425 199 D N 4.132 124.575 120.400 0.071 0.000 2.374 199 D HA 0.153 4.795 4.640 0.004 0.000 0.240 199 D C -0.847 175.411 176.300 -0.070 0.000 1.229 199 D CA 0.051 54.059 54.000 0.013 0.000 0.895 199 D CB 0.952 41.755 40.800 0.005 0.000 1.046 199 D HN 0.056 nan 8.370 nan 0.000 0.498 200 V N 3.070 122.888 119.914 -0.161 0.000 2.638 200 V HA 0.111 4.233 4.120 0.004 0.000 0.306 200 V C -0.496 175.292 176.094 -0.510 0.000 1.052 200 V CA -1.152 60.851 62.300 -0.495 0.000 0.885 200 V CB 1.856 33.038 31.823 -1.070 0.000 0.999 200 V HN 0.354 nan 8.190 nan 0.000 0.424 201 Y N 3.153 123.170 120.300 -0.472 0.000 2.531 201 Y HA 0.246 4.798 4.550 0.004 0.000 0.347 201 Y C 0.225 175.927 175.900 -0.331 0.000 1.024 201 Y CA -0.579 57.345 58.100 -0.293 0.000 1.306 201 Y CB 0.614 38.963 38.460 -0.185 0.000 1.149 201 Y HN 0.777 nan 8.280 nan 0.000 0.527 202 W N 4.399 125.491 121.300 -0.347 0.000 3.220 202 W HA 0.483 5.145 4.660 0.004 0.000 0.328 202 W C 0.775 176.964 176.519 -0.549 0.000 1.205 202 W CA 0.450 57.629 57.345 -0.276 0.000 1.773 202 W CB 0.393 29.899 29.460 0.077 0.000 1.086 202 W HN 0.983 nan 8.180 nan 0.000 0.622 203 G N -0.508 107.696 108.800 -0.993 0.000 2.357 203 G HA2 -0.055 3.907 3.960 0.004 0.000 0.643 203 G HA3 -0.055 3.907 3.960 0.004 0.000 0.643 203 G C -0.022 174.638 174.900 -0.400 0.000 1.358 203 G CA -0.398 44.270 45.100 -0.720 0.000 0.986 203 G HN -0.215 nan 8.290 nan 0.000 0.620 204 S N -0.171 115.472 115.700 -0.096 0.000 2.539 204 S HA 0.250 4.723 4.470 0.004 0.000 0.221 204 S C 0.567 175.142 174.600 -0.042 0.000 0.987 204 S CA 0.188 58.405 58.200 0.028 0.000 0.929 204 S CB 0.302 63.582 63.200 0.134 0.000 0.832 204 S HN 0.580 nan 8.310 nan 0.000 0.492 205 E N 1.881 122.022 120.200 -0.098 0.000 2.392 205 E HA 0.155 4.507 4.350 0.004 0.000 0.264 205 E C 0.584 177.076 176.600 -0.179 0.000 1.024 205 E CA 0.084 56.414 56.400 -0.116 0.000 0.903 205 E CB 0.445 30.072 29.700 -0.122 0.000 0.963 205 E HN -0.123 nan 8.360 nan 0.000 0.432 206 K N 1.842 122.150 120.400 -0.153 0.000 2.399 206 K HA 0.313 4.635 4.320 0.004 0.000 0.204 206 K C -0.229 176.236 176.600 -0.224 0.000 1.023 206 K CA 0.068 56.243 56.287 -0.186 0.000 1.127 206 K CB 0.262 32.695 32.500 -0.112 0.000 0.856 206 K HN 0.448 nan 8.250 nan 0.000 0.514 207 I N 0.380 120.813 120.570 -0.228 0.000 2.478 207 I HA 0.237 4.409 4.170 0.004 0.000 0.287 207 I C -0.717 175.294 176.117 -0.176 0.000 1.042 207 I CA -1.004 60.201 61.300 -0.158 0.000 1.067 207 I CB 1.473 39.441 38.000 -0.053 0.000 1.233 207 I HN -0.030 nan 8.210 nan 0.000 0.431 208 W N 7.061 128.343 121.300 -0.030 0.000 2.295 208 W HA 0.187 4.849 4.660 0.003 0.000 0.335 208 W C 0.928 177.413 176.519 -0.056 0.000 1.351 208 W CA 0.024 57.335 57.345 -0.057 0.000 1.273 208 W CB 0.198 29.641 29.460 -0.029 0.000 1.214 208 W HN 0.449 nan 8.180 nan 0.000 0.563 209 L N 1.077 122.413 121.223 0.188 0.000 4.291 209 L HA -0.270 4.072 4.340 0.004 0.000 0.413 209 L C 0.675 177.578 176.870 0.056 0.000 1.162 209 L CA 0.201 55.096 54.840 0.093 0.000 0.961 209 L CB -1.635 40.482 42.059 0.097 0.000 2.095 209 L HN 0.572 nan 8.230 nan 0.000 0.838 210 E N 1.313 121.531 120.200 0.029 0.000 2.415 210 E HA 0.264 4.616 4.350 0.004 0.000 0.263 210 E C 0.312 176.935 176.600 0.039 0.000 0.995 210 E CA -0.282 56.132 56.400 0.023 0.000 0.915 210 E CB 0.598 30.294 29.700 -0.005 0.000 0.951 210 E HN 0.262 nan 8.360 nan 0.000 0.449 211 L N 2.917 124.166 121.223 0.042 0.000 2.472 211 L HA 0.109 4.451 4.340 0.004 0.000 0.260 211 L C 0.933 177.839 176.870 0.060 0.000 1.209 211 L CA -0.563 54.306 54.840 0.049 0.000 0.817 211 L CB 0.659 42.739 42.059 0.035 0.000 1.106 211 L HN 0.612 nan 8.230 nan 0.000 0.479 212 S N -0.060 115.682 115.700 0.069 0.000 2.576 212 S HA 0.361 4.833 4.470 0.004 0.000 0.272 212 S C 1.004 175.647 174.600 0.072 0.000 1.352 212 S CA -0.063 58.204 58.200 0.111 0.000 1.021 212 S CB 1.102 64.340 63.200 0.064 0.000 0.887 212 S HN 1.129 nan 8.310 nan 0.000 0.542 213 G N 0.588 109.443 108.800 0.092 0.000 2.157 213 G HA2 -0.079 3.883 3.960 0.004 0.000 0.248 213 G HA3 -0.079 3.883 3.960 0.004 0.000 0.248 213 G C 0.551 175.479 174.900 0.046 0.000 0.979 213 G CA 0.143 45.281 45.100 0.062 0.000 0.650 213 G HN 1.361 nan 8.290 nan 0.000 0.529 214 G N 0.150 108.976 108.800 0.045 0.000 2.588 214 G HA2 0.597 4.559 3.960 0.004 0.000 0.278 214 G HA3 0.597 4.559 3.960 0.004 0.000 0.278 214 G C -0.124 174.792 174.900 0.027 0.000 1.307 214 G CA 0.008 45.125 45.100 0.028 0.000 1.016 214 G HN 0.141 nan 8.290 nan 0.000 0.503 215 P HA -0.049 nan 4.420 nan 0.000 0.222 215 P C 0.472 177.783 177.300 0.019 0.000 1.147 215 P CA 0.872 63.982 63.100 0.016 0.000 0.790 215 P CB 0.324 32.029 31.700 0.007 0.000 0.780 216 N N -0.400 118.310 118.700 0.017 0.000 2.401 216 N HA 0.051 4.793 4.740 0.004 0.000 0.264 216 N C -0.119 175.408 175.510 0.029 0.000 1.238 216 N CA -0.034 53.028 53.050 0.021 0.000 0.889 216 N CB 0.339 38.829 38.487 0.005 0.000 1.196 216 N HN -0.024 nan 8.380 nan 0.000 0.511 217 S N 1.201 116.927 115.700 0.042 0.000 2.575 217 S HA -0.041 4.431 4.470 0.004 0.000 0.295 217 S C 1.578 176.206 174.600 0.046 0.000 1.267 217 S CA -0.219 58.021 58.200 0.066 0.000 1.074 217 S CB 0.541 63.797 63.200 0.093 0.000 0.829 217 S HN 0.463 nan 8.310 nan 0.000 0.497 218 R N 3.553 124.061 120.500 0.013 0.000 2.299 218 R HA 0.090 4.432 4.340 0.004 0.000 0.197 218 R C -0.532 175.604 176.300 -0.272 0.000 0.971 218 R CA 0.478 56.510 56.100 -0.112 0.000 1.030 218 R CB -0.124 30.066 30.300 -0.183 0.000 0.932 218 R HN 0.565 nan 8.270 nan 0.000 0.477 219 Y N 1.001 121.323 120.300 0.036 0.000 2.409 219 Y HA 0.380 4.932 4.550 0.004 0.000 0.339 219 Y C 0.258 176.178 175.900 0.033 0.000 1.033 219 Y CA -0.555 57.567 58.100 0.036 0.000 1.094 219 Y CB 2.104 40.584 38.460 0.033 0.000 1.210 219 Y HN 0.117 nan 8.280 nan 0.000 0.456 220 S N 0.565 116.378 115.700 0.188 0.000 2.661 220 S HA 0.890 5.362 4.470 0.004 0.000 0.285 220 S C 0.149 174.823 174.600 0.123 0.000 1.138 220 S CA -0.375 57.900 58.200 0.125 0.000 0.855 220 S CB 1.565 64.811 63.200 0.077 0.000 1.136 220 S HN 1.445 nan 8.310 nan 0.000 0.484 221 G N 1.395 110.245 108.800 0.084 0.000 2.566 221 G HA2 -0.248 3.714 3.960 0.004 0.000 0.280 221 G HA3 -0.248 3.714 3.960 0.004 0.000 0.280 221 G C -0.364 174.578 174.900 0.069 0.000 1.225 221 G CA 0.550 45.691 45.100 0.068 0.000 0.966 221 G HN 1.153 nan 8.290 nan 0.000 0.560 222 D N 1.033 121.472 120.400 0.064 0.000 2.619 222 D HA 0.403 5.045 4.640 0.004 0.000 0.224 222 D C 1.172 177.516 176.300 0.075 0.000 1.133 222 D CA 0.197 54.229 54.000 0.053 0.000 1.017 222 D CB -0.707 40.118 40.800 0.043 0.000 1.077 222 D HN 0.781 nan 8.370 nan 0.000 0.503 223 R N 1.478 122.029 120.500 0.085 0.000 3.225 223 R HA -0.199 4.143 4.340 0.004 0.000 0.245 223 R C -0.713 175.768 176.300 0.302 0.000 0.928 223 R CA 0.458 56.638 56.100 0.132 0.000 0.632 223 R CB -0.902 29.386 30.300 -0.021 0.000 1.038 223 R HN 0.365 nan 8.270 nan 0.000 0.461 224 Q N 1.192 121.160 119.800 0.279 0.000 2.314 224 Q HA 0.152 4.494 4.340 0.004 0.000 0.257 224 Q C -0.167 175.908 176.000 0.124 0.000 0.975 224 Q CA -0.554 55.364 55.803 0.192 0.000 0.933 224 Q CB 1.282 30.084 28.738 0.108 0.000 1.195 224 Q HN 0.255 nan 8.270 nan 0.000 0.426 225 L N 3.640 124.868 121.223 0.008 0.000 2.360 225 L HA 0.091 4.433 4.340 0.004 0.000 0.276 225 L C 0.300 177.081 176.870 -0.149 0.000 1.121 225 L CA 0.037 54.698 54.840 -0.298 0.000 0.845 225 L CB 0.520 42.451 42.059 -0.214 0.000 1.143 225 L HN 0.524 nan 8.230 nan 0.000 0.452 226 E N 3.155 123.256 120.200 -0.164 0.000 2.366 226 E HA 0.085 4.437 4.350 0.004 0.000 0.266 226 E C -0.602 175.976 176.600 -0.037 0.000 1.015 226 E CA -0.151 56.211 56.400 -0.062 0.000 0.906 226 E CB 0.017 29.705 29.700 -0.021 0.000 0.979 226 E HN 0.643 nan 8.360 nan 0.000 0.443 227 N N 3.692 122.371 118.700 -0.035 0.000 2.479 227 N HA 0.049 4.792 4.740 0.004 0.000 0.257 227 N C -1.696 173.797 175.510 -0.030 0.000 1.232 227 N CA -1.098 51.927 53.050 -0.042 0.000 0.920 227 N CB 0.620 39.066 38.487 -0.069 0.000 1.105 227 N HN 0.565 nan 8.380 nan 0.000 0.444 228 P HA 0.113 nan 4.420 nan 0.000 0.254 228 P C -0.650 176.644 177.300 -0.009 0.000 1.494 228 P CA 0.146 63.224 63.100 -0.036 0.000 0.961 228 P CB 0.254 31.913 31.700 -0.068 0.000 1.493 229 L N 0.312 121.547 121.223 0.021 0.000 2.439 229 L HA 0.409 4.751 4.340 0.004 0.000 0.269 229 L C 1.186 178.070 176.870 0.023 0.000 1.179 229 L CA -0.299 54.555 54.840 0.024 0.000 0.828 229 L CB 0.701 42.754 42.059 -0.010 0.000 1.106 229 L HN -0.025 nan 8.230 nan 0.000 0.467 230 A N 1.922 124.786 122.820 0.074 0.000 2.605 230 A HA 0.682 5.004 4.320 0.004 0.000 0.292 230 A C 0.093 177.780 177.584 0.171 0.000 1.055 230 A CA 0.161 52.265 52.037 0.110 0.000 0.969 230 A CB 0.411 19.477 19.000 0.110 0.000 1.236 230 A HN 0.691 nan 8.150 nan 0.000 0.534 231 A N -0.573 122.317 122.820 0.117 0.000 2.498 231 A HA 0.617 4.939 4.320 0.004 0.000 0.298 231 A C 0.821 178.459 177.584 0.089 0.000 1.075 231 A CA 0.209 52.309 52.037 0.106 0.000 0.714 231 A CB 0.920 19.924 19.000 0.006 0.000 1.299 231 A HN 1.158 nan 8.150 nan 0.000 0.407 232 V N -1.649 118.357 119.914 0.152 0.000 3.129 232 V HA 0.216 4.338 4.120 0.004 0.000 0.259 232 V C 0.348 176.570 176.094 0.213 0.000 1.116 232 V CA 1.266 63.727 62.300 0.269 0.000 1.127 232 V CB -1.039 30.950 31.823 0.277 0.000 0.742 232 V HN 0.726 nan 8.190 nan 0.000 0.474 233 Q N -0.166 119.674 119.800 0.066 0.000 2.418 233 Q HA 0.553 4.896 4.340 0.004 0.000 0.282 233 Q C -1.133 174.801 176.000 -0.111 0.000 1.044 233 Q CA -0.956 54.854 55.803 0.012 0.000 0.813 233 Q CB 2.340 31.092 28.738 0.025 0.000 1.428 233 Q HN 0.309 nan 8.270 nan 0.000 0.402 234 M N 1.308 120.834 119.600 -0.123 0.000 2.307 234 M HA 0.331 4.814 4.480 0.004 0.000 0.346 234 M C 0.738 176.896 176.300 -0.237 0.000 1.552 234 M CA 1.670 56.836 55.300 -0.223 0.000 1.116 234 M CB -0.539 31.936 32.600 -0.209 0.000 1.889 234 M HN 0.845 nan 8.290 nan 0.000 0.460 235 G N 3.914 112.243 108.800 -0.785 0.000 2.159 235 G HA2 -0.148 3.814 3.960 0.004 0.000 0.227 235 G HA3 -0.148 3.814 3.960 0.004 0.000 0.227 235 G C -0.317 174.131 174.900 -0.753 0.000 0.986 235 G CA 0.016 44.461 45.100 -1.092 0.000 0.651 235 G HN 0.689 nan 8.290 nan 0.000 0.523 236 L N 0.927 121.794 121.223 -0.593 0.000 2.334 236 L HA 0.502 4.845 4.340 0.004 0.000 0.272 236 L C 1.739 178.443 176.870 -0.278 0.000 1.020 236 L CA -1.456 53.213 54.840 -0.286 0.000 0.812 236 L CB 1.030 43.021 42.059 -0.114 0.000 1.264 236 L HN -0.152 nan 8.230 nan 0.000 0.439 237 I N 0.501 120.945 120.570 -0.209 0.000 2.193 237 I HA -0.181 3.992 4.170 0.004 0.000 0.240 237 I C 1.245 177.048 176.117 -0.524 0.000 1.084 237 I CA 2.149 63.220 61.300 -0.382 0.000 1.365 237 I CB -0.510 37.082 38.000 -0.681 0.000 1.064 237 I HN 0.651 nan 8.210 nan 0.000 0.410 238 Y N -0.597 119.703 120.300 -0.001 0.000 3.274 238 Y HA 0.258 4.810 4.550 0.004 0.000 0.174 238 Y C 0.647 176.608 175.900 0.102 0.000 0.880 238 Y CA -0.386 57.744 58.100 0.049 0.000 1.793 238 Y CB 0.062 38.571 38.460 0.081 0.000 1.409 238 Y HN -0.152 nan 8.280 nan 0.000 0.368 239 V N -1.017 119.091 119.914 0.323 0.000 3.113 239 V HA 0.509 4.631 4.120 0.004 0.000 0.316 239 V C -0.742 175.463 176.094 0.185 0.000 1.125 239 V CA -1.181 61.265 62.300 0.243 0.000 1.026 239 V CB 1.756 33.733 31.823 0.257 0.000 1.080 239 V HN 0.329 nan 8.190 nan 0.000 0.444 240 N N 2.746 121.538 118.700 0.153 0.000 2.430 240 N HA 0.357 5.099 4.740 0.004 0.000 0.265 240 N C -1.578 174.023 175.510 0.153 0.000 1.100 240 N CA -1.824 51.305 53.050 0.131 0.000 0.961 240 N CB 1.666 40.217 38.487 0.107 0.000 1.075 240 N HN 0.610 nan 8.380 nan 0.000 0.478 241 P HA -0.051 nan 4.420 nan 0.000 0.226 241 P C 0.211 177.620 177.300 0.182 0.000 1.153 241 P CA 1.108 64.319 63.100 0.185 0.000 0.777 241 P CB 0.458 32.272 31.700 0.190 0.000 0.794 242 E N -0.344 119.955 120.200 0.166 0.000 2.371 242 E HA 0.268 4.621 4.350 0.004 0.000 0.194 242 E C 1.013 177.719 176.600 0.177 0.000 1.012 242 E CA 0.401 56.917 56.400 0.193 0.000 0.860 242 E CB -0.034 29.788 29.700 0.203 0.000 0.811 242 E HN 0.245 nan 8.360 nan 0.000 0.502 243 G N 1.311 110.197 108.800 0.143 0.000 2.355 243 G HA2 -0.087 3.876 3.960 0.004 0.000 0.619 243 G HA3 -0.087 3.876 3.960 0.004 0.000 0.619 243 G C -3.120 171.829 174.900 0.082 0.000 1.337 243 G CA -1.344 43.822 45.100 0.111 0.000 0.993 243 G HN -0.218 nan 8.290 nan 0.000 0.599 244 P HA 0.295 nan 4.420 nan 0.000 0.266 244 P C -0.177 177.128 177.300 0.008 0.000 1.215 244 P CA 0.692 63.803 63.100 0.017 0.000 0.763 244 P CB 0.373 32.062 31.700 -0.019 0.000 0.806 245 D N 3.347 123.754 120.400 0.011 0.000 2.811 245 D HA -0.195 4.447 4.640 0.004 0.000 0.231 245 D C 1.106 177.432 176.300 0.044 0.000 1.157 245 D CA 1.982 55.993 54.000 0.018 0.000 0.716 245 D CB -1.546 39.247 40.800 -0.012 0.000 1.077 245 D HN 0.806 nan 8.370 nan 0.000 0.428 246 G N -0.468 108.373 108.800 0.068 0.000 2.143 246 G HA2 -0.314 3.649 3.960 0.004 0.000 0.249 246 G HA3 -0.314 3.649 3.960 0.004 0.000 0.249 246 G C -0.010 174.963 174.900 0.121 0.000 0.981 246 G CA 0.126 45.292 45.100 0.109 0.000 0.665 246 G HN 0.407 nan 8.290 nan 0.000 0.528 247 N N 1.275 120.007 118.700 0.055 0.000 2.437 247 N HA 0.407 5.150 4.740 0.004 0.000 0.259 247 N C -2.595 172.900 175.510 -0.024 0.000 0.983 247 N CA -1.362 51.684 53.050 -0.008 0.000 0.937 247 N CB 2.212 40.695 38.487 -0.007 0.000 1.122 247 N HN 0.105 nan 8.380 nan 0.000 0.499 248 P HA 0.081 nan 4.420 nan 0.000 0.225 248 P C -0.817 176.567 177.300 0.139 0.000 1.813 248 P CA -0.073 63.027 63.100 -0.001 0.000 1.013 248 P CB -0.119 31.432 31.700 -0.247 0.000 1.961 249 D N 2.497 122.950 120.400 0.088 0.000 2.460 249 D HA 0.230 4.872 4.640 0.004 0.000 0.232 249 D C -1.839 174.487 176.300 0.045 0.000 1.079 249 D CA -2.524 51.513 54.000 0.061 0.000 0.864 249 D CB 1.569 42.382 40.800 0.023 0.000 1.048 249 D HN -0.012 nan 8.370 nan 0.000 0.523 250 P HA -0.080 nan 4.420 nan 0.000 0.223 250 P C 1.424 178.750 177.300 0.044 0.000 1.151 250 P CA 0.359 63.454 63.100 -0.008 0.000 0.787 250 P CB 0.563 32.197 31.700 -0.110 0.000 0.788 251 V N 0.083 120.015 119.914 0.030 0.000 2.407 251 V HA -0.152 3.970 4.120 0.004 0.000 0.245 251 V C 2.472 178.589 176.094 0.039 0.000 1.041 251 V CA 2.024 64.353 62.300 0.048 0.000 1.040 251 V CB -1.683 30.160 31.823 0.033 0.000 0.671 251 V HN 0.084 nan 8.190 nan 0.000 0.455 252 A N 0.357 123.194 122.820 0.028 0.000 1.902 252 A HA -0.118 4.204 4.320 0.004 0.000 0.217 252 A C 2.444 180.054 177.584 0.044 0.000 1.181 252 A CA 2.078 54.130 52.037 0.025 0.000 0.623 252 A CB -0.848 18.159 19.000 0.012 0.000 0.818 252 A HN 0.561 nan 8.150 nan 0.000 0.443 253 A N -0.033 122.823 122.820 0.060 0.000 1.917 253 A HA 0.068 4.391 4.320 0.004 0.000 0.219 253 A C 2.495 180.144 177.584 0.108 0.000 1.182 253 A CA 2.304 54.392 52.037 0.085 0.000 0.633 253 A CB -1.040 18.015 19.000 0.091 0.000 0.819 253 A HN 1.138 nan 8.150 nan 0.000 0.448 254 A N -0.255 122.634 122.820 0.115 0.000 1.933 254 A HA -0.176 4.147 4.320 0.004 0.000 0.218 254 A C 2.227 179.884 177.584 0.122 0.000 1.175 254 A CA 1.475 53.619 52.037 0.178 0.000 0.628 254 A CB -0.467 18.627 19.000 0.157 0.000 0.814 254 A HN 0.588 nan 8.150 nan 0.000 0.444 255 R N -0.381 120.158 120.500 0.066 0.000 2.081 255 R HA -0.121 4.221 4.340 0.004 0.000 0.235 255 R C 1.487 177.845 176.300 0.097 0.000 1.131 255 R CA 1.467 57.598 56.100 0.051 0.000 0.960 255 R CB -0.470 29.849 30.300 0.032 0.000 0.856 255 R HN 0.441 nan 8.270 nan 0.000 0.436 256 D N 0.763 121.232 120.400 0.115 0.000 2.117 256 D HA -0.088 4.554 4.640 0.004 0.000 0.198 256 D C 1.922 178.341 176.300 0.198 0.000 0.982 256 D CA 0.965 55.060 54.000 0.158 0.000 0.828 256 D CB -0.152 40.739 40.800 0.152 0.000 0.967 256 D HN 0.166 nan 8.370 nan 0.000 0.464 257 I N 0.463 121.147 120.570 0.191 0.000 2.163 257 I HA -0.267 3.905 4.170 0.004 0.000 0.243 257 I C 2.580 178.830 176.117 0.221 0.000 1.085 257 I CA 1.031 62.449 61.300 0.195 0.000 1.347 257 I CB -0.181 37.867 38.000 0.080 0.000 1.044 257 I HN -0.059 nan 8.210 nan 0.000 0.408 258 R N 0.804 121.430 120.500 0.210 0.000 2.081 258 R HA -0.241 4.102 4.340 0.004 0.000 0.235 258 R C 2.069 178.470 176.300 0.168 0.000 1.131 258 R CA 2.231 58.442 56.100 0.185 0.000 0.960 258 R CB -0.273 30.063 30.300 0.061 0.000 0.856 258 R HN 0.291 nan 8.270 nan 0.000 0.436 259 D N -0.483 120.009 120.400 0.153 0.000 2.084 259 D HA -0.143 4.499 4.640 0.004 0.000 0.194 259 D C 1.853 178.244 176.300 0.152 0.000 0.990 259 D CA 2.339 56.424 54.000 0.141 0.000 0.826 259 D CB -0.246 40.646 40.800 0.152 0.000 0.971 259 D HN 0.405 nan 8.370 nan 0.000 0.453 260 T N -1.954 112.714 114.554 0.189 0.000 2.737 260 T HA -0.147 4.206 4.350 0.004 0.000 0.265 260 T C 2.134 176.858 174.700 0.039 0.000 1.038 260 T CA 0.932 63.132 62.100 0.166 0.000 1.144 260 T CB -1.036 67.986 68.868 0.257 0.000 0.866 260 T HN 0.056 nan 8.240 nan 0.000 0.434 261 F N 2.476 122.325 119.950 -0.169 0.000 2.171 261 F HA 0.183 4.712 4.527 0.003 0.000 0.300 261 F C 2.955 178.716 175.800 -0.066 0.000 1.090 261 F CA 0.523 58.376 58.000 -0.246 0.000 1.293 261 F CB -0.992 37.879 39.000 -0.216 0.000 1.013 261 F HN 0.286 nan 8.300 nan 0.000 0.486 262 A N 0.029 122.943 122.820 0.157 0.000 1.933 262 A HA -0.198 4.125 4.320 0.004 0.000 0.218 262 A C 2.220 179.849 177.584 0.074 0.000 1.175 262 A CA 1.504 53.608 52.037 0.112 0.000 0.628 262 A CB -0.625 18.437 19.000 0.103 0.000 0.814 262 A HN 0.342 nan 8.150 nan 0.000 0.444 263 R N -1.006 119.530 120.500 0.060 0.000 2.316 263 R HA 0.159 4.502 4.340 0.004 0.000 0.202 263 R C 0.858 177.166 176.300 0.013 0.000 1.029 263 R CA 0.767 56.886 56.100 0.031 0.000 1.018 263 R CB -0.106 30.219 30.300 0.041 0.000 0.888 263 R HN 0.512 nan 8.270 nan 0.000 0.471 264 M N -0.494 119.126 119.600 0.033 0.000 2.576 264 M HA 0.293 4.775 4.480 0.004 0.000 0.322 264 M C 0.170 176.566 176.300 0.161 0.000 1.184 264 M CA -0.164 55.204 55.300 0.112 0.000 0.967 264 M CB 1.233 33.879 32.600 0.076 0.000 1.372 264 M HN 0.122 nan 8.290 nan 0.000 0.509 265 A N 0.776 123.667 122.820 0.118 0.000 2.969 265 A HA -0.142 4.180 4.320 0.004 0.000 0.252 265 A C -0.055 177.569 177.584 0.067 0.000 1.377 265 A CA 0.811 52.916 52.037 0.114 0.000 0.859 265 A CB -1.500 17.604 19.000 0.174 0.000 1.077 265 A HN 0.492 nan 8.150 nan 0.000 0.671 266 M N 0.677 120.331 119.600 0.089 0.000 2.321 266 M HA 0.393 4.875 4.480 0.004 0.000 0.315 266 M C 0.325 176.721 176.300 0.159 0.000 1.052 266 M CA -0.690 54.685 55.300 0.125 0.000 0.936 266 M CB 1.524 34.252 32.600 0.212 0.000 1.639 266 M HN 0.698 nan 8.290 nan 0.000 0.433 267 N N 1.042 119.828 118.700 0.143 0.000 2.418 267 N HA 0.207 4.949 4.740 0.004 0.000 0.283 267 N C 0.142 175.747 175.510 0.159 0.000 1.267 267 N CA -0.210 52.923 53.050 0.139 0.000 0.975 267 N CB 0.478 39.037 38.487 0.121 0.000 1.167 267 N HN 0.376 nan 8.380 nan 0.000 0.581 268 D N -0.612 119.885 120.400 0.161 0.000 2.104 268 D HA -0.207 4.435 4.640 0.004 0.000 0.194 268 D C 1.376 177.787 176.300 0.185 0.000 0.994 268 D CA 1.541 55.684 54.000 0.239 0.000 0.830 268 D CB -0.216 40.692 40.800 0.179 0.000 0.959 268 D HN 0.841 nan 8.370 nan 0.000 0.452 269 E N 0.527 120.819 120.200 0.154 0.000 2.072 269 E HA -0.188 4.165 4.350 0.004 0.000 0.191 269 E C 1.694 178.465 176.600 0.284 0.000 0.985 269 E CA 0.995 57.509 56.400 0.190 0.000 0.801 269 E CB 0.092 29.910 29.700 0.197 0.000 0.750 269 E HN 0.320 nan 8.360 nan 0.000 0.452 270 E N -0.300 120.034 120.200 0.224 0.000 2.106 270 E HA -0.133 4.219 4.350 0.004 0.000 0.192 270 E C 2.095 178.806 176.600 0.185 0.000 0.984 270 E CA 1.559 58.092 56.400 0.222 0.000 0.806 270 E CB -0.021 29.779 29.700 0.167 0.000 0.750 270 E HN 0.233 nan 8.360 nan 0.000 0.458 271 T N 0.826 115.427 114.554 0.079 0.000 2.737 271 T HA -0.119 4.233 4.350 0.004 0.000 0.265 271 T C 2.145 176.670 174.700 -0.291 0.000 1.038 271 T CA 1.101 63.071 62.100 -0.217 0.000 1.144 271 T CB -0.220 68.421 68.868 -0.378 0.000 0.866 271 T HN -0.025 nan 8.240 nan 0.000 0.434 272 V N 1.793 121.603 119.914 -0.172 0.000 2.343 272 V HA -0.180 3.942 4.120 0.004 0.000 0.247 272 V C 2.887 179.093 176.094 0.188 0.000 1.051 272 V CA 1.754 64.000 62.300 -0.089 0.000 1.036 272 V CB -1.221 30.609 31.823 0.012 0.000 0.654 272 V HN 0.532 nan 8.190 nan 0.000 0.451 273 A N -0.450 122.622 122.820 0.421 0.000 1.902 273 A HA -0.136 4.186 4.320 0.004 0.000 0.217 273 A C 2.236 179.948 177.584 0.213 0.000 1.181 273 A CA 1.722 54.045 52.037 0.478 0.000 0.623 273 A CB -0.501 18.787 19.000 0.479 0.000 0.818 273 A HN 0.489 nan 8.150 nan 0.000 0.443 274 L N -0.735 120.605 121.223 0.196 0.000 2.056 274 L HA -0.158 4.185 4.340 0.004 0.000 0.207 274 L C 2.501 179.274 176.870 -0.161 0.000 1.078 274 L CA 1.256 56.208 54.840 0.186 0.000 0.749 274 L CB -0.424 41.830 42.059 0.325 0.000 0.901 274 L HN 0.391 nan 8.230 nan 0.000 0.433 275 I N -0.473 119.912 120.570 -0.308 0.000 2.193 275 I HA -0.237 3.936 4.170 0.004 0.000 0.240 275 I C 2.798 178.349 176.117 -0.945 0.000 1.084 275 I CA 1.104 62.047 61.300 -0.595 0.000 1.365 275 I CB -0.477 37.190 38.000 -0.555 0.000 1.064 275 I HN 0.162 nan 8.210 nan 0.000 0.410 276 A N 1.069 123.350 122.820 -0.899 0.000 1.883 276 A HA -0.156 4.166 4.320 0.004 0.000 0.217 276 A C 2.427 179.412 177.584 -0.998 0.000 1.186 276 A CA 2.062 53.237 52.037 -1.438 0.000 0.624 276 A CB -1.563 16.831 19.000 -1.011 0.000 0.822 276 A HN 0.471 nan 8.150 nan 0.000 0.444 277 G N -0.601 107.747 108.800 -0.753 0.000 2.480 277 G HA2 -0.039 3.923 3.960 0.004 0.000 0.216 277 G HA3 -0.039 3.923 3.960 0.004 0.000 0.216 277 G C 1.604 175.898 174.900 -1.011 0.000 1.200 277 G CA 1.409 45.595 45.100 -1.523 0.000 0.782 277 G HN 0.766 nan 8.290 nan 0.000 0.554 278 G N -0.236 108.154 108.800 -0.684 0.000 2.446 278 G HA2 -0.208 3.754 3.960 0.004 0.000 0.217 278 G HA3 -0.208 3.754 3.960 0.004 0.000 0.217 278 G C 1.466 176.205 174.900 -0.268 0.000 1.168 278 G CA 0.971 45.930 45.100 -0.235 0.000 0.771 278 G HN 0.673 nan 8.290 nan 0.000 0.551 279 H N -0.183 118.370 119.070 -0.860 0.000 2.543 279 H HA 0.119 4.677 4.556 0.004 0.000 0.269 279 H C 2.041 176.840 175.328 -0.881 0.000 1.005 279 H CA 0.167 55.372 56.048 -1.405 0.000 1.146 279 H CB 0.376 28.918 29.762 -2.033 0.000 1.353 279 H HN 0.247 nan 8.280 nan 0.000 0.595 280 T N 0.397 114.580 114.554 -0.618 0.000 3.007 280 T HA -0.060 4.292 4.350 0.004 0.000 0.270 280 T C 0.073 174.384 174.700 -0.648 0.000 1.107 280 T CA 0.918 62.636 62.100 -0.636 0.000 1.118 280 T CB -0.046 68.266 68.868 -0.926 0.000 0.889 280 T HN 0.098 nan 8.240 nan 0.000 0.506 281 F N 0.033 119.943 119.950 -0.066 0.000 2.522 281 F HA 0.585 5.114 4.527 0.003 0.000 0.324 281 F C 1.196 177.103 175.800 0.178 0.000 1.077 281 F CA -0.585 57.426 58.000 0.017 0.000 0.944 281 F CB 1.458 40.453 39.000 -0.008 0.000 1.175 281 F HN 0.212 nan 8.300 nan 0.000 0.468 282 G N 2.459 111.448 108.800 0.315 0.000 2.562 282 G HA2 -0.084 3.878 3.960 0.004 0.000 0.250 282 G HA3 -0.084 3.878 3.960 0.004 0.000 0.250 282 G C -1.042 174.098 174.900 0.399 0.000 1.269 282 G CA 0.053 45.364 45.100 0.352 0.000 0.919 282 G HN 1.082 nan 8.290 nan 0.000 0.574 283 K N -1.863 118.733 120.400 0.327 0.000 2.607 283 K HA 0.697 5.019 4.320 0.004 0.000 0.287 283 K C -0.188 176.262 176.600 -0.251 0.000 0.996 283 K CA -0.157 56.063 56.287 -0.111 0.000 0.876 283 K CB 1.210 33.645 32.500 -0.108 0.000 1.496 283 K HN 1.432 nan 8.250 nan 0.000 0.415 284 T N -1.245 113.001 114.554 -0.513 0.000 2.897 284 T HA 0.464 4.817 4.350 0.004 0.000 0.278 284 T C -0.717 173.574 174.700 -0.681 0.000 0.981 284 T CA -0.410 61.470 62.100 -0.368 0.000 0.973 284 T CB 0.605 69.319 68.868 -0.256 0.000 1.092 284 T HN 0.657 nan 8.240 nan 0.000 0.543 285 H N -0.957 118.090 119.070 -0.039 0.000 2.906 285 H HA 0.609 5.167 4.556 0.004 0.000 0.324 285 H C 0.325 175.622 175.328 -0.052 0.000 0.973 285 H CA -0.635 55.395 56.048 -0.030 0.000 1.321 285 H CB 1.490 31.273 29.762 0.035 0.000 1.535 285 H HN 1.044 nan 8.280 nan 0.000 0.518 286 G N 1.302 110.083 108.800 -0.033 0.000 4.613 286 G HA2 0.404 4.366 3.960 0.004 0.000 0.232 286 G HA3 0.404 4.366 3.960 0.004 0.000 0.232 286 G C 0.813 175.638 174.900 -0.126 0.000 0.947 286 G CA 0.108 45.163 45.100 -0.074 0.000 0.715 286 G HN 0.713 nan 8.290 nan 0.000 0.518 287 A N -0.307 122.445 122.820 -0.113 0.000 2.066 287 A HA 0.598 4.920 4.320 0.004 0.000 0.218 287 A C 1.421 178.757 177.584 -0.413 0.000 1.157 287 A CA 1.499 53.460 52.037 -0.127 0.000 0.670 287 A CB 0.101 19.149 19.000 0.080 0.000 0.804 287 A HN 1.277 nan 8.150 nan 0.000 0.453 288 G N -2.323 106.049 108.800 -0.712 0.000 2.721 288 G HA2 0.511 4.474 3.960 0.004 0.000 0.296 288 G HA3 0.511 4.474 3.960 0.004 0.000 0.296 288 G C -3.464 171.127 174.900 -0.514 0.000 1.383 288 G CA -1.262 43.242 45.100 -0.992 0.000 0.788 288 G HN -0.106 nan 8.290 nan 0.000 0.500 289 P HA 0.229 nan 4.420 nan 0.000 0.264 289 P C 0.790 178.018 177.300 -0.119 0.000 1.183 289 P CA 0.575 63.572 63.100 -0.172 0.000 0.763 289 P CB 1.153 32.791 31.700 -0.103 0.000 0.807 290 A N 3.175 125.950 122.820 -0.075 0.000 2.125 290 A HA -0.156 4.167 4.320 0.004 0.000 0.219 290 A C 2.013 179.601 177.584 0.006 0.000 1.156 290 A CA 1.806 53.825 52.037 -0.029 0.000 0.671 290 A CB -1.408 17.580 19.000 -0.021 0.000 0.794 290 A HN 0.594 nan 8.150 nan 0.000 0.459 291 S N 0.408 116.109 115.700 0.001 0.000 2.469 291 S HA -0.144 4.328 4.470 0.004 0.000 0.238 291 S C 1.458 176.083 174.600 0.042 0.000 0.998 291 S CA 1.086 59.299 58.200 0.022 0.000 0.957 291 S CB -0.605 62.603 63.200 0.014 0.000 0.764 291 S HN 0.633 nan 8.310 nan 0.000 0.514 292 N N 1.163 119.892 118.700 0.048 0.000 2.396 292 N HA 0.056 4.798 4.740 0.004 0.000 0.180 292 N C -0.018 175.553 175.510 0.101 0.000 1.028 292 N CA 0.467 53.569 53.050 0.087 0.000 0.893 292 N CB -0.037 38.527 38.487 0.129 0.000 0.967 292 N HN 0.315 nan 8.380 nan 0.000 0.440 293 V N 0.879 120.852 119.914 0.099 0.000 2.465 293 V HA 0.413 4.535 4.120 0.004 0.000 0.279 293 V C 1.047 177.218 176.094 0.129 0.000 1.045 293 V CA -0.658 61.725 62.300 0.139 0.000 0.938 293 V CB 1.215 33.134 31.823 0.161 0.000 0.986 293 V HN 0.091 nan 8.190 nan 0.000 0.467 294 G N 2.609 111.482 108.800 0.122 0.000 2.583 294 G HA2 0.614 4.576 3.960 0.004 0.000 0.280 294 G HA3 0.614 4.576 3.960 0.004 0.000 0.280 294 G C 0.101 174.997 174.900 -0.006 0.000 1.376 294 G CA -0.273 44.859 45.100 0.054 0.000 1.043 294 G HN 1.078 nan 8.290 nan 0.000 0.538 295 A N 0.137 122.908 122.820 -0.083 0.000 2.540 295 A HA 0.376 4.698 4.320 0.004 0.000 0.239 295 A C 0.995 178.310 177.584 -0.448 0.000 1.061 295 A CA 0.016 51.941 52.037 -0.187 0.000 0.758 295 A CB -0.108 18.803 19.000 -0.148 0.000 0.991 295 A HN 0.718 nan 8.150 nan 0.000 0.502 296 E N 3.002 122.820 120.200 -0.635 0.000 2.409 296 E HA 0.054 4.406 4.350 0.004 0.000 0.257 296 E C -2.147 173.958 176.600 -0.826 0.000 1.150 296 E CA -1.143 54.524 56.400 -1.222 0.000 0.942 296 E CB -0.415 28.770 29.700 -0.858 0.000 0.979 296 E HN 0.346 nan 8.360 nan 0.000 0.447 297 P HA -0.189 nan 4.420 nan 0.000 0.216 297 P C 0.999 178.109 177.300 -0.316 0.000 1.157 297 P CA 1.518 64.307 63.100 -0.518 0.000 0.880 297 P CB 0.170 31.594 31.700 -0.459 0.000 0.791 298 E N -1.119 118.923 120.200 -0.262 0.000 2.347 298 E HA -0.029 4.324 4.350 0.004 0.000 0.196 298 E C 1.742 178.273 176.600 -0.115 0.000 1.008 298 E CA 0.963 57.279 56.400 -0.140 0.000 0.852 298 E CB -0.401 29.257 29.700 -0.071 0.000 0.783 298 E HN 0.224 nan 8.360 nan 0.000 0.505 299 A N 0.687 123.415 122.820 -0.153 0.000 2.267 299 A HA 0.401 4.723 4.320 0.004 0.000 0.213 299 A C 1.260 178.770 177.584 -0.124 0.000 1.192 299 A CA 0.372 52.341 52.037 -0.113 0.000 0.851 299 A CB 0.195 19.137 19.000 -0.096 0.000 0.881 299 A HN 0.142 nan 8.150 nan 0.000 0.494 300 A N 0.100 122.820 122.820 -0.166 0.000 2.332 300 A HA 0.539 4.861 4.320 0.004 0.000 0.258 300 A C 0.972 178.494 177.584 -0.104 0.000 1.087 300 A CA 0.151 52.100 52.037 -0.147 0.000 0.802 300 A CB -0.324 18.561 19.000 -0.192 0.000 1.042 300 A HN 0.857 nan 8.150 nan 0.000 0.489 301 G N -0.311 108.439 108.800 -0.082 0.000 2.559 301 G HA2 0.285 4.247 3.960 0.004 0.000 0.235 301 G HA3 0.285 4.247 3.960 0.004 0.000 0.235 301 G C 0.880 175.738 174.900 -0.071 0.000 1.266 301 G CA 0.121 45.183 45.100 -0.064 0.000 0.847 301 G HN 0.880 nan 8.290 nan 0.000 0.583 302 I N 0.448 120.982 120.570 -0.060 0.000 2.264 302 I HA -0.182 3.990 4.170 0.004 0.000 0.248 302 I C 2.778 178.856 176.117 -0.065 0.000 1.111 302 I CA 1.808 63.071 61.300 -0.061 0.000 1.382 302 I CB 0.040 38.011 38.000 -0.048 0.000 1.060 302 I HN 0.752 nan 8.210 nan 0.000 0.418 303 E N 1.311 121.477 120.200 -0.057 0.000 2.409 303 E HA -0.182 4.171 4.350 0.004 0.000 0.198 303 E C 1.744 178.302 176.600 -0.069 0.000 1.024 303 E CA 1.132 57.499 56.400 -0.056 0.000 0.861 303 E CB -0.386 29.289 29.700 -0.041 0.000 0.788 303 E HN 0.559 nan 8.360 nan 0.000 0.521 304 A N 0.909 123.681 122.820 -0.081 0.000 2.167 304 A HA -0.084 4.238 4.320 0.004 0.000 0.214 304 A C 0.823 178.333 177.584 -0.124 0.000 1.151 304 A CA 0.381 52.360 52.037 -0.097 0.000 0.735 304 A CB -0.176 18.761 19.000 -0.106 0.000 0.802 304 A HN 0.187 nan 8.150 nan 0.000 0.467 305 Q N -2.150 117.578 119.800 -0.119 0.000 2.439 305 Q HA -0.256 4.086 4.340 0.004 0.000 0.325 305 Q C 0.942 176.844 176.000 -0.163 0.000 1.372 305 Q CA 1.175 56.897 55.803 -0.135 0.000 0.909 305 Q CB -2.346 26.310 28.738 -0.137 0.000 1.167 305 Q HN 1.731 nan 8.270 nan 0.000 0.418 306 G N -1.481 107.223 108.800 -0.160 0.000 2.199 306 G HA2 -0.304 3.658 3.960 0.004 0.000 0.254 306 G HA3 -0.304 3.658 3.960 0.004 0.000 0.254 306 G C 0.241 175.024 174.900 -0.194 0.000 0.982 306 G CA 0.383 45.375 45.100 -0.180 0.000 0.632 306 G HN 0.333 nan 8.290 nan 0.000 0.529 307 L N -0.079 121.034 121.223 -0.183 0.000 2.400 307 L HA 0.821 5.163 4.340 0.004 0.000 0.264 307 L C 1.015 177.764 176.870 -0.202 0.000 1.061 307 L CA -0.314 54.425 54.840 -0.169 0.000 0.799 307 L CB 1.621 43.592 42.059 -0.147 0.000 1.240 307 L HN 0.329 nan 8.230 nan 0.000 0.461 308 G N -2.283 106.403 108.800 -0.189 0.000 2.749 308 G HA2 0.384 4.346 3.960 0.004 0.000 0.300 308 G HA3 0.384 4.346 3.960 0.004 0.000 0.300 308 G C -1.456 173.427 174.900 -0.027 0.000 1.352 308 G CA -0.484 44.423 45.100 -0.321 0.000 0.789 308 G HN 0.699 nan 8.290 nan 0.000 0.509 309 W N 0.016 121.270 121.300 -0.077 0.000 5.121 309 W HA -0.169 4.493 4.660 0.004 0.000 0.372 309 W C 0.755 177.271 176.519 -0.005 0.000 1.394 309 W CA 0.856 58.172 57.345 -0.049 0.000 0.885 309 W CB -1.109 28.307 29.460 -0.073 0.000 2.520 309 W HN 0.645 nan 8.180 nan 0.000 1.455 310 K N 1.677 122.166 120.400 0.148 0.000 2.447 310 K HA 0.216 4.539 4.320 0.004 0.000 0.281 310 K C 0.479 177.170 176.600 0.151 0.000 1.031 310 K CA 0.493 56.863 56.287 0.138 0.000 1.019 310 K CB 0.742 33.285 32.500 0.072 0.000 0.918 310 K HN -0.026 nan 8.250 nan 0.000 0.476 311 S N 3.005 118.813 115.700 0.180 0.000 2.451 311 S HA 0.469 4.942 4.470 0.004 0.000 0.301 311 S C 0.386 175.071 174.600 0.141 0.000 1.116 311 S CA -0.465 57.838 58.200 0.172 0.000 1.093 311 S CB 1.513 64.841 63.200 0.213 0.000 1.017 311 S HN 0.687 nan 8.310 nan 0.000 0.482 312 A N 4.194 127.090 122.820 0.127 0.000 2.251 312 A HA 0.203 4.525 4.320 0.004 0.000 0.209 312 A C 0.155 177.808 177.584 0.116 0.000 1.187 312 A CA 0.018 52.113 52.037 0.096 0.000 0.823 312 A CB -0.415 18.632 19.000 0.078 0.000 0.846 312 A HN 0.838 nan 8.150 nan 0.000 0.486 313 Y N 2.180 122.496 120.300 0.027 0.000 2.539 313 Y HA 0.363 4.916 4.550 0.004 0.000 0.352 313 Y C 0.994 176.890 175.900 -0.006 0.000 1.004 313 Y CA -0.568 57.538 58.100 0.009 0.000 1.278 313 Y CB -0.428 38.038 38.460 0.009 0.000 1.136 313 Y HN 0.553 nan 8.280 nan 0.000 0.528 314 R N 0.448 120.649 120.500 -0.499 0.000 3.853 314 R HA -0.336 4.006 4.340 0.004 0.000 0.440 314 R C 1.595 177.772 176.300 -0.205 0.000 0.241 314 R CA 2.396 58.236 56.100 -0.434 0.000 1.395 314 R CB -1.726 28.163 30.300 -0.685 0.000 0.984 314 R HN 0.741 nan 8.270 nan 0.000 0.570 315 T N -0.733 113.711 114.554 -0.184 0.000 3.072 315 T HA 0.148 4.501 4.350 0.004 0.000 0.266 315 T C 1.442 176.119 174.700 -0.039 0.000 1.127 315 T CA 1.484 63.519 62.100 -0.107 0.000 1.107 315 T CB 0.093 68.874 68.868 -0.144 0.000 0.910 315 T HN 1.283 nan 8.240 nan 0.000 0.513 316 G N 1.844 110.642 108.800 -0.004 0.000 2.162 316 G HA2 -0.259 3.703 3.960 0.004 0.000 0.260 316 G HA3 -0.259 3.703 3.960 0.004 0.000 0.260 316 G C -0.056 174.916 174.900 0.119 0.000 0.976 316 G CA 0.608 45.772 45.100 0.106 0.000 0.655 316 G HN 1.051 nan 8.290 nan 0.000 0.533 317 K N -2.291 118.057 120.400 -0.088 0.000 2.617 317 K HA 0.634 4.957 4.320 0.004 0.000 0.293 317 K C 1.101 177.357 176.600 -0.574 0.000 1.034 317 K CA -0.094 55.939 56.287 -0.424 0.000 0.884 317 K CB 0.950 33.285 32.500 -0.277 0.000 1.541 317 K HN 1.733 nan 8.250 nan 0.000 0.409 318 G N 0.848 109.137 108.800 -0.852 0.000 2.629 318 G HA2 -0.453 3.509 3.960 0.004 0.000 0.313 318 G HA3 -0.453 3.509 3.960 0.004 0.000 0.313 318 G C 1.105 175.559 174.900 -0.743 0.000 1.217 318 G CA 1.852 46.416 45.100 -0.894 0.000 0.994 318 G HN 1.368 nan 8.290 nan 0.000 0.549 319 A N -0.821 121.330 122.820 -1.115 0.000 2.024 319 A HA 0.060 4.383 4.320 0.004 0.000 0.220 319 A C 1.782 179.269 177.584 -0.162 0.000 1.164 319 A CA 2.572 54.336 52.037 -0.455 0.000 0.643 319 A CB -0.317 18.435 19.000 -0.414 0.000 0.806 319 A HN 0.601 nan 8.150 nan 0.000 0.451 320 D N -0.448 119.845 120.400 -0.179 0.000 2.363 320 D HA 0.354 4.996 4.640 0.004 0.000 0.214 320 D C 0.630 176.985 176.300 0.092 0.000 1.093 320 D CA 0.566 54.587 54.000 0.035 0.000 0.837 320 D CB -0.028 40.745 40.800 -0.045 0.000 0.948 320 D HN 0.423 nan 8.370 nan 0.000 0.507 321 A N 0.881 123.685 122.820 -0.028 0.000 2.498 321 A HA 0.360 4.682 4.320 0.004 0.000 0.239 321 A C 0.191 177.858 177.584 0.139 0.000 1.068 321 A CA 0.282 52.327 52.037 0.014 0.000 0.766 321 A CB 0.156 19.066 19.000 -0.150 0.000 1.003 321 A HN 0.185 nan 8.150 nan 0.000 0.497 322 I N 2.343 123.014 120.570 0.169 0.000 2.468 322 I HA 0.292 4.464 4.170 0.004 0.000 0.285 322 I C 0.426 176.602 176.117 0.098 0.000 1.039 322 I CA -0.222 61.142 61.300 0.107 0.000 1.074 322 I CB 2.289 40.313 38.000 0.042 0.000 1.228 322 I HN 0.787 nan 8.210 nan 0.000 0.436 323 T N 1.304 115.904 114.554 0.076 0.000 3.463 323 T HA -0.014 4.338 4.350 0.004 0.000 0.203 323 T C 1.598 176.255 174.700 -0.072 0.000 0.955 323 T CA 0.812 62.892 62.100 -0.034 0.000 1.230 323 T CB -0.009 68.878 68.868 0.032 0.000 1.392 323 T HN 0.619 nan 8.240 nan 0.000 0.361 324 S N 0.520 116.218 115.700 -0.004 0.000 2.446 324 S HA 0.348 4.821 4.470 0.004 0.000 0.225 324 S C 1.917 176.508 174.600 -0.016 0.000 1.016 324 S CA 1.074 59.269 58.200 -0.008 0.000 0.943 324 S CB -0.155 63.067 63.200 0.038 0.000 0.786 324 S HN 1.058 nan 8.310 nan 0.000 0.508 325 G N 0.526 109.313 108.800 -0.021 0.000 2.195 325 G HA2 -0.185 3.777 3.960 0.004 0.000 0.224 325 G HA3 -0.185 3.777 3.960 0.004 0.000 0.224 325 G C -0.107 174.755 174.900 -0.063 0.000 0.990 325 G CA 0.062 45.133 45.100 -0.049 0.000 0.639 325 G HN 0.494 nan 8.290 nan 0.000 0.514 326 L N 0.344 121.536 121.223 -0.052 0.000 2.379 326 L HA 0.740 5.082 4.340 0.004 0.000 0.269 326 L C 0.394 177.182 176.870 -0.137 0.000 1.084 326 L CA -0.683 54.109 54.840 -0.080 0.000 0.802 326 L CB 1.547 43.577 42.059 -0.049 0.000 1.175 326 L HN 0.098 nan 8.230 nan 0.000 0.448 327 E N 1.847 121.941 120.200 -0.176 0.000 2.873 327 E HA 0.406 4.758 4.350 0.004 0.000 0.232 327 E C -1.710 174.710 176.600 -0.300 0.000 1.123 327 E CA -0.176 56.082 56.400 -0.237 0.000 0.809 327 E CB 0.934 30.516 29.700 -0.197 0.000 1.366 327 E HN 0.208 nan 8.360 nan 0.000 0.400 328 V N 2.528 122.187 119.914 -0.425 0.000 2.588 328 V HA 0.592 4.714 4.120 0.004 0.000 0.304 328 V C -0.352 175.258 176.094 -0.808 0.000 1.042 328 V CA -0.676 61.276 62.300 -0.581 0.000 0.877 328 V CB 2.312 33.740 31.823 -0.658 0.000 0.996 328 V HN 0.520 nan 8.190 nan 0.000 0.425 329 T N 4.315 118.503 114.554 -0.611 0.000 2.840 329 T HA 0.313 4.665 4.350 0.004 0.000 0.287 329 T C 0.417 174.933 174.700 -0.307 0.000 0.991 329 T CA -0.419 61.406 62.100 -0.458 0.000 0.964 329 T CB 1.031 69.829 68.868 -0.117 0.000 0.954 329 T HN 0.720 nan 8.240 nan 0.000 0.438 330 W N 2.435 123.718 121.300 -0.028 0.000 2.494 330 W HA 0.047 4.710 4.660 0.004 0.000 0.286 330 W C 1.405 177.911 176.519 -0.022 0.000 1.218 330 W CA 0.410 57.748 57.345 -0.011 0.000 1.313 330 W CB -0.276 29.235 29.460 0.085 0.000 1.105 330 W HN 0.597 nan 8.180 nan 0.000 0.561 331 T N -3.224 111.435 114.554 0.175 0.000 2.926 331 T HA 0.285 4.637 4.350 0.004 0.000 0.289 331 T C 1.005 175.703 174.700 -0.004 0.000 1.054 331 T CA 0.067 62.200 62.100 0.056 0.000 1.015 331 T CB 2.209 71.059 68.868 -0.029 0.000 1.167 331 T HN -0.055 nan 8.240 nan 0.000 0.526 332 T N -1.672 112.877 114.554 -0.009 0.000 3.085 332 T HA 0.124 4.476 4.350 0.004 0.000 0.263 332 T C 0.986 175.649 174.700 -0.061 0.000 1.127 332 T CA 0.832 62.923 62.100 -0.014 0.000 1.103 332 T CB -0.753 68.121 68.868 0.010 0.000 0.921 332 T HN 1.053 nan 8.240 nan 0.000 0.510 333 T N -1.166 113.324 114.554 -0.108 0.000 3.418 333 T HA 0.479 4.831 4.350 0.004 0.000 0.315 333 T C -2.621 171.949 174.700 -0.217 0.000 1.447 333 T CA -1.414 60.598 62.100 -0.146 0.000 1.641 333 T CB 1.463 70.273 68.868 -0.096 0.000 0.904 333 T HN -0.116 nan 8.240 nan 0.000 0.640 334 P HA -0.052 nan 4.420 nan 0.000 0.223 334 P C 1.383 178.547 177.300 -0.227 0.000 1.144 334 P CA 1.059 63.925 63.100 -0.390 0.000 0.783 334 P CB -0.024 31.101 31.700 -0.958 0.000 0.771 335 T N -5.597 108.815 114.554 -0.236 0.000 3.176 335 T HA 0.275 4.627 4.350 0.004 0.000 0.263 335 T C 0.306 174.990 174.700 -0.026 0.000 1.021 335 T CA -0.302 61.704 62.100 -0.157 0.000 0.905 335 T CB -0.314 68.421 68.868 -0.222 0.000 1.057 335 T HN 0.054 nan 8.240 nan 0.000 0.558 336 Q N 0.480 120.315 119.800 0.059 0.000 2.289 336 Q HA 0.289 4.632 4.340 0.004 0.000 0.270 336 Q C -1.259 174.823 176.000 0.137 0.000 1.038 336 Q CA -0.917 54.969 55.803 0.138 0.000 0.812 336 Q CB 1.980 30.749 28.738 0.052 0.000 1.300 336 Q HN 0.538 nan 8.270 nan 0.000 0.427 337 W N 3.532 124.911 121.300 0.133 0.000 2.314 337 W HA 0.116 4.779 4.660 0.004 0.000 0.339 337 W C -0.509 175.919 176.519 -0.152 0.000 1.293 337 W CA 1.330 58.652 57.345 -0.039 0.000 1.288 337 W CB 0.617 30.202 29.460 0.209 0.000 1.186 337 W HN 0.778 nan 8.180 nan 0.000 0.566 338 S N 4.268 119.266 115.700 -1.170 0.000 2.727 338 S HA 0.336 4.808 4.470 0.004 0.000 0.278 338 S C -0.506 173.337 174.600 -1.261 0.000 1.186 338 S CA -0.849 56.798 58.200 -0.921 0.000 0.836 338 S CB 1.888 64.827 63.200 -0.435 0.000 1.186 338 S HN 0.600 nan 8.310 nan 0.000 0.499 339 H N 0.752 119.621 119.070 -0.335 0.000 2.475 339 H HA 0.388 4.946 4.556 0.004 0.000 0.276 339 H C 0.910 176.243 175.328 0.009 0.000 1.126 339 H CA -0.218 55.770 56.048 -0.101 0.000 1.023 339 H CB -0.165 29.634 29.762 0.061 0.000 1.669 339 H HN 0.690 nan 8.280 nan 0.000 0.573 340 N N 0.408 119.089 118.700 -0.032 0.000 2.457 340 N HA -0.108 4.635 4.740 0.004 0.000 0.180 340 N C 1.567 177.090 175.510 0.021 0.000 1.050 340 N CA 0.083 53.145 53.050 0.020 0.000 0.906 340 N CB 0.111 38.585 38.487 -0.022 0.000 0.968 340 N HN 0.158 nan 8.380 nan 0.000 0.445 341 F N 1.011 120.847 119.950 -0.189 0.000 2.046 341 F HA -0.139 4.390 4.527 0.004 0.000 0.297 341 F C 1.657 177.292 175.800 -0.275 0.000 1.123 341 F CA 1.693 59.511 58.000 -0.302 0.000 1.199 341 F CB -0.601 38.047 39.000 -0.586 0.000 0.972 341 F HN -0.040 nan 8.300 nan 0.000 0.474 342 F N 0.572 120.548 119.950 0.044 0.000 2.234 342 F HA -0.127 4.402 4.527 0.004 0.000 0.299 342 F C 2.353 178.041 175.800 -0.186 0.000 1.087 342 F CA 1.156 59.105 58.000 -0.085 0.000 1.340 342 F CB -0.538 38.530 39.000 0.114 0.000 1.031 342 F HN 0.022 nan 8.300 nan 0.000 0.500 343 E N 0.392 120.680 120.200 0.147 0.000 2.070 343 E HA -0.229 4.124 4.350 0.004 0.000 0.197 343 E C 1.842 178.452 176.600 0.016 0.000 1.004 343 E CA 1.445 57.900 56.400 0.090 0.000 0.805 343 E CB -0.224 29.570 29.700 0.156 0.000 0.744 343 E HN 0.362 nan 8.360 nan 0.000 0.451 344 N N 0.740 119.471 118.700 0.053 0.000 2.106 344 N HA -0.137 4.606 4.740 0.004 0.000 0.188 344 N C 1.879 177.567 175.510 0.296 0.000 1.029 344 N CA 0.593 53.790 53.050 0.245 0.000 0.848 344 N CB -0.462 38.181 38.487 0.259 0.000 1.007 344 N HN 0.057 nan 8.380 nan 0.000 0.423 345 L N 0.089 121.253 121.223 -0.098 0.000 2.013 345 L HA -0.087 4.256 4.340 0.004 0.000 0.212 345 L C 1.640 178.438 176.870 -0.119 0.000 1.073 345 L CA 1.678 56.374 54.840 -0.241 0.000 0.753 345 L CB -0.537 41.079 42.059 -0.738 0.000 0.890 345 L HN 0.096 nan 8.230 nan 0.000 0.432 346 F N -1.777 118.136 119.950 -0.062 0.000 2.698 346 F HA 0.181 4.710 4.527 0.003 0.000 0.295 346 F C 2.171 177.898 175.800 -0.121 0.000 1.124 346 F CA 0.386 58.309 58.000 -0.128 0.000 1.426 346 F CB -0.209 38.604 39.000 -0.311 0.000 1.120 346 F HN 0.148 nan 8.300 nan 0.000 0.583 347 G N -1.329 107.454 108.800 -0.028 0.000 2.838 347 G HA2 0.042 4.005 3.960 0.004 0.000 0.210 347 G HA3 0.042 4.005 3.960 0.004 0.000 0.210 347 G C -0.190 174.381 174.900 -0.547 0.000 1.153 347 G CA 0.250 45.175 45.100 -0.291 0.000 0.778 347 G HN 0.222 nan 8.290 nan 0.000 0.539 348 Y N -0.320 119.892 120.300 -0.147 0.000 2.570 348 Y HA 0.559 5.111 4.550 0.004 0.000 0.345 348 Y C -0.102 175.520 175.900 -0.464 0.000 1.014 348 Y CA -1.361 56.497 58.100 -0.403 0.000 1.063 348 Y CB 1.483 39.462 38.460 -0.800 0.000 1.272 348 Y HN -0.191 nan 8.280 nan 0.000 0.477 349 E N 0.665 120.719 120.200 -0.243 0.000 2.283 349 E HA 0.196 4.548 4.350 0.004 0.000 0.271 349 E C -1.575 174.778 176.600 -0.411 0.000 1.031 349 E CA -0.529 55.768 56.400 -0.170 0.000 0.868 349 E CB 1.104 30.807 29.700 0.005 0.000 1.094 349 E HN 0.547 nan 8.360 nan 0.000 0.401 350 W N 0.616 122.031 121.300 0.192 0.000 2.632 350 W HA 0.360 5.022 4.660 0.004 0.000 0.328 350 W C 0.280 177.020 176.519 0.368 0.000 1.044 350 W CA -0.640 56.854 57.345 0.248 0.000 1.225 350 W CB 1.358 30.931 29.460 0.188 0.000 1.396 350 W HN 0.363 nan 8.180 nan 0.000 0.499 351 E N 2.497 123.032 120.200 0.560 0.000 2.210 351 E HA 0.388 4.741 4.350 0.004 0.000 0.266 351 E C -1.374 175.304 176.600 0.130 0.000 0.883 351 E CA -1.115 55.470 56.400 0.308 0.000 0.761 351 E CB 1.465 31.241 29.700 0.127 0.000 1.156 351 E HN 0.441 nan 8.360 nan 0.000 0.412 352 L N 4.057 125.109 121.223 -0.285 0.000 2.410 352 L HA 0.320 4.662 4.340 0.004 0.000 0.273 352 L C -0.179 176.474 176.870 -0.362 0.000 1.152 352 L CA 1.085 55.437 54.840 -0.812 0.000 0.855 352 L CB 1.108 42.604 42.059 -0.938 0.000 1.129 352 L HN 0.689 nan 8.230 nan 0.000 0.463 353 T N 4.051 118.406 114.554 -0.331 0.000 2.618 353 T HA 0.555 4.907 4.350 0.004 0.000 0.293 353 T C -1.226 173.388 174.700 -0.143 0.000 1.093 353 T CA -0.700 61.301 62.100 -0.165 0.000 1.061 353 T CB 1.034 69.846 68.868 -0.094 0.000 1.498 353 T HN 0.621 nan 8.240 nan 0.000 0.494 354 K N 1.079 121.412 120.400 -0.113 0.000 2.426 354 K HA 0.574 4.896 4.320 0.004 0.000 0.251 354 K C -0.438 176.096 176.600 -0.110 0.000 0.941 354 K CA -0.803 55.410 56.287 -0.124 0.000 0.808 354 K CB 2.050 34.467 32.500 -0.139 0.000 1.265 354 K HN 0.773 nan 8.250 nan 0.000 0.432 355 S N 0.858 116.488 115.700 -0.117 0.000 2.608 355 S HA 0.180 4.652 4.470 0.004 0.000 0.261 355 S C -1.851 172.679 174.600 -0.117 0.000 1.314 355 S CA -0.849 57.282 58.200 -0.116 0.000 0.992 355 S CB 0.634 63.763 63.200 -0.118 0.000 0.935 355 S HN 0.337 nan 8.310 nan 0.000 0.564 356 P HA 0.036 nan 4.420 nan 0.000 0.223 356 P C 0.858 178.067 177.300 -0.152 0.000 1.144 356 P CA 1.444 64.468 63.100 -0.127 0.000 0.783 356 P CB -0.163 31.454 31.700 -0.138 0.000 0.771 357 A N -1.280 121.449 122.820 -0.151 0.000 2.275 357 A HA 0.491 4.813 4.320 0.004 0.000 0.212 357 A C 1.573 179.083 177.584 -0.124 0.000 1.201 357 A CA 0.601 52.553 52.037 -0.142 0.000 0.843 357 A CB -0.939 17.982 19.000 -0.131 0.000 0.873 357 A HN 0.220 nan 8.150 nan 0.000 0.492 358 G N -1.737 106.983 108.800 -0.133 0.000 2.132 358 G HA2 0.115 4.077 3.960 0.004 0.000 0.234 358 G HA3 0.115 4.077 3.960 0.004 0.000 0.234 358 G C 0.322 175.095 174.900 -0.212 0.000 0.989 358 G CA 0.260 45.267 45.100 -0.155 0.000 0.676 358 G HN 1.544 nan 8.290 nan 0.000 0.522 359 A N 0.606 123.319 122.820 -0.180 0.000 2.327 359 A HA 0.659 4.981 4.320 0.004 0.000 0.283 359 A C 0.492 177.961 177.584 -0.192 0.000 1.127 359 A CA -0.536 51.394 52.037 -0.178 0.000 0.810 359 A CB 0.300 19.249 19.000 -0.085 0.000 1.066 359 A HN 0.427 nan 8.150 nan 0.000 0.492 360 H N 1.763 120.789 119.070 -0.072 0.000 2.886 360 H HA 0.255 4.813 4.556 0.004 0.000 0.329 360 H C 0.460 175.727 175.328 -0.102 0.000 1.044 360 H CA 1.053 57.027 56.048 -0.124 0.000 1.456 360 H CB 0.491 30.194 29.762 -0.099 0.000 1.464 360 H HN 0.807 nan 8.280 nan 0.000 0.573 361 Q N 1.812 121.569 119.800 -0.071 0.000 2.814 361 Q HA 0.426 4.768 4.340 0.004 0.000 0.322 361 Q C -1.684 174.197 176.000 -0.198 0.000 0.861 361 Q CA -1.093 54.704 55.803 -0.010 0.000 0.773 361 Q CB 1.735 30.483 28.738 0.016 0.000 1.423 361 Q HN 0.404 nan 8.270 nan 0.000 0.495 362 W N 0.178 121.492 121.300 0.023 0.000 2.936 362 W HA 0.758 5.421 4.660 0.004 0.000 0.338 362 W C -1.154 175.487 176.519 0.204 0.000 1.121 362 W CA -0.714 56.698 57.345 0.112 0.000 1.209 362 W CB 2.221 31.734 29.460 0.087 0.000 1.420 362 W HN 0.523 nan 8.180 nan 0.000 0.516 363 V N 2.021 122.233 119.914 0.497 0.000 2.962 363 V HA 0.855 4.977 4.120 0.004 0.000 0.313 363 V C -0.788 175.430 176.094 0.208 0.000 1.099 363 V CA -1.166 61.330 62.300 0.326 0.000 0.971 363 V CB 1.792 33.675 31.823 0.100 0.000 1.028 363 V HN 0.694 nan 8.190 nan 0.000 0.430 364 A N 5.322 128.034 122.820 -0.181 0.000 2.354 364 A HA 0.474 4.796 4.320 0.004 0.000 0.281 364 A C 0.172 177.512 177.584 -0.405 0.000 1.174 364 A CA -0.279 51.299 52.037 -0.765 0.000 0.828 364 A CB -0.087 18.119 19.000 -1.324 0.000 1.099 364 A HN 0.809 nan 8.150 nan 0.000 0.516 365 K N 1.632 121.852 120.400 -0.299 0.000 2.416 365 K HA 0.308 4.631 4.320 0.004 0.000 0.283 365 K C 1.168 177.711 176.600 -0.095 0.000 1.037 365 K CA 0.985 57.195 56.287 -0.129 0.000 0.995 365 K CB 0.395 32.855 32.500 -0.066 0.000 0.938 365 K HN 1.370 nan 8.250 nan 0.000 0.475 366 G N 1.629 110.389 108.800 -0.066 0.000 2.155 366 G HA2 -0.330 3.633 3.960 0.004 0.000 0.257 366 G HA3 -0.330 3.633 3.960 0.004 0.000 0.257 366 G C 0.239 175.126 174.900 -0.021 0.000 0.983 366 G CA 0.289 45.372 45.100 -0.029 0.000 0.676 366 G HN 0.821 nan 8.290 nan 0.000 0.528 367 A N -0.199 122.565 122.820 -0.094 0.000 2.371 367 A HA 0.572 4.894 4.320 0.004 0.000 0.257 367 A C 0.405 177.951 177.584 -0.063 0.000 1.089 367 A CA 0.030 52.001 52.037 -0.110 0.000 0.794 367 A CB 0.440 19.168 19.000 -0.454 0.000 1.029 367 A HN 0.251 nan 8.150 nan 0.000 0.488 368 D N 0.566 120.958 120.400 -0.013 0.000 2.357 368 D HA 0.403 5.045 4.640 0.004 0.000 0.242 368 D C 0.433 176.714 176.300 -0.032 0.000 1.153 368 D CA 0.671 54.664 54.000 -0.012 0.000 0.918 368 D CB 0.951 41.761 40.800 0.017 0.000 1.181 368 D HN 0.620 nan 8.370 nan 0.000 0.435 369 A N 1.233 124.035 122.820 -0.029 0.000 2.666 369 A HA 0.304 4.627 4.320 0.004 0.000 0.301 369 A C 1.036 178.606 177.584 -0.023 0.000 1.470 369 A CA -0.390 51.626 52.037 -0.035 0.000 1.159 369 A CB -0.628 18.336 19.000 -0.061 0.000 1.116 369 A HN 0.395 nan 8.150 nan 0.000 0.548 370 V N 0.636 120.548 119.914 -0.003 0.000 3.612 370 V HA 0.329 4.452 4.120 0.004 0.000 0.268 370 V C 0.414 176.525 176.094 0.029 0.000 1.365 370 V CA -0.060 62.250 62.300 0.016 0.000 1.044 370 V CB -0.392 31.455 31.823 0.040 0.000 0.820 370 V HN 0.530 nan 8.190 nan 0.000 0.444 371 I N 4.353 124.951 120.570 0.047 0.000 2.371 371 I HA 0.436 4.608 4.170 0.004 0.000 0.290 371 I C -2.287 173.906 176.117 0.128 0.000 1.028 371 I CA -2.393 58.957 61.300 0.084 0.000 1.345 371 I CB 0.865 38.926 38.000 0.101 0.000 1.407 371 I HN 0.151 nan 8.210 nan 0.000 0.501 372 P HA 0.109 nan 4.420 nan 0.000 0.272 372 P C -0.605 176.891 177.300 0.328 0.000 1.230 372 P CA -0.266 62.943 63.100 0.181 0.000 0.788 372 P CB 0.966 32.778 31.700 0.186 0.000 0.949 373 D N 0.030 120.554 120.400 0.207 0.000 2.304 373 D HA 0.324 4.966 4.640 0.004 0.000 0.247 373 D C 1.253 177.486 176.300 -0.111 0.000 1.089 373 D CA -0.378 53.724 54.000 0.171 0.000 0.910 373 D CB 0.751 41.622 40.800 0.119 0.000 1.199 373 D HN 0.278 nan 8.370 nan 0.000 0.426 374 A N 2.446 124.943 122.820 -0.538 0.000 2.119 374 A HA 0.010 4.332 4.320 0.004 0.000 0.217 374 A C 1.084 177.925 177.584 -1.237 0.000 1.153 374 A CA 0.940 52.087 52.037 -1.483 0.000 0.692 374 A CB -0.360 17.780 19.000 -1.433 0.000 0.799 374 A HN 0.654 nan 8.150 nan 0.000 0.458 375 F N -1.976 117.812 119.950 -0.270 0.000 2.815 375 F HA 0.242 4.772 4.527 0.004 0.000 0.328 375 F C 0.086 175.828 175.800 -0.097 0.000 0.982 375 F CA -0.490 57.406 58.000 -0.173 0.000 1.154 375 F CB 0.765 39.664 39.000 -0.168 0.000 0.980 375 F HN 0.016 nan 8.300 nan 0.000 0.603 376 D N 2.320 122.763 120.400 0.070 0.000 2.441 376 D HA 0.252 4.895 4.640 0.004 0.000 0.231 376 D C -1.918 174.387 176.300 0.008 0.000 1.073 376 D CA -2.461 51.563 54.000 0.040 0.000 0.850 376 D CB 1.809 42.633 40.800 0.039 0.000 1.062 376 D HN -0.085 nan 8.370 nan 0.000 0.524 377 P HA -0.114 nan 4.420 nan 0.000 0.228 377 P C 1.003 178.296 177.300 -0.012 0.000 1.151 377 P CA 0.642 63.741 63.100 -0.000 0.000 0.770 377 P CB 0.208 31.910 31.700 0.003 0.000 0.786 378 S N -1.965 113.725 115.700 -0.017 0.000 2.528 378 S HA 0.088 4.560 4.470 0.004 0.000 0.219 378 S C 0.810 175.378 174.600 -0.055 0.000 0.985 378 S CA -0.109 58.075 58.200 -0.028 0.000 0.914 378 S CB -0.414 62.773 63.200 -0.021 0.000 0.776 378 S HN 0.090 nan 8.310 nan 0.000 0.526 379 K N 1.217 121.572 120.400 -0.075 0.000 2.182 379 K HA 0.545 4.867 4.320 0.004 0.000 0.262 379 K C -0.571 175.876 176.600 -0.255 0.000 0.957 379 K CA -0.600 55.587 56.287 -0.166 0.000 0.842 379 K CB 1.468 33.871 32.500 -0.162 0.000 1.099 379 K HN 0.110 nan 8.250 nan 0.000 0.438 380 K N 1.671 121.852 120.400 -0.365 0.000 2.444 380 K HA 0.474 4.797 4.320 0.004 0.000 0.252 380 K C -0.809 175.458 176.600 -0.555 0.000 0.993 380 K CA -1.002 55.067 56.287 -0.364 0.000 0.847 380 K CB 2.016 34.434 32.500 -0.137 0.000 1.340 380 K HN 0.581 nan 8.250 nan 0.000 0.446 381 H N 0.638 119.701 119.070 -0.011 0.000 2.928 381 H HA 0.326 4.884 4.556 0.004 0.000 0.371 381 H C -0.307 174.993 175.328 -0.045 0.000 1.186 381 H CA -0.826 55.205 56.048 -0.029 0.000 1.134 381 H CB 1.690 31.433 29.762 -0.030 0.000 1.824 381 H HN 0.300 nan 8.280 nan 0.000 0.554 382 R N 1.254 121.795 120.500 0.068 0.000 2.641 382 R HA 0.184 4.526 4.340 0.004 0.000 0.269 382 R C -2.309 173.969 176.300 -0.037 0.000 1.074 382 R CA -1.493 54.583 56.100 -0.040 0.000 1.133 382 R CB -0.131 30.120 30.300 -0.081 0.000 1.029 382 R HN 0.276 nan 8.270 nan 0.000 0.488 383 P HA -0.029 nan 4.420 nan 0.000 0.266 383 P C -0.673 176.708 177.300 0.135 0.000 1.195 383 P CA 0.404 63.489 63.100 -0.026 0.000 0.768 383 P CB 0.713 32.315 31.700 -0.163 0.000 0.838 384 T N 0.103 114.740 114.554 0.139 0.000 2.906 384 T HA 0.835 5.187 4.350 0.004 0.000 0.295 384 T C -0.617 174.040 174.700 -0.072 0.000 1.075 384 T CA -0.848 61.327 62.100 0.126 0.000 1.005 384 T CB 1.204 70.037 68.868 -0.059 0.000 1.136 384 T HN 0.102 nan 8.240 nan 0.000 0.498 385 M N 1.530 121.046 119.600 -0.141 0.000 2.569 385 M HA 0.475 4.957 4.480 0.004 0.000 0.279 385 M C -1.117 175.191 176.300 0.013 0.000 1.253 385 M CA -0.740 54.428 55.300 -0.220 0.000 0.867 385 M CB 2.289 34.415 32.600 -0.790 0.000 1.727 385 M HN 0.689 nan 8.290 nan 0.000 0.467 386 L N 0.565 121.865 121.223 0.128 0.000 2.439 386 L HA 0.364 4.706 4.340 0.004 0.000 0.261 386 L C 1.538 178.482 176.870 0.123 0.000 1.153 386 L CA -0.278 54.687 54.840 0.209 0.000 0.808 386 L CB 0.493 42.710 42.059 0.263 0.000 1.126 386 L HN 0.776 nan 8.230 nan 0.000 0.460 387 T N -0.633 114.081 114.554 0.267 0.000 2.653 387 T HA -0.214 4.139 4.350 0.004 0.000 0.268 387 T C 1.762 176.473 174.700 0.018 0.000 1.035 387 T CA 2.272 64.461 62.100 0.149 0.000 1.154 387 T CB -0.318 68.745 68.868 0.324 0.000 0.862 387 T HN 0.932 nan 8.240 nan 0.000 0.441 388 T N 0.403 115.017 114.554 0.101 0.000 2.962 388 T HA -0.086 4.266 4.350 0.004 0.000 0.270 388 T C 1.470 176.194 174.700 0.040 0.000 1.088 388 T CA 1.000 63.152 62.100 0.087 0.000 1.127 388 T CB -0.266 68.689 68.868 0.146 0.000 0.883 388 T HN 0.276 nan 8.240 nan 0.000 0.493 389 D N 1.748 122.188 120.400 0.068 0.000 2.117 389 D HA 0.036 4.678 4.640 0.004 0.000 0.198 389 D C 2.177 178.400 176.300 -0.129 0.000 0.982 389 D CA 0.772 54.808 54.000 0.060 0.000 0.828 389 D CB -0.260 40.638 40.800 0.164 0.000 0.967 389 D HN 0.366 nan 8.370 nan 0.000 0.464 390 L N 1.054 122.122 121.223 -0.259 0.000 2.191 390 L HA -0.132 4.211 4.340 0.004 0.000 0.212 390 L C 2.412 179.253 176.870 -0.049 0.000 1.103 390 L CA 0.591 55.265 54.840 -0.277 0.000 0.769 390 L CB -0.438 41.339 42.059 -0.470 0.000 0.908 390 L HN -0.062 nan 8.230 nan 0.000 0.438 391 S N 0.505 116.194 115.700 -0.017 0.000 2.402 391 S HA -0.168 4.305 4.470 0.004 0.000 0.233 391 S C 1.900 176.560 174.600 0.099 0.000 1.030 391 S CA 1.231 59.480 58.200 0.082 0.000 1.003 391 S CB -0.311 62.947 63.200 0.096 0.000 0.813 391 S HN 0.391 nan 8.310 nan 0.000 0.477 392 L N 0.455 121.654 121.223 -0.039 0.000 2.362 392 L HA 0.028 4.370 4.340 0.004 0.000 0.219 392 L C 2.543 179.375 176.870 -0.063 0.000 1.134 392 L CA 0.912 55.721 54.840 -0.052 0.000 0.807 392 L CB -0.348 41.678 42.059 -0.056 0.000 0.927 392 L HN 0.244 nan 8.230 nan 0.000 0.447 393 R N -0.447 119.903 120.500 -0.249 0.000 2.195 393 R HA 0.049 4.391 4.340 0.004 0.000 0.197 393 R C 1.770 177.810 176.300 -0.433 0.000 0.990 393 R CA 0.518 56.334 56.100 -0.473 0.000 1.048 393 R CB 0.174 29.895 30.300 -0.966 0.000 0.997 393 R HN 0.178 nan 8.270 nan 0.000 0.502 394 F N 0.546 120.485 119.950 -0.018 0.000 2.731 394 F HA 0.197 4.726 4.527 0.004 0.000 0.298 394 F C 0.609 176.411 175.800 0.005 0.000 1.106 394 F CA -0.444 57.548 58.000 -0.014 0.000 1.329 394 F CB 0.452 39.410 39.000 -0.069 0.000 1.100 394 F HN -0.036 nan 8.300 nan 0.000 0.592 395 D N 1.850 122.341 120.400 0.150 0.000 2.312 395 D HA 0.061 4.703 4.640 0.004 0.000 0.252 395 D C -1.980 174.330 176.300 0.017 0.000 1.150 395 D CA -1.640 52.395 54.000 0.058 0.000 0.870 395 D CB 1.872 42.682 40.800 0.016 0.000 1.153 395 D HN -0.013 nan 8.370 nan 0.000 0.457 396 P HA -0.109 nan 4.420 nan 0.000 0.215 396 P C 0.914 178.189 177.300 -0.041 0.000 1.153 396 P CA 1.328 64.420 63.100 -0.014 0.000 0.853 396 P CB 0.210 31.899 31.700 -0.018 0.000 0.788 397 A N -1.668 121.089 122.820 -0.106 0.000 1.897 397 A HA -0.169 4.153 4.320 0.004 0.000 0.215 397 A C 2.146 179.701 177.584 -0.048 0.000 1.181 397 A CA 1.172 53.138 52.037 -0.118 0.000 0.620 397 A CB -1.806 17.076 19.000 -0.197 0.000 0.821 397 A HN 0.188 nan 8.150 nan 0.000 0.443 398 Y N -0.524 119.746 120.300 -0.051 0.000 2.242 398 Y HA -0.182 4.371 4.550 0.004 0.000 0.291 398 Y C 2.657 178.514 175.900 -0.071 0.000 1.137 398 Y CA 0.880 58.939 58.100 -0.069 0.000 1.181 398 Y CB 0.064 38.489 38.460 -0.057 0.000 0.989 398 Y HN 0.373 nan 8.280 nan 0.000 0.527 399 E N 1.391 121.658 120.200 0.111 0.000 2.118 399 E HA -0.211 4.141 4.350 0.004 0.000 0.195 399 E C 1.697 178.311 176.600 0.024 0.000 0.992 399 E CA 1.250 57.703 56.400 0.089 0.000 0.804 399 E CB 0.021 29.756 29.700 0.057 0.000 0.741 399 E HN 0.514 nan 8.360 nan 0.000 0.458 400 K N 0.118 120.499 120.400 -0.032 0.000 2.025 400 K HA -0.098 4.224 4.320 0.004 0.000 0.207 400 K C 2.426 178.925 176.600 -0.169 0.000 1.049 400 K CA 1.313 57.545 56.287 -0.091 0.000 0.933 400 K CB -0.203 32.252 32.500 -0.075 0.000 0.714 400 K HN 0.192 nan 8.250 nan 0.000 0.438 401 I N 1.293 121.741 120.570 -0.203 0.000 2.142 401 I HA -0.288 3.884 4.170 0.004 0.000 0.240 401 I C 2.335 178.066 176.117 -0.643 0.000 1.078 401 I CA 1.200 62.229 61.300 -0.452 0.000 1.343 401 I CB -0.362 37.406 38.000 -0.387 0.000 1.046 401 I HN 0.053 nan 8.210 nan 0.000 0.405 402 S N 0.460 115.941 115.700 -0.366 0.000 2.370 402 S HA -0.156 4.316 4.470 0.004 0.000 0.226 402 S C 2.089 176.477 174.600 -0.352 0.000 1.033 402 S CA 1.126 59.075 58.200 -0.418 0.000 1.011 402 S CB -0.279 62.928 63.200 0.011 0.000 0.852 402 S HN 0.328 nan 8.310 nan 0.000 0.457 403 R N 1.005 121.381 120.500 -0.206 0.000 2.075 403 R HA 0.030 4.372 4.340 0.004 0.000 0.232 403 R C 2.500 178.663 176.300 -0.229 0.000 1.126 403 R CA 1.088 56.989 56.100 -0.331 0.000 0.963 403 R CB -0.550 29.536 30.300 -0.356 0.000 0.858 403 R HN 0.397 nan 8.270 nan 0.000 0.435 404 R N 0.097 120.462 120.500 -0.225 0.000 2.091 404 R HA -0.083 4.260 4.340 0.004 0.000 0.238 404 R C 2.260 178.570 176.300 0.016 0.000 1.136 404 R CA 1.472 57.494 56.100 -0.130 0.000 0.959 404 R CB -0.316 29.888 30.300 -0.159 0.000 0.856 404 R HN 0.194 nan 8.270 nan 0.000 0.437 405 F N -0.793 119.035 119.950 -0.204 0.000 2.186 405 F HA -0.236 4.293 4.527 0.003 0.000 0.299 405 F C 2.649 178.341 175.800 -0.179 0.000 1.090 405 F CA 1.000 58.885 58.000 -0.193 0.000 1.307 405 F CB -0.351 38.380 39.000 -0.449 0.000 1.019 405 F HN 0.332 nan 8.300 nan 0.000 0.489 406 H N 0.710 119.640 119.070 -0.233 0.000 2.353 406 H HA -0.149 4.409 4.556 0.004 0.000 0.300 406 H C 1.711 177.021 175.328 -0.031 0.000 1.090 406 H CA 1.844 57.839 56.048 -0.089 0.000 1.327 406 H CB 0.046 29.756 29.762 -0.087 0.000 1.383 406 H HN 0.328 nan 8.280 nan 0.000 0.508 407 E N -0.079 119.988 120.200 -0.222 0.000 2.216 407 E HA -0.001 4.351 4.350 0.004 0.000 0.192 407 E C 0.025 176.561 176.600 -0.108 0.000 0.988 407 E CA 0.276 56.535 56.400 -0.235 0.000 0.834 407 E CB 0.342 29.933 29.700 -0.181 0.000 0.772 407 E HN 0.427 nan 8.360 nan 0.000 0.479 408 N N 0.938 119.635 118.700 -0.006 0.000 2.790 408 N HA 0.109 4.851 4.740 0.004 0.000 0.256 408 N C -2.373 173.210 175.510 0.121 0.000 1.409 408 N CA -0.978 52.103 53.050 0.052 0.000 0.799 408 N CB 1.435 39.977 38.487 0.092 0.000 1.170 408 N HN -0.016 nan 8.380 nan 0.000 0.507 409 P HA -0.177 nan 4.420 nan 0.000 0.219 409 P C 1.483 178.905 177.300 0.204 0.000 1.146 409 P CA 1.303 64.418 63.100 0.024 0.000 0.808 409 P CB 0.390 31.689 31.700 -0.668 0.000 0.779 410 E N 1.075 121.357 120.200 0.137 0.000 2.153 410 E HA -0.219 4.133 4.350 0.004 0.000 0.194 410 E C 1.764 178.473 176.600 0.182 0.000 0.988 410 E CA 1.316 57.819 56.400 0.171 0.000 0.811 410 E CB -1.126 28.641 29.700 0.111 0.000 0.746 410 E HN 0.364 nan 8.360 nan 0.000 0.466 411 Q N -0.457 119.461 119.800 0.198 0.000 2.119 411 Q HA -0.073 4.269 4.340 0.004 0.000 0.201 411 Q C 2.047 178.127 176.000 0.133 0.000 0.972 411 Q CA 1.299 57.232 55.803 0.217 0.000 0.847 411 Q CB -0.357 28.562 28.738 0.302 0.000 0.903 411 Q HN 0.256 nan 8.270 nan 0.000 0.433 412 F N 1.797 121.661 119.950 -0.144 0.000 2.069 412 F HA -0.213 4.316 4.527 0.003 0.000 0.298 412 F C 2.203 178.014 175.800 0.019 0.000 1.113 412 F CA 1.360 59.047 58.000 -0.522 0.000 1.214 412 F CB -0.961 37.993 39.000 -0.077 0.000 0.978 412 F HN 0.016 nan 8.300 nan 0.000 0.474 413 A N -0.064 122.848 122.820 0.153 0.000 1.884 413 A HA -0.346 3.976 4.320 0.004 0.000 0.219 413 A C 2.023 179.668 177.584 0.102 0.000 1.197 413 A CA 2.498 54.642 52.037 0.178 0.000 0.637 413 A CB -1.497 17.662 19.000 0.265 0.000 0.827 413 A HN 0.544 nan 8.150 nan 0.000 0.450 414 D N -1.043 119.409 120.400 0.087 0.000 2.123 414 D HA 0.076 4.719 4.640 0.004 0.000 0.200 414 D C 2.062 178.417 176.300 0.092 0.000 0.976 414 D CA 1.524 55.571 54.000 0.078 0.000 0.831 414 D CB -0.238 40.620 40.800 0.096 0.000 0.974 414 D HN 0.347 nan 8.370 nan 0.000 0.469 415 A N -0.239 122.643 122.820 0.104 0.000 1.902 415 A HA -0.123 4.199 4.320 0.004 0.000 0.217 415 A C 2.272 179.982 177.584 0.210 0.000 1.181 415 A CA 1.223 53.353 52.037 0.155 0.000 0.623 415 A CB -1.273 17.842 19.000 0.192 0.000 0.818 415 A HN 0.493 nan 8.150 nan 0.000 0.443 416 F N 0.604 120.562 119.950 0.014 0.000 2.113 416 F HA -0.054 4.475 4.527 0.003 0.000 0.297 416 F C 2.565 178.470 175.800 0.176 0.000 1.103 416 F CA 1.146 59.167 58.000 0.035 0.000 1.248 416 F CB -0.117 38.757 39.000 -0.211 0.000 0.999 416 F HN 0.289 nan 8.300 nan 0.000 0.475 417 A N 1.018 123.906 122.820 0.115 0.000 1.883 417 A HA -0.227 4.095 4.320 0.004 0.000 0.217 417 A C 2.192 179.815 177.584 0.065 0.000 1.186 417 A CA 1.901 53.999 52.037 0.101 0.000 0.624 417 A CB -0.829 18.207 19.000 0.060 0.000 0.822 417 A HN 0.470 nan 8.150 nan 0.000 0.444 418 R N -0.661 119.789 120.500 -0.082 0.000 2.073 418 R HA -0.085 4.257 4.340 0.004 0.000 0.234 418 R C 2.459 178.764 176.300 0.007 0.000 1.134 418 R CA 1.320 57.256 56.100 -0.273 0.000 0.952 418 R CB -0.469 29.674 30.300 -0.261 0.000 0.850 418 R HN 0.516 nan 8.270 nan 0.000 0.433 419 A N 0.738 123.613 122.820 0.090 0.000 1.969 419 A HA -0.166 4.156 4.320 0.004 0.000 0.218 419 A C 1.859 179.510 177.584 0.111 0.000 1.169 419 A CA 0.743 52.846 52.037 0.110 0.000 0.635 419 A CB -0.807 18.323 19.000 0.216 0.000 0.810 419 A HN 0.623 nan 8.150 nan 0.000 0.445 420 W N -0.422 120.848 121.300 -0.051 0.000 2.388 420 W HA -0.206 4.457 4.660 0.004 0.000 0.294 420 W C 1.737 178.285 176.519 0.049 0.000 1.212 420 W CA 1.612 58.911 57.345 -0.075 0.000 1.271 420 W CB -0.386 28.873 29.460 -0.334 0.000 1.126 420 W HN 0.405 nan 8.180 nan 0.000 0.535 421 F N 2.212 122.193 119.950 0.051 0.000 2.134 421 F HA -0.172 4.357 4.527 0.003 0.000 0.299 421 F C 2.616 178.392 175.800 -0.039 0.000 1.097 421 F CA 2.669 60.712 58.000 0.071 0.000 1.264 421 F CB -0.751 38.372 39.000 0.204 0.000 1.001 421 F HN -0.211 nan 8.300 nan 0.000 0.479 422 K N 0.248 120.462 120.400 -0.310 0.000 2.025 422 K HA -0.203 4.120 4.320 0.004 0.000 0.207 422 K C 2.196 178.310 176.600 -0.810 0.000 1.049 422 K CA 1.603 57.288 56.287 -1.004 0.000 0.933 422 K CB -0.623 31.228 32.500 -1.083 0.000 0.714 422 K HN 0.348 nan 8.250 nan 0.000 0.438 423 L N 1.591 122.497 121.223 -0.527 0.000 1.997 423 L HA -0.221 4.122 4.340 0.004 0.000 0.216 423 L C 2.215 178.748 176.870 -0.562 0.000 1.074 423 L CA 2.823 57.381 54.840 -0.470 0.000 0.763 423 L CB -1.076 40.760 42.059 -0.372 0.000 0.890 423 L HN 0.501 nan 8.230 nan 0.000 0.434 424 T N -5.164 109.010 114.554 -0.634 0.000 3.100 424 T HA -0.004 4.348 4.350 0.004 0.000 0.253 424 T C 1.071 175.316 174.700 -0.758 0.000 1.118 424 T CA 1.080 62.790 62.100 -0.651 0.000 1.058 424 T CB -0.505 67.938 68.868 -0.708 0.000 0.953 424 T HN 0.575 nan 8.240 nan 0.000 0.515 425 H N 0.198 118.863 119.070 -0.676 0.000 3.058 425 H HA 0.347 4.905 4.556 0.004 0.000 0.266 425 H C 2.141 177.233 175.328 -0.392 0.000 1.135 425 H CA -0.291 55.407 56.048 -0.584 0.000 1.174 425 H CB 0.229 29.539 29.762 -0.754 0.000 1.581 425 H HN 0.356 nan 8.280 nan 0.000 0.553 426 R N 1.017 121.208 120.500 -0.515 0.000 2.200 426 R HA -0.104 4.238 4.340 0.004 0.000 0.234 426 R C 0.211 176.277 176.300 -0.391 0.000 1.127 426 R CA 1.833 57.627 56.100 -0.511 0.000 0.989 426 R CB -0.204 29.620 30.300 -0.792 0.000 0.869 426 R HN 0.310 nan 8.270 nan 0.000 0.459 427 D N -0.135 120.002 120.400 -0.438 0.000 2.363 427 D HA 0.008 4.650 4.640 0.004 0.000 0.214 427 D C 1.530 177.740 176.300 -0.149 0.000 1.093 427 D CA -0.022 53.819 54.000 -0.264 0.000 0.837 427 D CB 0.009 40.665 40.800 -0.239 0.000 0.948 427 D HN 0.243 nan 8.370 nan 0.000 0.507 428 M N 0.368 119.890 119.600 -0.130 0.000 2.506 428 M HA 0.165 4.647 4.480 0.004 0.000 0.260 428 M C 1.033 177.310 176.300 -0.038 0.000 1.104 428 M CA 0.999 56.236 55.300 -0.105 0.000 1.112 428 M CB 0.064 32.570 32.600 -0.156 0.000 1.401 428 M HN 0.305 nan 8.290 nan 0.000 0.473 429 G N 0.655 109.469 108.800 0.024 0.000 2.584 429 G HA2 -0.187 3.776 3.960 0.004 0.000 0.229 429 G HA3 -0.187 3.776 3.960 0.004 0.000 0.229 429 G C -2.821 172.076 174.900 -0.005 0.000 1.320 429 G CA -1.174 43.913 45.100 -0.022 0.000 0.891 429 G HN 0.164 nan 8.290 nan 0.000 0.573 430 P HA 0.256 nan 4.420 nan 0.000 0.266 430 P C 1.039 178.198 177.300 -0.235 0.000 1.195 430 P CA -0.023 63.020 63.100 -0.094 0.000 0.768 430 P CB 0.303 32.033 31.700 0.051 0.000 0.838 431 R N 2.695 122.932 120.500 -0.437 0.000 2.170 431 R HA -0.203 4.139 4.340 0.004 0.000 0.242 431 R C 1.913 178.020 176.300 -0.322 0.000 1.145 431 R CA 1.645 57.296 56.100 -0.748 0.000 0.984 431 R CB -0.908 29.029 30.300 -0.604 0.000 0.869 431 R HN 0.520 nan 8.270 nan 0.000 0.455 432 A N 1.388 124.125 122.820 -0.138 0.000 2.024 432 A HA -0.170 4.152 4.320 0.004 0.000 0.220 432 A C 1.881 179.476 177.584 0.020 0.000 1.164 432 A CA 1.149 53.173 52.037 -0.023 0.000 0.643 432 A CB -0.289 18.741 19.000 0.051 0.000 0.806 432 A HN 0.279 nan 8.150 nan 0.000 0.451 433 R N -1.945 118.551 120.500 -0.006 0.000 2.275 433 R HA 0.041 4.383 4.340 0.004 0.000 0.199 433 R C -0.476 175.896 176.300 0.119 0.000 0.989 433 R CA -0.018 56.083 56.100 0.002 0.000 1.016 433 R CB -0.093 30.105 30.300 -0.170 0.000 0.918 433 R HN 0.477 nan 8.270 nan 0.000 0.473 434 Y N 1.570 121.815 120.300 -0.092 0.000 2.402 434 Y HA 0.198 4.751 4.550 0.004 0.000 0.333 434 Y C 0.498 176.361 175.900 -0.062 0.000 1.076 434 Y CA -0.615 57.437 58.100 -0.079 0.000 1.299 434 Y CB 0.292 38.734 38.460 -0.030 0.000 1.197 434 Y HN -0.119 nan 8.280 nan 0.000 0.517 435 L N 2.431 123.658 121.223 0.007 0.000 2.333 435 L HA 0.899 5.241 4.340 0.004 0.000 0.269 435 L C 0.542 177.542 176.870 0.217 0.000 1.010 435 L CA -0.909 53.976 54.840 0.076 0.000 0.818 435 L CB 1.924 43.998 42.059 0.024 0.000 1.306 435 L HN 0.789 nan 8.230 nan 0.000 0.430 436 G N 1.827 110.793 108.800 0.276 0.000 2.655 436 G HA2 -0.111 3.851 3.960 0.004 0.000 0.680 436 G HA3 -0.111 3.851 3.960 0.004 0.000 0.680 436 G C -2.460 172.542 174.900 0.169 0.000 1.302 436 G CA -0.334 44.944 45.100 0.296 0.000 0.872 436 G HN 0.531 nan 8.290 nan 0.000 0.540 437 P HA 0.189 nan 4.420 nan 0.000 0.249 437 P C 0.683 178.025 177.300 0.069 0.000 1.229 437 P CA 0.860 64.003 63.100 0.071 0.000 0.788 437 P CB 0.361 32.083 31.700 0.036 0.000 1.072 438 E N -0.395 119.882 120.200 0.128 0.000 2.501 438 E HA 0.126 4.478 4.350 0.004 0.000 0.201 438 E C -0.107 176.531 176.600 0.064 0.000 1.016 438 E CA -0.207 56.257 56.400 0.107 0.000 0.920 438 E CB 0.748 30.576 29.700 0.213 0.000 1.023 438 E HN 0.014 nan 8.360 nan 0.000 0.474 439 V N 3.874 123.830 119.914 0.070 0.000 2.529 439 V HA 0.035 4.158 4.120 0.004 0.000 0.292 439 V C -2.037 174.018 176.094 -0.065 0.000 1.028 439 V CA -1.121 61.220 62.300 0.068 0.000 1.074 439 V CB 0.042 31.955 31.823 0.150 0.000 0.958 439 V HN 0.080 nan 8.190 nan 0.000 0.481 440 P HA 0.199 nan 4.420 nan 0.000 0.271 440 P C 0.514 177.694 177.300 -0.199 0.000 1.220 440 P CA -0.105 62.780 63.100 -0.358 0.000 0.768 440 P CB 0.968 32.273 31.700 -0.657 0.000 0.848 441 A N 2.956 125.659 122.820 -0.195 0.000 1.969 441 A HA -0.154 4.168 4.320 0.004 0.000 0.218 441 A C 1.074 178.594 177.584 -0.108 0.000 1.169 441 A CA 0.805 52.766 52.037 -0.126 0.000 0.635 441 A CB -0.831 18.102 19.000 -0.112 0.000 0.810 441 A HN 0.651 nan 8.150 nan 0.000 0.445 442 E N 0.595 120.726 120.200 -0.115 0.000 2.417 442 E HA 0.253 4.605 4.350 0.004 0.000 0.261 442 E C -1.058 175.524 176.600 -0.029 0.000 1.000 442 E CA -0.301 56.078 56.400 -0.034 0.000 0.919 442 E CB 0.471 30.213 29.700 0.070 0.000 0.955 442 E HN 0.150 nan 8.360 nan 0.000 0.455 443 V N 6.721 126.600 119.914 -0.058 0.000 2.432 443 V HA 0.226 4.348 4.120 0.004 0.000 0.275 443 V C 0.292 176.307 176.094 -0.132 0.000 1.043 443 V CA -0.338 61.891 62.300 -0.119 0.000 0.925 443 V CB 0.837 32.588 31.823 -0.120 0.000 0.985 443 V HN 0.568 nan 8.190 nan 0.000 0.466 444 L N 4.394 125.453 121.223 -0.273 0.000 2.334 444 L HA 0.388 4.731 4.340 0.004 0.000 0.273 444 L C 0.962 177.584 176.870 -0.414 0.000 1.013 444 L CA -0.750 53.877 54.840 -0.356 0.000 0.816 444 L CB 1.619 43.303 42.059 -0.626 0.000 1.278 444 L HN 0.471 nan 8.230 nan 0.000 0.431 445 L N 3.047 124.151 121.223 -0.199 0.000 2.079 445 L HA -0.179 4.163 4.340 0.004 0.000 0.210 445 L C 2.051 178.894 176.870 -0.045 0.000 1.081 445 L CA 1.943 56.738 54.840 -0.074 0.000 0.752 445 L CB -0.553 41.535 42.059 0.048 0.000 0.896 445 L HN 0.759 nan 8.230 nan 0.000 0.433 446 W N -1.318 120.008 121.300 0.044 0.000 2.825 446 W HA -0.048 4.614 4.660 0.003 0.000 0.243 446 W C 1.224 177.758 176.519 0.025 0.000 1.293 446 W CA 0.075 57.442 57.345 0.037 0.000 1.403 446 W CB -1.135 28.344 29.460 0.033 0.000 1.134 446 W HN 0.344 nan 8.180 nan 0.000 0.666 447 Q N 0.920 120.500 119.800 -0.367 0.000 2.403 447 Q HA -0.043 4.299 4.340 0.004 0.000 0.203 447 Q C -0.313 175.618 176.000 -0.114 0.000 0.932 447 Q CA 0.305 55.938 55.803 -0.284 0.000 0.945 447 Q CB -0.288 28.120 28.738 -0.549 0.000 1.045 447 Q HN 0.041 nan 8.270 nan 0.000 0.511 448 D N 1.357 121.726 120.400 -0.051 0.000 2.735 448 D HA -0.131 4.511 4.640 0.004 0.000 0.235 448 D C -2.456 173.815 176.300 -0.048 0.000 1.175 448 D CA 0.539 54.530 54.000 -0.015 0.000 0.683 448 D CB -0.707 40.113 40.800 0.033 0.000 1.008 448 D HN 0.301 nan 8.370 nan 0.000 0.416 449 P HA 0.243 nan 4.420 nan 0.000 0.274 449 P C 0.325 177.589 177.300 -0.060 0.000 1.231 449 P CA -0.224 62.816 63.100 -0.099 0.000 0.790 449 P CB 0.962 32.587 31.700 -0.126 0.000 0.951 450 I N 2.900 123.436 120.570 -0.057 0.000 2.465 450 I HA 0.298 4.470 4.170 0.004 0.000 0.291 450 I C -2.058 174.035 176.117 -0.041 0.000 1.014 450 I CA -2.650 58.628 61.300 -0.037 0.000 1.093 450 I CB 1.689 39.675 38.000 -0.024 0.000 1.267 450 I HN 0.165 nan 8.210 nan 0.000 0.431 451 P HA 0.122 nan 4.420 nan 0.000 0.267 451 P C -0.373 176.909 177.300 -0.030 0.000 1.200 451 P CA -0.315 62.769 63.100 -0.026 0.000 0.772 451 P CB 0.500 32.196 31.700 -0.007 0.000 0.855 452 A N 2.609 125.406 122.820 -0.038 0.000 2.498 452 A HA 0.203 4.525 4.320 0.004 0.000 0.239 452 A C 0.173 177.724 177.584 -0.055 0.000 1.068 452 A CA -0.360 51.648 52.037 -0.048 0.000 0.766 452 A CB -0.130 18.841 19.000 -0.048 0.000 1.003 452 A HN 0.404 nan 8.150 nan 0.000 0.497 453 V N 2.882 122.738 119.914 -0.097 0.000 2.521 453 V HA 0.150 4.272 4.120 0.004 0.000 0.286 453 V C 0.382 176.363 176.094 -0.189 0.000 1.034 453 V CA 0.751 62.934 62.300 -0.195 0.000 1.045 453 V CB 0.953 32.611 31.823 -0.275 0.000 0.974 453 V HN 1.017 nan 8.190 nan 0.000 0.480 454 D N 2.264 122.560 120.400 -0.174 0.000 2.599 454 D HA 0.161 4.804 4.640 0.004 0.000 0.249 454 D C -0.023 176.283 176.300 0.010 0.000 1.313 454 D CA -0.285 53.682 54.000 -0.056 0.000 0.815 454 D CB -0.045 40.766 40.800 0.019 0.000 1.077 454 D HN 0.793 nan 8.370 nan 0.000 0.492 455 H N -3.117 115.958 119.070 0.008 0.000 2.985 455 H HA 0.734 5.292 4.556 0.004 0.000 0.360 455 H C -3.012 172.328 175.328 0.019 0.000 1.221 455 H CA -2.144 53.913 56.048 0.014 0.000 1.121 455 H CB -0.050 29.726 29.762 0.022 0.000 1.854 455 H HN -0.333 nan 8.280 nan 0.000 0.551 456 P HA 0.037 nan 4.420 nan 0.000 0.265 456 P C -0.361 177.068 177.300 0.214 0.000 1.193 456 P CA 0.026 63.199 63.100 0.123 0.000 0.765 456 P CB 0.576 32.339 31.700 0.105 0.000 0.823 457 L N 3.403 124.697 121.223 0.119 0.000 2.399 457 L HA 0.357 4.699 4.340 0.004 0.000 0.266 457 L C 1.165 178.133 176.870 0.164 0.000 1.114 457 L CA -1.130 53.799 54.840 0.148 0.000 0.804 457 L CB 0.294 42.388 42.059 0.059 0.000 1.146 457 L HN 0.382 nan 8.230 nan 0.000 0.451 458 I N -1.030 119.659 120.570 0.198 0.000 2.872 458 I HA 0.066 4.238 4.170 0.004 0.000 0.291 458 I C -0.125 176.082 176.117 0.150 0.000 1.216 458 I CA -0.446 60.973 61.300 0.198 0.000 1.424 458 I CB 0.232 38.332 38.000 0.167 0.000 1.351 458 I HN 0.593 nan 8.210 nan 0.000 0.592 459 D N 3.961 124.444 120.400 0.139 0.000 2.588 459 D HA 0.540 5.182 4.640 0.004 0.000 0.268 459 D C 0.910 177.273 176.300 0.106 0.000 1.176 459 D CA -0.303 53.761 54.000 0.106 0.000 1.080 459 D CB 0.947 41.797 40.800 0.084 0.000 1.186 459 D HN 0.596 nan 8.370 nan 0.000 0.619 460 A N -0.227 122.644 122.820 0.085 0.000 1.940 460 A HA 0.022 4.344 4.320 0.004 0.000 0.219 460 A C 2.145 179.769 177.584 0.066 0.000 1.176 460 A CA 2.595 54.679 52.037 0.078 0.000 0.631 460 A CB -1.460 17.577 19.000 0.062 0.000 0.814 460 A HN 0.672 nan 8.150 nan 0.000 0.446 461 A N 0.062 122.922 122.820 0.067 0.000 1.902 461 A HA -0.179 4.143 4.320 0.004 0.000 0.217 461 A C 1.780 179.415 177.584 0.084 0.000 1.181 461 A CA 1.824 53.901 52.037 0.066 0.000 0.623 461 A CB -0.571 18.468 19.000 0.065 0.000 0.818 461 A HN 0.477 nan 8.150 nan 0.000 0.443 462 D N 0.252 120.724 120.400 0.120 0.000 2.117 462 D HA -0.087 4.555 4.640 0.004 0.000 0.197 462 D C 2.248 178.553 176.300 0.009 0.000 0.987 462 D CA 1.589 55.688 54.000 0.165 0.000 0.829 462 D CB -0.524 40.432 40.800 0.261 0.000 0.961 462 D HN 0.426 nan 8.370 nan 0.000 0.460 463 A N 1.235 124.054 122.820 -0.002 0.000 1.902 463 A HA -0.081 4.241 4.320 0.004 0.000 0.217 463 A C 2.354 179.889 177.584 -0.082 0.000 1.181 463 A CA 2.397 54.386 52.037 -0.081 0.000 0.623 463 A CB -0.776 18.224 19.000 0.001 0.000 0.818 463 A HN 0.245 nan 8.150 nan 0.000 0.443 464 A N -0.463 122.346 122.820 -0.019 0.000 1.933 464 A HA -0.201 4.121 4.320 0.004 0.000 0.218 464 A C 2.066 179.639 177.584 -0.017 0.000 1.175 464 A CA 1.858 53.887 52.037 -0.013 0.000 0.628 464 A CB -0.527 18.481 19.000 0.013 0.000 0.814 464 A HN 0.699 nan 8.150 nan 0.000 0.444 465 E N -0.124 120.079 120.200 0.005 0.000 2.028 465 E HA -0.161 4.192 4.350 0.004 0.000 0.191 465 E C 1.988 178.575 176.600 -0.021 0.000 0.988 465 E CA 1.154 57.570 56.400 0.027 0.000 0.799 465 E CB -0.228 29.539 29.700 0.112 0.000 0.755 465 E HN 0.606 nan 8.360 nan 0.000 0.447 466 L N 0.756 121.916 121.223 -0.106 0.000 2.042 466 L HA -0.212 4.131 4.340 0.004 0.000 0.210 466 L C 2.694 179.480 176.870 -0.140 0.000 1.076 466 L CA 1.423 56.148 54.840 -0.191 0.000 0.749 466 L CB -0.322 41.503 42.059 -0.389 0.000 0.893 466 L HN 0.085 nan 8.230 nan 0.000 0.432 467 K N -0.147 120.174 120.400 -0.133 0.000 2.057 467 K HA -0.154 4.168 4.320 0.004 0.000 0.207 467 K C 2.223 178.786 176.600 -0.062 0.000 1.049 467 K CA 1.374 57.598 56.287 -0.104 0.000 0.931 467 K CB -0.262 32.181 32.500 -0.095 0.000 0.714 467 K HN 0.305 nan 8.250 nan 0.000 0.440 468 A N 1.790 124.584 122.820 -0.043 0.000 1.930 468 A HA -0.177 4.145 4.320 0.004 0.000 0.217 468 A C 1.904 179.477 177.584 -0.019 0.000 1.175 468 A CA 1.450 53.474 52.037 -0.022 0.000 0.627 468 A CB -0.234 18.761 19.000 -0.008 0.000 0.815 468 A HN 0.182 nan 8.150 nan 0.000 0.443 469 K N -0.482 119.905 120.400 -0.021 0.000 2.057 469 K HA -0.043 4.280 4.320 0.004 0.000 0.206 469 K C 1.855 178.441 176.600 -0.023 0.000 1.050 469 K CA 1.261 57.541 56.287 -0.013 0.000 0.935 469 K CB -0.325 32.174 32.500 -0.001 0.000 0.715 469 K HN 0.276 nan 8.250 nan 0.000 0.439 470 V N 1.853 121.742 119.914 -0.041 0.000 2.287 470 V HA -0.259 3.863 4.120 0.004 0.000 0.248 470 V C 2.146 178.223 176.094 -0.027 0.000 1.053 470 V CA 1.719 63.995 62.300 -0.040 0.000 1.027 470 V CB -0.380 31.408 31.823 -0.059 0.000 0.646 470 V HN 0.293 nan 8.190 nan 0.000 0.447 471 L N -0.145 121.062 121.223 -0.027 0.000 2.217 471 L HA -0.055 4.288 4.340 0.004 0.000 0.211 471 L C 2.522 179.384 176.870 -0.013 0.000 1.107 471 L CA 1.199 56.027 54.840 -0.020 0.000 0.783 471 L CB -0.634 41.412 42.059 -0.021 0.000 0.919 471 L HN 0.353 nan 8.230 nan 0.000 0.442 472 A N -0.190 122.624 122.820 -0.011 0.000 2.119 472 A HA -0.110 4.212 4.320 0.004 0.000 0.216 472 A C 2.440 180.022 177.584 -0.004 0.000 1.152 472 A CA 1.224 53.258 52.037 -0.005 0.000 0.708 472 A CB -0.387 18.612 19.000 -0.002 0.000 0.805 472 A HN 0.478 nan 8.150 nan 0.000 0.460 473 S N -1.753 113.944 115.700 -0.005 0.000 2.481 473 S HA 0.284 4.756 4.470 0.004 0.000 0.231 473 S C 1.592 176.190 174.600 -0.002 0.000 0.996 473 S CA 1.295 59.493 58.200 -0.003 0.000 0.942 473 S CB -0.351 62.846 63.200 -0.005 0.000 0.768 473 S HN 1.815 nan 8.310 nan 0.000 0.520 474 G N 0.586 109.384 108.800 -0.004 0.000 2.194 474 G HA2 -0.214 3.748 3.960 0.004 0.000 0.236 474 G HA3 -0.214 3.748 3.960 0.004 0.000 0.236 474 G C -0.014 174.885 174.900 -0.002 0.000 0.987 474 G CA 0.003 45.101 45.100 -0.002 0.000 0.635 474 G HN 0.529 nan 8.290 nan 0.000 0.520 475 L N 2.482 123.704 121.223 -0.003 0.000 2.525 475 L HA 0.383 4.725 4.340 0.004 0.000 0.278 475 L C 1.649 178.516 176.870 -0.004 0.000 1.218 475 L CA 0.717 55.556 54.840 -0.001 0.000 0.878 475 L CB 0.506 42.564 42.059 -0.001 0.000 1.127 475 L HN 0.459 nan 8.230 nan 0.000 0.492 476 T N -0.534 114.019 114.554 -0.002 0.000 2.874 476 T HA 0.247 4.600 4.350 0.004 0.000 0.281 476 T C 1.375 176.068 174.700 -0.012 0.000 0.994 476 T CA -0.983 61.113 62.100 -0.007 0.000 1.015 476 T CB 1.525 70.391 68.868 -0.004 0.000 1.028 476 T HN 0.248 nan 8.240 nan 0.000 0.523 477 V N 1.614 121.514 119.914 -0.024 0.000 2.250 477 V HA -0.246 3.876 4.120 0.004 0.000 0.253 477 V C 3.041 179.115 176.094 -0.033 0.000 1.065 477 V CA 2.689 64.963 62.300 -0.043 0.000 1.039 477 V CB -1.375 30.411 31.823 -0.061 0.000 0.647 477 V HN 1.139 nan 8.190 nan 0.000 0.446 478 S N -0.979 114.707 115.700 -0.023 0.000 2.359 478 S HA -0.344 4.128 4.470 0.004 0.000 0.223 478 S C 2.043 176.656 174.600 0.022 0.000 1.039 478 S CA 2.429 60.624 58.200 -0.008 0.000 1.042 478 S CB -0.340 62.856 63.200 -0.007 0.000 0.915 478 S HN 0.728 nan 8.310 nan 0.000 0.439 479 Q N 0.087 119.901 119.800 0.023 0.000 2.084 479 Q HA -0.023 4.320 4.340 0.004 0.000 0.202 479 Q C 2.387 178.422 176.000 0.058 0.000 0.978 479 Q CA 1.656 57.482 55.803 0.038 0.000 0.844 479 Q CB -0.266 28.487 28.738 0.025 0.000 0.898 479 Q HN 0.548 nan 8.270 nan 0.000 0.426 480 L N -0.450 120.801 121.223 0.046 0.000 2.023 480 L HA -0.147 4.195 4.340 0.004 0.000 0.205 480 L C 2.346 179.295 176.870 0.130 0.000 1.073 480 L CA 0.686 55.564 54.840 0.064 0.000 0.745 480 L CB -0.425 41.649 42.059 0.025 0.000 0.900 480 L HN 0.078 nan 8.230 nan 0.000 0.435 481 V N -0.749 119.221 119.914 0.094 0.000 2.295 481 V HA -0.264 3.858 4.120 0.004 0.000 0.246 481 V C 2.588 178.882 176.094 0.334 0.000 1.049 481 V CA 2.034 64.435 62.300 0.169 0.000 1.024 481 V CB -0.437 31.357 31.823 -0.047 0.000 0.648 481 V HN 0.375 nan 8.190 nan 0.000 0.447 482 S N -0.086 115.742 115.700 0.213 0.000 2.368 482 S HA -0.207 4.265 4.470 0.004 0.000 0.225 482 S C 2.075 176.836 174.600 0.268 0.000 1.030 482 S CA 1.994 60.340 58.200 0.244 0.000 0.999 482 S CB -0.477 62.809 63.200 0.144 0.000 0.844 482 S HN 0.710 nan 8.310 nan 0.000 0.459 483 T N 2.373 117.043 114.554 0.193 0.000 2.777 483 T HA -0.002 4.350 4.350 0.004 0.000 0.266 483 T C 2.160 176.951 174.700 0.152 0.000 1.040 483 T CA 1.225 63.410 62.100 0.142 0.000 1.141 483 T CB -0.486 68.436 68.868 0.091 0.000 0.868 483 T HN 0.466 nan 8.240 nan 0.000 0.444 484 A N 1.164 124.121 122.820 0.228 0.000 1.930 484 A HA -0.054 4.268 4.320 0.004 0.000 0.217 484 A C 2.138 179.787 177.584 0.108 0.000 1.175 484 A CA 1.027 53.178 52.037 0.189 0.000 0.627 484 A CB -1.013 18.200 19.000 0.356 0.000 0.815 484 A HN 0.747 nan 8.150 nan 0.000 0.443 485 W N 0.929 122.307 121.300 0.130 0.000 2.355 485 W HA -0.192 4.470 4.660 0.003 0.000 0.309 485 W C 2.209 178.741 176.519 0.023 0.000 1.206 485 W CA 2.013 59.383 57.345 0.041 0.000 1.284 485 W CB -0.363 29.218 29.460 0.202 0.000 1.145 485 W HN 0.413 nan 8.180 nan 0.000 0.502 486 A N 1.219 124.077 122.820 0.064 0.000 1.883 486 A HA -0.138 4.184 4.320 0.004 0.000 0.217 486 A C 2.191 179.705 177.584 -0.118 0.000 1.186 486 A CA 2.949 54.974 52.037 -0.020 0.000 0.624 486 A CB -1.388 17.671 19.000 0.099 0.000 0.822 486 A HN 0.363 nan 8.150 nan 0.000 0.444 487 A N -0.439 122.324 122.820 -0.095 0.000 1.877 487 A HA 0.182 4.505 4.320 0.004 0.000 0.216 487 A C 2.481 179.962 177.584 -0.172 0.000 1.186 487 A CA 2.199 54.172 52.037 -0.106 0.000 0.620 487 A CB -0.914 18.044 19.000 -0.070 0.000 0.822 487 A HN 1.061 nan 8.150 nan 0.000 0.443 488 A N -0.079 122.569 122.820 -0.286 0.000 1.935 488 A HA 0.060 4.383 4.320 0.004 0.000 0.214 488 A C 2.277 179.609 177.584 -0.419 0.000 1.178 488 A CA 1.689 53.515 52.037 -0.352 0.000 0.640 488 A CB -0.722 18.000 19.000 -0.464 0.000 0.825 488 A HN 0.957 nan 8.150 nan 0.000 0.447 489 S N 0.123 115.410 115.700 -0.688 0.000 2.607 489 S HA -0.068 4.404 4.470 0.004 0.000 0.224 489 S C 1.495 175.908 174.600 -0.313 0.000 0.969 489 S CA 1.205 58.941 58.200 -0.774 0.000 0.927 489 S CB -1.105 61.120 63.200 -1.624 0.000 0.772 489 S HN 0.690 nan 8.310 nan 0.000 0.533 490 T N -1.382 113.084 114.554 -0.147 0.000 3.072 490 T HA 0.124 4.476 4.350 0.004 0.000 0.266 490 T C 0.316 175.034 174.700 0.031 0.000 1.127 490 T CA -0.280 61.828 62.100 0.013 0.000 1.107 490 T CB -0.844 68.084 68.868 0.100 0.000 0.910 490 T HN 0.382 nan 8.240 nan 0.000 0.513 491 F N 4.334 124.216 119.950 -0.115 0.000 2.572 491 F HA 0.291 4.819 4.527 0.003 0.000 0.370 491 F C 0.752 176.525 175.800 -0.044 0.000 1.103 491 F CA -0.913 57.044 58.000 -0.071 0.000 1.286 491 F CB 0.559 39.493 39.000 -0.111 0.000 1.105 491 F HN 0.179 nan 8.300 nan 0.000 0.583 492 R N 4.288 124.280 120.500 -0.847 0.000 2.532 492 R HA 0.478 4.821 4.340 0.004 0.000 0.297 492 R C 0.287 176.043 176.300 -0.906 0.000 0.984 492 R CA -0.462 55.287 56.100 -0.585 0.000 0.884 492 R CB 1.178 31.311 30.300 -0.278 0.000 1.182 492 R HN 0.756 nan 8.270 nan 0.000 0.442 493 G N 1.262 109.848 108.800 -0.356 0.000 2.534 493 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 493 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 493 G C 1.247 176.101 174.900 -0.076 0.000 1.128 493 G CA 0.698 45.762 45.100 -0.059 0.000 0.784 493 G HN 0.761 nan 8.290 nan 0.000 0.542 494 S N 1.753 117.389 115.700 -0.107 0.000 2.359 494 S HA -0.202 4.270 4.470 0.004 0.000 0.223 494 S C 1.646 176.221 174.600 -0.042 0.000 1.039 494 S CA 1.905 60.064 58.200 -0.068 0.000 1.042 494 S CB -0.253 62.900 63.200 -0.079 0.000 0.915 494 S HN 0.502 nan 8.310 nan 0.000 0.439 495 D N -0.732 119.631 120.400 -0.063 0.000 2.503 495 D HA 0.233 4.876 4.640 0.004 0.000 0.218 495 D C 0.070 176.320 176.300 -0.083 0.000 1.183 495 D CA -0.261 53.730 54.000 -0.014 0.000 0.827 495 D CB -0.383 40.511 40.800 0.157 0.000 1.034 495 D HN 0.329 nan 8.370 nan 0.000 0.510 496 K N 0.045 120.323 120.400 -0.203 0.000 3.088 496 K HA -0.218 4.104 4.320 0.004 0.000 0.273 496 K C -0.233 176.307 176.600 -0.099 0.000 1.111 496 K CA 0.633 56.814 56.287 -0.176 0.000 0.803 496 K CB -1.382 31.125 32.500 0.011 0.000 1.226 496 K HN 0.336 nan 8.250 nan 0.000 0.485 497 R N 0.092 120.477 120.500 -0.191 0.000 2.532 497 R HA 0.614 4.956 4.340 0.004 0.000 0.272 497 R C 0.987 177.239 176.300 -0.080 0.000 1.032 497 R CA 0.017 56.086 56.100 -0.052 0.000 1.089 497 R CB 1.235 31.535 30.300 -0.000 0.000 1.098 497 R HN 0.330 nan 8.270 nan 0.000 0.526 498 G N -0.208 108.629 108.800 0.063 0.000 2.698 498 G HA2 0.199 4.161 3.960 0.004 0.000 0.225 498 G HA3 0.199 4.161 3.960 0.004 0.000 0.225 498 G C -0.021 175.012 174.900 0.221 0.000 1.345 498 G CA -0.425 44.736 45.100 0.102 0.000 0.871 498 G HN 1.152 nan 8.290 nan 0.000 0.540 499 G N -2.692 106.199 108.800 0.152 0.000 2.592 499 G HA2 0.464 4.426 3.960 0.004 0.000 0.684 499 G HA3 0.464 4.426 3.960 0.004 0.000 0.684 499 G C 0.985 175.872 174.900 -0.022 0.000 1.291 499 G CA 1.018 46.158 45.100 0.067 0.000 0.891 499 G HN 2.456 nan 8.290 nan 0.000 0.544 500 A N -0.210 122.557 122.820 -0.087 0.000 2.067 500 A HA 0.265 4.588 4.320 0.004 0.000 0.217 500 A C 1.315 178.867 177.584 -0.053 0.000 1.156 500 A CA 1.587 53.572 52.037 -0.085 0.000 0.683 500 A CB -0.322 18.608 19.000 -0.117 0.000 0.808 500 A HN 1.173 nan 8.150 nan 0.000 0.455 501 N N -0.061 118.611 118.700 -0.047 0.000 2.458 501 N HA 0.308 5.050 4.740 0.004 0.000 0.258 501 N C 1.110 176.612 175.510 -0.013 0.000 1.219 501 N CA 1.577 54.610 53.050 -0.028 0.000 0.902 501 N CB 0.526 38.999 38.487 -0.024 0.000 1.076 501 N HN 0.592 nan 8.380 nan 0.000 0.455 502 G N 2.175 110.968 108.800 -0.012 0.000 2.232 502 G HA2 -0.136 3.827 3.960 0.004 0.000 0.226 502 G HA3 -0.136 3.827 3.960 0.004 0.000 0.226 502 G C 0.415 175.303 174.900 -0.019 0.000 0.996 502 G CA 0.325 45.418 45.100 -0.013 0.000 0.626 502 G HN 1.610 nan 8.290 nan 0.000 0.509 503 A N -0.510 122.296 122.820 -0.023 0.000 2.596 503 A HA -0.264 4.058 4.320 0.004 0.000 0.300 503 A C 1.540 179.094 177.584 -0.050 0.000 1.495 503 A CA 2.260 54.278 52.037 -0.032 0.000 0.769 503 A CB -1.550 17.439 19.000 -0.020 0.000 1.047 503 A HN 0.985 nan 8.150 nan 0.000 0.436 504 R N -0.729 119.734 120.500 -0.062 0.000 2.280 504 R HA 0.101 4.443 4.340 0.004 0.000 0.207 504 R C 1.932 178.142 176.300 -0.149 0.000 1.043 504 R CA 1.083 57.128 56.100 -0.091 0.000 1.006 504 R CB -0.180 30.072 30.300 -0.079 0.000 0.885 504 R HN 0.819 nan 8.270 nan 0.000 0.467 505 I N 1.943 122.432 120.570 -0.135 0.000 2.567 505 I HA -0.270 3.902 4.170 0.004 0.000 0.257 505 I C 2.314 178.347 176.117 -0.141 0.000 1.184 505 I CA 1.229 62.432 61.300 -0.161 0.000 1.451 505 I CB 0.019 37.959 38.000 -0.101 0.000 1.089 505 I HN 0.126 nan 8.210 nan 0.000 0.441 506 R N 0.252 120.691 120.500 -0.101 0.000 2.297 506 R HA 0.130 4.472 4.340 0.004 0.000 0.197 506 R C 0.320 176.568 176.300 -0.086 0.000 0.943 506 R CA 0.070 56.124 56.100 -0.078 0.000 1.038 506 R CB -0.119 30.151 30.300 -0.050 0.000 0.957 506 R HN 0.279 nan 8.270 nan 0.000 0.484 507 L N 0.878 122.034 121.223 -0.112 0.000 2.331 507 L HA 0.568 4.910 4.340 0.004 0.000 0.268 507 L C 0.219 177.003 176.870 -0.144 0.000 1.015 507 L CA -1.392 53.387 54.840 -0.102 0.000 0.807 507 L CB 1.384 43.392 42.059 -0.086 0.000 1.293 507 L HN 0.028 nan 8.230 nan 0.000 0.451 508 A N 1.565 124.320 122.820 -0.108 0.000 2.462 508 A HA 0.328 4.650 4.320 0.004 0.000 0.243 508 A C -1.796 175.706 177.584 -0.137 0.000 1.076 508 A CA -0.788 51.178 52.037 -0.118 0.000 0.773 508 A CB -0.165 18.804 19.000 -0.052 0.000 1.010 508 A HN 0.606 nan 8.150 nan 0.000 0.493 509 P HA 0.010 nan 4.420 nan 0.000 0.257 509 P C 0.783 177.630 177.300 -0.756 0.000 1.241 509 P CA 0.482 63.437 63.100 -0.241 0.000 0.816 509 P CB 0.362 32.077 31.700 0.023 0.000 1.150 510 Q N 1.330 120.539 119.800 -0.986 0.000 2.135 510 Q HA -0.164 4.178 4.340 0.004 0.000 0.204 510 Q C 2.129 177.706 176.000 -0.706 0.000 0.981 510 Q CA 1.672 56.615 55.803 -1.434 0.000 0.856 510 Q CB -0.454 27.717 28.738 -0.945 0.000 0.902 510 Q HN 0.451 nan 8.270 nan 0.000 0.425 511 K N 0.268 120.432 120.400 -0.393 0.000 2.360 511 K HA -0.137 4.185 4.320 0.004 0.000 0.201 511 K C 0.479 177.005 176.600 -0.123 0.000 1.046 511 K CA 1.494 57.663 56.287 -0.197 0.000 0.945 511 K CB 0.218 32.640 32.500 -0.130 0.000 0.750 511 K HN 0.110 nan 8.250 nan 0.000 0.464 512 D N -0.261 120.052 120.400 -0.145 0.000 2.379 512 D HA 0.007 4.649 4.640 0.004 0.000 0.208 512 D C -0.201 176.189 176.300 0.150 0.000 1.065 512 D CA -0.063 53.938 54.000 0.001 0.000 0.848 512 D CB 0.088 40.900 40.800 0.019 0.000 0.949 512 D HN 0.160 nan 8.370 nan 0.000 0.509 513 W N 2.719 124.027 121.300 0.013 0.000 2.264 513 W HA 0.074 4.741 4.660 0.011 0.000 0.331 513 W C 1.814 178.328 176.519 -0.008 0.000 1.364 513 W CA -0.888 56.465 57.345 0.014 0.000 1.253 513 W CB 0.240 29.704 29.460 0.007 0.000 1.215 513 W HN 0.098 nan 8.180 nan 0.000 0.561 514 E N 2.708 123.042 120.200 0.224 0.000 2.097 514 E HA -0.257 4.095 4.350 0.004 0.000 0.196 514 E C 2.029 178.592 176.600 -0.062 0.000 1.000 514 E CA 2.065 58.530 56.400 0.108 0.000 0.804 514 E CB 0.095 29.895 29.700 0.166 0.000 0.740 514 E HN 0.489 nan 8.360 nan 0.000 0.454 515 A N 1.053 123.725 122.820 -0.247 0.000 1.978 515 A HA -0.201 4.121 4.320 0.004 0.000 0.220 515 A C 1.775 179.266 177.584 -0.155 0.000 1.170 515 A CA 1.727 53.412 52.037 -0.587 0.000 0.636 515 A CB -0.475 18.187 19.000 -0.564 0.000 0.810 515 A HN 0.287 nan 8.150 nan 0.000 0.448 516 N N -0.197 118.527 118.700 0.039 0.000 2.398 516 N HA 0.043 4.786 4.740 0.004 0.000 0.188 516 N C -0.519 175.018 175.510 0.045 0.000 1.122 516 N CA 0.504 53.600 53.050 0.077 0.000 0.866 516 N CB -0.110 38.447 38.487 0.116 0.000 0.970 516 N HN 0.590 nan 8.380 nan 0.000 0.462 517 Q N -1.157 118.661 119.800 0.029 0.000 2.457 517 Q HA -0.140 4.202 4.340 0.004 0.000 0.333 517 Q C -1.895 174.124 176.000 0.032 0.000 1.448 517 Q CA -0.167 55.653 55.803 0.029 0.000 0.891 517 Q CB -1.407 27.347 28.738 0.026 0.000 1.142 517 Q HN 0.259 nan 8.270 nan 0.000 0.375 518 P HA -0.266 nan 4.420 nan 0.000 0.218 518 P C 1.144 178.454 177.300 0.017 0.000 1.154 518 P CA 1.529 64.643 63.100 0.024 0.000 0.872 518 P CB 0.163 31.882 31.700 0.031 0.000 0.790 519 E N -0.209 120.004 120.200 0.022 0.000 2.028 519 E HA -0.231 4.121 4.350 0.004 0.000 0.191 519 E C 2.168 178.778 176.600 0.017 0.000 0.988 519 E CA 1.336 57.747 56.400 0.019 0.000 0.799 519 E CB -1.041 28.672 29.700 0.021 0.000 0.755 519 E HN 0.453 nan 8.360 nan 0.000 0.447 520 Q N 1.117 120.929 119.800 0.020 0.000 2.030 520 Q HA -0.182 4.160 4.340 0.004 0.000 0.204 520 Q C 2.340 178.351 176.000 0.020 0.000 0.986 520 Q CA 1.581 57.396 55.803 0.021 0.000 0.843 520 Q CB -0.447 28.307 28.738 0.026 0.000 0.904 520 Q HN 0.197 nan 8.270 nan 0.000 0.420 521 L N 0.901 122.136 121.223 0.020 0.000 1.997 521 L HA -0.215 4.127 4.340 0.004 0.000 0.216 521 L C 2.397 179.270 176.870 0.005 0.000 1.074 521 L CA 2.621 57.470 54.840 0.015 0.000 0.763 521 L CB -1.170 40.894 42.059 0.008 0.000 0.890 521 L HN 0.399 nan 8.230 nan 0.000 0.434 522 A N -0.708 122.113 122.820 0.003 0.000 1.908 522 A HA -0.133 4.189 4.320 0.004 0.000 0.218 522 A C 2.457 180.043 177.584 0.002 0.000 1.181 522 A CA 2.112 54.148 52.037 -0.001 0.000 0.627 522 A CB -1.257 17.743 19.000 -0.000 0.000 0.818 522 A HN 0.650 nan 8.150 nan 0.000 0.445 523 A N -0.505 122.319 122.820 0.006 0.000 1.858 523 A HA -0.035 4.287 4.320 0.004 0.000 0.216 523 A C 2.253 179.841 177.584 0.007 0.000 1.190 523 A CA 1.953 53.994 52.037 0.007 0.000 0.617 523 A CB -1.074 17.931 19.000 0.010 0.000 0.827 523 A HN 0.439 nan 8.150 nan 0.000 0.443 524 V N 0.255 120.174 119.914 0.010 0.000 2.295 524 V HA -0.273 3.850 4.120 0.004 0.000 0.246 524 V C 2.571 178.668 176.094 0.004 0.000 1.049 524 V CA 2.022 64.329 62.300 0.010 0.000 1.024 524 V CB -0.891 30.943 31.823 0.019 0.000 0.648 524 V HN 0.565 nan 8.190 nan 0.000 0.447 525 L N -0.183 121.041 121.223 0.002 0.000 2.131 525 L HA -0.205 4.137 4.340 0.004 0.000 0.210 525 L C 2.588 179.456 176.870 -0.004 0.000 1.092 525 L CA 1.876 56.713 54.840 -0.004 0.000 0.759 525 L CB -0.573 41.480 42.059 -0.010 0.000 0.903 525 L HN 0.452 nan 8.230 nan 0.000 0.435 526 E N -0.283 119.916 120.200 -0.002 0.000 2.106 526 E HA -0.173 4.179 4.350 0.004 0.000 0.192 526 E C 1.926 178.526 176.600 -0.000 0.000 0.984 526 E CA 1.556 57.955 56.400 -0.001 0.000 0.806 526 E CB 0.188 29.888 29.700 0.000 0.000 0.750 526 E HN 0.401 nan 8.360 nan 0.000 0.458 527 T N 1.185 115.739 114.554 -0.000 0.000 2.809 527 T HA -0.036 4.316 4.350 0.004 0.000 0.260 527 T C 1.892 176.590 174.700 -0.004 0.000 1.039 527 T CA 0.673 62.773 62.100 -0.000 0.000 1.141 527 T CB -0.098 68.770 68.868 0.000 0.000 0.869 527 T HN 0.131 nan 8.240 nan 0.000 0.437 528 L N 0.839 122.058 121.223 -0.007 0.000 2.046 528 L HA -0.103 4.240 4.340 0.004 0.000 0.208 528 L C 2.803 179.666 176.870 -0.011 0.000 1.077 528 L CA 1.353 56.184 54.840 -0.015 0.000 0.747 528 L CB -0.480 41.569 42.059 -0.017 0.000 0.896 528 L HN 0.239 nan 8.230 nan 0.000 0.432 529 E N 0.560 120.757 120.200 -0.006 0.000 2.110 529 E HA -0.200 4.152 4.350 0.004 0.000 0.193 529 E C 2.073 178.678 176.600 0.007 0.000 0.988 529 E CA 1.429 57.828 56.400 -0.001 0.000 0.804 529 E CB -0.065 29.634 29.700 -0.002 0.000 0.745 529 E HN 0.378 nan 8.360 nan 0.000 0.458 530 A N 0.289 123.113 122.820 0.007 0.000 1.933 530 A HA -0.121 4.201 4.320 0.004 0.000 0.218 530 A C 2.313 179.909 177.584 0.021 0.000 1.175 530 A CA 1.414 53.458 52.037 0.012 0.000 0.628 530 A CB -0.605 18.401 19.000 0.009 0.000 0.814 530 A HN 0.352 nan 8.150 nan 0.000 0.444 531 I N -1.317 119.262 120.570 0.015 0.000 2.202 531 I HA -0.220 3.952 4.170 0.004 0.000 0.242 531 I C 2.705 178.853 176.117 0.051 0.000 1.091 531 I CA 1.495 62.808 61.300 0.023 0.000 1.368 531 I CB -0.268 37.727 38.000 -0.008 0.000 1.058 531 I HN 0.317 nan 8.210 nan 0.000 0.410 532 R N 0.301 120.819 120.500 0.030 0.000 2.091 532 R HA -0.170 4.172 4.340 0.004 0.000 0.238 532 R C 2.314 178.674 176.300 0.100 0.000 1.136 532 R CA 2.133 58.268 56.100 0.057 0.000 0.959 532 R CB -0.276 30.037 30.300 0.022 0.000 0.856 532 R HN 0.263 nan 8.270 nan 0.000 0.437 533 T N 0.370 114.959 114.554 0.058 0.000 2.708 533 T HA -0.138 4.214 4.350 0.004 0.000 0.266 533 T C 1.766 176.497 174.700 0.052 0.000 1.037 533 T CA 1.401 63.527 62.100 0.044 0.000 1.146 533 T CB -0.328 68.554 68.868 0.023 0.000 0.865 533 T HN 0.461 nan 8.240 nan 0.000 0.435 534 A N 0.931 123.788 122.820 0.062 0.000 1.883 534 A HA -0.070 4.252 4.320 0.004 0.000 0.217 534 A C 2.044 179.675 177.584 0.078 0.000 1.186 534 A CA 1.603 53.675 52.037 0.058 0.000 0.624 534 A CB -0.992 18.042 19.000 0.057 0.000 0.822 534 A HN 0.519 nan 8.150 nan 0.000 0.444 535 F N 1.233 121.172 119.950 -0.019 0.000 2.113 535 F HA -0.167 4.361 4.527 0.002 0.000 0.297 535 F C 2.024 177.810 175.800 -0.023 0.000 1.103 535 F CA 2.020 60.009 58.000 -0.019 0.000 1.248 535 F CB -0.230 38.758 39.000 -0.019 0.000 0.999 535 F HN 0.191 nan 8.300 nan 0.000 0.475 536 N N 0.651 119.429 118.700 0.130 0.000 2.166 536 N HA -0.109 4.633 4.740 0.004 0.000 0.186 536 N C 2.046 177.498 175.510 -0.097 0.000 1.019 536 N CA 1.342 54.392 53.050 0.002 0.000 0.856 536 N CB -1.167 37.354 38.487 0.057 0.000 0.993 536 N HN 0.476 nan 8.380 nan 0.000 0.426 537 G N -0.132 108.630 108.800 -0.063 0.000 2.471 537 G HA2 -0.049 3.913 3.960 0.004 0.000 0.219 537 G HA3 -0.049 3.913 3.960 0.004 0.000 0.219 537 G C 1.320 176.161 174.900 -0.098 0.000 1.125 537 G CA 0.814 45.875 45.100 -0.065 0.000 0.775 537 G HN 0.423 nan 8.290 nan 0.000 0.548 538 A N -0.794 121.933 122.820 -0.154 0.000 2.275 538 A HA 0.324 4.647 4.320 0.004 0.000 0.212 538 A C 1.300 178.755 177.584 -0.216 0.000 1.201 538 A CA 0.164 52.100 52.037 -0.168 0.000 0.843 538 A CB 0.076 18.972 19.000 -0.174 0.000 0.873 538 A HN 0.290 nan 8.150 nan 0.000 0.492 539 Q N 0.283 119.927 119.800 -0.260 0.000 2.256 539 Q HA 0.505 4.848 4.340 0.004 0.000 0.232 539 Q C -0.396 175.523 176.000 -0.136 0.000 0.965 539 Q CA -0.077 55.578 55.803 -0.248 0.000 0.908 539 Q CB 0.779 29.339 28.738 -0.296 0.000 1.209 539 Q HN 0.215 nan 8.270 nan 0.000 0.489 540 R N -1.187 119.251 120.500 -0.103 0.000 2.837 540 R HA 0.536 4.879 4.340 0.004 0.000 0.271 540 R C 0.275 176.554 176.300 -0.035 0.000 0.993 540 R CA -0.305 55.760 56.100 -0.060 0.000 0.931 540 R CB 1.284 31.555 30.300 -0.049 0.000 1.206 540 R HN 0.846 nan 8.270 nan 0.000 0.474 541 G N -0.016 108.772 108.800 -0.020 0.000 2.179 541 G HA2 -0.218 3.745 3.960 0.004 0.000 0.257 541 G HA3 -0.218 3.745 3.960 0.004 0.000 0.257 541 G C 0.831 175.738 174.900 0.012 0.000 1.010 541 G CA 0.978 46.077 45.100 -0.002 0.000 0.736 541 G HN 1.324 nan 8.290 nan 0.000 0.513 542 G N -0.814 107.986 108.800 0.001 0.000 2.184 542 G HA2 -0.321 3.641 3.960 0.004 0.000 0.264 542 G HA3 -0.321 3.641 3.960 0.004 0.000 0.264 542 G C 0.486 175.403 174.900 0.029 0.000 0.975 542 G CA 1.422 46.532 45.100 0.017 0.000 0.642 542 G HN 1.515 nan 8.290 nan 0.000 0.536 543 K N 0.772 121.188 120.400 0.027 0.000 2.484 543 K HA 0.350 4.672 4.320 0.004 0.000 0.280 543 K C 0.565 177.155 176.600 -0.016 0.000 1.013 543 K CA 0.903 57.226 56.287 0.060 0.000 1.029 543 K CB 0.101 32.635 32.500 0.056 0.000 0.902 543 K HN 0.707 nan 8.250 nan 0.000 0.481 544 Q N 1.308 121.077 119.800 -0.051 0.000 2.534 544 Q HA 0.480 4.822 4.340 0.004 0.000 0.290 544 Q C -1.921 174.107 176.000 0.046 0.000 0.991 544 Q CA -1.106 54.651 55.803 -0.077 0.000 0.783 544 Q CB 1.826 30.366 28.738 -0.329 0.000 1.470 544 Q HN 0.296 nan 8.270 nan 0.000 0.406 545 V N 1.870 121.868 119.914 0.140 0.000 2.513 545 V HA 0.685 4.807 4.120 0.004 0.000 0.299 545 V C -0.455 175.668 176.094 0.047 0.000 1.035 545 V CA 0.064 62.418 62.300 0.090 0.000 0.889 545 V CB 1.822 33.608 31.823 -0.061 0.000 0.988 545 V HN 1.003 nan 8.190 nan 0.000 0.440 546 S N 5.763 121.514 115.700 0.084 0.000 2.593 546 S HA 0.188 4.661 4.470 0.004 0.000 0.269 546 S C 0.847 175.466 174.600 0.032 0.000 1.334 546 S CA -0.173 58.066 58.200 0.065 0.000 1.015 546 S CB 1.269 64.526 63.200 0.095 0.000 0.912 546 S HN 0.849 nan 8.310 nan 0.000 0.541 547 L N 2.134 123.367 121.223 0.018 0.000 2.141 547 L HA 0.106 4.448 4.340 0.004 0.000 0.209 547 L C 2.574 179.450 176.870 0.009 0.000 1.094 547 L CA 2.126 56.968 54.840 0.003 0.000 0.763 547 L CB -1.487 40.571 42.059 -0.003 0.000 0.908 547 L HN 0.961 nan 8.230 nan 0.000 0.437 548 A N -0.673 122.158 122.820 0.019 0.000 1.892 548 A HA -0.263 4.059 4.320 0.004 0.000 0.218 548 A C 2.060 179.675 177.584 0.050 0.000 1.188 548 A CA 2.125 54.174 52.037 0.020 0.000 0.631 548 A CB -0.876 18.133 19.000 0.015 0.000 0.822 548 A HN 0.501 nan 8.150 nan 0.000 0.447 549 D N -0.695 119.757 120.400 0.087 0.000 2.097 549 D HA -0.108 4.535 4.640 0.004 0.000 0.197 549 D C 1.861 178.217 176.300 0.094 0.000 0.984 549 D CA 1.200 55.316 54.000 0.194 0.000 0.826 549 D CB -0.406 40.547 40.800 0.255 0.000 0.973 549 D HN 0.296 nan 8.370 nan 0.000 0.460 550 L N 0.938 122.156 121.223 -0.008 0.000 2.046 550 L HA -0.102 4.240 4.340 0.004 0.000 0.208 550 L C 2.149 178.979 176.870 -0.067 0.000 1.077 550 L CA 1.209 55.992 54.840 -0.095 0.000 0.747 550 L CB -0.523 41.480 42.059 -0.095 0.000 0.896 550 L HN 0.020 nan 8.230 nan 0.000 0.432 551 I N -1.762 118.798 120.570 -0.016 0.000 2.151 551 I HA -0.336 3.837 4.170 0.004 0.000 0.243 551 I C 2.288 178.425 176.117 0.033 0.000 1.080 551 I CA 1.439 62.743 61.300 0.007 0.000 1.339 551 I CB -0.420 37.586 38.000 0.009 0.000 1.039 551 I HN 0.084 nan 8.210 nan 0.000 0.409 552 V N 0.300 120.246 119.914 0.052 0.000 2.323 552 V HA -0.245 3.877 4.120 0.004 0.000 0.244 552 V C 2.328 178.459 176.094 0.063 0.000 1.041 552 V CA 1.473 63.839 62.300 0.110 0.000 1.025 552 V CB -0.524 31.411 31.823 0.187 0.000 0.656 552 V HN 0.334 nan 8.190 nan 0.000 0.451 553 L N 0.998 122.098 121.223 -0.205 0.000 2.042 553 L HA -0.128 4.214 4.340 0.004 0.000 0.210 553 L C 2.464 179.204 176.870 -0.218 0.000 1.076 553 L CA 2.378 56.892 54.840 -0.542 0.000 0.749 553 L CB -0.958 40.540 42.059 -0.936 0.000 0.893 553 L HN 0.241 nan 8.230 nan 0.000 0.432 554 A N -0.646 122.100 122.820 -0.123 0.000 1.908 554 A HA -0.112 4.211 4.320 0.004 0.000 0.218 554 A C 2.364 179.966 177.584 0.030 0.000 1.181 554 A CA 1.647 53.654 52.037 -0.050 0.000 0.627 554 A CB -1.597 17.384 19.000 -0.031 0.000 0.818 554 A HN 0.532 nan 8.150 nan 0.000 0.445 555 G N -0.819 108.058 108.800 0.129 0.000 2.446 555 G HA2 -0.293 3.669 3.960 0.004 0.000 0.217 555 G HA3 -0.293 3.669 3.960 0.004 0.000 0.217 555 G C 1.606 176.644 174.900 0.229 0.000 1.168 555 G CA 1.327 46.602 45.100 0.292 0.000 0.771 555 G HN 0.528 nan 8.290 nan 0.000 0.551 556 C N 0.961 120.416 119.300 0.258 0.000 2.413 556 C HA 0.080 4.542 4.460 0.004 0.000 0.276 556 C C 3.558 178.557 174.990 0.014 0.000 1.236 556 C CA 0.953 60.074 59.018 0.173 0.000 1.735 556 C CB -1.077 26.760 27.740 0.161 0.000 2.031 556 C HN 0.587 nan 8.230 nan 0.000 0.474 557 A N 0.800 123.608 122.820 -0.021 0.000 1.908 557 A HA -0.003 4.320 4.320 0.004 0.000 0.218 557 A C 2.416 179.970 177.584 -0.051 0.000 1.181 557 A CA 2.249 54.259 52.037 -0.044 0.000 0.627 557 A CB -1.312 17.653 19.000 -0.058 0.000 0.818 557 A HN 0.573 nan 8.150 nan 0.000 0.445 558 G N -0.671 108.098 108.800 -0.051 0.000 2.440 558 G HA2 -0.133 3.830 3.960 0.004 0.000 0.218 558 G HA3 -0.133 3.830 3.960 0.004 0.000 0.218 558 G C 1.516 176.332 174.900 -0.139 0.000 1.154 558 G CA 1.301 46.354 45.100 -0.078 0.000 0.767 558 G HN 0.340 nan 8.290 nan 0.000 0.552 559 V N 0.762 120.549 119.914 -0.212 0.000 2.358 559 V HA -0.160 3.962 4.120 0.004 0.000 0.246 559 V C 2.672 178.677 176.094 -0.147 0.000 1.047 559 V CA 2.181 64.317 62.300 -0.273 0.000 1.035 559 V CB -0.560 30.979 31.823 -0.473 0.000 0.658 559 V HN 0.479 nan 8.190 nan 0.000 0.452 560 E N -0.170 119.976 120.200 -0.090 0.000 2.097 560 E HA -0.346 4.007 4.350 0.004 0.000 0.196 560 E C 2.250 178.827 176.600 -0.040 0.000 1.000 560 E CA 1.701 58.074 56.400 -0.045 0.000 0.804 560 E CB -0.179 29.506 29.700 -0.024 0.000 0.740 560 E HN 0.519 nan 8.360 nan 0.000 0.454 561 Q N 0.770 120.540 119.800 -0.049 0.000 2.079 561 Q HA -0.111 4.232 4.340 0.004 0.000 0.200 561 Q C 1.952 177.927 176.000 -0.042 0.000 0.974 561 Q CA 1.791 57.572 55.803 -0.038 0.000 0.840 561 Q CB -0.342 28.372 28.738 -0.039 0.000 0.898 561 Q HN 0.254 nan 8.270 nan 0.000 0.430 562 A N 0.320 123.095 122.820 -0.074 0.000 1.902 562 A HA -0.081 4.241 4.320 0.004 0.000 0.217 562 A C 2.298 179.851 177.584 -0.053 0.000 1.181 562 A CA 1.996 53.982 52.037 -0.085 0.000 0.623 562 A CB -1.222 17.686 19.000 -0.154 0.000 0.818 562 A HN 0.524 nan 8.150 nan 0.000 0.443 563 A N -0.315 122.475 122.820 -0.050 0.000 1.902 563 A HA -0.169 4.153 4.320 0.004 0.000 0.217 563 A C 2.149 179.782 177.584 0.083 0.000 1.181 563 A CA 1.984 54.023 52.037 0.004 0.000 0.623 563 A CB -0.466 18.527 19.000 -0.012 0.000 0.818 563 A HN 0.558 nan 8.150 nan 0.000 0.443 564 K N -0.347 120.078 120.400 0.042 0.000 2.057 564 K HA -0.207 4.115 4.320 0.004 0.000 0.207 564 K C 1.596 178.217 176.600 0.035 0.000 1.049 564 K CA 1.589 57.900 56.287 0.040 0.000 0.931 564 K CB -0.245 32.264 32.500 0.016 0.000 0.714 564 K HN 0.401 nan 8.250 nan 0.000 0.440 565 N N 0.679 119.392 118.700 0.021 0.000 2.192 565 N HA -0.164 4.578 4.740 0.004 0.000 0.188 565 N C 1.298 176.831 175.510 0.039 0.000 1.013 565 N CA 1.443 54.503 53.050 0.017 0.000 0.863 565 N CB -0.242 38.245 38.487 -0.001 0.000 0.990 565 N HN 0.308 nan 8.380 nan 0.000 0.430 566 A N -0.668 122.200 122.820 0.080 0.000 2.275 566 A HA 0.464 4.786 4.320 0.004 0.000 0.212 566 A C 1.367 179.029 177.584 0.129 0.000 1.201 566 A CA 0.642 52.761 52.037 0.138 0.000 0.843 566 A CB -0.214 18.913 19.000 0.212 0.000 0.873 566 A HN 0.298 nan 8.150 nan 0.000 0.492 567 G N -0.749 108.087 108.800 0.061 0.000 2.132 567 G HA2 -0.192 3.770 3.960 0.004 0.000 0.234 567 G HA3 -0.192 3.770 3.960 0.004 0.000 0.234 567 G C -0.087 174.724 174.900 -0.149 0.000 0.989 567 G CA 0.221 45.291 45.100 -0.050 0.000 0.676 567 G HN 0.714 nan 8.290 nan 0.000 0.522 568 H N -0.254 118.825 119.070 0.015 0.000 2.499 568 H HA 0.641 5.200 4.556 0.004 0.000 0.340 568 H C 0.213 175.547 175.328 0.010 0.000 1.148 568 H CA 0.036 56.094 56.048 0.018 0.000 1.215 568 H CB 2.015 31.792 29.762 0.025 0.000 1.529 568 H HN 0.480 nan 8.280 nan 0.000 0.510 569 A N 3.339 126.235 122.820 0.126 0.000 2.280 569 A HA 0.479 4.801 4.320 0.004 0.000 0.320 569 A C -0.496 177.134 177.584 0.076 0.000 1.366 569 A CA -0.506 51.576 52.037 0.074 0.000 0.938 569 A CB -0.012 19.015 19.000 0.045 0.000 1.157 569 A HN 0.371 nan 8.150 nan 0.000 0.536 570 V N 2.798 122.748 119.914 0.059 0.000 2.577 570 V HA 0.438 4.560 4.120 0.004 0.000 0.303 570 V C -0.054 176.059 176.094 0.032 0.000 1.042 570 V CA -0.450 61.876 62.300 0.044 0.000 0.872 570 V CB 2.182 34.021 31.823 0.028 0.000 0.998 570 V HN 0.846 nan 8.190 nan 0.000 0.423 571 T N 4.133 118.708 114.554 0.035 0.000 2.767 571 T HA 0.512 4.865 4.350 0.004 0.000 0.288 571 T C -0.142 174.588 174.700 0.050 0.000 0.963 571 T CA -0.390 61.733 62.100 0.038 0.000 1.019 571 T CB 1.486 70.378 68.868 0.040 0.000 0.923 571 T HN 0.334 nan 8.240 nan 0.000 0.468 572 V N 6.304 126.256 119.914 0.062 0.000 2.432 572 V HA 0.277 4.399 4.120 0.004 0.000 0.275 572 V C -1.911 174.262 176.094 0.131 0.000 1.043 572 V CA -1.904 60.457 62.300 0.101 0.000 0.925 572 V CB 0.654 32.553 31.823 0.126 0.000 0.985 572 V HN 0.735 nan 8.190 nan 0.000 0.466 573 P HA 0.229 nan 4.420 nan 0.000 0.267 573 P C -1.018 176.403 177.300 0.201 0.000 1.200 573 P CA 0.082 63.252 63.100 0.117 0.000 0.772 573 P CB 0.258 31.990 31.700 0.054 0.000 0.855 574 F N 1.393 121.345 119.950 0.004 0.000 2.596 574 F HA 0.644 5.173 4.527 0.003 0.000 0.311 574 F C -1.569 174.215 175.800 -0.027 0.000 1.116 574 F CA -0.912 57.083 58.000 -0.009 0.000 0.957 574 F CB 1.510 40.513 39.000 0.004 0.000 1.250 574 F HN 0.379 nan 8.300 nan 0.000 0.444 575 A N 7.491 129.669 122.820 -1.069 0.000 2.285 575 A HA 0.758 5.080 4.320 0.004 0.000 0.310 575 A C -2.853 174.069 177.584 -1.103 0.000 1.266 575 A CA -1.683 49.875 52.037 -0.798 0.000 0.832 575 A CB 0.417 19.161 19.000 -0.427 0.000 1.163 575 A HN 0.480 nan 8.150 nan 0.000 0.499 576 P HA 0.498 nan 4.420 nan 0.000 0.275 576 P C 0.831 178.006 177.300 -0.208 0.000 1.266 576 P CA 0.988 63.881 63.100 -0.345 0.000 0.793 576 P CB 0.957 32.669 31.700 0.021 0.000 1.074 577 G N -1.213 107.536 108.800 -0.085 0.000 2.367 577 G HA2 -0.140 3.823 3.960 0.004 0.000 0.181 577 G HA3 -0.140 3.823 3.960 0.004 0.000 0.181 577 G C 0.151 175.015 174.900 -0.061 0.000 1.000 577 G CA -0.531 44.520 45.100 -0.081 0.000 0.693 577 G HN 0.528 nan 8.290 nan 0.000 0.480 578 R N 0.883 121.357 120.500 -0.045 0.000 2.643 578 R HA 0.585 4.927 4.340 0.004 0.000 0.270 578 R C 0.487 176.797 176.300 0.016 0.000 1.061 578 R CA 0.731 56.818 56.100 -0.022 0.000 1.107 578 R CB 0.788 31.080 30.300 -0.012 0.000 0.999 578 R HN 0.530 nan 8.270 nan 0.000 0.460 579 A N 1.702 124.528 122.820 0.011 0.000 2.350 579 A HA 0.379 4.701 4.320 0.004 0.000 0.318 579 A C -1.134 176.463 177.584 0.023 0.000 1.132 579 A CA -0.945 51.113 52.037 0.034 0.000 0.811 579 A CB 1.173 20.186 19.000 0.021 0.000 1.313 579 A HN 0.614 nan 8.150 nan 0.000 0.454 580 D N 1.392 121.810 120.400 0.030 0.000 2.274 580 D HA 0.504 5.146 4.640 0.004 0.000 0.239 580 D C 0.242 176.544 176.300 0.003 0.000 1.104 580 D CA 0.375 54.382 54.000 0.012 0.000 0.840 580 D CB 1.585 42.393 40.800 0.013 0.000 1.100 580 D HN 0.694 nan 8.370 nan 0.000 0.477 581 A N 2.139 124.955 122.820 -0.007 0.000 2.322 581 A HA 0.499 4.821 4.320 0.004 0.000 0.269 581 A C 0.698 178.273 177.584 -0.014 0.000 1.094 581 A CA -0.505 51.524 52.037 -0.013 0.000 0.807 581 A CB 0.444 19.433 19.000 -0.018 0.000 1.047 581 A HN 0.527 nan 8.150 nan 0.000 0.487 582 S N 0.269 115.961 115.700 -0.014 0.000 2.693 582 S HA 0.295 4.767 4.470 0.004 0.000 0.276 582 S C 0.823 175.414 174.600 -0.015 0.000 1.192 582 S CA -0.014 58.178 58.200 -0.013 0.000 0.994 582 S CB 1.146 64.341 63.200 -0.009 0.000 1.012 582 S HN 0.724 nan 8.310 nan 0.000 0.550 583 Q N 0.575 120.366 119.800 -0.014 0.000 2.124 583 Q HA -0.119 4.224 4.340 0.004 0.000 0.202 583 Q C 1.536 177.533 176.000 -0.005 0.000 0.977 583 Q CA 2.059 57.853 55.803 -0.014 0.000 0.850 583 Q CB -0.529 28.201 28.738 -0.013 0.000 0.901 583 Q HN 0.871 nan 8.270 nan 0.000 0.429 584 E N -0.261 119.938 120.200 -0.002 0.000 2.274 584 E HA -0.119 4.233 4.350 0.004 0.000 0.194 584 E C 1.297 177.899 176.600 0.002 0.000 0.996 584 E CA 0.873 57.276 56.400 0.004 0.000 0.840 584 E CB 0.069 29.771 29.700 0.004 0.000 0.772 584 E HN 0.490 nan 8.360 nan 0.000 0.491 585 Q N -0.297 119.499 119.800 -0.006 0.000 2.365 585 Q HA 0.111 4.453 4.340 0.004 0.000 0.203 585 Q C -0.389 175.608 176.000 -0.006 0.000 0.929 585 Q CA 0.444 56.239 55.803 -0.013 0.000 0.948 585 Q CB 0.717 29.441 28.738 -0.023 0.000 1.043 585 Q HN -0.028 nan 8.270 nan 0.000 0.505 586 T N 0.948 115.503 114.554 0.002 0.000 2.991 586 T HA 0.066 4.419 4.350 0.004 0.000 0.347 586 T C -1.103 173.612 174.700 0.024 0.000 1.122 586 T CA -0.756 61.348 62.100 0.008 0.000 1.062 586 T CB 0.908 69.768 68.868 -0.013 0.000 1.043 586 T HN 0.003 nan 8.240 nan 0.000 0.491 587 D N 3.187 123.615 120.400 0.048 0.000 2.342 587 D HA 0.069 4.712 4.640 0.004 0.000 0.260 587 D C 1.258 177.601 176.300 0.073 0.000 1.278 587 D CA -0.263 53.778 54.000 0.069 0.000 0.910 587 D CB 0.930 41.789 40.800 0.099 0.000 1.079 587 D HN 0.181 nan 8.370 nan 0.000 0.496 588 V N 4.425 124.377 119.914 0.063 0.000 2.490 588 V HA -0.217 3.905 4.120 0.004 0.000 0.250 588 V C 2.126 178.282 176.094 0.103 0.000 1.061 588 V CA 1.725 64.067 62.300 0.070 0.000 1.064 588 V CB -0.389 31.467 31.823 0.054 0.000 0.670 588 V HN 0.595 nan 8.190 nan 0.000 0.461 589 E N 0.388 120.647 120.200 0.098 0.000 2.072 589 E HA -0.152 4.200 4.350 0.004 0.000 0.190 589 E C 2.356 179.025 176.600 0.115 0.000 0.982 589 E CA 1.435 57.898 56.400 0.104 0.000 0.803 589 E CB -0.260 29.495 29.700 0.092 0.000 0.755 589 E HN 0.682 nan 8.360 nan 0.000 0.453 590 S N 0.570 116.341 115.700 0.119 0.000 2.428 590 S HA -0.072 4.400 4.470 0.004 0.000 0.230 590 S C 2.010 176.694 174.600 0.140 0.000 1.014 590 S CA 0.517 58.794 58.200 0.128 0.000 0.957 590 S CB -0.024 63.263 63.200 0.144 0.000 0.784 590 S HN 0.057 nan 8.310 nan 0.000 0.499 591 M N 1.625 121.317 119.600 0.153 0.000 2.296 591 M HA 0.124 4.607 4.480 0.004 0.000 0.265 591 M C 2.569 179.065 176.300 0.328 0.000 1.064 591 M CA 1.212 56.637 55.300 0.209 0.000 1.109 591 M CB -1.789 30.907 32.600 0.160 0.000 1.396 591 M HN 0.587 nan 8.290 nan 0.000 0.430 592 A N 0.521 123.500 122.820 0.265 0.000 1.986 592 A HA -0.125 4.198 4.320 0.004 0.000 0.220 592 A C 2.150 179.789 177.584 0.092 0.000 1.171 592 A CA 2.043 54.220 52.037 0.234 0.000 0.640 592 A CB -1.126 17.966 19.000 0.153 0.000 0.811 592 A HN 0.445 nan 8.150 nan 0.000 0.451 593 V N -2.563 117.397 119.914 0.077 0.000 3.141 593 V HA -0.004 4.118 4.120 0.004 0.000 0.265 593 V C 1.787 177.860 176.094 -0.035 0.000 1.126 593 V CA 1.524 63.823 62.300 -0.002 0.000 1.141 593 V CB -0.802 31.020 31.823 -0.002 0.000 0.743 593 V HN 0.460 nan 8.190 nan 0.000 0.492 594 L N 0.284 121.528 121.223 0.036 0.000 2.591 594 L HA 0.260 4.602 4.340 0.004 0.000 0.228 594 L C 1.299 178.009 176.870 -0.267 0.000 1.133 594 L CA 0.224 55.079 54.840 0.026 0.000 0.880 594 L CB -0.332 41.867 42.059 0.232 0.000 1.033 594 L HN 0.419 nan 8.230 nan 0.000 0.450 595 E N 3.853 123.632 120.200 -0.702 0.000 2.415 595 E HA -0.008 4.344 4.350 0.004 0.000 0.260 595 E C -1.870 174.359 176.600 -0.619 0.000 1.016 595 E CA -1.437 54.097 56.400 -1.442 0.000 0.924 595 E CB 0.696 29.577 29.700 -1.365 0.000 0.961 595 E HN -0.002 nan 8.360 nan 0.000 0.459 596 P HA -0.010 nan 4.420 nan 0.000 0.231 596 P C 0.878 178.223 177.300 0.075 0.000 1.811 596 P CA -0.031 63.018 63.100 -0.085 0.000 1.051 596 P CB 0.173 31.902 31.700 0.048 0.000 1.951 597 V N -0.131 119.780 119.914 -0.005 0.000 2.688 597 V HA 0.017 4.139 4.120 0.004 0.000 0.256 597 V C 0.859 177.018 176.094 0.107 0.000 1.084 597 V CA 1.346 63.703 62.300 0.095 0.000 1.103 597 V CB -1.168 30.665 31.823 0.016 0.000 0.688 597 V HN 0.386 nan 8.190 nan 0.000 0.480 598 A N 0.226 123.092 122.820 0.076 0.000 2.330 598 A HA 0.707 5.029 4.320 0.004 0.000 0.313 598 A C -1.089 176.611 177.584 0.193 0.000 1.124 598 A CA -0.201 51.898 52.037 0.103 0.000 0.774 598 A CB 1.462 20.481 19.000 0.033 0.000 1.198 598 A HN 0.359 nan 8.150 nan 0.000 0.465 599 D N 2.146 122.719 120.400 0.288 0.000 2.330 599 D HA 0.384 5.026 4.640 0.004 0.000 0.249 599 D C 1.153 177.609 176.300 0.260 0.000 1.306 599 D CA 0.370 54.579 54.000 0.349 0.000 0.956 599 D CB 0.955 42.032 40.800 0.462 0.000 1.261 599 D HN 0.498 nan 8.370 nan 0.000 0.544 600 G N 1.387 110.239 108.800 0.087 0.000 2.448 600 G HA2 -0.231 3.731 3.960 0.004 0.000 0.219 600 G HA3 -0.231 3.731 3.960 0.004 0.000 0.219 600 G C 1.185 175.996 174.900 -0.150 0.000 1.127 600 G CA 0.390 45.435 45.100 -0.091 0.000 0.766 600 G HN 0.493 nan 8.290 nan 0.000 0.552 601 F N 0.176 120.164 119.950 0.064 0.000 2.451 601 F HA 0.163 4.692 4.527 0.003 0.000 0.299 601 F C 2.494 178.165 175.800 -0.215 0.000 1.101 601 F CA 0.661 58.573 58.000 -0.147 0.000 1.436 601 F CB 0.255 39.113 39.000 -0.237 0.000 1.074 601 F HN 0.002 nan 8.300 nan 0.000 0.553 602 R N -0.301 120.281 120.500 0.136 0.000 2.577 602 R HA 0.108 4.451 4.340 0.004 0.000 0.344 602 R C -0.009 176.370 176.300 0.130 0.000 1.037 602 R CA -0.230 55.930 56.100 0.101 0.000 1.102 602 R CB -0.093 30.322 30.300 0.191 0.000 1.313 602 R HN -0.064 nan 8.270 nan 0.000 0.561 603 N N 1.243 120.000 118.700 0.095 0.000 2.714 603 N HA -0.277 4.466 4.740 0.004 0.000 0.252 603 N C -1.604 174.025 175.510 0.199 0.000 1.014 603 N CA 0.937 54.051 53.050 0.108 0.000 0.735 603 N CB -0.915 37.621 38.487 0.081 0.000 0.924 603 N HN 0.379 nan 8.380 nan 0.000 0.540 604 Y N 0.060 120.410 120.300 0.083 0.000 2.341 604 Y HA 0.667 5.221 4.550 0.005 0.000 0.338 604 Y C -0.802 175.157 175.900 0.099 0.000 0.965 604 Y CA -0.895 57.262 58.100 0.096 0.000 1.108 604 Y CB 1.035 39.565 38.460 0.117 0.000 1.180 604 Y HN 0.119 nan 8.280 nan 0.000 0.458 605 L N 7.528 128.399 121.223 -0.588 0.000 2.406 605 L HA 0.404 4.746 4.340 0.004 0.000 0.272 605 L C 0.708 177.128 176.870 -0.749 0.000 0.980 605 L CA -0.613 53.915 54.840 -0.521 0.000 0.831 605 L CB 2.200 44.135 42.059 -0.206 0.000 1.253 605 L HN 0.714 nan 8.230 nan 0.000 0.406 606 K N 1.791 121.818 120.400 -0.622 0.000 2.103 606 K HA 0.095 4.417 4.320 0.004 0.000 0.204 606 K C 0.688 177.137 176.600 -0.250 0.000 1.052 606 K CA 1.131 57.211 56.287 -0.344 0.000 0.945 606 K CB 0.336 32.831 32.500 -0.008 0.000 0.722 606 K HN 0.813 nan 8.250 nan 0.000 0.443 607 G N -0.077 108.457 108.800 -0.443 0.000 2.921 607 G HA2 0.202 4.164 3.960 0.004 0.000 0.291 607 G HA3 0.202 4.164 3.960 0.004 0.000 0.291 607 G C -1.750 172.614 174.900 -0.893 0.000 1.370 607 G CA -0.724 44.030 45.100 -0.576 0.000 0.847 607 G HN 0.042 nan 8.290 nan 0.000 0.532 608 K N 0.044 120.061 120.400 -0.638 0.000 2.258 608 K HA 0.435 4.757 4.320 0.004 0.000 0.284 608 K C -1.407 174.869 176.600 -0.540 0.000 1.051 608 K CA -0.234 55.764 56.287 -0.483 0.000 0.923 608 K CB 0.516 32.880 32.500 -0.226 0.000 1.046 608 K HN 0.528 nan 8.250 nan 0.000 0.474 609 Y N 2.126 122.393 120.300 -0.055 0.000 2.562 609 Y HA 0.324 4.876 4.550 0.003 0.000 0.343 609 Y C 1.200 177.069 175.900 -0.051 0.000 1.025 609 Y CA -1.185 56.881 58.100 -0.057 0.000 1.082 609 Y CB 1.797 40.214 38.460 -0.071 0.000 1.264 609 Y HN 0.532 nan 8.280 nan 0.000 0.478 610 R N 0.091 120.667 120.500 0.128 0.000 2.236 610 R HA 0.077 4.419 4.340 0.004 0.000 0.208 610 R C -0.434 175.875 176.300 0.015 0.000 1.036 610 R CA 0.293 56.419 56.100 0.044 0.000 1.001 610 R CB -0.015 30.297 30.300 0.020 0.000 0.896 610 R HN 0.232 nan 8.270 nan 0.000 0.464 611 V N 3.702 123.624 119.914 0.014 0.000 2.406 611 V HA 0.203 4.325 4.120 0.004 0.000 0.272 611 V C -2.009 174.090 176.094 0.008 0.000 1.043 611 V CA -2.285 59.995 62.300 -0.034 0.000 0.915 611 V CB 1.071 32.832 31.823 -0.104 0.000 0.988 611 V HN 0.022 nan 8.190 nan 0.000 0.466 612 P HA 0.115 nan 4.420 nan 0.000 0.269 612 P C 0.644 177.943 177.300 -0.001 0.000 1.209 612 P CA -0.088 63.017 63.100 0.008 0.000 0.776 612 P CB 0.923 32.625 31.700 0.003 0.000 0.876 613 A N 3.090 125.917 122.820 0.013 0.000 2.019 613 A HA -0.183 4.139 4.320 0.004 0.000 0.219 613 A C 1.888 179.452 177.584 -0.033 0.000 1.164 613 A CA 1.355 53.397 52.037 0.008 0.000 0.644 613 A CB -0.829 18.184 19.000 0.021 0.000 0.805 613 A HN 0.686 nan 8.150 nan 0.000 0.449 614 E N 0.347 120.515 120.200 -0.054 0.000 2.107 614 E HA -0.101 4.251 4.350 0.004 0.000 0.191 614 E C 1.826 178.358 176.600 -0.112 0.000 0.982 614 E CA 1.501 57.837 56.400 -0.107 0.000 0.809 614 E CB -1.001 28.616 29.700 -0.138 0.000 0.756 614 E HN 0.323 nan 8.360 nan 0.000 0.459 615 V N 2.113 121.977 119.914 -0.084 0.000 2.343 615 V HA -0.242 3.880 4.120 0.004 0.000 0.247 615 V C 2.705 178.749 176.094 -0.085 0.000 1.051 615 V CA 1.563 63.812 62.300 -0.085 0.000 1.036 615 V CB -0.611 31.164 31.823 -0.079 0.000 0.654 615 V HN 0.198 nan 8.190 nan 0.000 0.451 616 L N -0.876 120.303 121.223 -0.074 0.000 2.093 616 L HA -0.152 4.190 4.340 0.004 0.000 0.208 616 L C 2.461 179.305 176.870 -0.044 0.000 1.085 616 L CA 1.041 55.842 54.840 -0.066 0.000 0.755 616 L CB -0.610 41.417 42.059 -0.053 0.000 0.904 616 L HN 0.341 nan 8.230 nan 0.000 0.435 617 L N -0.129 121.052 121.223 -0.070 0.000 1.990 617 L HA -0.203 4.140 4.340 0.004 0.000 0.213 617 L C 2.402 179.239 176.870 -0.055 0.000 1.072 617 L CA 1.810 56.581 54.840 -0.114 0.000 0.755 617 L CB -0.440 41.506 42.059 -0.189 0.000 0.889 617 L HN -0.085 nan 8.230 nan 0.000 0.432 618 V N -0.105 119.768 119.914 -0.069 0.000 2.407 618 V HA -0.289 3.833 4.120 0.004 0.000 0.248 618 V C 2.297 178.390 176.094 -0.001 0.000 1.055 618 V CA 1.837 64.114 62.300 -0.039 0.000 1.049 618 V CB -0.801 30.966 31.823 -0.094 0.000 0.662 618 V HN 0.632 nan 8.190 nan 0.000 0.455 619 D N 0.338 120.726 120.400 -0.020 0.000 2.104 619 D HA -0.251 4.392 4.640 0.004 0.000 0.194 619 D C 2.124 178.446 176.300 0.037 0.000 0.994 619 D CA 1.623 55.613 54.000 -0.017 0.000 0.830 619 D CB -0.114 40.651 40.800 -0.058 0.000 0.959 619 D HN 0.248 nan 8.370 nan 0.000 0.452 620 K N 0.328 120.781 120.400 0.089 0.000 2.057 620 K HA -0.013 4.309 4.320 0.004 0.000 0.207 620 K C 1.881 178.650 176.600 0.280 0.000 1.049 620 K CA 1.571 57.975 56.287 0.194 0.000 0.931 620 K CB -0.784 31.892 32.500 0.294 0.000 0.714 620 K HN 0.166 nan 8.250 nan 0.000 0.440 621 A N 0.707 123.732 122.820 0.341 0.000 1.902 621 A HA -0.217 4.105 4.320 0.004 0.000 0.217 621 A C 2.232 179.921 177.584 0.176 0.000 1.181 621 A CA 1.737 53.981 52.037 0.344 0.000 0.623 621 A CB -0.698 18.515 19.000 0.355 0.000 0.818 621 A HN 0.487 nan 8.150 nan 0.000 0.443 622 Q N -0.107 119.758 119.800 0.108 0.000 2.084 622 Q HA -0.131 4.211 4.340 0.004 0.000 0.202 622 Q C 2.071 178.113 176.000 0.070 0.000 0.978 622 Q CA 1.612 57.455 55.803 0.065 0.000 0.844 622 Q CB -0.302 28.450 28.738 0.024 0.000 0.898 622 Q HN 0.718 nan 8.270 nan 0.000 0.426 623 L N 0.262 121.521 121.223 0.061 0.000 2.131 623 L HA -0.156 4.186 4.340 0.004 0.000 0.210 623 L C 2.290 179.218 176.870 0.098 0.000 1.092 623 L CA 0.634 55.497 54.840 0.038 0.000 0.759 623 L CB -0.259 41.802 42.059 0.004 0.000 0.903 623 L HN 0.187 nan 8.230 nan 0.000 0.435 624 L N -0.312 120.986 121.223 0.125 0.000 2.599 624 L HA -0.026 4.316 4.340 0.004 0.000 0.230 624 L C 1.235 178.180 176.870 0.124 0.000 1.141 624 L CA 0.782 55.703 54.840 0.136 0.000 0.877 624 L CB -0.547 41.538 42.059 0.043 0.000 1.009 624 L HN 0.572 nan 8.230 nan 0.000 0.447 625 T N -3.658 110.973 114.554 0.129 0.000 5.043 625 T HA -0.222 4.130 4.350 0.004 0.000 0.285 625 T C 0.013 174.766 174.700 0.088 0.000 1.739 625 T CA 0.431 62.598 62.100 0.112 0.000 3.014 625 T CB -2.606 66.335 68.868 0.123 0.000 1.463 625 T HN 0.170 nan 8.240 nan 0.000 1.007 626 L N 2.224 123.504 121.223 0.096 0.000 2.350 626 L HA 0.647 4.989 4.340 0.004 0.000 0.275 626 L C 1.332 178.279 176.870 0.127 0.000 1.099 626 L CA -0.427 54.477 54.840 0.107 0.000 0.808 626 L CB 1.405 43.545 42.059 0.136 0.000 1.149 626 L HN 0.558 nan 8.230 nan 0.000 0.442 627 S N 1.602 117.397 115.700 0.158 0.000 2.655 627 S HA 0.398 4.871 4.470 0.004 0.000 0.265 627 S C 1.060 175.816 174.600 0.260 0.000 1.240 627 S CA -0.155 58.186 58.200 0.235 0.000 0.986 627 S CB 1.525 64.899 63.200 0.289 0.000 0.985 627 S HN 0.682 nan 8.310 nan 0.000 0.562 628 A N 0.819 123.890 122.820 0.417 0.000 1.933 628 A HA 0.120 4.442 4.320 0.004 0.000 0.218 628 A C -0.462 177.312 177.584 0.317 0.000 1.175 628 A CA 1.281 53.515 52.037 0.328 0.000 0.628 628 A CB -2.087 17.136 19.000 0.372 0.000 0.814 628 A HN 0.721 nan 8.150 nan 0.000 0.444 629 P HA -0.113 nan 4.420 nan 0.000 0.217 629 P C 1.138 178.582 177.300 0.239 0.000 1.150 629 P CA 1.307 64.576 63.100 0.280 0.000 0.832 629 P CB -0.042 31.795 31.700 0.229 0.000 0.787 630 E N -0.764 119.554 120.200 0.196 0.000 2.051 630 E HA -0.191 4.161 4.350 0.004 0.000 0.192 630 E C 2.010 178.710 176.600 0.165 0.000 0.991 630 E CA 1.073 57.553 56.400 0.132 0.000 0.799 630 E CB -0.562 29.198 29.700 0.101 0.000 0.748 630 E HN 0.205 nan 8.360 nan 0.000 0.449 631 M N 0.799 120.555 119.600 0.260 0.000 2.080 631 M HA -0.201 4.282 4.480 0.004 0.000 0.260 631 M C 2.046 178.572 176.300 0.376 0.000 1.068 631 M CA 1.735 57.287 55.300 0.420 0.000 1.109 631 M CB -0.201 32.655 32.600 0.425 0.000 1.342 631 M HN 0.026 nan 8.290 nan 0.000 0.405 632 T N 0.854 115.609 114.554 0.335 0.000 2.622 632 T HA -0.158 4.194 4.350 0.004 0.000 0.266 632 T C 1.768 176.561 174.700 0.154 0.000 1.047 632 T CA 2.268 64.529 62.100 0.270 0.000 1.159 632 T CB -0.932 68.178 68.868 0.403 0.000 0.863 632 T HN 0.556 nan 8.240 nan 0.000 0.422 633 V N 0.648 120.580 119.914 0.030 0.000 2.343 633 V HA -0.068 4.054 4.120 0.004 0.000 0.247 633 V C 2.384 178.621 176.094 0.238 0.000 1.051 633 V CA 1.436 63.719 62.300 -0.029 0.000 1.036 633 V CB -1.200 30.390 31.823 -0.387 0.000 0.654 633 V HN 0.306 nan 8.190 nan 0.000 0.451 634 L N -0.037 121.279 121.223 0.156 0.000 2.017 634 L HA -0.031 4.311 4.340 0.004 0.000 0.208 634 L C 2.373 179.363 176.870 0.200 0.000 1.073 634 L CA 2.324 57.268 54.840 0.174 0.000 0.745 634 L CB -0.576 41.476 42.059 -0.012 0.000 0.894 634 L HN 0.416 nan 8.230 nan 0.000 0.432 635 L N -1.012 120.274 121.223 0.104 0.000 2.027 635 L HA -0.030 4.313 4.340 0.004 0.000 0.206 635 L C 2.348 178.876 176.870 -0.571 0.000 1.074 635 L CA 1.626 56.358 54.840 -0.181 0.000 0.745 635 L CB -0.994 40.840 42.059 -0.375 0.000 0.898 635 L HN 0.367 nan 8.230 nan 0.000 0.433 636 G N -0.795 107.614 108.800 -0.651 0.000 2.505 636 G HA2 -0.294 3.668 3.960 0.004 0.000 0.220 636 G HA3 -0.294 3.668 3.960 0.004 0.000 0.220 636 G C 1.425 176.065 174.900 -0.434 0.000 1.145 636 G CA 0.758 45.299 45.100 -0.933 0.000 0.761 636 G HN 0.574 nan 8.290 nan 0.000 0.571 637 G N 0.540 109.317 108.800 -0.039 0.000 2.394 637 G HA2 -0.051 3.911 3.960 0.004 0.000 0.214 637 G HA3 -0.051 3.911 3.960 0.004 0.000 0.214 637 G C 1.820 176.517 174.900 -0.339 0.000 1.176 637 G CA 0.587 45.539 45.100 -0.247 0.000 0.786 637 G HN 0.412 nan 8.290 nan 0.000 0.533 638 L N 0.007 121.137 121.223 -0.154 0.000 2.083 638 L HA -0.046 4.297 4.340 0.004 0.000 0.209 638 L C 3.175 179.900 176.870 -0.242 0.000 1.083 638 L CA 0.632 55.369 54.840 -0.172 0.000 0.752 638 L CB -0.274 41.659 42.059 -0.210 0.000 0.899 638 L HN 0.062 nan 8.230 nan 0.000 0.433 639 R N 0.038 120.336 120.500 -0.337 0.000 2.091 639 R HA -0.142 4.201 4.340 0.004 0.000 0.238 639 R C 2.155 178.313 176.300 -0.237 0.000 1.136 639 R CA 1.867 57.770 56.100 -0.328 0.000 0.959 639 R CB -0.973 29.027 30.300 -0.500 0.000 0.856 639 R HN 0.463 nan 8.270 nan 0.000 0.437 640 V N -1.857 117.912 119.914 -0.241 0.000 3.306 640 V HA 0.058 4.180 4.120 0.004 0.000 0.264 640 V C 1.918 177.920 176.094 -0.153 0.000 1.149 640 V CA 0.942 63.137 62.300 -0.175 0.000 1.143 640 V CB -0.449 31.271 31.823 -0.172 0.000 0.767 640 V HN 0.079 nan 8.190 nan 0.000 0.476 641 L N 1.429 122.540 121.223 -0.186 0.000 2.558 641 L HA 0.496 4.839 4.340 0.004 0.000 0.225 641 L C 1.707 178.514 176.870 -0.105 0.000 1.128 641 L CA 0.758 55.501 54.840 -0.162 0.000 0.868 641 L CB -0.403 41.523 42.059 -0.221 0.000 1.006 641 L HN 0.604 nan 8.230 nan 0.000 0.454 642 G N 0.261 109.003 108.800 -0.095 0.000 2.203 642 G HA2 -0.225 3.737 3.960 0.004 0.000 0.231 642 G HA3 -0.225 3.737 3.960 0.004 0.000 0.231 642 G C 0.632 175.510 174.900 -0.037 0.000 1.058 642 G CA 0.149 45.215 45.100 -0.057 0.000 0.781 642 G HN 0.376 nan 8.290 nan 0.000 0.496 643 A N -0.561 122.226 122.820 -0.056 0.000 2.251 643 A HA 0.367 4.689 4.320 0.004 0.000 0.209 643 A C 1.129 178.709 177.584 -0.007 0.000 1.187 643 A CA 0.406 52.429 52.037 -0.024 0.000 0.823 643 A CB -0.052 18.901 19.000 -0.078 0.000 0.846 643 A HN 0.449 nan 8.150 nan 0.000 0.486 644 N N 0.629 119.318 118.700 -0.019 0.000 2.412 644 N HA 0.172 4.914 4.740 0.004 0.000 0.258 644 N C -0.078 175.459 175.510 0.046 0.000 1.236 644 N CA 0.224 53.283 53.050 0.016 0.000 0.882 644 N CB 0.661 39.149 38.487 0.002 0.000 1.066 644 N HN 0.053 nan 8.380 nan 0.000 0.465 645 V N 1.683 121.644 119.914 0.079 0.000 2.694 645 V HA 0.122 4.244 4.120 0.004 0.000 0.306 645 V C 1.577 177.715 176.094 0.074 0.000 1.054 645 V CA 0.994 63.334 62.300 0.066 0.000 1.161 645 V CB 0.265 32.119 31.823 0.053 0.000 0.916 645 V HN 0.977 nan 8.190 nan 0.000 0.490 646 G N 3.701 112.532 108.800 0.053 0.000 2.168 646 G HA2 -0.326 3.636 3.960 0.004 0.000 0.257 646 G HA3 -0.326 3.636 3.960 0.004 0.000 0.257 646 G C 0.319 175.235 174.900 0.026 0.000 0.997 646 G CA 0.459 45.586 45.100 0.046 0.000 0.708 646 G HN 1.089 nan 8.290 nan 0.000 0.520 647 Q N -1.374 118.439 119.800 0.021 0.000 2.461 647 Q HA -0.180 4.162 4.340 0.004 0.000 0.273 647 Q C 0.946 176.940 176.000 -0.010 0.000 1.163 647 Q CA 1.394 57.201 55.803 0.007 0.000 0.929 647 Q CB -2.017 26.727 28.738 0.009 0.000 1.334 647 Q HN 1.432 nan 8.270 nan 0.000 0.499 648 S N -0.291 115.399 115.700 -0.017 0.000 2.558 648 S HA 0.075 4.547 4.470 0.004 0.000 0.288 648 S C 1.182 175.741 174.600 -0.068 0.000 1.318 648 S CA -0.275 57.879 58.200 -0.077 0.000 1.056 648 S CB 0.579 63.742 63.200 -0.063 0.000 0.853 648 S HN 0.329 nan 8.310 nan 0.000 0.505 649 R N 2.236 122.671 120.500 -0.109 0.000 2.299 649 R HA 0.054 4.396 4.340 0.004 0.000 0.197 649 R C -0.035 176.331 176.300 0.111 0.000 0.971 649 R CA 0.165 56.273 56.100 0.014 0.000 1.030 649 R CB -0.560 29.776 30.300 0.061 0.000 0.932 649 R HN 0.662 nan 8.270 nan 0.000 0.477 650 H N 0.769 119.896 119.070 0.095 0.000 3.004 650 H HA 0.093 4.651 4.556 0.004 0.000 0.316 650 H C 1.532 176.821 175.328 -0.064 0.000 1.014 650 H CA 0.850 56.959 56.048 0.103 0.000 1.454 650 H CB 0.352 30.180 29.762 0.110 0.000 1.472 650 H HN 0.420 nan 8.280 nan 0.000 0.571 651 G N 2.603 111.343 108.800 -0.100 0.000 2.189 651 G HA2 -0.299 3.663 3.960 0.004 0.000 0.267 651 G HA3 -0.299 3.663 3.960 0.004 0.000 0.267 651 G C 0.415 174.745 174.900 -0.950 0.000 0.975 651 G CA 0.359 44.945 45.100 -0.857 0.000 0.644 651 G HN 0.549 nan 8.290 nan 0.000 0.537 652 V N 1.854 121.532 119.914 -0.393 0.000 2.008 652 V HA 0.311 4.433 4.120 0.004 0.000 0.262 652 V C 0.678 176.700 176.094 -0.120 0.000 1.580 652 V CA -0.046 62.136 62.300 -0.197 0.000 1.515 652 V CB -0.874 30.934 31.823 -0.026 0.000 1.474 652 V HN 0.341 nan 8.190 nan 0.000 0.504 653 F N 1.889 121.621 119.950 -0.362 0.000 2.640 653 F HA 0.393 4.923 4.527 0.005 0.000 0.354 653 F C 0.906 176.288 175.800 -0.697 0.000 1.213 653 F CA -0.147 57.185 58.000 -1.113 0.000 1.314 653 F CB 0.303 38.570 39.000 -1.222 0.000 1.679 653 F HN 0.375 nan 8.300 nan 0.000 0.622 654 T N -0.151 114.358 114.554 -0.076 0.000 2.885 654 T HA 0.553 4.905 4.350 0.004 0.000 0.322 654 T C -0.082 174.776 174.700 0.263 0.000 1.387 654 T CA -0.237 61.926 62.100 0.104 0.000 1.041 654 T CB 1.672 70.545 68.868 0.008 0.000 1.287 654 T HN 0.233 nan 8.240 nan 0.000 0.491 655 A N 2.960 125.914 122.820 0.223 0.000 2.423 655 A HA 0.358 4.680 4.320 0.004 0.000 0.246 655 A C 0.845 178.484 177.584 0.092 0.000 1.278 655 A CA -0.257 51.878 52.037 0.164 0.000 0.903 655 A CB -0.086 18.998 19.000 0.139 0.000 0.997 655 A HN 0.660 nan 8.150 nan 0.000 0.510 656 R N 0.422 120.964 120.500 0.070 0.000 2.674 656 R HA 0.354 4.696 4.340 0.004 0.000 0.270 656 R C -0.617 175.691 176.300 0.014 0.000 1.492 656 R CA -0.418 55.704 56.100 0.037 0.000 1.624 656 R CB -0.132 30.187 30.300 0.031 0.000 1.307 656 R HN 0.340 nan 8.270 nan 0.000 0.683 657 E N 1.892 122.103 120.200 0.018 0.000 2.437 657 E HA -0.132 4.220 4.350 0.004 0.000 0.263 657 E C -0.240 176.346 176.600 -0.024 0.000 1.030 657 E CA 0.729 57.124 56.400 -0.008 0.000 0.934 657 E CB 0.452 30.154 29.700 0.003 0.000 0.943 657 E HN 0.475 nan 8.360 nan 0.000 0.444 658 Q N -1.310 118.460 119.800 -0.051 0.000 2.460 658 Q HA -0.256 4.086 4.340 0.004 0.000 0.248 658 Q C -1.131 174.834 176.000 -0.059 0.000 0.847 658 Q CA 0.606 56.372 55.803 -0.061 0.000 1.214 658 Q CB -1.715 26.998 28.738 -0.041 0.000 1.523 658 Q HN 0.477 nan 8.270 nan 0.000 0.602 659 A N 0.777 123.566 122.820 -0.053 0.000 2.331 659 A HA 0.636 4.958 4.320 0.004 0.000 0.320 659 A C -0.485 177.063 177.584 -0.060 0.000 1.138 659 A CA -0.603 51.411 52.037 -0.037 0.000 0.790 659 A CB 1.045 20.044 19.000 -0.002 0.000 1.206 659 A HN 0.182 nan 8.150 nan 0.000 0.470 660 L N 3.944 125.127 121.223 -0.067 0.000 2.401 660 L HA 0.452 4.794 4.340 0.004 0.000 0.283 660 L C 0.595 177.495 176.870 0.051 0.000 1.151 660 L CA 0.891 55.679 54.840 -0.087 0.000 0.942 660 L CB -0.378 41.567 42.059 -0.191 0.000 1.283 660 L HN 0.833 nan 8.230 nan 0.000 0.442 661 T N 0.170 114.746 114.554 0.036 0.000 2.887 661 T HA 0.390 4.742 4.350 0.004 0.000 0.292 661 T C 0.578 175.017 174.700 -0.435 0.000 1.087 661 T CA -0.560 61.523 62.100 -0.028 0.000 1.009 661 T CB 1.222 70.078 68.868 -0.020 0.000 1.203 661 T HN 0.482 nan 8.240 nan 0.000 0.518 662 N N 0.136 118.524 118.700 -0.519 0.000 2.362 662 N HA 0.037 4.779 4.740 0.004 0.000 0.211 662 N C 0.310 175.694 175.510 -0.210 0.000 1.170 662 N CA -0.072 52.593 53.050 -0.642 0.000 0.828 662 N CB -0.380 37.931 38.487 -0.293 0.000 1.034 662 N HN 0.555 nan 8.380 nan 0.000 0.475 663 D N 0.638 120.925 120.400 -0.189 0.000 2.158 663 D HA -0.185 4.457 4.640 0.004 0.000 0.197 663 D C 1.210 177.418 176.300 -0.152 0.000 0.995 663 D CA 0.747 54.682 54.000 -0.109 0.000 0.846 663 D CB -0.338 40.418 40.800 -0.074 0.000 0.941 663 D HN 0.377 nan 8.370 nan 0.000 0.456 664 F N 0.240 119.946 119.950 -0.408 0.000 2.095 664 F HA -0.219 4.311 4.527 0.004 0.000 0.298 664 F C 1.899 177.440 175.800 -0.431 0.000 1.104 664 F CA 1.450 59.146 58.000 -0.506 0.000 1.232 664 F CB -0.408 38.070 39.000 -0.870 0.000 0.987 664 F HN -0.102 nan 8.300 nan 0.000 0.475 665 F N -0.557 119.347 119.950 -0.077 0.000 2.163 665 F HA -0.106 4.423 4.527 0.004 0.000 0.297 665 F C 2.308 178.035 175.800 -0.122 0.000 1.094 665 F CA 1.142 59.087 58.000 -0.092 0.000 1.290 665 F CB -1.106 37.921 39.000 0.046 0.000 1.017 665 F HN -0.234 nan 8.300 nan 0.000 0.483 666 V N 0.387 120.339 119.914 0.064 0.000 2.295 666 V HA -0.269 3.853 4.120 0.004 0.000 0.246 666 V C 2.108 178.180 176.094 -0.037 0.000 1.049 666 V CA 1.913 64.231 62.300 0.029 0.000 1.024 666 V CB -0.608 31.235 31.823 0.032 0.000 0.648 666 V HN 0.348 nan 8.190 nan 0.000 0.447 667 N N 0.029 118.654 118.700 -0.126 0.000 2.171 667 N HA -0.093 4.649 4.740 0.004 0.000 0.184 667 N C 1.754 177.070 175.510 -0.323 0.000 1.021 667 N CA 1.206 54.141 53.050 -0.192 0.000 0.854 667 N CB -0.432 37.834 38.487 -0.369 0.000 0.994 667 N HN 0.385 nan 8.380 nan 0.000 0.426 668 L N 1.327 122.264 121.223 -0.478 0.000 2.043 668 L HA -0.073 4.269 4.340 0.004 0.000 0.212 668 L C 1.670 178.433 176.870 -0.180 0.000 1.075 668 L CA 1.548 56.102 54.840 -0.476 0.000 0.752 668 L CB -0.475 41.231 42.059 -0.589 0.000 0.891 668 L HN 0.124 nan 8.230 nan 0.000 0.432 669 L N -0.617 120.552 121.223 -0.089 0.000 2.591 669 L HA 0.089 4.431 4.340 0.004 0.000 0.228 669 L C 0.232 177.115 176.870 0.023 0.000 1.133 669 L CA -0.244 54.593 54.840 -0.006 0.000 0.880 669 L CB -0.535 41.543 42.059 0.032 0.000 1.033 669 L HN 0.210 nan 8.230 nan 0.000 0.450 670 D N 0.822 121.238 120.400 0.028 0.000 2.346 670 D HA -0.044 4.598 4.640 0.004 0.000 0.260 670 D C 0.915 177.255 176.300 0.067 0.000 1.252 670 D CA 0.037 54.065 54.000 0.048 0.000 0.895 670 D CB 1.203 42.039 40.800 0.060 0.000 1.097 670 D HN -0.089 nan 8.370 nan 0.000 0.489 671 M N 3.451 123.079 119.600 0.046 0.000 2.630 671 M HA 0.155 4.638 4.480 0.004 0.000 0.254 671 M C 1.767 178.080 176.300 0.022 0.000 1.092 671 M CA 0.708 56.034 55.300 0.044 0.000 1.087 671 M CB -0.313 32.304 32.600 0.028 0.000 1.453 671 M HN 0.438 nan 8.290 nan 0.000 0.509 672 G N -0.786 108.021 108.800 0.011 0.000 2.625 672 G HA2 -0.061 3.901 3.960 0.004 0.000 0.214 672 G HA3 -0.061 3.901 3.960 0.004 0.000 0.214 672 G C 0.311 175.180 174.900 -0.053 0.000 1.132 672 G CA 0.627 45.717 45.100 -0.018 0.000 0.782 672 G HN 0.459 nan 8.290 nan 0.000 0.538 673 T N 0.056 114.580 114.554 -0.050 0.000 2.779 673 T HA 0.461 4.813 4.350 0.004 0.000 0.280 673 T C -0.719 173.875 174.700 -0.177 0.000 0.987 673 T CA -0.498 61.497 62.100 -0.175 0.000 0.966 673 T CB 2.532 71.282 68.868 -0.197 0.000 0.933 673 T HN 0.267 nan 8.240 nan 0.000 0.442 674 E N 2.262 122.307 120.200 -0.258 0.000 2.191 674 E HA 0.408 4.760 4.350 0.004 0.000 0.278 674 E C -1.334 175.083 176.600 -0.305 0.000 0.972 674 E CA -0.833 55.483 56.400 -0.141 0.000 0.804 674 E CB 1.044 30.703 29.700 -0.068 0.000 1.110 674 E HN 0.546 nan 8.360 nan 0.000 0.394 675 W N 3.190 124.502 121.300 0.019 0.000 2.573 675 W HA 0.479 5.141 4.660 0.003 0.000 0.326 675 W C -0.327 176.257 176.519 0.109 0.000 1.049 675 W CA -0.614 56.768 57.345 0.062 0.000 1.220 675 W CB 1.576 31.044 29.460 0.013 0.000 1.373 675 W HN 0.286 nan 8.180 nan 0.000 0.507 676 K N 3.341 123.968 120.400 0.378 0.000 2.502 676 K HA 0.408 4.730 4.320 0.004 0.000 0.257 676 K C -2.649 174.165 176.600 0.355 0.000 0.938 676 K CA -1.932 54.545 56.287 0.316 0.000 0.819 676 K CB 2.702 35.290 32.500 0.147 0.000 1.333 676 K HN 0.048 nan 8.250 nan 0.000 0.434 677 P HA -0.017 nan 4.420 nan 0.000 0.274 677 P C -0.335 176.905 177.300 -0.099 0.000 1.231 677 P CA -0.206 62.788 63.100 -0.176 0.000 0.790 677 P CB 0.491 32.033 31.700 -0.263 0.000 0.951 678 T N -1.640 112.814 114.554 -0.167 0.000 2.868 678 T HA 0.379 4.731 4.350 0.004 0.000 0.292 678 T C 1.497 176.150 174.700 -0.077 0.000 1.028 678 T CA -0.049 62.002 62.100 -0.083 0.000 1.059 678 T CB 0.594 69.422 68.868 -0.066 0.000 0.991 678 T HN 0.409 nan 8.240 nan 0.000 0.531 679 A N 1.940 124.735 122.820 -0.041 0.000 1.877 679 A HA 0.212 4.534 4.320 0.004 0.000 0.216 679 A C 2.650 180.212 177.584 -0.036 0.000 1.186 679 A CA 1.648 53.666 52.037 -0.032 0.000 0.620 679 A CB -1.508 17.482 19.000 -0.017 0.000 0.822 679 A HN 1.266 nan 8.150 nan 0.000 0.443 680 A N -1.618 121.183 122.820 -0.032 0.000 1.969 680 A HA 0.046 4.368 4.320 0.004 0.000 0.218 680 A C 0.837 178.395 177.584 -0.043 0.000 1.169 680 A CA 1.661 53.681 52.037 -0.028 0.000 0.635 680 A CB -0.079 18.913 19.000 -0.013 0.000 0.810 680 A HN 0.422 nan 8.150 nan 0.000 0.445 681 D N -2.469 117.889 120.400 -0.071 0.000 2.365 681 D HA 0.508 5.150 4.640 0.004 0.000 0.235 681 D C 0.357 176.547 176.300 -0.184 0.000 1.368 681 D CA 0.275 54.215 54.000 -0.100 0.000 1.001 681 D CB 1.157 41.910 40.800 -0.077 0.000 1.364 681 D HN 0.048 nan 8.370 nan 0.000 0.577 682 A N 2.941 125.656 122.820 -0.175 0.000 2.216 682 A HA -0.074 4.248 4.320 0.004 0.000 0.214 682 A C 1.155 178.502 177.584 -0.395 0.000 1.160 682 A CA 0.891 52.779 52.037 -0.248 0.000 0.725 682 A CB 0.101 19.027 19.000 -0.123 0.000 0.784 682 A HN 0.446 nan 8.150 nan 0.000 0.472 683 D N -0.884 119.338 120.400 -0.296 0.000 2.349 683 D HA 0.203 4.845 4.640 0.004 0.000 0.214 683 D C -0.122 176.010 176.300 -0.280 0.000 1.063 683 D CA 0.361 54.229 54.000 -0.219 0.000 0.847 683 D CB 0.598 41.355 40.800 -0.073 0.000 0.933 683 D HN 0.165 nan 8.370 nan 0.000 0.513 684 V N 0.998 120.641 119.914 -0.450 0.000 2.628 684 V HA 0.433 4.555 4.120 0.004 0.000 0.306 684 V C -0.598 175.182 176.094 -0.523 0.000 1.045 684 V CA -0.733 61.356 62.300 -0.351 0.000 0.905 684 V CB 1.823 33.512 31.823 -0.223 0.000 0.997 684 V HN -0.166 nan 8.190 nan 0.000 0.436 685 F N 1.348 121.331 119.950 0.056 0.000 2.563 685 F HA 0.575 5.104 4.527 0.003 0.000 0.316 685 F C 0.282 176.272 175.800 0.316 0.000 1.076 685 F CA -0.764 57.360 58.000 0.207 0.000 0.921 685 F CB 1.817 40.982 39.000 0.275 0.000 1.209 685 F HN 0.386 nan 8.300 nan 0.000 0.462 686 E N 0.731 121.175 120.200 0.406 0.000 2.166 686 E HA 0.539 4.891 4.350 0.004 0.000 0.275 686 E C -0.328 176.248 176.600 -0.039 0.000 0.941 686 E CA -0.747 55.769 56.400 0.193 0.000 0.784 686 E CB 1.932 31.675 29.700 0.071 0.000 1.115 686 E HN 0.799 nan 8.360 nan 0.000 0.399 687 G N 3.280 111.754 108.800 -0.543 0.000 2.415 687 G HA2 0.388 4.351 3.960 0.004 0.000 0.317 687 G HA3 0.388 4.351 3.960 0.004 0.000 0.317 687 G C -0.367 174.107 174.900 -0.709 0.000 1.152 687 G CA -0.486 43.772 45.100 -1.403 0.000 0.956 687 G HN 0.330 nan 8.290 nan 0.000 0.458 688 R N 1.805 121.992 120.500 -0.521 0.000 2.664 688 R HA 0.242 4.584 4.340 0.004 0.000 0.286 688 R C -0.605 175.526 176.300 -0.282 0.000 0.967 688 R CA -0.915 54.991 56.100 -0.325 0.000 0.933 688 R CB 1.990 32.168 30.300 -0.204 0.000 1.146 688 R HN 0.567 nan 8.270 nan 0.000 0.468 689 D N 1.964 122.227 120.400 -0.228 0.000 2.487 689 D HA -0.071 4.571 4.640 0.004 0.000 0.243 689 D C 0.689 176.913 176.300 -0.126 0.000 1.154 689 D CA 0.554 54.454 54.000 -0.167 0.000 0.876 689 D CB 0.813 41.525 40.800 -0.147 0.000 1.161 689 D HN 0.424 nan 8.370 nan 0.000 0.478 690 R N 2.797 123.235 120.500 -0.102 0.000 2.120 690 R HA -0.150 4.192 4.340 0.004 0.000 0.234 690 R C 1.871 178.137 176.300 -0.058 0.000 1.123 690 R CA 1.562 57.618 56.100 -0.072 0.000 0.975 690 R CB 0.024 30.293 30.300 -0.051 0.000 0.866 690 R HN 0.514 nan 8.270 nan 0.000 0.446 691 A N -0.174 122.611 122.820 -0.058 0.000 1.911 691 A HA -0.080 4.243 4.320 0.004 0.000 0.212 691 A C 2.103 179.657 177.584 -0.050 0.000 1.189 691 A CA 1.531 53.540 52.037 -0.047 0.000 0.639 691 A CB -0.245 18.729 19.000 -0.043 0.000 0.839 691 A HN 0.435 nan 8.150 nan 0.000 0.449 692 T N -5.578 108.938 114.554 -0.062 0.000 3.023 692 T HA 0.410 4.762 4.350 0.004 0.000 0.249 692 T C 1.497 176.156 174.700 -0.067 0.000 1.050 692 T CA 1.237 63.300 62.100 -0.062 0.000 1.088 692 T CB 0.290 69.117 68.868 -0.068 0.000 0.946 692 T HN 1.688 nan 8.240 nan 0.000 0.480 693 G N 1.368 110.119 108.800 -0.082 0.000 2.176 693 G HA2 -0.259 3.703 3.960 0.004 0.000 0.253 693 G HA3 -0.259 3.703 3.960 0.004 0.000 0.253 693 G C -0.148 174.691 174.900 -0.103 0.000 0.979 693 G CA 0.239 45.287 45.100 -0.086 0.000 0.641 693 G HN 0.863 nan 8.290 nan 0.000 0.530 694 E N 0.384 120.515 120.200 -0.115 0.000 2.376 694 E HA 0.338 4.690 4.350 0.004 0.000 0.266 694 E C 0.576 177.070 176.600 -0.176 0.000 1.009 694 E CA -0.792 55.529 56.400 -0.131 0.000 0.902 694 E CB 0.291 29.909 29.700 -0.136 0.000 0.972 694 E HN 0.332 nan 8.360 nan 0.000 0.439 695 L N 5.515 126.641 121.223 -0.162 0.000 2.513 695 L HA -0.012 4.330 4.340 0.004 0.000 0.272 695 L C 0.557 177.255 176.870 -0.287 0.000 1.187 695 L CA 1.002 55.726 54.840 -0.193 0.000 0.895 695 L CB 0.479 42.466 42.059 -0.119 0.000 1.147 695 L HN 0.626 nan 8.230 nan 0.000 0.483 696 K N 3.449 123.598 120.400 -0.418 0.000 2.306 696 K HA 0.209 4.531 4.320 0.004 0.000 0.200 696 K C -0.741 175.346 176.600 -0.856 0.000 1.083 696 K CA 0.574 56.401 56.287 -0.768 0.000 0.959 696 K CB 0.350 32.299 32.500 -0.917 0.000 0.994 696 K HN 0.590 nan 8.250 nan 0.000 0.492 697 W N 0.364 121.585 121.300 -0.131 0.000 3.075 697 W HA 0.278 4.939 4.660 0.003 0.000 0.334 697 W C -0.710 175.914 176.519 0.176 0.000 1.243 697 W CA -1.010 56.383 57.345 0.081 0.000 1.170 697 W CB 0.970 30.508 29.460 0.131 0.000 1.452 697 W HN -0.196 nan 8.180 nan 0.000 0.572 698 T N -0.771 114.210 114.554 0.711 0.000 2.907 698 T HA 0.931 5.283 4.350 0.004 0.000 0.292 698 T C -0.474 174.702 174.700 0.792 0.000 1.043 698 T CA -0.591 61.915 62.100 0.677 0.000 1.003 698 T CB 1.943 71.138 68.868 0.545 0.000 1.084 698 T HN 0.974 nan 8.240 nan 0.000 0.483 699 G N 0.599 109.750 108.800 0.584 0.000 2.684 699 G HA2 0.682 4.645 3.960 0.004 0.000 0.290 699 G HA3 0.682 4.645 3.960 0.004 0.000 0.290 699 G C -0.432 174.568 174.900 0.167 0.000 1.425 699 G CA -0.347 44.970 45.100 0.361 0.000 0.822 699 G HN 1.101 nan 8.290 nan 0.000 0.482 700 T N -2.269 112.355 114.554 0.117 0.000 2.910 700 T HA 0.402 4.754 4.350 0.004 0.000 0.279 700 T C 1.377 176.191 174.700 0.190 0.000 0.989 700 T CA -0.581 61.611 62.100 0.152 0.000 0.968 700 T CB 1.744 70.658 68.868 0.076 0.000 1.135 700 T HN 0.445 nan 8.240 nan 0.000 0.562 701 R N -0.402 120.232 120.500 0.223 0.000 2.105 701 R HA -0.059 4.284 4.340 0.004 0.000 0.239 701 R C 2.280 178.576 176.300 -0.006 0.000 1.135 701 R CA 1.249 57.399 56.100 0.083 0.000 0.967 701 R CB -0.977 29.392 30.300 0.115 0.000 0.861 701 R HN 0.477 nan 8.270 nan 0.000 0.442 702 V N 1.489 121.420 119.914 0.029 0.000 2.358 702 V HA -0.218 3.904 4.120 0.004 0.000 0.246 702 V C 1.662 177.849 176.094 0.155 0.000 1.047 702 V CA 1.807 64.127 62.300 0.033 0.000 1.035 702 V CB -0.398 31.431 31.823 0.011 0.000 0.658 702 V HN 0.270 nan 8.190 nan 0.000 0.452 703 D N 0.342 120.821 120.400 0.133 0.000 2.084 703 D HA -0.124 4.518 4.640 0.004 0.000 0.194 703 D C 2.088 178.513 176.300 0.209 0.000 0.990 703 D CA 1.329 55.466 54.000 0.229 0.000 0.826 703 D CB -0.237 40.641 40.800 0.130 0.000 0.971 703 D HN 0.317 nan 8.370 nan 0.000 0.453 704 L N 0.783 121.962 121.223 -0.074 0.000 2.376 704 L HA -0.040 4.302 4.340 0.004 0.000 0.219 704 L C 2.487 179.228 176.870 -0.215 0.000 1.133 704 L CA 0.099 54.755 54.840 -0.308 0.000 0.816 704 L CB -0.145 41.526 42.059 -0.647 0.000 0.933 704 L HN -0.072 nan 8.230 nan 0.000 0.449 705 V N 0.001 119.821 119.914 -0.157 0.000 2.490 705 V HA -0.290 3.833 4.120 0.004 0.000 0.250 705 V C 2.182 178.125 176.094 -0.252 0.000 1.061 705 V CA 1.829 63.982 62.300 -0.245 0.000 1.064 705 V CB -0.358 31.258 31.823 -0.344 0.000 0.670 705 V HN 0.284 nan 8.190 nan 0.000 0.461 706 F N 0.875 120.829 119.950 0.006 0.000 2.451 706 F HA 0.072 4.601 4.527 0.003 0.000 0.299 706 F C 2.163 177.989 175.800 0.044 0.000 1.101 706 F CA 1.230 59.286 58.000 0.094 0.000 1.436 706 F CB -0.551 38.603 39.000 0.257 0.000 1.074 706 F HN 0.308 nan 8.300 nan 0.000 0.553 707 G N -2.182 106.652 108.800 0.056 0.000 3.126 707 G HA2 0.050 4.013 3.960 0.004 0.000 0.224 707 G HA3 0.050 4.013 3.960 0.004 0.000 0.224 707 G C 1.370 176.219 174.900 -0.085 0.000 1.142 707 G CA 0.730 45.803 45.100 -0.046 0.000 0.759 707 G HN 0.337 nan 8.290 nan 0.000 0.550 708 S N -0.967 114.680 115.700 -0.088 0.000 2.979 708 S HA 0.122 4.594 4.470 0.004 0.000 0.243 708 S C 0.738 175.296 174.600 -0.070 0.000 1.036 708 S CA -0.360 57.777 58.200 -0.106 0.000 0.846 708 S CB -0.313 62.796 63.200 -0.152 0.000 0.806 708 S HN 0.318 nan 8.310 nan 0.000 0.568 709 H N 2.820 121.800 119.070 -0.151 0.000 3.004 709 H HA 0.131 4.689 4.556 0.004 0.000 0.316 709 H C 1.512 176.781 175.328 -0.099 0.000 1.014 709 H CA 1.003 56.968 56.048 -0.138 0.000 1.454 709 H CB 1.199 30.866 29.762 -0.158 0.000 1.472 709 H HN 0.537 nan 8.280 nan 0.000 0.571 710 S N 2.936 118.461 115.700 -0.292 0.000 2.399 710 S HA -0.219 4.253 4.470 0.004 0.000 0.231 710 S C 1.877 176.480 174.600 0.005 0.000 1.022 710 S CA 1.312 59.422 58.200 -0.150 0.000 0.983 710 S CB -0.072 62.991 63.200 -0.229 0.000 0.803 710 S HN 0.779 nan 8.310 nan 0.000 0.480 711 Q N 0.766 120.650 119.800 0.139 0.000 2.062 711 Q HA 0.115 4.458 4.340 0.004 0.000 0.196 711 Q C 2.227 178.366 176.000 0.231 0.000 0.967 711 Q CA 1.012 56.951 55.803 0.228 0.000 0.832 711 Q CB -0.213 28.715 28.738 0.317 0.000 0.899 711 Q HN 0.583 nan 8.270 nan 0.000 0.442 712 L N 0.225 121.611 121.223 0.270 0.000 2.046 712 L HA -0.189 4.154 4.340 0.004 0.000 0.208 712 L C 2.738 179.749 176.870 0.235 0.000 1.077 712 L CA 1.328 56.268 54.840 0.167 0.000 0.747 712 L CB -0.491 41.515 42.059 -0.088 0.000 0.896 712 L HN 0.251 nan 8.230 nan 0.000 0.432 713 R N 0.354 120.959 120.500 0.175 0.000 2.120 713 R HA -0.151 4.191 4.340 0.004 0.000 0.234 713 R C 2.300 178.673 176.300 0.122 0.000 1.123 713 R CA 1.219 57.411 56.100 0.153 0.000 0.975 713 R CB -0.138 30.208 30.300 0.076 0.000 0.866 713 R HN 0.341 nan 8.270 nan 0.000 0.446 714 A N 0.963 123.842 122.820 0.097 0.000 1.933 714 A HA -0.113 4.210 4.320 0.004 0.000 0.218 714 A C 2.116 179.736 177.584 0.061 0.000 1.175 714 A CA 1.074 53.147 52.037 0.060 0.000 0.628 714 A CB -0.379 18.647 19.000 0.044 0.000 0.814 714 A HN 0.320 nan 8.150 nan 0.000 0.444 715 L N -0.940 120.355 121.223 0.120 0.000 2.072 715 L HA -0.129 4.214 4.340 0.004 0.000 0.205 715 L C 3.082 180.032 176.870 0.133 0.000 1.079 715 L CA 0.972 55.893 54.840 0.135 0.000 0.752 715 L CB -0.668 41.536 42.059 0.242 0.000 0.906 715 L HN 0.400 nan 8.230 nan 0.000 0.436 716 A N 0.088 123.041 122.820 0.223 0.000 1.940 716 A HA -0.241 4.081 4.320 0.004 0.000 0.219 716 A C 2.174 179.803 177.584 0.076 0.000 1.176 716 A CA 1.799 53.968 52.037 0.221 0.000 0.631 716 A CB -0.459 18.837 19.000 0.493 0.000 0.814 716 A HN 0.464 nan 8.150 nan 0.000 0.446 717 E N -0.505 119.732 120.200 0.063 0.000 2.077 717 E HA -0.116 4.236 4.350 0.004 0.000 0.193 717 E C 1.992 178.559 176.600 -0.055 0.000 0.989 717 E CA 1.202 57.613 56.400 0.019 0.000 0.800 717 E CB -0.247 29.463 29.700 0.016 0.000 0.746 717 E HN 0.417 nan 8.360 nan 0.000 0.452 718 V N 0.418 120.248 119.914 -0.140 0.000 2.287 718 V HA -0.281 3.842 4.120 0.004 0.000 0.248 718 V C 1.775 177.669 176.094 -0.332 0.000 1.053 718 V CA 1.859 63.991 62.300 -0.280 0.000 1.027 718 V CB -0.589 30.959 31.823 -0.458 0.000 0.646 718 V HN 0.338 nan 8.190 nan 0.000 0.447 719 Y N 0.463 120.632 120.300 -0.219 0.000 2.561 719 Y HA 0.133 4.686 4.550 0.005 0.000 0.291 719 Y C 2.269 178.067 175.900 -0.171 0.000 1.141 719 Y CA 0.690 58.616 58.100 -0.290 0.000 1.303 719 Y CB -0.213 37.790 38.460 -0.762 0.000 1.015 719 Y HN 0.320 nan 8.280 nan 0.000 0.547 720 G N -1.038 107.783 108.800 0.034 0.000 3.284 720 G HA2 0.082 4.045 3.960 0.004 0.000 0.236 720 G HA3 0.082 4.045 3.960 0.004 0.000 0.236 720 G C 0.180 175.119 174.900 0.064 0.000 1.158 720 G CA -0.153 45.021 45.100 0.123 0.000 0.774 720 G HN 0.060 nan 8.290 nan 0.000 0.545 721 S N -0.365 115.353 115.700 0.030 0.000 2.632 721 S HA 0.504 4.976 4.470 0.004 0.000 0.271 721 S C 1.629 176.250 174.600 0.035 0.000 1.260 721 S CA 0.011 58.222 58.200 0.019 0.000 1.010 721 S CB 1.693 64.887 63.200 -0.010 0.000 0.965 721 S HN 0.309 nan 8.310 nan 0.000 0.534 722 A N 1.417 124.255 122.820 0.030 0.000 2.019 722 A HA -0.131 4.191 4.320 0.004 0.000 0.219 722 A C 1.479 179.089 177.584 0.043 0.000 1.164 722 A CA 1.726 53.785 52.037 0.036 0.000 0.644 722 A CB -0.529 18.487 19.000 0.027 0.000 0.805 722 A HN 0.851 nan 8.150 nan 0.000 0.449 723 D N -1.167 119.254 120.400 0.035 0.000 2.325 723 D HA 0.360 5.002 4.640 0.004 0.000 0.225 723 D C 0.844 177.179 176.300 0.058 0.000 1.096 723 D CA 0.733 54.757 54.000 0.039 0.000 0.844 723 D CB -0.020 40.792 40.800 0.021 0.000 0.925 723 D HN 0.285 nan 8.370 nan 0.000 0.513 724 A N -0.088 122.779 122.820 0.078 0.000 2.431 724 A HA 0.117 4.440 4.320 0.004 0.000 0.239 724 A C 1.861 179.567 177.584 0.204 0.000 1.230 724 A CA 0.016 52.121 52.037 0.114 0.000 0.928 724 A CB 0.111 19.159 19.000 0.079 0.000 1.006 724 A HN 0.112 nan 8.150 nan 0.000 0.520 725 Q N 0.816 120.730 119.800 0.189 0.000 2.050 725 Q HA -0.160 4.183 4.340 0.004 0.000 0.202 725 Q C 1.709 177.862 176.000 0.255 0.000 0.980 725 Q CA 2.179 58.128 55.803 0.243 0.000 0.840 725 Q CB -0.161 28.717 28.738 0.233 0.000 0.898 725 Q HN 0.565 nan 8.270 nan 0.000 0.424 726 E N 0.310 120.648 120.200 0.230 0.000 2.072 726 E HA -0.182 4.170 4.350 0.004 0.000 0.191 726 E C 1.834 178.511 176.600 0.129 0.000 0.985 726 E CA 1.128 57.635 56.400 0.179 0.000 0.801 726 E CB -0.166 29.644 29.700 0.182 0.000 0.750 726 E HN 0.437 nan 8.360 nan 0.000 0.452 727 K N 0.194 120.688 120.400 0.157 0.000 2.032 727 K HA -0.199 4.123 4.320 0.004 0.000 0.209 727 K C 2.185 178.931 176.600 0.243 0.000 1.048 727 K CA 1.420 57.809 56.287 0.170 0.000 0.927 727 K CB -0.362 32.224 32.500 0.144 0.000 0.712 727 K HN 0.029 nan 8.250 nan 0.000 0.441 728 F N 1.323 121.401 119.950 0.212 0.000 2.069 728 F HA -0.222 4.307 4.527 0.003 0.000 0.298 728 F C 1.818 177.661 175.800 0.072 0.000 1.113 728 F CA 1.532 59.640 58.000 0.180 0.000 1.214 728 F CB -0.606 38.488 39.000 0.157 0.000 0.978 728 F HN -0.177 nan 8.300 nan 0.000 0.474 729 V N 1.506 121.295 119.914 -0.208 0.000 2.287 729 V HA -0.323 3.799 4.120 0.004 0.000 0.248 729 V C 2.704 178.676 176.094 -0.204 0.000 1.053 729 V CA 2.278 64.379 62.300 -0.332 0.000 1.027 729 V CB -0.711 30.895 31.823 -0.362 0.000 0.646 729 V HN 0.307 nan 8.190 nan 0.000 0.447 730 R N 0.016 120.460 120.500 -0.093 0.000 2.066 730 R HA -0.107 4.236 4.340 0.004 0.000 0.232 730 R C 1.987 178.267 176.300 -0.033 0.000 1.131 730 R CA 1.508 57.589 56.100 -0.032 0.000 0.955 730 R CB -1.061 29.248 30.300 0.014 0.000 0.851 730 R HN 0.514 nan 8.270 nan 0.000 0.432 731 D N 0.389 120.775 120.400 -0.025 0.000 2.149 731 D HA -0.164 4.478 4.640 0.004 0.000 0.198 731 D C 1.639 177.870 176.300 -0.115 0.000 0.990 731 D CA 0.851 54.838 54.000 -0.022 0.000 0.839 731 D CB -0.363 40.489 40.800 0.087 0.000 0.948 731 D HN 0.119 nan 8.370 nan 0.000 0.460 732 F N 1.042 120.769 119.950 -0.373 0.000 2.113 732 F HA -0.189 4.340 4.527 0.003 0.000 0.297 732 F C 2.189 177.905 175.800 -0.140 0.000 1.103 732 F CA 0.960 58.742 58.000 -0.363 0.000 1.248 732 F CB -0.186 38.407 39.000 -0.678 0.000 0.999 732 F HN -0.210 nan 8.300 nan 0.000 0.475 733 V N 0.556 120.450 119.914 -0.033 0.000 2.343 733 V HA -0.325 3.797 4.120 0.004 0.000 0.247 733 V C 2.722 178.805 176.094 -0.019 0.000 1.051 733 V CA 1.777 64.080 62.300 0.004 0.000 1.036 733 V CB -1.533 30.311 31.823 0.035 0.000 0.654 733 V HN 0.494 nan 8.190 nan 0.000 0.451 734 A N -0.569 122.221 122.820 -0.050 0.000 1.877 734 A HA -0.191 4.131 4.320 0.004 0.000 0.216 734 A C 2.467 180.001 177.584 -0.084 0.000 1.186 734 A CA 2.184 54.194 52.037 -0.046 0.000 0.620 734 A CB -0.760 18.222 19.000 -0.030 0.000 0.822 734 A HN 0.360 nan 8.150 nan 0.000 0.443 735 V N -0.759 119.067 119.914 -0.146 0.000 2.453 735 V HA -0.161 3.961 4.120 0.004 0.000 0.247 735 V C 2.020 177.995 176.094 -0.199 0.000 1.048 735 V CA 1.775 63.971 62.300 -0.172 0.000 1.049 735 V CB -0.469 31.246 31.823 -0.181 0.000 0.672 735 V HN 0.787 nan 8.190 nan 0.000 0.457 736 W N 1.175 122.177 121.300 -0.498 0.000 2.333 736 W HA -0.322 4.340 4.660 0.002 0.000 0.316 736 W C 2.271 178.675 176.519 -0.193 0.000 1.215 736 W CA 2.362 59.471 57.345 -0.394 0.000 1.278 736 W CB -0.647 28.534 29.460 -0.466 0.000 1.154 736 W HN 0.505 nan 8.180 nan 0.000 0.486 737 N N 0.934 119.598 118.700 -0.059 0.000 2.104 737 N HA -0.280 4.463 4.740 0.004 0.000 0.190 737 N C 1.950 177.331 175.510 -0.215 0.000 1.024 737 N CA 2.621 55.599 53.050 -0.121 0.000 0.853 737 N CB -0.701 37.782 38.487 -0.008 0.000 1.008 737 N HN 0.162 nan 8.380 nan 0.000 0.424 738 K N -0.084 120.201 120.400 -0.191 0.000 2.020 738 K HA -0.133 4.189 4.320 0.004 0.000 0.212 738 K C 1.684 178.105 176.600 -0.298 0.000 1.050 738 K CA 1.662 57.821 56.287 -0.213 0.000 0.929 738 K CB -0.259 32.148 32.500 -0.155 0.000 0.714 738 K HN 0.075 nan 8.250 nan 0.000 0.443 739 V N 1.404 121.119 119.914 -0.331 0.000 2.407 739 V HA -0.250 3.872 4.120 0.004 0.000 0.248 739 V C 2.451 178.258 176.094 -0.478 0.000 1.055 739 V CA 1.485 63.546 62.300 -0.397 0.000 1.049 739 V CB -0.372 31.231 31.823 -0.366 0.000 0.662 739 V HN 0.424 nan 8.190 nan 0.000 0.455 740 M N 0.260 119.542 119.600 -0.530 0.000 2.279 740 M HA -0.080 4.402 4.480 0.004 0.000 0.264 740 M C 1.342 177.429 176.300 -0.355 0.000 1.062 740 M CA 1.343 56.373 55.300 -0.450 0.000 1.099 740 M CB -1.200 31.157 32.600 -0.404 0.000 1.394 740 M HN 0.392 nan 8.290 nan 0.000 0.426 741 N N -0.059 118.419 118.700 -0.369 0.000 2.230 741 N HA 0.193 4.935 4.740 0.004 0.000 0.202 741 N C 1.532 176.735 175.510 -0.512 0.000 1.119 741 N CA 0.084 52.907 53.050 -0.378 0.000 0.851 741 N CB 0.201 38.499 38.487 -0.315 0.000 0.990 741 N HN 0.338 nan 8.380 nan 0.000 0.497 742 L N 0.739 121.583 121.223 -0.631 0.000 2.127 742 L HA -0.177 4.165 4.340 0.004 0.000 0.211 742 L C 1.183 177.274 176.870 -1.298 0.000 1.089 742 L CA 1.326 55.558 54.840 -1.014 0.000 0.757 742 L CB -0.148 41.123 42.059 -1.313 0.000 0.899 742 L HN 0.133 nan 8.230 nan 0.000 0.434 743 D N -1.847 118.041 120.400 -0.853 0.000 2.368 743 D HA -0.050 4.592 4.640 0.004 0.000 0.218 743 D C 0.850 176.827 176.300 -0.538 0.000 1.112 743 D CA -0.101 53.587 54.000 -0.520 0.000 0.834 743 D CB -0.017 40.786 40.800 0.006 0.000 0.953 743 D HN -0.001 nan 8.370 nan 0.000 0.505 744 R N 0.851 120.965 120.500 -0.644 0.000 4.680 744 R HA 0.182 4.525 4.340 0.004 0.000 0.222 744 R C 0.131 176.198 176.300 -0.389 0.000 1.803 744 R CA -0.358 55.496 56.100 -0.410 0.000 1.560 744 R CB -1.360 28.736 30.300 -0.339 0.000 1.412 744 R HN 0.259 nan 8.270 nan 0.000 0.815 745 F N 0.834 120.742 119.950 -0.071 0.000 2.546 745 F HA -0.139 4.390 4.527 0.003 0.000 0.298 745 F C 2.022 177.794 175.800 -0.048 0.000 1.120 745 F CA 0.801 58.775 58.000 -0.043 0.000 1.456 745 F CB 0.020 39.017 39.000 -0.005 0.000 1.088 745 F HN 0.242 nan 8.300 nan 0.000 0.572 746 D N 0.826 121.259 120.400 0.054 0.000 2.310 746 D HA -0.152 4.490 4.640 0.004 0.000 0.212 746 D C 1.378 177.658 176.300 -0.034 0.000 0.965 746 D CA 1.078 55.079 54.000 0.003 0.000 0.879 746 D CB -0.414 40.368 40.800 -0.029 0.000 0.921 746 D HN 0.361 nan 8.370 nan 0.000 0.510 747 L N -0.043 121.140 121.223 -0.067 0.000 2.728 747 L HA 0.421 4.763 4.340 0.004 0.000 0.238 747 L C 1.258 178.092 176.870 -0.060 0.000 1.143 747 L CA -0.530 54.263 54.840 -0.079 0.000 0.937 747 L CB 0.268 42.252 42.059 -0.125 0.000 1.225 747 L HN -0.057 nan 8.230 nan 0.000 0.507 748 A N 0.000 122.806 122.820 -0.023 0.000 2.254 748 A HA 0.000 4.322 4.320 0.004 0.000 0.244 748 A CA 0.000 52.041 52.037 0.007 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