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 1pix_1_A DATA FIRST_RESID 1 DATA SEQUENCE GFYSMPRYFQ NMPQVGKPLK KADAANEEQL KKIEEEIHQL IKEAQEAGKA DATA SEQUENCE DADVNKRGEL TALQRIEKLV EPGSWRPLNT LFNPQGNKNG SVAIVKGLGR DATA SEQUENCE VNGKWCVVVA SDNKKLAGAW VPGQAECLLR ASDTAKTLHV PLVYVLNCSG DATA SEQUENCE VKFDEQEKVY PNRRGGGTPF FRNAELNQLG IPVIVGIYGT NPAGGGYHSI DATA SEQUENCE SPTVIIAHEK ANMAVGGAGI MGGMNPKGHV DLEYANEIAD MVDRTGKTEP DATA SEQUENCE PGAVDIHYTE TGFMREVYAS EEGVLEGIKK YVGMLPKYDP EFFRVDDPKA DATA SEQUENCE PAFPADDLYS MVPLNDKRAY DIYNVIARLF DNSELHEYKK GYGPEMVTGL DATA SEQUENCE AKVNGLLVGV VANVQGLLMN YPEYKAAGSV GIGGKLYRQG LVKMNEFVTL DATA SEQUENCE CARDRLPIVW IQDTTGIDVG NDAEKAELLG LGQSLIYSIQ TSHIPQFEIT DATA SEQUENCE LRKGTAAAHY VLGGPQGNDT NAFSIGTAAT EIAVMNGETA ATAMYSRRLA DATA SEQUENCE KDRKAGKDLQ PTIDKMNNLI QAFYTKSRPK VCAELGLVDE IVDMNKIRGY DATA SEQUENCE VEAFTEAAYQ NPESICPFHQ MILPRAIREF ETFVKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.153 174.900 -1.245 0.000 0.946 1 G CA 0.000 44.639 45.100 -0.769 0.000 0.502 2 F N 1.691 121.167 119.950 -0.790 0.000 2.411 2 F HA 0.773 5.300 4.527 -0.000 0.000 0.352 2 F C -0.210 175.169 175.800 -0.702 0.000 1.123 2 F CA -1.089 56.580 58.000 -0.551 0.000 1.044 2 F CB 1.126 39.967 39.000 -0.264 0.000 1.135 2 F HN -0.004 nan 8.300 nan 0.000 0.461 3 Y N -0.225 120.129 120.300 0.090 0.000 2.602 3 Y HA 0.516 5.066 4.550 -0.000 0.000 0.342 3 Y C 0.221 176.141 175.900 0.034 0.000 1.029 3 Y CA -1.435 56.666 58.100 0.002 0.000 1.080 3 Y CB 1.631 40.046 38.460 -0.076 0.000 1.284 3 Y HN 0.342 nan 8.280 nan 0.000 0.485 4 S N 1.665 117.465 115.700 0.167 0.000 2.580 4 S HA 0.201 4.670 4.470 -0.000 0.000 0.274 4 S C -0.079 174.693 174.600 0.286 0.000 1.329 4 S CA -0.557 57.766 58.200 0.206 0.000 1.036 4 S CB 0.023 63.397 63.200 0.289 0.000 0.919 4 S HN 0.696 nan 8.310 nan 0.000 0.515 5 M N 1.434 121.177 119.600 0.239 0.000 2.722 5 M HA -0.160 4.320 4.480 -0.000 0.000 0.175 5 M C -2.081 174.301 176.300 0.137 0.000 1.116 5 M CA -0.292 55.116 55.300 0.179 0.000 0.661 5 M CB -1.339 31.330 32.600 0.114 0.000 1.168 5 M HN 0.439 nan 8.290 nan 0.000 0.800 6 P HA -0.220 nan 4.420 nan 0.000 0.216 6 P C 1.178 178.502 177.300 0.040 0.000 1.150 6 P CA 1.726 64.895 63.100 0.115 0.000 0.843 6 P CB -0.065 31.696 31.700 0.102 0.000 0.787 7 R N -1.955 118.545 120.500 -0.001 0.000 2.200 7 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 7 R C 1.580 177.767 176.300 -0.189 0.000 1.127 7 R CA 1.580 57.623 56.100 -0.095 0.000 0.989 7 R CB -1.312 28.907 30.300 -0.134 0.000 0.869 7 R HN 0.234 nan 8.270 nan 0.000 0.459 8 Y N -0.579 119.567 120.300 -0.256 0.000 2.441 8 Y HA 0.195 4.745 4.550 -0.000 0.000 0.288 8 Y C 1.355 177.027 175.900 -0.381 0.000 1.118 8 Y CA 0.704 58.546 58.100 -0.430 0.000 1.215 8 Y CB 0.377 38.302 38.460 -0.892 0.000 1.118 8 Y HN -0.072 nan 8.280 nan 0.000 0.547 9 F N -0.906 119.155 119.950 0.184 0.000 2.720 9 F HA 0.203 4.730 4.527 -0.000 0.000 0.301 9 F C 0.395 176.200 175.800 0.009 0.000 1.103 9 F CA -0.206 57.837 58.000 0.071 0.000 1.291 9 F CB 0.310 39.289 39.000 -0.035 0.000 1.086 9 F HN -0.207 nan 8.300 nan 0.000 0.592 10 Q N 0.412 120.299 119.800 0.145 0.000 2.274 10 Q HA 0.302 4.642 4.340 -0.000 0.000 0.260 10 Q C -0.464 175.555 176.000 0.031 0.000 0.974 10 Q CA -0.732 55.115 55.803 0.073 0.000 0.876 10 Q CB 1.360 30.139 28.738 0.068 0.000 1.297 10 Q HN 0.205 nan 8.270 nan 0.000 0.446 11 N N 0.990 119.699 118.700 0.015 0.000 2.727 11 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 11 N C -0.832 174.658 175.510 -0.033 0.000 1.040 11 N CA 0.159 53.203 53.050 -0.011 0.000 0.712 11 N CB -0.983 37.493 38.487 -0.019 0.000 0.912 11 N HN 0.487 nan 8.380 nan 0.000 0.545 12 M N -0.011 119.579 119.600 -0.017 0.000 2.163 12 M HA 0.270 4.750 4.480 -0.000 0.000 0.305 12 M C -1.801 174.444 176.300 -0.091 0.000 1.166 12 M CA -1.288 53.971 55.300 -0.067 0.000 1.132 12 M CB 0.028 32.642 32.600 0.024 0.000 1.413 12 M HN -0.150 nan 8.290 nan 0.000 0.478 13 P HA 0.013 nan 4.420 nan 0.000 0.266 13 P C -1.213 176.066 177.300 -0.036 0.000 1.195 13 P CA 0.357 63.391 63.100 -0.111 0.000 0.768 13 P CB 0.392 32.004 31.700 -0.147 0.000 0.838 14 Q N 0.715 120.504 119.800 -0.018 0.000 2.226 14 Q HA 0.575 4.915 4.340 -0.000 0.000 0.256 14 Q C -0.224 175.795 176.000 0.033 0.000 0.962 14 Q CA -0.931 54.888 55.803 0.026 0.000 0.887 14 Q CB 1.713 30.466 28.738 0.025 0.000 1.282 14 Q HN 0.317 nan 8.270 nan 0.000 0.449 15 V N -2.365 117.607 119.914 0.096 0.000 3.158 15 V HA 0.999 5.119 4.120 -0.000 0.000 0.311 15 V C -0.054 176.169 176.094 0.215 0.000 1.181 15 V CA -0.056 62.285 62.300 0.069 0.000 1.054 15 V CB 1.182 33.033 31.823 0.047 0.000 1.085 15 V HN 1.005 nan 8.190 nan 0.000 0.446 16 G N 0.744 109.633 108.800 0.148 0.000 2.746 16 G HA2 0.047 4.007 3.960 -0.000 0.000 0.685 16 G HA3 0.047 4.007 3.960 -0.000 0.000 0.685 16 G C -1.052 173.806 174.900 -0.071 0.000 1.350 16 G CA -0.120 45.039 45.100 0.099 0.000 0.837 16 G HN 1.134 nan 8.290 nan 0.000 0.564 17 K N 0.355 120.498 120.400 -0.428 0.000 2.509 17 K HA 0.622 4.942 4.320 -0.000 0.000 0.266 17 K C -2.779 173.299 176.600 -0.870 0.000 0.987 17 K CA -1.807 54.201 56.287 -0.466 0.000 0.868 17 K CB 2.605 35.001 32.500 -0.174 0.000 1.421 17 K HN 0.377 nan 8.250 nan 0.000 0.444 18 P HA 0.047 nan 4.420 nan 0.000 0.271 18 P C -1.128 176.070 177.300 -0.170 0.000 1.218 18 P CA -0.574 62.372 63.100 -0.257 0.000 0.780 18 P CB 0.419 32.148 31.700 0.048 0.000 0.901 19 L N 3.419 124.584 121.223 -0.096 0.000 2.315 19 L HA 0.155 4.495 4.340 -0.000 0.000 0.283 19 L C 0.798 177.663 176.870 -0.007 0.000 1.089 19 L CA 0.621 55.434 54.840 -0.046 0.000 0.833 19 L CB -0.139 41.914 42.059 -0.010 0.000 1.170 19 L HN 0.310 nan 8.230 nan 0.000 0.442 20 K N 3.916 124.311 120.400 -0.008 0.000 2.102 20 K HA 0.099 4.419 4.320 -0.000 0.000 0.208 20 K C -0.167 176.440 176.600 0.012 0.000 1.027 20 K CA 0.623 56.914 56.287 0.006 0.000 0.958 20 K CB -0.078 32.424 32.500 0.003 0.000 0.819 20 K HN 0.576 nan 8.250 nan 0.000 0.453 21 K N 1.927 122.332 120.400 0.009 0.000 2.273 21 K HA 0.456 4.776 4.320 -0.000 0.000 0.287 21 K C -0.759 175.851 176.600 0.017 0.000 1.089 21 K CA -0.447 55.848 56.287 0.013 0.000 0.909 21 K CB 1.445 33.952 32.500 0.012 0.000 1.123 21 K HN 0.021 nan 8.250 nan 0.000 0.473 22 A N 3.087 125.920 122.820 0.021 0.000 2.450 22 A HA 0.034 4.354 4.320 -0.000 0.000 0.255 22 A C -0.357 177.242 177.584 0.025 0.000 1.096 22 A CA -0.439 51.614 52.037 0.027 0.000 0.778 22 A CB 0.270 19.287 19.000 0.029 0.000 1.031 22 A HN 0.829 nan 8.150 nan 0.000 0.494 23 D N 3.011 123.429 120.400 0.030 0.000 2.518 23 D HA 0.450 5.089 4.640 -0.000 0.000 0.230 23 D C 1.254 177.571 176.300 0.028 0.000 1.138 23 D CA 0.410 54.426 54.000 0.027 0.000 0.964 23 D CB 0.621 41.438 40.800 0.029 0.000 1.011 23 D HN 0.501 nan 8.370 nan 0.000 0.517 24 A N 3.474 126.306 122.820 0.019 0.000 1.903 24 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 24 A C 2.165 179.755 177.584 0.011 0.000 1.191 24 A CA 2.199 54.242 52.037 0.011 0.000 0.638 24 A CB -0.564 18.440 19.000 0.006 0.000 0.823 24 A HN 0.578 nan 8.150 nan 0.000 0.451 25 A N -0.202 122.626 122.820 0.014 0.000 1.877 25 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 25 A C 1.997 179.595 177.584 0.023 0.000 1.186 25 A CA 2.208 54.255 52.037 0.016 0.000 0.620 25 A CB -0.802 18.207 19.000 0.016 0.000 0.822 25 A HN 0.648 nan 8.150 nan 0.000 0.443 26 N N -0.326 118.392 118.700 0.030 0.000 2.084 26 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 26 N C 1.782 177.330 175.510 0.064 0.000 1.030 26 N CA 1.907 54.981 53.050 0.041 0.000 0.849 26 N CB -0.277 38.233 38.487 0.039 0.000 1.012 26 N HN 0.644 nan 8.380 nan 0.000 0.423 27 E N 0.330 120.570 120.200 0.067 0.000 2.038 27 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 27 E C 1.737 178.336 176.600 -0.001 0.000 1.000 27 E CA 1.693 58.136 56.400 0.071 0.000 0.803 27 E CB -0.231 29.482 29.700 0.022 0.000 0.750 27 E HN 0.676 nan 8.360 nan 0.000 0.448 28 E N 0.026 120.218 120.200 -0.014 0.000 2.150 28 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 28 E C 2.128 178.731 176.600 0.005 0.000 0.985 28 E CA 1.035 57.421 56.400 -0.023 0.000 0.814 28 E CB -0.222 29.468 29.700 -0.017 0.000 0.752 28 E HN 0.406 nan 8.360 nan 0.000 0.466 29 Q N 0.649 120.463 119.800 0.025 0.000 2.083 29 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 29 Q C 2.413 178.443 176.000 0.050 0.000 0.969 29 Q CA 1.139 56.963 55.803 0.035 0.000 0.838 29 Q CB -0.034 28.726 28.738 0.037 0.000 0.900 29 Q HN 0.357 nan 8.270 nan 0.000 0.436 30 L N 0.566 121.836 121.223 0.079 0.000 2.056 30 L HA -0.188 4.151 4.340 -0.000 0.000 0.207 30 L C 2.242 179.187 176.870 0.126 0.000 1.078 30 L CA 1.231 56.144 54.840 0.121 0.000 0.749 30 L CB -0.280 41.913 42.059 0.224 0.000 0.901 30 L HN 0.123 nan 8.230 nan 0.000 0.433 31 K N 0.004 120.450 120.400 0.076 0.000 2.211 31 K HA -0.207 4.113 4.320 -0.000 0.000 0.203 31 K C 2.117 178.741 176.600 0.039 0.000 1.050 31 K CA 0.989 57.291 56.287 0.025 0.000 0.945 31 K CB -0.040 32.389 32.500 -0.118 0.000 0.732 31 K HN 0.190 nan 8.250 nan 0.000 0.451 32 K N 1.349 121.767 120.400 0.031 0.000 2.057 32 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 32 K C 1.954 178.575 176.600 0.036 0.000 1.050 32 K CA 1.030 57.336 56.287 0.031 0.000 0.935 32 K CB 0.026 32.541 32.500 0.026 0.000 0.715 32 K HN 0.044 nan 8.250 nan 0.000 0.439 33 I N 1.198 121.790 120.570 0.036 0.000 2.202 33 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 33 I C 2.110 178.231 176.117 0.006 0.000 1.091 33 I CA 1.329 62.641 61.300 0.019 0.000 1.368 33 I CB -0.204 37.805 38.000 0.015 0.000 1.058 33 I HN 0.254 nan 8.210 nan 0.000 0.410 34 E N 0.438 120.656 120.200 0.029 0.000 2.077 34 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 34 E C 2.013 178.626 176.600 0.021 0.000 0.989 34 E CA 1.334 57.733 56.400 -0.003 0.000 0.800 34 E CB -0.111 29.654 29.700 0.110 0.000 0.746 34 E HN 0.319 nan 8.360 nan 0.000 0.452 35 E N 1.517 121.786 120.200 0.115 0.000 2.118 35 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 35 E C 1.832 178.494 176.600 0.105 0.000 0.992 35 E CA 1.543 58.038 56.400 0.158 0.000 0.804 35 E CB -0.080 29.678 29.700 0.096 0.000 0.741 35 E HN 0.331 nan 8.360 nan 0.000 0.458 36 E N -0.438 119.791 120.200 0.048 0.000 2.106 36 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 36 E C 1.878 178.486 176.600 0.013 0.000 0.984 36 E CA 1.054 57.472 56.400 0.031 0.000 0.806 36 E CB -0.070 29.640 29.700 0.016 0.000 0.750 36 E HN 0.268 nan 8.360 nan 0.000 0.458 37 I N 1.436 121.984 120.570 -0.037 0.000 2.252 37 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 37 I C 2.305 178.388 176.117 -0.057 0.000 1.102 37 I CA 1.377 62.626 61.300 -0.085 0.000 1.385 37 I CB -1.447 36.444 38.000 -0.181 0.000 1.064 37 I HN 0.311 nan 8.210 nan 0.000 0.414 38 H N 0.159 119.253 119.070 0.041 0.000 2.387 38 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 38 H C 2.160 177.512 175.328 0.040 0.000 1.090 38 H CA 1.561 57.637 56.048 0.047 0.000 1.332 38 H CB -0.126 29.665 29.762 0.049 0.000 1.386 38 H HN 0.295 nan 8.280 nan 0.000 0.516 39 Q N 0.995 120.886 119.800 0.150 0.000 2.079 39 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 39 Q C 2.517 178.558 176.000 0.067 0.000 0.974 39 Q CA 0.927 56.785 55.803 0.091 0.000 0.840 39 Q CB -0.423 28.355 28.738 0.066 0.000 0.898 39 Q HN 0.423 nan 8.270 nan 0.000 0.430 40 L N -0.530 120.725 121.223 0.053 0.000 2.056 40 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 40 L C 2.287 179.187 176.870 0.050 0.000 1.078 40 L CA 0.957 55.820 54.840 0.038 0.000 0.749 40 L CB -0.409 41.662 42.059 0.021 0.000 0.901 40 L HN 0.269 nan 8.230 nan 0.000 0.433 41 I N -0.119 120.491 120.570 0.068 0.000 2.202 41 I HA -0.315 3.854 4.170 -0.000 0.000 0.242 41 I C 2.715 178.883 176.117 0.085 0.000 1.091 41 I CA 1.278 62.629 61.300 0.086 0.000 1.368 41 I CB -0.316 37.756 38.000 0.121 0.000 1.058 41 I HN 0.252 nan 8.210 nan 0.000 0.410 42 K N 1.535 121.990 120.400 0.091 0.000 2.044 42 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 42 K C 1.984 178.615 176.600 0.050 0.000 1.049 42 K CA 2.338 58.667 56.287 0.070 0.000 0.927 42 K CB -0.136 32.403 32.500 0.066 0.000 0.713 42 K HN 0.529 nan 8.250 nan 0.000 0.443 43 E N -0.267 119.960 120.200 0.045 0.000 2.152 43 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 43 E C 1.912 178.531 176.600 0.032 0.000 0.983 43 E CA 0.823 57.244 56.400 0.034 0.000 0.818 43 E CB -0.185 29.532 29.700 0.029 0.000 0.758 43 E HN 0.366 nan 8.360 nan 0.000 0.467 44 A N 1.843 124.686 122.820 0.039 0.000 1.873 44 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 44 A C 2.227 179.835 177.584 0.040 0.000 1.186 44 A CA 1.549 53.609 52.037 0.038 0.000 0.616 44 A CB -0.492 18.535 19.000 0.045 0.000 0.823 44 A HN 0.248 nan 8.150 nan 0.000 0.442 45 Q N -0.250 119.578 119.800 0.048 0.000 2.124 45 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 45 Q C 1.817 177.833 176.000 0.026 0.000 0.977 45 Q CA 1.582 57.411 55.803 0.043 0.000 0.850 45 Q CB -0.228 28.542 28.738 0.054 0.000 0.901 45 Q HN 0.961 nan 8.270 nan 0.000 0.429 46 E N 0.473 120.687 120.200 0.024 0.000 2.478 46 E HA 0.224 4.574 4.350 -0.000 0.000 0.194 46 E C 0.262 176.869 176.600 0.011 0.000 1.045 46 E CA 0.079 56.486 56.400 0.013 0.000 0.868 46 E CB 0.115 29.822 29.700 0.012 0.000 0.885 46 E HN 0.125 nan 8.360 nan 0.000 0.505 47 A N 1.462 124.292 122.820 0.016 0.000 2.520 47 A HA 0.452 4.772 4.320 -0.000 0.000 0.235 47 A C 1.009 178.600 177.584 0.011 0.000 1.065 47 A CA 0.642 52.687 52.037 0.014 0.000 0.764 47 A CB -0.314 18.696 19.000 0.017 0.000 1.002 47 A HN 0.520 nan 8.150 nan 0.000 0.502 48 G N 0.608 109.413 108.800 0.008 0.000 2.512 48 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.210 48 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.210 48 G C 0.032 174.933 174.900 0.001 0.000 1.295 48 G CA 0.045 45.148 45.100 0.005 0.000 0.934 48 G HN 1.077 nan 8.290 nan 0.000 0.554 49 K N 0.785 121.183 120.400 -0.003 0.000 2.489 49 K HA 0.483 4.803 4.320 -0.000 0.000 0.278 49 K C 0.960 177.555 176.600 -0.009 0.000 1.000 49 K CA 0.391 56.674 56.287 -0.006 0.000 1.012 49 K CB 0.203 32.697 32.500 -0.010 0.000 0.903 49 K HN 1.317 nan 8.250 nan 0.000 0.485 50 A N 3.927 126.742 122.820 -0.008 0.000 2.407 50 A HA 0.038 4.358 4.320 -0.000 0.000 0.248 50 A C 0.415 177.989 177.584 -0.016 0.000 1.082 50 A CA -0.375 51.656 52.037 -0.010 0.000 0.785 50 A CB 0.293 19.289 19.000 -0.007 0.000 1.020 50 A HN 0.930 nan 8.150 nan 0.000 0.489 51 D N 1.733 122.123 120.400 -0.018 0.000 2.133 51 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 51 D C 2.194 178.479 176.300 -0.024 0.000 0.997 51 D CA 2.198 56.183 54.000 -0.026 0.000 0.840 51 D CB -0.363 40.421 40.800 -0.026 0.000 0.947 51 D HN 0.669 nan 8.370 nan 0.000 0.452 52 A N 1.031 123.841 122.820 -0.018 0.000 1.908 52 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 52 A C 1.789 179.365 177.584 -0.015 0.000 1.181 52 A CA 1.872 53.900 52.037 -0.015 0.000 0.627 52 A CB -0.427 18.567 19.000 -0.011 0.000 0.818 52 A HN 0.101 nan 8.150 nan 0.000 0.445 53 D N -0.515 119.877 120.400 -0.014 0.000 2.183 53 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 53 D C 2.040 178.329 176.300 -0.018 0.000 0.969 53 D CA 1.251 55.244 54.000 -0.013 0.000 0.842 53 D CB -0.171 40.623 40.800 -0.011 0.000 0.957 53 D HN 0.274 nan 8.370 nan 0.000 0.484 54 V N 1.775 121.675 119.914 -0.024 0.000 2.346 54 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 54 V C 2.021 178.093 176.094 -0.036 0.000 1.037 54 V CA 1.186 63.466 62.300 -0.034 0.000 1.029 54 V CB -0.335 31.461 31.823 -0.045 0.000 0.663 54 V HN 0.120 nan 8.190 nan 0.000 0.454 55 N N 1.103 119.784 118.700 -0.033 0.000 2.270 55 N HA -0.150 4.590 4.740 -0.000 0.000 0.181 55 N C 1.836 177.335 175.510 -0.019 0.000 1.016 55 N CA 1.437 54.469 53.050 -0.030 0.000 0.870 55 N CB -0.364 38.106 38.487 -0.029 0.000 0.979 55 N HN 0.690 nan 8.380 nan 0.000 0.431 56 K N 1.304 121.695 120.400 -0.015 0.000 2.160 56 K HA -0.088 4.231 4.320 -0.000 0.000 0.206 56 K C 1.170 177.767 176.600 -0.005 0.000 1.047 56 K CA 1.171 57.453 56.287 -0.008 0.000 0.930 56 K CB -0.180 32.316 32.500 -0.007 0.000 0.720 56 K HN 0.099 nan 8.250 nan 0.000 0.450 57 R N 0.350 120.846 120.500 -0.008 0.000 2.335 57 R HA 0.111 4.451 4.340 -0.000 0.000 0.223 57 R C 0.704 177.004 176.300 0.000 0.000 0.940 57 R CA 0.357 56.455 56.100 -0.003 0.000 1.086 57 R CB 0.208 30.505 30.300 -0.006 0.000 1.073 57 R HN 0.577 nan 8.270 nan 0.000 0.504 58 G N 1.578 110.376 108.800 -0.002 0.000 2.168 58 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 58 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 58 G C -0.063 174.830 174.900 -0.011 0.000 0.977 58 G CA 0.400 45.503 45.100 0.005 0.000 0.659 58 G HN 0.488 nan 8.290 nan 0.000 0.533 59 E N -0.297 119.881 120.200 -0.037 0.000 2.214 59 E HA 0.669 5.019 4.350 -0.000 0.000 0.274 59 E C 0.576 177.120 176.600 -0.094 0.000 0.977 59 E CA -0.904 55.450 56.400 -0.077 0.000 0.827 59 E CB 0.695 30.345 29.700 -0.083 0.000 1.130 59 E HN 0.280 nan 8.360 nan 0.000 0.394 60 L N 2.086 123.223 121.223 -0.143 0.000 2.416 60 L HA 0.393 4.733 4.340 -0.000 0.000 0.262 60 L C 0.796 177.559 176.870 -0.178 0.000 1.093 60 L CA -0.765 53.986 54.840 -0.148 0.000 0.801 60 L CB 1.457 43.419 42.059 -0.162 0.000 1.191 60 L HN 0.690 nan 8.230 nan 0.000 0.459 61 T N -2.236 112.231 114.554 -0.145 0.000 2.862 61 T HA 0.414 4.764 4.350 -0.000 0.000 0.276 61 T C 1.037 175.638 174.700 -0.165 0.000 0.974 61 T CA -0.126 61.894 62.100 -0.134 0.000 0.966 61 T CB 1.522 70.335 68.868 -0.093 0.000 1.072 61 T HN 0.622 nan 8.240 nan 0.000 0.538 62 A N 0.382 123.119 122.820 -0.138 0.000 1.908 62 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 62 A C 2.361 179.845 177.584 -0.167 0.000 1.181 62 A CA 1.400 53.353 52.037 -0.141 0.000 0.627 62 A CB -1.209 17.743 19.000 -0.079 0.000 0.818 62 A HN 0.824 nan 8.150 nan 0.000 0.445 63 L N -1.040 120.095 121.223 -0.146 0.000 2.093 63 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 63 L C 2.878 179.624 176.870 -0.207 0.000 1.085 63 L CA 1.447 56.173 54.840 -0.189 0.000 0.755 63 L CB -0.469 41.516 42.059 -0.122 0.000 0.904 63 L HN 0.498 nan 8.230 nan 0.000 0.435 64 Q N -0.525 119.177 119.800 -0.162 0.000 2.083 64 Q HA -0.160 4.180 4.340 -0.000 0.000 0.198 64 Q C 2.352 178.254 176.000 -0.164 0.000 0.969 64 Q CA 1.185 56.900 55.803 -0.146 0.000 0.838 64 Q CB -0.005 28.663 28.738 -0.117 0.000 0.900 64 Q HN 0.421 nan 8.270 nan 0.000 0.436 65 R N 0.320 120.708 120.500 -0.187 0.000 2.073 65 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 65 R C 2.248 178.436 176.300 -0.186 0.000 1.134 65 R CA 1.263 57.257 56.100 -0.178 0.000 0.952 65 R CB -0.312 29.853 30.300 -0.225 0.000 0.850 65 R HN 0.242 nan 8.270 nan 0.000 0.433 66 I N 0.867 121.277 120.570 -0.268 0.000 2.208 66 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 66 I C 2.725 178.619 176.117 -0.371 0.000 1.097 66 I CA 1.135 62.198 61.300 -0.396 0.000 1.363 66 I CB -0.314 37.251 38.000 -0.726 0.000 1.051 66 I HN 0.235 nan 8.210 nan 0.000 0.413 67 E N 1.714 121.722 120.200 -0.320 0.000 2.118 67 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 67 E C 1.884 178.393 176.600 -0.151 0.000 0.992 67 E CA 1.515 57.776 56.400 -0.233 0.000 0.804 67 E CB 0.065 29.657 29.700 -0.180 0.000 0.741 67 E HN 0.485 nan 8.360 nan 0.000 0.458 68 K N -0.214 120.108 120.400 -0.131 0.000 2.400 68 K HA -0.019 4.300 4.320 -0.000 0.000 0.194 68 K C 1.948 178.501 176.600 -0.079 0.000 1.033 68 K CA 0.038 56.273 56.287 -0.087 0.000 1.021 68 K CB 0.226 32.685 32.500 -0.068 0.000 0.808 68 K HN 0.037 nan 8.250 nan 0.000 0.505 69 L N 0.802 121.966 121.223 -0.097 0.000 2.145 69 L HA 0.031 4.371 4.340 -0.000 0.000 0.201 69 L C 0.652 177.484 176.870 -0.062 0.000 1.075 69 L CA 0.695 55.493 54.840 -0.070 0.000 0.773 69 L CB 0.193 42.214 42.059 -0.064 0.000 0.936 69 L HN -0.098 nan 8.230 nan 0.000 0.451 70 V N -1.172 118.695 119.914 -0.078 0.000 2.904 70 V HA 0.322 4.442 4.120 -0.000 0.000 0.305 70 V C 0.005 176.064 176.094 -0.058 0.000 1.067 70 V CA -1.033 61.240 62.300 -0.045 0.000 1.044 70 V CB 0.634 32.479 31.823 0.036 0.000 1.050 70 V HN 0.333 nan 8.190 nan 0.000 0.475 71 E N 3.465 123.617 120.200 -0.080 0.000 2.414 71 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 71 E C -2.414 174.160 176.600 -0.045 0.000 1.000 71 E CA -1.406 54.946 56.400 -0.080 0.000 0.914 71 E CB -0.018 29.606 29.700 -0.127 0.000 0.948 71 E HN 0.618 nan 8.360 nan 0.000 0.444 72 P HA -0.101 nan 4.420 nan 0.000 0.260 72 P C 0.629 177.940 177.300 0.020 0.000 1.172 72 P CA 1.145 64.243 63.100 -0.005 0.000 0.760 72 P CB 0.332 32.028 31.700 -0.008 0.000 0.773 73 G N 2.753 111.586 108.800 0.055 0.000 2.162 73 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 73 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 73 G C 0.971 175.939 174.900 0.113 0.000 0.976 73 G CA 0.561 45.713 45.100 0.086 0.000 0.655 73 G HN 0.632 nan 8.290 nan 0.000 0.533 74 S N -1.544 114.217 115.700 0.101 0.000 2.535 74 S HA 0.156 4.626 4.470 -0.000 0.000 0.214 74 S C 0.920 175.670 174.600 0.249 0.000 0.980 74 S CA 0.049 58.309 58.200 0.100 0.000 0.907 74 S CB -0.048 63.032 63.200 -0.200 0.000 0.790 74 S HN 0.643 nan 8.310 nan 0.000 0.510 75 W N 3.401 124.715 121.300 0.023 0.000 2.308 75 W HA 0.267 4.927 4.660 -0.000 0.000 0.324 75 W C -0.668 175.847 176.519 -0.006 0.000 1.387 75 W CA -0.514 56.845 57.345 0.023 0.000 1.250 75 W CB 0.438 29.902 29.460 0.007 0.000 1.257 75 W HN 0.102 nan 8.180 nan 0.000 0.554 76 R N 6.466 126.532 120.500 -0.723 0.000 2.363 76 R HA 0.277 4.617 4.340 -0.000 0.000 0.297 76 R C -2.519 173.229 176.300 -0.920 0.000 1.208 76 R CA -2.073 53.529 56.100 -0.831 0.000 1.121 76 R CB 0.755 30.457 30.300 -0.998 0.000 1.124 76 R HN 0.247 nan 8.270 nan 0.000 0.561 77 P HA 0.043 nan 4.420 nan 0.000 0.264 77 P C -0.417 176.788 177.300 -0.158 0.000 1.183 77 P CA 0.373 63.269 63.100 -0.340 0.000 0.763 77 P CB 0.625 32.353 31.700 0.047 0.000 0.807 78 L N 3.482 124.591 121.223 -0.188 0.000 2.436 78 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 78 L C 0.477 177.299 176.870 -0.080 0.000 0.974 78 L CA -0.604 54.143 54.840 -0.156 0.000 0.826 78 L CB 1.605 43.475 42.059 -0.314 0.000 1.291 78 L HN 0.479 nan 8.230 nan 0.000 0.406 79 N N 0.007 118.679 118.700 -0.048 0.000 2.714 79 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 79 N C 1.223 176.795 175.510 0.103 0.000 1.117 79 N CA 0.688 53.744 53.050 0.009 0.000 0.719 79 N CB -0.582 37.842 38.487 -0.105 0.000 1.081 79 N HN 0.954 nan 8.380 nan 0.000 0.557 80 T N -1.861 112.745 114.554 0.087 0.000 2.699 80 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 80 T C 1.294 176.060 174.700 0.112 0.000 1.036 80 T CA 1.114 63.279 62.100 0.108 0.000 1.147 80 T CB -0.083 68.851 68.868 0.109 0.000 0.862 80 T HN 0.396 nan 8.240 nan 0.000 0.446 81 L N -0.450 120.838 121.223 0.108 0.000 2.607 81 L HA 0.415 4.755 4.340 -0.000 0.000 0.228 81 L C 0.509 177.451 176.870 0.121 0.000 1.123 81 L CA -0.680 54.214 54.840 0.089 0.000 0.890 81 L CB -0.276 41.814 42.059 0.052 0.000 1.103 81 L HN 0.182 nan 8.230 nan 0.000 0.468 82 F N 2.634 122.585 119.950 0.002 0.000 2.590 82 F HA -0.039 4.488 4.527 -0.000 0.000 0.389 82 F C 0.787 176.587 175.800 -0.000 0.000 1.049 82 F CA 0.436 58.434 58.000 -0.003 0.000 1.199 82 F CB -0.036 38.962 39.000 -0.004 0.000 1.058 82 F HN 0.070 nan 8.300 nan 0.000 0.556 83 N N 7.737 126.136 118.700 -0.501 0.000 2.679 83 N HA 0.133 4.873 4.740 -0.000 0.000 0.240 83 N C -2.154 173.087 175.510 -0.448 0.000 1.537 83 N CA -0.896 51.912 53.050 -0.404 0.000 0.793 83 N CB 0.745 39.134 38.487 -0.164 0.000 1.391 83 N HN 0.279 nan 8.380 nan 0.000 0.524 84 P HA -0.189 nan 4.420 nan 0.000 0.217 84 P C 0.436 177.597 177.300 -0.232 0.000 1.148 84 P CA 1.379 64.216 63.100 -0.438 0.000 0.828 84 P CB 0.320 31.727 31.700 -0.487 0.000 0.783 85 Q N -1.014 118.662 119.800 -0.206 0.000 2.204 85 Q HA 0.301 4.641 4.340 -0.000 0.000 0.209 85 Q C 0.640 176.588 176.000 -0.087 0.000 0.861 85 Q CA 0.127 55.862 55.803 -0.114 0.000 0.971 85 Q CB 0.079 28.769 28.738 -0.081 0.000 1.095 85 Q HN 0.223 nan 8.270 nan 0.000 0.486 86 G N 2.711 111.448 108.800 -0.105 0.000 2.372 86 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.297 86 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.297 86 G C -0.364 174.508 174.900 -0.046 0.000 1.005 86 G CA -0.133 44.924 45.100 -0.071 0.000 1.173 86 G HN 0.278 nan 8.290 nan 0.000 0.511 87 N N 0.341 119.013 118.700 -0.047 0.000 2.492 87 N HA 0.147 4.887 4.740 -0.000 0.000 0.260 87 N C 1.577 177.079 175.510 -0.014 0.000 1.215 87 N CA -0.243 52.795 53.050 -0.021 0.000 0.923 87 N CB 0.764 39.243 38.487 -0.013 0.000 1.092 87 N HN 0.156 nan 8.380 nan 0.000 0.448 88 K N 1.623 122.021 120.400 -0.003 0.000 2.113 88 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 88 K C 1.043 177.644 176.600 0.002 0.000 1.047 88 K CA 1.388 57.675 56.287 -0.000 0.000 0.928 88 K CB -0.468 32.035 32.500 0.005 0.000 0.716 88 K HN 0.662 nan 8.250 nan 0.000 0.446 89 N N -0.058 118.645 118.700 0.006 0.000 2.521 89 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 89 N C 0.914 176.429 175.510 0.009 0.000 1.146 89 N CA 0.926 53.981 53.050 0.010 0.000 0.893 89 N CB -0.239 38.257 38.487 0.015 0.000 0.975 89 N HN 0.233 nan 8.380 nan 0.000 0.451 90 G N -1.333 107.467 108.800 -0.000 0.000 2.187 90 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.261 90 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.261 90 G C -0.088 174.815 174.900 0.005 0.000 1.000 90 G CA 0.761 45.858 45.100 -0.005 0.000 0.718 90 G HN 0.792 nan 8.290 nan 0.000 0.519 91 S N -2.213 113.493 115.700 0.010 0.000 2.634 91 S HA 0.663 5.133 4.470 -0.000 0.000 0.296 91 S C 0.468 175.085 174.600 0.028 0.000 1.104 91 S CA 0.166 58.384 58.200 0.030 0.000 0.920 91 S CB 2.243 65.467 63.200 0.040 0.000 1.111 91 S HN 0.874 nan 8.310 nan 0.000 0.493 92 V N 2.817 122.766 119.914 0.058 0.000 3.319 92 V HA 0.515 4.635 4.120 -0.000 0.000 0.317 92 V C 0.875 177.020 176.094 0.086 0.000 1.411 92 V CA 0.671 63.012 62.300 0.069 0.000 1.112 92 V CB -0.490 31.406 31.823 0.122 0.000 1.031 92 V HN 1.638 nan 8.190 nan 0.000 0.448 93 A N 0.980 123.846 122.820 0.077 0.000 2.872 93 A HA -0.187 4.132 4.320 -0.000 0.000 0.273 93 A C 0.270 177.905 177.584 0.085 0.000 1.442 93 A CA 1.472 53.556 52.037 0.079 0.000 0.801 93 A CB -2.376 16.678 19.000 0.090 0.000 1.031 93 A HN 1.394 nan 8.150 nan 0.000 0.582 94 I N -4.741 115.879 120.570 0.083 0.000 2.827 94 I HA 0.773 4.943 4.170 -0.000 0.000 0.298 94 I C -0.563 175.603 176.117 0.083 0.000 1.235 94 I CA -1.402 59.944 61.300 0.077 0.000 1.021 94 I CB 2.371 40.414 38.000 0.071 0.000 1.259 94 I HN -0.021 nan 8.210 nan 0.000 0.427 95 V N 4.528 124.492 119.914 0.084 0.000 2.347 95 V HA 0.493 4.613 4.120 -0.000 0.000 0.280 95 V C -0.032 176.174 176.094 0.187 0.000 1.021 95 V CA -0.331 62.050 62.300 0.134 0.000 0.847 95 V CB 1.303 33.188 31.823 0.104 0.000 0.990 95 V HN 0.803 nan 8.190 nan 0.000 0.444 96 K N 3.286 123.800 120.400 0.190 0.000 2.340 96 K HA 0.893 5.213 4.320 -0.000 0.000 0.244 96 K C -0.208 176.402 176.600 0.017 0.000 0.973 96 K CA -0.200 56.161 56.287 0.125 0.000 0.828 96 K CB 2.451 34.938 32.500 -0.021 0.000 1.226 96 K HN 0.871 nan 8.250 nan 0.000 0.437 97 G N 1.296 109.952 108.800 -0.241 0.000 2.349 97 G HA2 0.334 4.294 3.960 -0.000 0.000 0.294 97 G HA3 0.334 4.294 3.960 -0.000 0.000 0.294 97 G C -2.373 172.109 174.900 -0.697 0.000 1.380 97 G CA -0.868 43.712 45.100 -0.866 0.000 0.811 97 G HN 0.405 nan 8.290 nan 0.000 0.519 98 L N 0.688 121.474 121.223 -0.729 0.000 2.295 98 L HA 0.850 5.190 4.340 -0.000 0.000 0.285 98 L C 0.733 177.574 176.870 -0.048 0.000 1.035 98 L CA 0.315 54.985 54.840 -0.284 0.000 0.806 98 L CB 1.434 43.284 42.059 -0.349 0.000 1.214 98 L HN 1.133 nan 8.230 nan 0.000 0.426 99 G N 3.120 112.088 108.800 0.280 0.000 2.718 99 G HA2 0.516 4.476 3.960 -0.000 0.000 0.295 99 G HA3 0.516 4.476 3.960 -0.000 0.000 0.295 99 G C -1.318 173.552 174.900 -0.051 0.000 1.421 99 G CA -0.884 44.380 45.100 0.274 0.000 0.902 99 G HN 0.368 nan 8.290 nan 0.000 0.501 100 R N 0.161 120.376 120.500 -0.476 0.000 2.265 100 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 100 R C -0.751 175.408 176.300 -0.236 0.000 1.053 100 R CA -0.416 55.329 56.100 -0.592 0.000 0.931 100 R CB 1.738 31.517 30.300 -0.867 0.000 1.024 100 R HN 0.218 nan 8.270 nan 0.000 0.457 101 V N 4.105 123.933 119.914 -0.143 0.000 2.350 101 V HA 0.122 4.242 4.120 -0.000 0.000 0.285 101 V C 0.551 176.606 176.094 -0.066 0.000 1.014 101 V CA -0.770 61.490 62.300 -0.066 0.000 0.831 101 V CB 1.090 32.910 31.823 -0.004 0.000 1.000 101 V HN 1.009 nan 8.190 nan 0.000 0.433 102 N N 4.143 122.802 118.700 -0.068 0.000 2.699 102 N HA -0.246 4.494 4.740 -0.000 0.000 0.256 102 N C 1.060 176.535 175.510 -0.058 0.000 0.993 102 N CA 0.701 53.718 53.050 -0.055 0.000 0.759 102 N CB -0.612 37.855 38.487 -0.034 0.000 0.906 102 N HN 1.427 nan 8.380 nan 0.000 0.541 103 G N -0.413 108.331 108.800 -0.093 0.000 2.176 103 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 103 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 103 G C -0.225 174.626 174.900 -0.081 0.000 0.979 103 G CA 0.786 45.836 45.100 -0.082 0.000 0.641 103 G HN 0.527 nan 8.290 nan 0.000 0.530 104 K N -0.706 119.637 120.400 -0.097 0.000 2.397 104 K HA 0.392 4.712 4.320 -0.000 0.000 0.253 104 K C -0.777 175.783 176.600 -0.067 0.000 0.932 104 K CA -0.928 55.338 56.287 -0.034 0.000 0.795 104 K CB 1.608 34.132 32.500 0.041 0.000 1.159 104 K HN 0.132 nan 8.250 nan 0.000 0.424 105 W N 2.308 123.632 121.300 0.040 0.000 2.251 105 W HA 0.111 4.771 4.660 -0.000 0.000 0.327 105 W C 0.031 176.561 176.519 0.018 0.000 1.361 105 W CA -0.107 57.249 57.345 0.019 0.000 1.234 105 W CB 0.633 30.096 29.460 0.004 0.000 1.212 105 W HN 0.401 nan 8.180 nan 0.000 0.557 106 C N 2.480 121.942 119.300 0.270 0.000 2.994 106 C HA 0.528 4.987 4.460 -0.000 0.000 0.304 106 C C -0.121 174.945 174.990 0.126 0.000 1.273 106 C CA -1.084 58.032 59.018 0.163 0.000 1.537 106 C CB 1.211 29.020 27.740 0.114 0.000 2.001 106 C HN 0.277 nan 8.230 nan 0.000 0.471 107 V N 2.730 122.678 119.914 0.056 0.000 2.406 107 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 107 V C -0.143 175.950 176.094 -0.002 0.000 1.043 107 V CA -0.020 62.270 62.300 -0.018 0.000 0.915 107 V CB 1.204 32.996 31.823 -0.053 0.000 0.988 107 V HN 0.658 nan 8.190 nan 0.000 0.466 108 V N 6.145 126.081 119.914 0.036 0.000 2.417 108 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 108 V C -0.211 175.913 176.094 0.050 0.000 1.024 108 V CA -0.565 61.795 62.300 0.100 0.000 0.861 108 V CB 1.910 33.926 31.823 0.322 0.000 0.985 108 V HN 0.562 nan 8.190 nan 0.000 0.436 109 V N 4.032 123.885 119.914 -0.102 0.000 2.407 109 V HA 0.799 4.919 4.120 -0.000 0.000 0.291 109 V C 0.143 176.199 176.094 -0.063 0.000 1.018 109 V CA -0.438 61.766 62.300 -0.161 0.000 0.842 109 V CB 1.710 33.233 31.823 -0.499 0.000 0.996 109 V HN 0.992 nan 8.190 nan 0.000 0.426 110 A N 3.553 126.384 122.820 0.019 0.000 2.318 110 A HA 0.753 5.073 4.320 -0.000 0.000 0.317 110 A C 0.171 177.782 177.584 0.045 0.000 1.159 110 A CA -0.450 51.609 52.037 0.035 0.000 0.799 110 A CB 1.105 20.099 19.000 -0.011 0.000 1.194 110 A HN 0.702 nan 8.150 nan 0.000 0.479 111 S N 1.647 117.390 115.700 0.071 0.000 2.549 111 S HA 0.095 4.565 4.470 -0.000 0.000 0.286 111 S C -0.017 174.599 174.600 0.028 0.000 1.314 111 S CA 0.060 58.303 58.200 0.072 0.000 1.062 111 S CB 0.435 63.689 63.200 0.090 0.000 0.865 111 S HN 0.699 nan 8.310 nan 0.000 0.498 112 D N 2.142 122.564 120.400 0.037 0.000 2.441 112 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 112 D C 0.846 177.150 176.300 0.006 0.000 1.156 112 D CA -0.588 53.420 54.000 0.014 0.000 0.896 112 D CB 0.052 40.870 40.800 0.029 0.000 1.028 112 D HN 0.511 nan 8.370 nan 0.000 0.509 113 N N 3.062 121.750 118.700 -0.021 0.000 2.573 113 N HA -0.150 4.590 4.740 -0.000 0.000 0.187 113 N C 0.888 176.386 175.510 -0.020 0.000 1.107 113 N CA 0.603 53.639 53.050 -0.023 0.000 0.918 113 N CB -0.110 38.346 38.487 -0.051 0.000 0.966 113 N HN 0.331 nan 8.380 nan 0.000 0.448 114 K N -0.008 120.382 120.400 -0.017 0.000 2.366 114 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 114 K C -0.046 176.553 176.600 -0.002 0.000 1.044 114 K CA 0.657 56.937 56.287 -0.012 0.000 0.973 114 K CB 0.165 32.659 32.500 -0.011 0.000 0.767 114 K HN 0.225 nan 8.250 nan 0.000 0.475 115 K N 1.474 121.878 120.400 0.007 0.000 2.414 115 K HA 0.254 4.574 4.320 -0.000 0.000 0.251 115 K C -0.561 176.047 176.600 0.013 0.000 1.037 115 K CA -0.205 56.091 56.287 0.014 0.000 0.980 115 K CB 0.826 33.342 32.500 0.027 0.000 1.280 115 K HN -0.005 nan 8.250 nan 0.000 0.451 116 L N 1.907 123.131 121.223 0.002 0.000 3.739 116 L HA -0.350 3.990 4.340 -0.000 0.000 0.442 116 L C 0.333 177.194 176.870 -0.015 0.000 1.241 116 L CA 0.585 55.418 54.840 -0.011 0.000 0.819 116 L CB -1.810 40.240 42.059 -0.016 0.000 1.679 116 L HN 0.996 nan 8.230 nan 0.000 0.889 117 A N -0.852 121.963 122.820 -0.009 0.000 2.640 117 A HA 0.057 4.377 4.320 -0.000 0.000 0.300 117 A C 1.599 179.188 177.584 0.007 0.000 1.499 117 A CA 1.358 53.391 52.037 -0.007 0.000 0.759 117 A CB -1.679 17.311 19.000 -0.015 0.000 1.048 117 A HN 2.317 nan 8.150 nan 0.000 0.450 118 G N -2.676 106.140 108.800 0.027 0.000 2.221 118 G HA2 0.169 4.129 3.960 -0.000 0.000 0.265 118 G HA3 0.169 4.129 3.960 -0.000 0.000 0.265 118 G C 0.813 175.771 174.900 0.096 0.000 1.041 118 G CA 1.052 46.191 45.100 0.066 0.000 0.807 118 G HN 2.549 nan 8.290 nan 0.000 0.502 119 A N -0.627 122.230 122.820 0.060 0.000 2.425 119 A HA 0.493 4.813 4.320 -0.000 0.000 0.242 119 A C 0.548 178.275 177.584 0.238 0.000 1.077 119 A CA -0.031 52.039 52.037 0.055 0.000 0.781 119 A CB 0.297 19.289 19.000 -0.014 0.000 1.020 119 A HN 0.662 nan 8.150 nan 0.000 0.494 120 W N 1.489 122.816 121.300 0.046 0.000 2.304 120 W HA 0.429 5.089 4.660 -0.000 0.000 0.313 120 W C 0.197 176.748 176.519 0.054 0.000 1.323 120 W CA -0.337 57.053 57.345 0.075 0.000 1.223 120 W CB 0.162 29.691 29.460 0.114 0.000 1.237 120 W HN 0.641 nan 8.180 nan 0.000 0.535 121 V N 1.917 121.975 119.914 0.239 0.000 3.001 121 V HA 0.654 4.774 4.120 -0.000 0.000 0.314 121 V C -2.582 173.566 176.094 0.089 0.000 1.099 121 V CA -3.683 58.701 62.300 0.140 0.000 0.989 121 V CB 1.658 33.537 31.823 0.095 0.000 1.040 121 V HN 0.219 nan 8.190 nan 0.000 0.434 122 P HA 0.273 nan 4.420 nan 0.000 0.260 122 P C 1.002 178.291 177.300 -0.019 0.000 1.172 122 P CA 2.148 65.260 63.100 0.020 0.000 0.760 122 P CB 0.474 32.180 31.700 0.010 0.000 0.773 123 G N 2.589 111.374 108.800 -0.025 0.000 2.258 123 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.233 123 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.233 123 G C 1.218 176.160 174.900 0.071 0.000 1.006 123 G CA 0.394 45.471 45.100 -0.037 0.000 0.620 123 G HN 0.539 nan 8.290 nan 0.000 0.511 124 Q N 0.510 120.334 119.800 0.040 0.000 2.061 124 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 124 Q C 2.971 178.964 176.000 -0.011 0.000 0.984 124 Q CA 2.525 58.354 55.803 0.044 0.000 0.846 124 Q CB -0.362 28.385 28.738 0.016 0.000 0.902 124 Q HN 1.032 nan 8.270 nan 0.000 0.421 125 A N 0.754 123.507 122.820 -0.112 0.000 1.892 125 A HA -0.279 4.040 4.320 -0.000 0.000 0.218 125 A C 1.895 179.441 177.584 -0.063 0.000 1.188 125 A CA 1.980 53.913 52.037 -0.174 0.000 0.631 125 A CB -0.833 18.024 19.000 -0.239 0.000 0.822 125 A HN 0.482 nan 8.150 nan 0.000 0.447 126 E N -0.619 119.595 120.200 0.023 0.000 2.118 126 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 126 E C 1.973 178.599 176.600 0.043 0.000 0.992 126 E CA 1.227 57.674 56.400 0.078 0.000 0.804 126 E CB -0.777 29.055 29.700 0.221 0.000 0.741 126 E HN 0.568 nan 8.360 nan 0.000 0.458 127 C N -0.467 118.905 119.300 0.120 0.000 2.440 127 C HA 0.015 4.475 4.460 -0.000 0.000 0.278 127 C C 2.461 177.409 174.990 -0.071 0.000 1.295 127 C CA 0.489 59.483 59.018 -0.041 0.000 1.738 127 C CB -1.119 26.701 27.740 0.134 0.000 1.987 127 C HN 0.458 nan 8.230 nan 0.000 0.492 128 L N 0.156 121.365 121.223 -0.024 0.000 2.109 128 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 128 L C 2.532 179.392 176.870 -0.016 0.000 1.086 128 L CA 1.135 55.972 54.840 -0.005 0.000 0.760 128 L CB -0.528 41.563 42.059 0.053 0.000 0.910 128 L HN 0.365 nan 8.230 nan 0.000 0.437 129 L N -0.653 120.545 121.223 -0.042 0.000 2.141 129 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 129 L C 2.767 179.606 176.870 -0.052 0.000 1.094 129 L CA 1.081 55.895 54.840 -0.043 0.000 0.763 129 L CB -0.464 41.562 42.059 -0.056 0.000 0.908 129 L HN 0.220 nan 8.230 nan 0.000 0.437 130 R N -0.077 120.370 120.500 -0.088 0.000 2.115 130 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 130 R C 2.433 178.684 176.300 -0.083 0.000 1.111 130 R CA 1.131 57.168 56.100 -0.105 0.000 0.976 130 R CB -0.358 29.825 30.300 -0.196 0.000 0.870 130 R HN 0.337 nan 8.270 nan 0.000 0.445 131 A N 1.285 124.051 122.820 -0.089 0.000 1.858 131 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 131 A C 2.259 179.815 177.584 -0.046 0.000 1.190 131 A CA 1.971 53.955 52.037 -0.089 0.000 0.617 131 A CB -0.607 18.322 19.000 -0.117 0.000 0.827 131 A HN 0.420 nan 8.150 nan 0.000 0.443 132 S N 0.024 115.716 115.700 -0.013 0.000 2.402 132 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 132 S C 1.404 176.003 174.600 -0.001 0.000 1.021 132 S CA 1.422 59.631 58.200 0.015 0.000 0.974 132 S CB -0.501 62.730 63.200 0.052 0.000 0.800 132 S HN 0.482 nan 8.310 nan 0.000 0.484 133 D N 1.801 122.195 120.400 -0.009 0.000 2.117 133 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 133 D C 2.058 178.366 176.300 0.013 0.000 0.987 133 D CA 1.598 55.596 54.000 -0.004 0.000 0.829 133 D CB -0.811 39.981 40.800 -0.012 0.000 0.961 133 D HN 0.433 nan 8.370 nan 0.000 0.460 134 T N 0.379 114.944 114.554 0.019 0.000 2.746 134 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 134 T C 1.972 176.698 174.700 0.043 0.000 1.039 134 T CA 1.476 63.613 62.100 0.063 0.000 1.142 134 T CB -0.286 68.607 68.868 0.043 0.000 0.866 134 T HN 0.181 nan 8.240 nan 0.000 0.444 135 A N 1.543 124.367 122.820 0.006 0.000 1.902 135 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 135 A C 2.238 179.789 177.584 -0.055 0.000 1.181 135 A CA 1.803 53.835 52.037 -0.008 0.000 0.623 135 A CB -0.499 18.497 19.000 -0.007 0.000 0.818 135 A HN 0.445 nan 8.150 nan 0.000 0.443 136 K N -0.921 119.442 120.400 -0.062 0.000 2.057 136 K HA -0.120 4.199 4.320 -0.000 0.000 0.206 136 K C 2.011 178.576 176.600 -0.058 0.000 1.050 136 K CA 1.773 57.984 56.287 -0.126 0.000 0.935 136 K CB -0.330 32.133 32.500 -0.061 0.000 0.715 136 K HN 0.436 nan 8.250 nan 0.000 0.439 137 T N 1.716 116.284 114.554 0.024 0.000 2.746 137 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 137 T C 1.666 176.432 174.700 0.109 0.000 1.039 137 T CA 1.238 63.387 62.100 0.081 0.000 1.142 137 T CB -0.011 68.912 68.868 0.091 0.000 0.866 137 T HN 0.185 nan 8.240 nan 0.000 0.444 138 L N -0.689 120.584 121.223 0.083 0.000 2.567 138 L HA 0.232 4.572 4.340 -0.000 0.000 0.225 138 L C 0.291 177.233 176.870 0.120 0.000 1.119 138 L CA 0.115 54.989 54.840 0.058 0.000 0.871 138 L CB -0.378 41.701 42.059 0.033 0.000 1.036 138 L HN 0.355 nan 8.230 nan 0.000 0.459 139 H N -0.796 118.281 119.070 0.012 0.000 2.748 139 H HA -0.112 4.444 4.556 -0.000 0.000 0.322 139 H C -0.511 174.846 175.328 0.047 0.000 1.208 139 H CA 0.585 56.649 56.048 0.027 0.000 1.151 139 H CB -1.145 28.627 29.762 0.016 0.000 1.505 139 H HN 0.185 nan 8.280 nan 0.000 0.429 140 V N -2.742 117.217 119.914 0.076 0.000 2.960 140 V HA 0.799 4.918 4.120 -0.000 0.000 0.315 140 V C -2.425 173.711 176.094 0.070 0.000 1.087 140 V CA -2.661 59.699 62.300 0.100 0.000 0.982 140 V CB 2.628 34.522 31.823 0.119 0.000 1.039 140 V HN -0.036 nan 8.190 nan 0.000 0.437 141 P HA 0.291 nan 4.420 nan 0.000 0.269 141 P C -0.969 176.374 177.300 0.071 0.000 1.209 141 P CA -0.084 63.063 63.100 0.079 0.000 0.776 141 P CB 0.408 32.163 31.700 0.092 0.000 0.876 142 L N 4.268 125.536 121.223 0.074 0.000 2.287 142 L HA 0.441 4.781 4.340 -0.000 0.000 0.287 142 L C -1.146 175.783 176.870 0.100 0.000 1.022 142 L CA -0.348 54.529 54.840 0.062 0.000 0.814 142 L CB 1.250 43.359 42.059 0.083 0.000 1.217 142 L HN 0.038 nan 8.230 nan 0.000 0.420 143 V N 6.138 126.085 119.914 0.054 0.000 2.448 143 V HA 0.402 4.521 4.120 -0.000 0.000 0.295 143 V C -0.888 175.240 176.094 0.057 0.000 1.025 143 V CA -0.518 61.842 62.300 0.101 0.000 0.859 143 V CB 1.307 33.187 31.823 0.095 0.000 0.988 143 V HN 0.592 nan 8.190 nan 0.000 0.431 144 Y N 2.936 123.295 120.300 0.098 0.000 2.341 144 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 144 Y C 0.207 176.172 175.900 0.109 0.000 1.014 144 Y CA -0.586 57.573 58.100 0.099 0.000 1.111 144 Y CB 2.158 40.684 38.460 0.111 0.000 1.194 144 Y HN 0.364 nan 8.280 nan 0.000 0.462 145 V N 6.217 126.285 119.914 0.256 0.000 2.220 145 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 145 V C -0.503 175.741 176.094 0.249 0.000 1.078 145 V CA -0.573 61.869 62.300 0.237 0.000 0.872 145 V CB 0.302 32.192 31.823 0.110 0.000 1.121 145 V HN 0.478 nan 8.190 nan 0.000 0.460 146 L N 3.453 124.858 121.223 0.303 0.000 2.349 146 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 146 L C 0.370 177.386 176.870 0.244 0.000 1.115 146 L CA 0.775 55.763 54.840 0.246 0.000 0.820 146 L CB 0.707 42.877 42.059 0.186 0.000 1.135 146 L HN 0.672 nan 8.230 nan 0.000 0.445 147 N N 3.059 121.854 118.700 0.159 0.000 2.805 147 N HA 0.131 4.871 4.740 -0.000 0.000 0.216 147 N C -1.786 173.775 175.510 0.086 0.000 1.447 147 N CA -0.384 52.738 53.050 0.119 0.000 0.785 147 N CB 0.293 38.812 38.487 0.054 0.000 1.458 147 N HN 0.641 nan 8.380 nan 0.000 0.547 148 C N 2.441 121.798 119.300 0.094 0.000 2.293 148 C HA 0.438 4.898 4.460 -0.000 0.000 0.323 148 C C 1.801 176.795 174.990 0.007 0.000 1.240 148 C CA -0.338 58.729 59.018 0.081 0.000 1.497 148 C CB -0.121 27.714 27.740 0.158 0.000 2.171 148 C HN 0.695 nan 8.230 nan 0.000 0.465 149 S N 4.414 120.090 115.700 -0.041 0.000 2.522 149 S HA 0.413 4.883 4.470 -0.000 0.000 0.227 149 S C 1.123 175.586 174.600 -0.230 0.000 0.986 149 S CA 0.727 58.864 58.200 -0.104 0.000 0.929 149 S CB -0.474 62.666 63.200 -0.100 0.000 0.769 149 S HN 2.303 nan 8.310 nan 0.000 0.529 150 G N 0.693 109.278 108.800 -0.359 0.000 2.568 150 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.222 150 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.222 150 G C -0.415 174.066 174.900 -0.698 0.000 1.321 150 G CA -0.641 43.975 45.100 -0.808 0.000 0.893 150 G HN 0.876 nan 8.290 nan 0.000 0.569 151 V N 1.231 120.756 119.914 -0.648 0.000 2.752 151 V HA 0.188 4.308 4.120 -0.000 0.000 0.306 151 V C 1.290 177.257 176.094 -0.212 0.000 1.099 151 V CA 1.504 63.735 62.300 -0.116 0.000 1.240 151 V CB 1.178 33.075 31.823 0.123 0.000 0.887 151 V HN 0.820 nan 8.190 nan 0.000 0.499 152 K N 5.138 125.532 120.400 -0.009 0.000 2.244 152 K HA 0.269 4.589 4.320 -0.000 0.000 0.263 152 K C 0.848 177.486 176.600 0.063 0.000 1.103 152 K CA -0.375 55.865 56.287 -0.078 0.000 0.966 152 K CB -0.080 32.442 32.500 0.036 0.000 1.429 152 K HN 0.602 nan 8.250 nan 0.000 0.434 153 F N 1.282 121.258 119.950 0.043 0.000 2.167 153 F HA -0.385 4.142 4.527 -0.000 0.000 0.301 153 F C 1.978 177.803 175.800 0.041 0.000 1.066 153 F CA 0.545 58.563 58.000 0.031 0.000 1.285 153 F CB -0.065 38.940 39.000 0.008 0.000 1.032 153 F HN 0.676 nan 8.300 nan 0.000 0.495 154 D N 0.544 121.071 120.400 0.211 0.000 2.158 154 D HA -0.169 4.470 4.640 -0.000 0.000 0.197 154 D C 0.940 177.312 176.300 0.119 0.000 0.995 154 D CA 1.353 55.434 54.000 0.135 0.000 0.846 154 D CB -0.069 40.785 40.800 0.090 0.000 0.941 154 D HN 0.463 nan 8.370 nan 0.000 0.456 155 E N 0.190 120.468 120.200 0.131 0.000 3.157 155 E HA 0.014 4.364 4.350 -0.000 0.000 0.203 155 E C 1.221 177.916 176.600 0.159 0.000 0.982 155 E CA -0.259 56.213 56.400 0.120 0.000 1.217 155 E CB 0.822 30.579 29.700 0.096 0.000 1.123 155 E HN 0.151 nan 8.360 nan 0.000 0.457 156 Q N 2.351 122.266 119.800 0.193 0.000 2.065 156 Q HA -0.268 4.072 4.340 -0.000 0.000 0.213 156 Q C 1.784 177.932 176.000 0.247 0.000 1.012 156 Q CA 2.186 58.134 55.803 0.242 0.000 0.876 156 Q CB 0.036 28.896 28.738 0.204 0.000 0.954 156 Q HN 0.425 nan 8.270 nan 0.000 0.413 157 E N 0.348 120.656 120.200 0.180 0.000 2.463 157 E HA -0.162 4.188 4.350 -0.000 0.000 0.201 157 E C 0.981 177.662 176.600 0.135 0.000 1.045 157 E CA 1.054 57.554 56.400 0.166 0.000 0.872 157 E CB -0.121 29.646 29.700 0.112 0.000 0.797 157 E HN 0.458 nan 8.360 nan 0.000 0.538 158 K N 0.393 120.872 120.400 0.132 0.000 2.354 158 K HA 0.084 4.404 4.320 -0.000 0.000 0.194 158 K C 1.846 178.503 176.600 0.095 0.000 1.038 158 K CA 0.738 57.079 56.287 0.091 0.000 1.052 158 K CB 0.957 33.501 32.500 0.072 0.000 0.861 158 K HN 0.163 nan 8.250 nan 0.000 0.535 159 V N -2.968 117.048 119.914 0.171 0.000 3.431 159 V HA 0.097 4.217 4.120 -0.000 0.000 0.255 159 V C 1.690 177.938 176.094 0.258 0.000 1.403 159 V CA -0.254 62.156 62.300 0.182 0.000 1.101 159 V CB -0.468 31.531 31.823 0.292 0.000 0.891 159 V HN 0.143 nan 8.190 nan 0.000 0.446 160 Y N 3.819 124.271 120.300 0.254 0.000 2.177 160 Y HA 0.439 4.989 4.550 -0.000 0.000 0.291 160 Y C -0.535 175.470 175.900 0.175 0.000 1.117 160 Y CA 1.065 59.350 58.100 0.310 0.000 1.114 160 Y CB -0.998 37.629 38.460 0.279 0.000 1.017 160 Y HN 0.365 nan 8.280 nan 0.000 0.505 161 P HA 0.149 nan 4.420 nan 0.000 0.328 161 P C -0.844 176.337 177.300 -0.197 0.000 1.305 161 P CA -0.218 62.665 63.100 -0.361 0.000 0.745 161 P CB 0.656 32.331 31.700 -0.043 0.000 1.462 162 N N -1.886 116.729 118.700 -0.142 0.000 5.558 162 N HA -0.129 4.610 4.740 -0.000 0.000 0.377 162 N C 1.248 176.676 175.510 -0.137 0.000 1.295 162 N CA 0.378 53.363 53.050 -0.110 0.000 2.509 162 N CB -0.411 38.030 38.487 -0.077 0.000 0.579 162 N HN 0.397 nan 8.380 nan 0.000 0.690 163 R N 1.184 121.613 120.500 -0.119 0.000 2.127 163 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 163 R C 0.502 176.714 176.300 -0.147 0.000 1.134 163 R CA 1.441 57.458 56.100 -0.138 0.000 0.975 163 R CB -0.053 30.178 30.300 -0.114 0.000 0.865 163 R HN 0.355 nan 8.270 nan 0.000 0.447 164 R N 0.582 121.006 120.500 -0.127 0.000 2.903 164 R HA 0.217 4.557 4.340 -0.000 0.000 0.363 164 R C 0.088 176.298 176.300 -0.151 0.000 1.161 164 R CA -0.373 55.650 56.100 -0.129 0.000 1.109 164 R CB 1.527 31.772 30.300 -0.091 0.000 1.399 164 R HN 0.119 nan 8.270 nan 0.000 0.587 165 G N -0.972 107.713 108.800 -0.193 0.000 2.702 165 G HA2 0.302 4.262 3.960 -0.000 0.000 0.254 165 G HA3 0.302 4.262 3.960 -0.000 0.000 0.254 165 G C 0.938 175.608 174.900 -0.382 0.000 1.380 165 G CA -0.261 44.700 45.100 -0.231 0.000 1.042 165 G HN 0.193 nan 8.290 nan 0.000 0.557 166 G N -0.752 107.733 108.800 -0.525 0.000 2.479 166 G HA2 0.093 4.052 3.960 -0.000 0.000 0.220 166 G HA3 0.093 4.052 3.960 -0.000 0.000 0.220 166 G C 1.474 175.857 174.900 -0.863 0.000 1.115 166 G CA 1.447 45.885 45.100 -1.104 0.000 0.757 166 G HN 0.909 nan 8.290 nan 0.000 0.560 167 G N -0.209 108.324 108.800 -0.445 0.000 2.623 167 G HA2 0.024 3.984 3.960 -0.000 0.000 0.214 167 G HA3 0.024 3.984 3.960 -0.000 0.000 0.214 167 G C 1.700 176.373 174.900 -0.379 0.000 1.138 167 G CA 1.267 46.158 45.100 -0.349 0.000 0.794 167 G HN 0.340 nan 8.290 nan 0.000 0.535 168 T N 2.183 116.541 114.554 -0.327 0.000 2.746 168 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 168 T C 0.043 174.645 174.700 -0.164 0.000 1.039 168 T CA 1.284 63.285 62.100 -0.165 0.000 1.142 168 T CB -0.864 67.894 68.868 -0.183 0.000 0.866 168 T HN 0.233 nan 8.240 nan 0.000 0.444 169 P HA -0.039 nan 4.420 nan 0.000 0.219 169 P C 0.943 178.173 177.300 -0.116 0.000 1.146 169 P CA 0.996 63.947 63.100 -0.248 0.000 0.808 169 P CB -0.319 31.209 31.700 -0.287 0.000 0.779 170 F N -3.119 116.824 119.950 -0.012 0.000 2.259 170 F HA -0.085 4.441 4.527 -0.000 0.000 0.298 170 F C 1.887 177.644 175.800 -0.071 0.000 1.088 170 F CA 0.345 58.309 58.000 -0.058 0.000 1.358 170 F CB -0.831 38.127 39.000 -0.070 0.000 1.040 170 F HN -0.137 nan 8.300 nan 0.000 0.505 171 F N 0.367 120.373 119.950 0.094 0.000 2.234 171 F HA -0.054 4.473 4.527 -0.000 0.000 0.296 171 F C 2.275 178.095 175.800 0.033 0.000 1.089 171 F CA 0.734 58.766 58.000 0.053 0.000 1.343 171 F CB -0.330 38.676 39.000 0.009 0.000 1.040 171 F HN -0.260 nan 8.300 nan 0.000 0.498 172 R N 0.291 120.906 120.500 0.191 0.000 2.115 172 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 172 R C 1.672 178.034 176.300 0.103 0.000 1.111 172 R CA 0.848 57.017 56.100 0.114 0.000 0.976 172 R CB -1.269 29.075 30.300 0.073 0.000 0.870 172 R HN 0.272 nan 8.270 nan 0.000 0.445 173 N N 0.982 119.753 118.700 0.119 0.000 2.244 173 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 173 N C 1.576 177.123 175.510 0.063 0.000 1.016 173 N CA 1.376 54.492 53.050 0.110 0.000 0.866 173 N CB -0.187 38.379 38.487 0.131 0.000 0.980 173 N HN 0.213 nan 8.380 nan 0.000 0.430 174 A N 0.927 123.774 122.820 0.046 0.000 1.898 174 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 174 A C 2.138 179.744 177.584 0.037 0.000 1.181 174 A CA 1.410 53.456 52.037 0.014 0.000 0.620 174 A CB -0.507 18.478 19.000 -0.025 0.000 0.819 174 A HN 0.402 nan 8.150 nan 0.000 0.442 175 E N 0.017 120.254 120.200 0.063 0.000 2.051 175 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 175 E C 1.935 178.555 176.600 0.032 0.000 0.991 175 E CA 1.181 57.614 56.400 0.055 0.000 0.799 175 E CB -0.238 29.500 29.700 0.064 0.000 0.748 175 E HN 0.613 nan 8.360 nan 0.000 0.449 176 L N 0.623 121.863 121.223 0.029 0.000 2.012 176 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 176 L C 2.304 179.181 176.870 0.012 0.000 1.073 176 L CA 1.738 56.581 54.840 0.006 0.000 0.748 176 L CB -0.562 41.511 42.059 0.024 0.000 0.891 176 L HN 0.214 nan 8.230 nan 0.000 0.431 177 N N -0.501 118.214 118.700 0.024 0.000 2.043 177 N HA -0.235 4.505 4.740 -0.000 0.000 0.193 177 N C 1.837 177.361 175.510 0.024 0.000 1.037 177 N CA 1.264 54.327 53.050 0.022 0.000 0.851 177 N CB -0.100 38.394 38.487 0.012 0.000 1.027 177 N HN 0.319 nan 8.380 nan 0.000 0.422 178 Q N -0.047 119.768 119.800 0.025 0.000 2.234 178 Q HA -0.050 4.290 4.340 -0.000 0.000 0.206 178 Q C 1.342 177.366 176.000 0.039 0.000 0.980 178 Q CA 0.772 56.593 55.803 0.029 0.000 0.869 178 Q CB -0.001 28.755 28.738 0.031 0.000 0.912 178 Q HN 0.445 nan 8.270 nan 0.000 0.436 179 L N -0.970 120.277 121.223 0.039 0.000 2.591 179 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 179 L C 0.938 177.866 176.870 0.097 0.000 1.133 179 L CA 0.301 55.180 54.840 0.065 0.000 0.880 179 L CB 0.045 42.119 42.059 0.025 0.000 1.033 179 L HN 0.402 nan 8.230 nan 0.000 0.450 180 G N 1.133 109.973 108.800 0.066 0.000 2.137 180 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 180 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 180 G C 0.055 175.003 174.900 0.081 0.000 1.002 180 G CA -0.217 44.931 45.100 0.081 0.000 0.702 180 G HN 0.313 nan 8.290 nan 0.000 0.515 181 I N 1.360 121.949 120.570 0.031 0.000 2.359 181 I HA 0.284 4.454 4.170 -0.000 0.000 0.284 181 I C -2.190 173.946 176.117 0.032 0.000 1.018 181 I CA -2.436 58.870 61.300 0.009 0.000 1.173 181 I CB 1.883 39.824 38.000 -0.099 0.000 1.326 181 I HN -0.147 nan 8.210 nan 0.000 0.462 182 P HA 0.105 nan 4.420 nan 0.000 0.271 182 P C -0.778 176.568 177.300 0.077 0.000 1.218 182 P CA -0.133 63.005 63.100 0.063 0.000 0.780 182 P CB 0.855 32.600 31.700 0.074 0.000 0.901 183 V N 4.762 124.726 119.914 0.085 0.000 2.444 183 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 183 V C -0.048 176.117 176.094 0.118 0.000 1.022 183 V CA -0.492 61.884 62.300 0.127 0.000 0.850 183 V CB 1.414 33.326 31.823 0.149 0.000 0.992 183 V HN 0.363 nan 8.190 nan 0.000 0.426 184 I N 5.281 125.937 120.570 0.144 0.000 2.433 184 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 184 I C -0.243 175.970 176.117 0.160 0.000 1.001 184 I CA -0.681 60.691 61.300 0.121 0.000 1.119 184 I CB 1.743 39.818 38.000 0.124 0.000 1.289 184 I HN 0.378 nan 8.210 nan 0.000 0.438 185 V N 4.589 124.572 119.914 0.114 0.000 2.735 185 V HA 0.908 5.028 4.120 -0.000 0.000 0.310 185 V C -0.285 175.862 176.094 0.089 0.000 1.061 185 V CA -0.242 62.143 62.300 0.141 0.000 0.913 185 V CB 2.197 34.081 31.823 0.102 0.000 1.005 185 V HN 0.912 nan 8.190 nan 0.000 0.428 186 G N 6.253 115.123 108.800 0.117 0.000 2.557 186 G HA2 0.640 4.600 3.960 -0.000 0.000 0.310 186 G HA3 0.640 4.600 3.960 -0.000 0.000 0.310 186 G C -0.830 174.094 174.900 0.041 0.000 1.328 186 G CA -0.563 44.560 45.100 0.038 0.000 0.945 186 G HN 1.127 nan 8.290 nan 0.000 0.494 187 I N 0.046 120.574 120.570 -0.071 0.000 2.460 187 I HA 0.828 4.998 4.170 -0.000 0.000 0.298 187 I C -1.417 174.610 176.117 -0.149 0.000 0.989 187 I CA -1.262 60.041 61.300 0.005 0.000 1.173 187 I CB 1.806 39.828 38.000 0.037 0.000 1.338 187 I HN 0.345 nan 8.210 nan 0.000 0.456 188 Y N 3.225 123.558 120.300 0.055 0.000 2.512 188 Y HA 0.757 5.307 4.550 -0.000 0.000 0.348 188 Y C 0.844 176.752 175.900 0.013 0.000 0.990 188 Y CA 0.024 58.132 58.100 0.015 0.000 1.033 188 Y CB 1.711 40.133 38.460 -0.062 0.000 1.259 188 Y HN 1.121 nan 8.280 nan 0.000 0.461 189 G N 0.770 109.668 108.800 0.163 0.000 2.569 189 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.259 189 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.259 189 G C -0.601 174.351 174.900 0.087 0.000 1.263 189 G CA -0.270 44.891 45.100 0.101 0.000 0.928 189 G HN 0.668 nan 8.290 nan 0.000 0.572 190 T N 2.185 116.776 114.554 0.061 0.000 2.806 190 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 190 T C 0.192 174.918 174.700 0.043 0.000 0.966 190 T CA -0.329 61.800 62.100 0.049 0.000 1.060 190 T CB 0.709 69.596 68.868 0.031 0.000 0.927 190 T HN 0.553 nan 8.240 nan 0.000 0.485 191 N N 4.553 123.280 118.700 0.045 0.000 2.750 191 N HA 0.238 4.978 4.740 -0.000 0.000 0.253 191 N C -2.965 172.562 175.510 0.027 0.000 1.408 191 N CA -0.949 52.124 53.050 0.040 0.000 0.780 191 N CB 2.438 40.961 38.487 0.059 0.000 1.191 191 N HN 0.396 nan 8.380 nan 0.000 0.511 192 P HA 0.360 nan 4.420 nan 0.000 0.283 192 P C 0.409 177.716 177.300 0.011 0.000 1.271 192 P CA 0.254 63.366 63.100 0.020 0.000 0.841 192 P CB 1.850 33.562 31.700 0.020 0.000 1.122 193 A N 1.761 124.615 122.820 0.056 0.000 5.251 193 A HA -0.306 4.014 4.320 -0.000 0.000 0.334 193 A C 1.972 179.628 177.584 0.119 0.000 1.764 193 A CA 2.426 54.518 52.037 0.091 0.000 0.708 193 A CB -2.824 16.189 19.000 0.022 0.000 1.420 193 A HN 0.642 nan 8.150 nan 0.000 0.394 194 G N -1.442 107.336 108.800 -0.037 0.000 2.469 194 G HA2 0.073 4.033 3.960 -0.000 0.000 0.219 194 G HA3 0.073 4.033 3.960 -0.000 0.000 0.219 194 G C 1.802 176.894 174.900 0.319 0.000 1.150 194 G CA 2.114 47.263 45.100 0.081 0.000 0.763 194 G HN 1.973 nan 8.290 nan 0.000 0.561 195 G N 0.625 109.483 108.800 0.097 0.000 2.408 195 G HA2 0.099 4.059 3.960 -0.000 0.000 0.217 195 G HA3 0.099 4.059 3.960 -0.000 0.000 0.217 195 G C 1.751 176.724 174.900 0.121 0.000 1.150 195 G CA 1.307 46.516 45.100 0.180 0.000 0.776 195 G HN 0.598 nan 8.290 nan 0.000 0.542 196 G N -0.064 108.763 108.800 0.044 0.000 2.418 196 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G C 1.597 176.350 174.900 -0.244 0.000 1.158 196 G CA 0.812 45.867 45.100 -0.073 0.000 0.771 196 G HN 0.422 nan 8.290 nan 0.000 0.545 197 Y N -0.030 120.050 120.300 -0.367 0.000 2.352 197 Y HA 0.018 4.567 4.550 -0.000 0.000 0.292 197 Y C 2.659 178.168 175.900 -0.652 0.000 1.136 197 Y CA 1.288 58.897 58.100 -0.818 0.000 1.227 197 Y CB -0.294 37.092 38.460 -1.791 0.000 0.991 197 Y HN 0.359 nan 8.280 nan 0.000 0.545 198 H N -1.869 117.168 119.070 -0.056 0.000 2.495 198 H HA -0.090 4.466 4.556 -0.000 0.000 0.287 198 H C 2.201 177.438 175.328 -0.152 0.000 1.033 198 H CA 1.273 57.347 56.048 0.043 0.000 1.307 198 H CB 0.271 30.124 29.762 0.151 0.000 1.401 198 H HN 0.150 nan 8.280 nan 0.000 0.555 199 S N -0.193 115.483 115.700 -0.040 0.000 2.388 199 S HA -0.059 4.411 4.470 -0.000 0.000 0.223 199 S C 1.912 176.401 174.600 -0.186 0.000 1.034 199 S CA 0.691 58.836 58.200 -0.093 0.000 0.963 199 S CB 0.088 63.237 63.200 -0.086 0.000 0.827 199 S HN 0.255 nan 8.310 nan 0.000 0.481 200 I N 2.047 122.431 120.570 -0.310 0.000 2.716 200 I HA -0.039 4.131 4.170 -0.000 0.000 0.259 200 I C 2.167 178.089 176.117 -0.326 0.000 1.172 200 I CA 0.668 61.728 61.300 -0.399 0.000 1.478 200 I CB -0.283 37.361 38.000 -0.595 0.000 1.104 200 I HN 0.276 nan 8.210 nan 0.000 0.439 201 S N 0.150 115.696 115.700 -0.256 0.000 2.423 201 S HA 0.123 4.593 4.470 -0.000 0.000 0.231 201 S C -1.262 173.289 174.600 -0.082 0.000 1.014 201 S CA -0.262 57.851 58.200 -0.145 0.000 0.965 201 S CB -1.885 61.298 63.200 -0.028 0.000 0.785 201 S HN 0.251 nan 8.310 nan 0.000 0.495 202 P HA 0.224 nan 4.420 nan 0.000 0.274 202 P C 0.738 178.012 177.300 -0.043 0.000 1.260 202 P CA 0.067 63.157 63.100 -0.016 0.000 0.793 202 P CB 0.311 32.015 31.700 0.006 0.000 1.048 203 T N -1.416 113.131 114.554 -0.011 0.000 2.809 203 T HA 0.040 4.390 4.350 -0.000 0.000 0.260 203 T C 0.665 175.331 174.700 -0.057 0.000 1.039 203 T CA 0.943 63.028 62.100 -0.025 0.000 1.141 203 T CB -0.047 68.827 68.868 0.010 0.000 0.869 203 T HN 0.116 nan 8.240 nan 0.000 0.437 204 V N 1.840 121.718 119.914 -0.061 0.000 2.540 204 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 204 V C -0.740 175.282 176.094 -0.119 0.000 1.035 204 V CA -0.960 61.255 62.300 -0.141 0.000 0.873 204 V CB 1.922 33.609 31.823 -0.225 0.000 0.992 204 V HN 0.306 nan 8.190 nan 0.000 0.428 205 I N 5.826 126.319 120.570 -0.129 0.000 2.354 205 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 205 I C -0.806 175.282 176.117 -0.049 0.000 1.007 205 I CA -0.398 60.860 61.300 -0.070 0.000 1.167 205 I CB 1.332 39.300 38.000 -0.053 0.000 1.320 205 I HN 0.306 nan 8.210 nan 0.000 0.458 206 I N 5.344 125.903 120.570 -0.017 0.000 2.377 206 I HA 0.630 4.799 4.170 -0.000 0.000 0.293 206 I C 0.343 176.472 176.117 0.020 0.000 0.987 206 I CA -0.462 60.863 61.300 0.042 0.000 1.185 206 I CB 1.571 39.615 38.000 0.074 0.000 1.341 206 I HN 0.561 nan 8.210 nan 0.000 0.455 207 A N 5.897 128.743 122.820 0.045 0.000 2.374 207 A HA 0.476 4.796 4.320 -0.000 0.000 0.317 207 A C -0.598 176.974 177.584 -0.021 0.000 1.094 207 A CA -0.599 51.433 52.037 -0.009 0.000 0.765 207 A CB 1.259 20.275 19.000 0.027 0.000 1.268 207 A HN 0.815 nan 8.150 nan 0.000 0.438 208 H N 1.232 120.185 119.070 -0.195 0.000 2.562 208 H HA 0.088 4.644 4.556 -0.000 0.000 0.352 208 H C 1.199 176.491 175.328 -0.059 0.000 1.125 208 H CA 0.844 56.798 56.048 -0.156 0.000 1.379 208 H CB 1.212 30.828 29.762 -0.243 0.000 1.464 208 H HN 0.952 nan 8.280 nan 0.000 0.563 209 E N 3.352 123.225 120.200 -0.544 0.000 2.267 209 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 209 E C 0.572 177.105 176.600 -0.112 0.000 0.998 209 E CA 1.228 57.445 56.400 -0.305 0.000 0.830 209 E CB 0.073 29.577 29.700 -0.327 0.000 0.751 209 E HN 0.539 nan 8.360 nan 0.000 0.491 210 K N 0.264 120.703 120.400 0.065 0.000 2.358 210 K HA 0.282 4.602 4.320 -0.000 0.000 0.197 210 K C 0.328 177.036 176.600 0.180 0.000 1.025 210 K CA 0.100 56.495 56.287 0.180 0.000 1.104 210 K CB 0.905 33.568 32.500 0.272 0.000 0.855 210 K HN 0.152 nan 8.250 nan 0.000 0.531 211 A N 2.320 125.249 122.820 0.182 0.000 2.287 211 A HA 0.354 4.674 4.320 -0.000 0.000 0.273 211 A C -0.146 177.495 177.584 0.095 0.000 1.091 211 A CA -0.433 51.681 52.037 0.129 0.000 0.817 211 A CB 0.202 19.266 19.000 0.107 0.000 1.069 211 A HN 0.443 nan 8.150 nan 0.000 0.492 212 N N -1.522 117.233 118.700 0.092 0.000 2.494 212 N HA 0.661 5.401 4.740 -0.000 0.000 0.270 212 N C -1.014 174.554 175.510 0.097 0.000 1.285 212 N CA -0.695 52.416 53.050 0.103 0.000 0.812 212 N CB 1.355 39.893 38.487 0.085 0.000 1.557 212 N HN 0.747 nan 8.380 nan 0.000 0.487 213 M N -0.994 118.685 119.600 0.132 0.000 2.322 213 M HA 0.924 5.404 4.480 -0.000 0.000 0.286 213 M C -1.864 174.496 176.300 0.100 0.000 1.111 213 M CA -0.796 54.538 55.300 0.057 0.000 0.941 213 M CB 2.169 34.743 32.600 -0.044 0.000 1.671 213 M HN 0.807 nan 8.290 nan 0.000 0.470 214 A N 2.296 125.147 122.820 0.052 0.000 2.610 214 A HA 0.691 5.011 4.320 -0.000 0.000 0.291 214 A C 0.134 177.742 177.584 0.040 0.000 1.086 214 A CA -0.707 51.382 52.037 0.087 0.000 0.677 214 A CB 1.353 20.418 19.000 0.108 0.000 1.278 214 A HN 0.708 nan 8.150 nan 0.000 0.414 215 V N 0.372 120.323 119.914 0.060 0.000 2.407 215 V HA 0.224 4.343 4.120 -0.000 0.000 0.248 215 V C 1.408 177.570 176.094 0.113 0.000 1.055 215 V CA 2.435 64.795 62.300 0.101 0.000 1.049 215 V CB -0.657 31.230 31.823 0.106 0.000 0.662 215 V HN 1.507 nan 8.190 nan 0.000 0.455 216 G N -2.580 106.269 108.800 0.082 0.000 2.548 216 G HA2 0.493 4.453 3.960 -0.000 0.000 0.301 216 G HA3 0.493 4.453 3.960 -0.000 0.000 0.301 216 G C 0.243 175.176 174.900 0.055 0.000 1.349 216 G CA 0.077 45.218 45.100 0.068 0.000 0.792 216 G HN 0.162 nan 8.290 nan 0.000 0.481 217 G N -1.510 107.320 108.800 0.050 0.000 2.939 217 G HA2 0.520 4.480 3.960 -0.000 0.000 0.216 217 G HA3 0.520 4.480 3.960 -0.000 0.000 0.216 217 G C 1.288 176.208 174.900 0.034 0.000 1.125 217 G CA 1.922 47.047 45.100 0.042 0.000 0.766 217 G HN 2.262 nan 8.290 nan 0.000 0.541 218 A N -1.343 121.497 122.820 0.033 0.000 4.109 218 A HA 0.009 4.329 4.320 -0.000 0.000 0.250 218 A C 2.675 180.273 177.584 0.022 0.000 0.772 218 A CA 2.048 54.100 52.037 0.024 0.000 1.320 218 A CB -1.639 17.373 19.000 0.020 0.000 1.076 218 A HN 2.361 nan 8.150 nan 0.000 0.723 219 G N -1.465 107.351 108.800 0.028 0.000 2.629 219 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.313 219 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.313 219 G C 0.613 175.524 174.900 0.018 0.000 1.217 219 G CA 1.397 46.513 45.100 0.027 0.000 0.994 219 G HN 1.454 nan 8.290 nan 0.000 0.549 220 I N 1.362 121.942 120.570 0.017 0.000 4.288 220 I HA 0.456 4.626 4.170 -0.000 0.000 0.331 220 I C 2.666 178.794 176.117 0.018 0.000 1.322 220 I CA 1.881 63.188 61.300 0.012 0.000 1.149 220 I CB 0.099 38.102 38.000 0.006 0.000 1.112 220 I HN 1.617 nan 8.210 nan 0.000 0.403 221 M N 0.944 120.556 119.600 0.020 0.000 2.199 221 M HA -0.179 4.301 4.480 -0.000 0.000 0.197 221 M C 1.094 177.410 176.300 0.028 0.000 0.295 221 M CA 1.343 56.655 55.300 0.019 0.000 0.384 221 M CB -3.071 29.537 32.600 0.014 0.000 1.159 221 M HN 0.478 nan 8.290 nan 0.000 0.932 222 G N 0.263 109.090 108.800 0.044 0.000 3.401 222 G HA2 0.514 4.474 3.960 -0.000 0.000 0.251 222 G HA3 0.514 4.474 3.960 -0.000 0.000 0.251 222 G C 1.450 176.391 174.900 0.068 0.000 0.960 222 G CA 0.620 45.757 45.100 0.061 0.000 1.900 222 G HN 2.021 nan 8.290 nan 0.000 0.645 223 G N 1.791 110.613 108.800 0.037 0.000 2.869 223 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.236 223 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.236 223 G C 1.543 176.453 174.900 0.017 0.000 1.134 223 G CA 1.944 47.056 45.100 0.020 0.000 0.748 223 G HN 1.182 nan 8.290 nan 0.000 0.644 224 M N 0.946 120.563 119.600 0.029 0.000 3.705 224 M HA 0.581 5.061 4.480 -0.000 0.000 0.191 224 M C 1.094 177.408 176.300 0.024 0.000 1.570 224 M CA 1.006 56.316 55.300 0.018 0.000 1.714 224 M CB -2.052 30.566 32.600 0.029 0.000 1.148 224 M HN 0.856 nan 8.290 nan 0.000 0.547 225 N N 1.694 120.371 118.700 -0.037 0.000 3.193 225 N HA 0.552 5.292 4.740 -0.000 0.000 0.312 225 N C -0.899 174.260 175.510 -0.585 0.000 1.261 225 N CA 0.217 53.132 53.050 -0.225 0.000 1.208 225 N CB -1.606 36.796 38.487 -0.142 0.000 1.471 225 N HN 1.464 nan 8.380 nan 0.000 0.548 226 P HA -0.094 nan 4.420 nan 0.000 0.299 226 P C 1.171 178.361 177.300 -0.183 0.000 1.970 226 P CA 2.423 65.350 63.100 -0.290 0.000 1.766 226 P CB -0.833 30.578 31.700 -0.482 0.000 0.236 227 K N -1.026 119.308 120.400 -0.110 0.000 2.113 227 K HA 0.240 4.560 4.320 -0.000 0.000 0.208 227 K C 2.381 178.936 176.600 -0.075 0.000 1.047 227 K CA 3.718 59.966 56.287 -0.066 0.000 0.928 227 K CB -0.782 31.699 32.500 -0.032 0.000 0.716 227 K HN 2.277 nan 8.250 nan 0.000 0.446 228 G N -2.453 106.289 108.800 -0.097 0.000 4.040 228 G HA2 0.033 3.993 3.960 -0.000 0.000 0.192 228 G HA3 0.033 3.993 3.960 -0.000 0.000 0.192 228 G C 0.081 174.939 174.900 -0.070 0.000 0.963 228 G CA 0.244 45.292 45.100 -0.085 0.000 0.886 228 G HN 0.736 nan 8.290 nan 0.000 0.333 229 H N 1.327 120.328 119.070 -0.114 0.000 2.764 229 H HA 0.538 5.094 4.556 -0.000 0.000 0.341 229 H C 0.123 175.388 175.328 -0.106 0.000 1.072 229 H CA 0.268 56.266 56.048 -0.083 0.000 1.444 229 H CB 1.133 30.865 29.762 -0.050 0.000 1.458 229 H HN 0.115 nan 8.280 nan 0.000 0.572 230 V N 6.182 125.821 119.914 -0.458 0.000 2.461 230 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 230 V C -0.109 175.861 176.094 -0.208 0.000 1.047 230 V CA -0.209 61.950 62.300 -0.234 0.000 0.955 230 V CB 0.881 32.646 31.823 -0.096 0.000 0.988 230 V HN 0.963 nan 8.190 nan 0.000 0.471 231 D N 3.329 123.738 120.400 0.015 0.000 2.497 231 D HA 0.358 4.998 4.640 -0.000 0.000 0.243 231 D C 0.709 177.058 176.300 0.082 0.000 1.039 231 D CA -0.914 53.120 54.000 0.056 0.000 1.052 231 D CB 1.232 42.090 40.800 0.097 0.000 1.344 231 D HN 0.192 nan 8.370 nan 0.000 0.553 232 L N 0.087 121.345 121.223 0.060 0.000 2.042 232 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 232 L C 1.953 178.851 176.870 0.046 0.000 1.076 232 L CA 2.080 56.946 54.840 0.043 0.000 0.749 232 L CB -0.874 41.205 42.059 0.033 0.000 0.893 232 L HN 0.759 nan 8.230 nan 0.000 0.432 233 E N -1.648 118.592 120.200 0.066 0.000 2.038 233 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 233 E C 2.276 178.925 176.600 0.080 0.000 1.000 233 E CA 1.731 58.170 56.400 0.065 0.000 0.803 233 E CB -0.485 29.261 29.700 0.077 0.000 0.750 233 E HN 0.602 nan 8.360 nan 0.000 0.448 234 Y N 0.764 121.060 120.300 -0.006 0.000 2.165 234 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 234 Y C 2.088 177.979 175.900 -0.015 0.000 1.155 234 Y CA 1.667 59.760 58.100 -0.011 0.000 1.164 234 Y CB -0.671 37.778 38.460 -0.019 0.000 0.978 234 Y HN 0.168 nan 8.280 nan 0.000 0.513 235 A N 0.185 122.993 122.820 -0.020 0.000 1.978 235 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 235 A C 1.449 178.960 177.584 -0.121 0.000 1.170 235 A CA 1.654 53.638 52.037 -0.090 0.000 0.636 235 A CB -0.679 18.313 19.000 -0.012 0.000 0.810 235 A HN 0.530 nan 8.150 nan 0.000 0.448 236 N N 0.335 118.989 118.700 -0.078 0.000 3.091 236 N HA 0.171 4.911 4.740 -0.000 0.000 0.301 236 N C 0.055 175.510 175.510 -0.092 0.000 1.325 236 N CA 0.333 53.343 53.050 -0.066 0.000 1.143 236 N CB 0.339 38.810 38.487 -0.027 0.000 1.450 236 N HN 0.690 nan 8.380 nan 0.000 0.542 237 E N -0.926 119.176 120.200 -0.164 0.000 2.586 237 E HA 0.142 4.492 4.350 -0.000 0.000 0.225 237 E C 1.330 177.806 176.600 -0.206 0.000 1.064 237 E CA -0.107 56.188 56.400 -0.175 0.000 1.695 237 E CB 0.172 29.736 29.700 -0.225 0.000 2.917 237 E HN 0.114 nan 8.360 nan 0.000 1.096 238 I N 2.147 122.541 120.570 -0.294 0.000 2.163 238 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 238 I C 2.673 178.714 176.117 -0.128 0.000 1.081 238 I CA 1.438 62.599 61.300 -0.231 0.000 1.353 238 I CB -0.283 37.564 38.000 -0.255 0.000 1.054 238 I HN 0.081 nan 8.210 nan 0.000 0.407 239 A N 0.756 123.510 122.820 -0.110 0.000 1.883 239 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 239 A C 1.998 179.548 177.584 -0.057 0.000 1.186 239 A CA 2.135 54.132 52.037 -0.067 0.000 0.624 239 A CB -0.677 18.290 19.000 -0.055 0.000 0.822 239 A HN 0.387 nan 8.150 nan 0.000 0.444 240 D N -0.837 119.524 120.400 -0.065 0.000 2.092 240 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 240 D C 1.866 178.139 176.300 -0.045 0.000 0.994 240 D CA 1.898 55.868 54.000 -0.049 0.000 0.828 240 D CB -0.443 40.328 40.800 -0.049 0.000 0.963 240 D HN 0.396 nan 8.370 nan 0.000 0.450 241 M N 1.157 120.721 119.600 -0.059 0.000 2.089 241 M HA -0.173 4.307 4.480 -0.000 0.000 0.257 241 M C 2.090 178.368 176.300 -0.036 0.000 1.071 241 M CA 1.299 56.570 55.300 -0.048 0.000 1.096 241 M CB -0.661 31.902 32.600 -0.061 0.000 1.330 241 M HN -0.136 nan 8.290 nan 0.000 0.403 242 V N 0.956 120.847 119.914 -0.039 0.000 2.324 242 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 242 V C 2.089 178.171 176.094 -0.021 0.000 1.060 242 V CA 2.296 64.580 62.300 -0.027 0.000 1.042 242 V CB -1.228 30.579 31.823 -0.027 0.000 0.650 242 V HN 0.483 nan 8.190 nan 0.000 0.450 243 D N 0.214 120.600 120.400 -0.023 0.000 2.117 243 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 243 D C 2.013 178.304 176.300 -0.015 0.000 0.987 243 D CA 1.029 55.018 54.000 -0.018 0.000 0.829 243 D CB -0.300 40.489 40.800 -0.019 0.000 0.961 243 D HN 0.428 nan 8.370 nan 0.000 0.460 244 R N 0.338 120.828 120.500 -0.018 0.000 2.526 244 R HA 0.078 4.418 4.340 -0.000 0.000 0.223 244 R C 0.678 176.970 176.300 -0.012 0.000 1.250 244 R CA 0.356 56.447 56.100 -0.014 0.000 1.227 244 R CB 0.125 30.415 30.300 -0.016 0.000 1.109 244 R HN 0.114 nan 8.270 nan 0.000 0.499 245 T N -2.176 112.371 114.554 -0.011 0.000 3.525 245 T HA 0.172 4.522 4.350 -0.000 0.000 0.286 245 T C 0.917 175.614 174.700 -0.006 0.000 0.944 245 T CA 0.228 62.323 62.100 -0.008 0.000 1.063 245 T CB 0.435 69.297 68.868 -0.009 0.000 1.179 245 T HN 0.457 nan 8.240 nan 0.000 0.493 246 G N 2.792 111.588 108.800 -0.006 0.000 2.594 246 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.297 246 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.297 246 G C -0.284 174.615 174.900 -0.001 0.000 1.273 246 G CA 0.182 45.279 45.100 -0.004 0.000 0.974 246 G HN 0.610 nan 8.290 nan 0.000 0.552 247 K N 0.406 120.806 120.400 0.000 0.000 2.440 247 K HA 0.441 4.761 4.320 -0.000 0.000 0.270 247 K C -0.353 176.248 176.600 0.002 0.000 0.980 247 K CA 1.313 57.601 56.287 0.003 0.000 0.953 247 K CB 0.228 32.730 32.500 0.003 0.000 0.925 247 K HN 0.580 nan 8.250 nan 0.000 0.497 248 T N 1.561 116.118 114.554 0.004 0.000 4.111 248 T HA -0.010 4.340 4.350 -0.000 0.000 0.346 248 T C -1.138 173.565 174.700 0.006 0.000 0.893 248 T CA -0.721 61.381 62.100 0.003 0.000 1.011 248 T CB 0.760 69.629 68.868 0.002 0.000 1.094 248 T HN 0.645 nan 8.240 nan 0.000 0.467 249 E N 4.124 124.327 120.200 0.005 0.000 2.585 249 E HA 0.087 4.437 4.350 -0.000 0.000 0.252 249 E C -1.990 174.615 176.600 0.009 0.000 0.981 249 E CA -0.854 55.551 56.400 0.008 0.000 0.943 249 E CB 0.376 30.078 29.700 0.003 0.000 0.923 249 E HN 0.185 nan 8.360 nan 0.000 0.486 250 P HA 0.118 nan 4.420 nan 0.000 0.271 250 P C -2.518 174.793 177.300 0.018 0.000 1.233 250 P CA -0.892 62.220 63.100 0.020 0.000 0.789 250 P CB 0.023 31.740 31.700 0.029 0.000 0.951 251 P HA 0.155 nan 4.420 nan 0.000 0.272 251 P C 0.536 177.856 177.300 0.033 0.000 1.230 251 P CA 0.557 63.664 63.100 0.011 0.000 0.788 251 P CB 0.222 31.934 31.700 0.021 0.000 0.949 252 G N -0.060 108.731 108.800 -0.015 0.000 2.176 252 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.252 252 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.252 252 G C 0.453 175.420 174.900 0.111 0.000 1.024 252 G CA -0.002 45.123 45.100 0.042 0.000 0.755 252 G HN 0.794 nan 8.290 nan 0.000 0.507 253 A N -1.019 121.813 122.820 0.020 0.000 2.267 253 A HA 0.753 5.073 4.320 -0.000 0.000 0.271 253 A C 1.823 179.433 177.584 0.043 0.000 1.131 253 A CA 0.526 52.588 52.037 0.043 0.000 0.818 253 A CB 0.371 19.381 19.000 0.018 0.000 1.118 253 A HN 0.976 nan 8.150 nan 0.000 0.501 254 V N 1.260 121.204 119.914 0.050 0.000 2.380 254 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 254 V C 2.229 178.363 176.094 0.067 0.000 1.063 254 V CA 2.567 64.908 62.300 0.069 0.000 1.055 254 V CB -1.123 30.704 31.823 0.006 0.000 0.657 254 V HN 1.030 nan 8.190 nan 0.000 0.455 255 D N -0.582 119.825 120.400 0.013 0.000 2.309 255 D HA -0.170 4.470 4.640 -0.000 0.000 0.212 255 D C 1.843 178.111 176.300 -0.053 0.000 0.968 255 D CA 1.175 55.172 54.000 -0.005 0.000 0.882 255 D CB -0.023 40.763 40.800 -0.023 0.000 0.918 255 D HN 0.409 nan 8.370 nan 0.000 0.503 256 I N 0.401 120.907 120.570 -0.106 0.000 2.962 256 I HA -0.071 4.099 4.170 -0.000 0.000 0.246 256 I C 2.038 177.965 176.117 -0.317 0.000 1.091 256 I CA 0.499 61.646 61.300 -0.255 0.000 1.469 256 I CB -1.096 36.670 38.000 -0.389 0.000 1.324 256 I HN 0.048 nan 8.210 nan 0.000 0.461 257 H N -0.977 118.054 119.070 -0.066 0.000 2.556 257 H HA -0.036 4.520 4.556 -0.000 0.000 0.268 257 H C 1.431 176.737 175.328 -0.036 0.000 0.996 257 H CA 0.650 56.642 56.048 -0.095 0.000 1.157 257 H CB 0.331 30.102 29.762 0.016 0.000 1.355 257 H HN 0.364 nan 8.280 nan 0.000 0.597 258 Y N 0.471 120.766 120.300 -0.008 0.000 2.439 258 Y HA -0.015 4.535 4.550 -0.000 0.000 0.281 258 Y C 2.364 178.228 175.900 -0.059 0.000 1.145 258 Y CA 0.995 59.083 58.100 -0.020 0.000 1.252 258 Y CB 0.042 38.487 38.460 -0.024 0.000 1.271 258 Y HN -0.115 nan 8.280 nan 0.000 0.516 259 T N 1.171 115.725 114.554 -0.001 0.000 2.746 259 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 259 T C 1.421 176.022 174.700 -0.166 0.000 1.039 259 T CA 1.837 63.891 62.100 -0.077 0.000 1.142 259 T CB -0.079 68.805 68.868 0.026 0.000 0.866 259 T HN 0.314 nan 8.240 nan 0.000 0.444 260 E N 0.953 121.046 120.200 -0.177 0.000 2.035 260 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 260 E C 2.828 179.268 176.600 -0.267 0.000 0.966 260 E CA 1.595 57.873 56.400 -0.204 0.000 0.823 260 E CB -1.046 28.527 29.700 -0.211 0.000 0.791 260 E HN 0.613 nan 8.360 nan 0.000 0.459 261 T N -1.949 112.381 114.554 -0.374 0.000 2.951 261 T HA 0.078 4.428 4.350 -0.000 0.000 0.268 261 T C 1.583 176.024 174.700 -0.430 0.000 1.073 261 T CA 1.299 63.054 62.100 -0.574 0.000 1.134 261 T CB -0.220 67.919 68.868 -1.215 0.000 0.884 261 T HN 0.373 nan 8.240 nan 0.000 0.479 262 G N 0.617 109.233 108.800 -0.306 0.000 2.153 262 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.252 262 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.252 262 G C 0.524 175.442 174.900 0.030 0.000 0.994 262 G CA 0.309 45.281 45.100 -0.213 0.000 0.698 262 G HN 0.436 nan 8.290 nan 0.000 0.521 263 F N 0.170 120.100 119.950 -0.033 0.000 2.146 263 F HA 0.236 4.763 4.527 -0.000 0.000 0.298 263 F C 2.308 178.076 175.800 -0.053 0.000 1.096 263 F CA 0.674 58.636 58.000 -0.062 0.000 1.275 263 F CB -0.514 38.414 39.000 -0.121 0.000 1.008 263 F HN 0.231 nan 8.300 nan 0.000 0.480 264 M N 0.493 120.219 119.600 0.210 0.000 2.184 264 M HA 0.111 4.591 4.480 -0.000 0.000 0.351 264 M C 1.590 177.999 176.300 0.181 0.000 1.395 264 M CA 0.191 55.599 55.300 0.179 0.000 1.117 264 M CB 1.154 33.908 32.600 0.257 0.000 1.708 264 M HN -0.018 nan 8.290 nan 0.000 0.468 265 R N 2.002 122.556 120.500 0.091 0.000 2.119 265 R HA 0.079 4.419 4.340 -0.000 0.000 0.222 265 R C 0.081 176.501 176.300 0.201 0.000 1.088 265 R CA 1.113 57.255 56.100 0.071 0.000 0.984 265 R CB 0.582 30.821 30.300 -0.103 0.000 0.884 265 R HN 0.741 nan 8.270 nan 0.000 0.447 266 E N -0.629 119.677 120.200 0.175 0.000 2.352 266 E HA 0.278 4.628 4.350 -0.000 0.000 0.280 266 E C -1.855 174.739 176.600 -0.011 0.000 0.930 266 E CA -0.766 55.699 56.400 0.108 0.000 0.765 266 E CB 2.477 32.277 29.700 0.167 0.000 1.219 266 E HN -0.085 nan 8.360 nan 0.000 0.434 267 V N 3.201 122.937 119.914 -0.297 0.000 2.604 267 V HA 0.499 4.619 4.120 -0.000 0.000 0.305 267 V C -1.213 174.644 176.094 -0.395 0.000 1.043 267 V CA -0.686 61.446 62.300 -0.279 0.000 0.888 267 V CB 1.199 32.758 31.823 -0.440 0.000 0.995 267 V HN 0.571 nan 8.190 nan 0.000 0.429 268 Y N 1.170 121.361 120.300 -0.182 0.000 2.485 268 Y HA 0.648 5.198 4.550 -0.000 0.000 0.345 268 Y C 0.926 176.672 175.900 -0.257 0.000 0.998 268 Y CA -0.329 57.677 58.100 -0.156 0.000 1.059 268 Y CB 2.255 40.669 38.460 -0.077 0.000 1.234 268 Y HN 0.626 nan 8.280 nan 0.000 0.461 269 A N 0.973 123.754 122.820 -0.065 0.000 2.021 269 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 269 A C 0.791 178.321 177.584 -0.089 0.000 1.163 269 A CA 0.948 52.885 52.037 -0.166 0.000 0.676 269 A CB -0.425 18.523 19.000 -0.087 0.000 0.818 269 A HN 0.565 nan 8.150 nan 0.000 0.453 270 S N -1.210 114.543 115.700 0.088 0.000 2.638 270 S HA 0.424 4.894 4.470 -0.000 0.000 0.298 270 S C 0.390 175.180 174.600 0.317 0.000 1.111 270 S CA -0.507 57.817 58.200 0.206 0.000 1.027 270 S CB 1.352 64.631 63.200 0.132 0.000 1.064 270 S HN 0.294 nan 8.310 nan 0.000 0.525 271 E N 1.260 121.659 120.200 0.333 0.000 2.085 271 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 271 E C 1.445 178.181 176.600 0.227 0.000 0.994 271 E CA 1.602 58.221 56.400 0.363 0.000 0.801 271 E CB -0.205 29.609 29.700 0.190 0.000 0.743 271 E HN 0.763 nan 8.360 nan 0.000 0.453 272 E N 0.250 120.520 120.200 0.117 0.000 2.110 272 E HA -0.106 4.243 4.350 -0.000 0.000 0.193 272 E C 2.076 178.660 176.600 -0.028 0.000 0.988 272 E CA 1.064 57.488 56.400 0.040 0.000 0.804 272 E CB -0.595 29.121 29.700 0.026 0.000 0.745 272 E HN 0.353 nan 8.360 nan 0.000 0.458 273 G N 0.625 109.417 108.800 -0.012 0.000 2.446 273 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 273 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 273 G C 1.748 176.196 174.900 -0.753 0.000 1.168 273 G CA 1.113 46.106 45.100 -0.177 0.000 0.771 273 G HN 0.199 nan 8.290 nan 0.000 0.551 274 V N 1.317 121.000 119.914 -0.385 0.000 2.282 274 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 274 V C 2.946 178.863 176.094 -0.295 0.000 1.057 274 V CA 1.859 63.930 62.300 -0.382 0.000 1.032 274 V CB -0.586 31.096 31.823 -0.236 0.000 0.645 274 V HN 0.377 nan 8.190 nan 0.000 0.447 275 L N -0.428 120.724 121.223 -0.118 0.000 2.083 275 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 275 L C 2.605 179.400 176.870 -0.126 0.000 1.083 275 L CA 1.591 56.396 54.840 -0.058 0.000 0.752 275 L CB -0.613 41.439 42.059 -0.010 0.000 0.899 275 L HN 0.341 nan 8.230 nan 0.000 0.433 276 E N 0.720 120.785 120.200 -0.225 0.000 2.106 276 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 276 E C 2.134 178.618 176.600 -0.193 0.000 0.984 276 E CA 1.253 57.540 56.400 -0.188 0.000 0.806 276 E CB -0.316 29.279 29.700 -0.175 0.000 0.750 276 E HN 0.347 nan 8.360 nan 0.000 0.458 277 G N 0.549 109.100 108.800 -0.416 0.000 2.402 277 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 277 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 277 G C 1.672 176.662 174.900 0.151 0.000 1.162 277 G CA 0.832 45.887 45.100 -0.074 0.000 0.777 277 G HN 0.293 nan 8.290 nan 0.000 0.539 278 I N 0.454 121.053 120.570 0.048 0.000 2.179 278 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 278 I C 2.808 178.984 176.117 0.098 0.000 1.088 278 I CA 1.329 62.695 61.300 0.110 0.000 1.357 278 I CB -0.209 37.832 38.000 0.069 0.000 1.051 278 I HN 0.143 nan 8.210 nan 0.000 0.409 279 K N 0.802 121.218 120.400 0.028 0.000 2.063 279 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 279 K C 2.157 178.751 176.600 -0.009 0.000 1.048 279 K CA 1.410 57.700 56.287 0.004 0.000 0.928 279 K CB -0.214 32.271 32.500 -0.025 0.000 0.713 279 K HN 0.255 nan 8.250 nan 0.000 0.442 280 K N 0.535 120.915 120.400 -0.032 0.000 2.002 280 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 280 K C 1.915 178.374 176.600 -0.236 0.000 1.048 280 K CA 1.626 57.823 56.287 -0.150 0.000 0.930 280 K CB -0.157 32.216 32.500 -0.213 0.000 0.714 280 K HN 0.124 nan 8.250 nan 0.000 0.438 281 Y N 0.233 120.558 120.300 0.041 0.000 2.314 281 Y HA -0.117 4.432 4.550 -0.000 0.000 0.293 281 Y C 2.183 178.104 175.900 0.036 0.000 1.129 281 Y CA 0.623 58.749 58.100 0.043 0.000 1.201 281 Y CB 0.039 38.531 38.460 0.054 0.000 0.999 281 Y HN -0.124 nan 8.280 nan 0.000 0.541 282 V N -0.585 119.412 119.914 0.138 0.000 2.515 282 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 282 V C 2.415 178.538 176.094 0.048 0.000 1.058 282 V CA 1.885 64.241 62.300 0.093 0.000 1.064 282 V CB -1.171 30.695 31.823 0.073 0.000 0.675 282 V HN 0.566 nan 8.190 nan 0.000 0.461 283 G N -0.552 108.254 108.800 0.011 0.000 2.443 283 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 283 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 283 G C 1.474 176.367 174.900 -0.012 0.000 1.131 283 G CA 0.553 45.645 45.100 -0.012 0.000 0.775 283 G HN 0.481 nan 8.290 nan 0.000 0.547 284 M N 0.298 119.892 119.600 -0.011 0.000 2.562 284 M HA 0.248 4.728 4.480 -0.000 0.000 0.257 284 M C 0.521 176.837 176.300 0.026 0.000 1.099 284 M CA 0.214 55.512 55.300 -0.002 0.000 1.099 284 M CB -0.151 32.449 32.600 -0.001 0.000 1.427 284 M HN 0.018 nan 8.290 nan 0.000 0.489 285 L N 2.182 123.431 121.223 0.044 0.000 2.464 285 L HA 0.212 4.552 4.340 -0.000 0.000 0.264 285 L C -1.826 175.064 176.870 0.033 0.000 1.199 285 L CA -1.822 53.049 54.840 0.051 0.000 0.818 285 L CB -0.361 41.741 42.059 0.071 0.000 1.102 285 L HN -0.075 nan 8.230 nan 0.000 0.473 286 P HA 0.261 nan 4.420 nan 0.000 0.277 286 P C -1.527 175.794 177.300 0.034 0.000 1.240 286 P CA -0.428 62.674 63.100 0.002 0.000 0.798 286 P CB 1.294 32.988 31.700 -0.011 0.000 0.979 287 K N 0.148 120.551 120.400 0.004 0.000 2.639 287 K HA 0.383 4.703 4.320 -0.000 0.000 0.279 287 K C -1.682 174.939 176.600 0.036 0.000 0.976 287 K CA -0.909 55.436 56.287 0.096 0.000 0.861 287 K CB 0.435 33.007 32.500 0.121 0.000 1.436 287 K HN 0.135 nan 8.250 nan 0.000 0.400 288 Y N 1.014 121.371 120.300 0.094 0.000 2.310 288 Y HA 0.169 4.719 4.550 -0.000 0.000 0.326 288 Y C 0.360 176.313 175.900 0.088 0.000 1.151 288 Y CA -0.056 58.061 58.100 0.028 0.000 1.195 288 Y CB 1.150 39.670 38.460 0.101 0.000 1.210 288 Y HN 0.664 nan 8.280 nan 0.000 0.483 289 D N 4.372 124.881 120.400 0.181 0.000 2.417 289 D HA 0.036 4.676 4.640 -0.000 0.000 0.250 289 D C -1.839 174.620 176.300 0.266 0.000 1.166 289 D CA -1.589 52.519 54.000 0.179 0.000 0.881 289 D CB 1.512 42.393 40.800 0.135 0.000 1.164 289 D HN 0.288 nan 8.370 nan 0.000 0.467 290 P HA -0.197 nan 4.420 nan 0.000 0.217 290 P C 1.076 178.520 177.300 0.240 0.000 1.151 290 P CA 1.224 64.483 63.100 0.264 0.000 0.849 290 P CB 0.159 31.981 31.700 0.202 0.000 0.787 291 E N -1.498 118.832 120.200 0.218 0.000 2.171 291 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 291 E C 1.743 178.482 176.600 0.232 0.000 0.997 291 E CA 0.720 57.257 56.400 0.228 0.000 0.810 291 E CB -0.613 29.206 29.700 0.199 0.000 0.738 291 E HN 0.146 nan 8.360 nan 0.000 0.467 292 F N -0.122 119.856 119.950 0.048 0.000 2.126 292 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 292 F C 1.348 177.069 175.800 -0.131 0.000 1.096 292 F CA 1.595 59.538 58.000 -0.094 0.000 1.255 292 F CB -0.120 38.728 39.000 -0.253 0.000 0.997 292 F HN 0.026 nan 8.300 nan 0.000 0.479 293 F N -0.237 119.849 119.950 0.227 0.000 2.727 293 F HA 0.231 4.758 4.527 -0.000 0.000 0.302 293 F C 1.049 176.818 175.800 -0.052 0.000 1.097 293 F CA -0.406 57.648 58.000 0.089 0.000 1.330 293 F CB -0.082 38.834 39.000 -0.141 0.000 1.084 293 F HN -0.414 nan 8.300 nan 0.000 0.578 294 R N 0.382 120.913 120.500 0.051 0.000 2.582 294 R HA 0.250 4.590 4.340 -0.000 0.000 0.271 294 R C 0.919 176.923 176.300 -0.494 0.000 1.078 294 R CA 0.018 55.989 56.100 -0.215 0.000 1.127 294 R CB 1.364 31.567 30.300 -0.160 0.000 1.038 294 R HN 0.070 nan 8.270 nan 0.000 0.500 295 V N -2.880 116.575 119.914 -0.765 0.000 3.432 295 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 295 V C -0.168 175.401 176.094 -0.876 0.000 1.464 295 V CA 0.017 61.833 62.300 -0.806 0.000 1.046 295 V CB 0.324 31.620 31.823 -0.878 0.000 0.887 295 V HN 0.637 nan 8.190 nan 0.000 0.441 296 D N -0.761 118.879 120.400 -1.267 0.000 2.694 296 D HA 0.249 4.889 4.640 -0.000 0.000 0.260 296 D C -1.716 174.165 176.300 -0.698 0.000 1.250 296 D CA -0.365 53.100 54.000 -0.891 0.000 0.763 296 D CB 2.164 42.775 40.800 -0.315 0.000 1.311 296 D HN 0.062 nan 8.370 nan 0.000 0.420 297 D N 1.114 121.394 120.400 -0.200 0.000 2.372 297 D HA 0.277 4.917 4.640 -0.000 0.000 0.243 297 D C -2.052 174.221 176.300 -0.045 0.000 1.121 297 D CA -0.802 53.193 54.000 -0.010 0.000 0.898 297 D CB 0.630 41.473 40.800 0.072 0.000 1.202 297 D HN 0.095 nan 8.370 nan 0.000 0.428 298 P HA 0.055 nan 4.420 nan 0.000 0.265 298 P C -0.612 176.695 177.300 0.011 0.000 1.193 298 P CA 0.424 63.527 63.100 0.004 0.000 0.765 298 P CB 0.557 32.277 31.700 0.032 0.000 0.823 299 K N 1.866 122.275 120.400 0.015 0.000 2.513 299 K HA 0.636 4.956 4.320 -0.000 0.000 0.251 299 K C -0.671 175.944 176.600 0.025 0.000 0.939 299 K CA -0.860 55.436 56.287 0.015 0.000 0.793 299 K CB 2.500 35.003 32.500 0.006 0.000 1.241 299 K HN 0.389 nan 8.250 nan 0.000 0.431 300 A N 3.596 126.428 122.820 0.020 0.000 2.406 300 A HA 0.363 4.683 4.320 -0.000 0.000 0.243 300 A C -2.296 175.299 177.584 0.018 0.000 1.082 300 A CA -0.883 51.169 52.037 0.024 0.000 0.786 300 A CB -0.385 18.628 19.000 0.022 0.000 1.029 300 A HN 0.363 nan 8.150 nan 0.000 0.495 301 P HA 0.165 nan 4.420 nan 0.000 0.269 301 P C 0.390 177.670 177.300 -0.033 0.000 1.217 301 P CA 0.651 63.776 63.100 0.041 0.000 0.783 301 P CB 0.626 32.375 31.700 0.081 0.000 0.898 302 A N 1.385 124.123 122.820 -0.138 0.000 2.238 302 A HA 0.155 4.475 4.320 -0.000 0.000 0.208 302 A C 0.092 177.291 177.584 -0.643 0.000 1.177 302 A CA 0.857 52.649 52.037 -0.409 0.000 0.804 302 A CB -0.855 17.796 19.000 -0.582 0.000 0.823 302 A HN 0.475 nan 8.150 nan 0.000 0.482 303 F N -1.422 118.558 119.950 0.050 0.000 2.588 303 F HA 0.475 5.002 4.527 -0.000 0.000 0.314 303 F C -2.584 173.243 175.800 0.045 0.000 1.069 303 F CA -2.665 55.363 58.000 0.047 0.000 0.931 303 F CB 1.521 40.552 39.000 0.051 0.000 1.260 303 F HN -0.209 nan 8.300 nan 0.000 0.465 304 P HA 0.093 nan 4.420 nan 0.000 0.268 304 P C -0.062 177.320 177.300 0.137 0.000 1.204 304 P CA 0.232 63.425 63.100 0.155 0.000 0.768 304 P CB 1.011 32.794 31.700 0.139 0.000 0.842 305 A N 3.276 126.158 122.820 0.104 0.000 1.930 305 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 305 A C 1.682 179.296 177.584 0.051 0.000 1.175 305 A CA 1.557 53.633 52.037 0.066 0.000 0.627 305 A CB -1.011 18.023 19.000 0.056 0.000 0.815 305 A HN 0.451 nan 8.150 nan 0.000 0.443 306 D N 0.501 120.973 120.400 0.119 0.000 2.311 306 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 306 D C 0.970 177.379 176.300 0.181 0.000 0.972 306 D CA 1.051 55.182 54.000 0.218 0.000 0.887 306 D CB -0.331 40.608 40.800 0.232 0.000 0.915 306 D HN 0.399 nan 8.370 nan 0.000 0.497 307 D N 0.137 120.597 120.400 0.100 0.000 2.221 307 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 307 D C 2.228 178.539 176.300 0.019 0.000 0.982 307 D CA 0.241 54.280 54.000 0.065 0.000 0.857 307 D CB -0.216 40.607 40.800 0.039 0.000 0.934 307 D HN 0.301 nan 8.370 nan 0.000 0.475 308 L N -0.287 120.907 121.223 -0.048 0.000 2.187 308 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 308 L C 2.058 178.828 176.870 -0.166 0.000 1.100 308 L CA 0.838 55.590 54.840 -0.147 0.000 0.765 308 L CB -0.489 41.431 42.059 -0.232 0.000 0.904 308 L HN 0.069 nan 8.230 nan 0.000 0.437 309 Y N -0.546 119.743 120.300 -0.020 0.000 2.483 309 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 309 Y C 2.645 178.530 175.900 -0.025 0.000 1.143 309 Y CA 1.174 59.262 58.100 -0.019 0.000 1.289 309 Y CB -0.170 38.290 38.460 -0.000 0.000 0.983 309 Y HN 0.133 nan 8.280 nan 0.000 0.556 310 S N -1.549 114.210 115.700 0.099 0.000 2.545 310 S HA 0.053 4.523 4.470 -0.000 0.000 0.232 310 S C 1.691 176.291 174.600 -0.000 0.000 1.070 310 S CA 0.260 58.491 58.200 0.052 0.000 0.923 310 S CB 0.041 63.271 63.200 0.050 0.000 0.806 310 S HN 0.330 nan 8.310 nan 0.000 0.506 311 M N 1.366 120.946 119.600 -0.033 0.000 2.506 311 M HA 0.122 4.602 4.480 -0.000 0.000 0.260 311 M C -0.322 175.875 176.300 -0.172 0.000 1.104 311 M CA 0.650 55.914 55.300 -0.060 0.000 1.112 311 M CB 0.165 32.736 32.600 -0.048 0.000 1.401 311 M HN -0.046 nan 8.290 nan 0.000 0.473 312 V N 2.364 122.143 119.914 -0.225 0.000 2.304 312 V HA 0.255 4.375 4.120 -0.000 0.000 0.269 312 V C -2.397 173.559 176.094 -0.231 0.000 1.036 312 V CA -1.736 60.328 62.300 -0.393 0.000 0.840 312 V CB 0.203 31.815 31.823 -0.352 0.000 1.036 312 V HN 0.016 nan 8.190 nan 0.000 0.466 313 P HA 0.098 nan 4.420 nan 0.000 0.271 313 P C 0.603 177.879 177.300 -0.040 0.000 1.233 313 P CA -0.238 62.829 63.100 -0.055 0.000 0.764 313 P CB 1.036 32.752 31.700 0.026 0.000 0.825 314 L N 3.910 125.127 121.223 -0.011 0.000 2.141 314 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 314 L C 0.689 177.576 176.870 0.029 0.000 1.094 314 L CA 1.373 56.217 54.840 0.006 0.000 0.763 314 L CB -0.815 41.259 42.059 0.023 0.000 0.908 314 L HN 0.275 nan 8.230 nan 0.000 0.437 315 N N 1.207 119.927 118.700 0.035 0.000 2.406 315 N HA -0.085 4.655 4.740 -0.000 0.000 0.265 315 N C 0.243 175.786 175.510 0.055 0.000 1.203 315 N CA 0.503 53.580 53.050 0.045 0.000 0.945 315 N CB 0.627 39.138 38.487 0.039 0.000 1.165 315 N HN 0.401 nan 8.380 nan 0.000 0.485 316 D N 2.667 123.103 120.400 0.059 0.000 2.392 316 D HA -0.102 4.538 4.640 -0.000 0.000 0.228 316 D C 0.589 176.926 176.300 0.062 0.000 1.003 316 D CA 1.092 55.132 54.000 0.066 0.000 0.917 316 D CB 0.112 40.948 40.800 0.061 0.000 0.890 316 D HN 0.496 nan 8.370 nan 0.000 0.532 317 K N -0.607 119.824 120.400 0.052 0.000 2.379 317 K HA 0.123 4.442 4.320 -0.000 0.000 0.194 317 K C 0.284 176.911 176.600 0.046 0.000 1.031 317 K CA -0.207 56.105 56.287 0.041 0.000 1.037 317 K CB 0.528 33.046 32.500 0.029 0.000 0.824 317 K HN -0.025 nan 8.250 nan 0.000 0.516 318 R N 1.080 121.618 120.500 0.064 0.000 2.297 318 R HA 0.366 4.706 4.340 -0.000 0.000 0.308 318 R C -0.088 176.282 176.300 0.116 0.000 1.029 318 R CA -0.273 55.872 56.100 0.075 0.000 0.929 318 R CB 1.215 31.560 30.300 0.075 0.000 1.046 318 R HN 0.038 nan 8.270 nan 0.000 0.461 319 A N 2.879 125.746 122.820 0.079 0.000 2.246 319 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 319 A C -0.762 176.898 177.584 0.127 0.000 1.103 319 A CA -0.294 51.764 52.037 0.034 0.000 0.844 319 A CB 0.551 19.522 19.000 -0.049 0.000 1.136 319 A HN 0.763 nan 8.150 nan 0.000 0.500 320 Y N -2.454 117.840 120.300 -0.010 0.000 2.725 320 Y HA 0.606 5.155 4.550 -0.000 0.000 0.333 320 Y C -1.250 174.643 175.900 -0.012 0.000 1.242 320 Y CA -1.484 56.610 58.100 -0.010 0.000 1.059 320 Y CB 0.750 39.201 38.460 -0.014 0.000 1.306 320 Y HN 0.473 nan 8.280 nan 0.000 0.454 321 D N 1.435 121.925 120.400 0.151 0.000 2.396 321 D HA 0.158 4.798 4.640 -0.000 0.000 0.225 321 D C 0.602 176.992 176.300 0.149 0.000 1.121 321 D CA -0.267 53.779 54.000 0.077 0.000 0.853 321 D CB 1.224 42.102 40.800 0.130 0.000 1.043 321 D HN 0.693 nan 8.370 nan 0.000 0.500 322 I N 4.576 125.103 120.570 -0.073 0.000 2.335 322 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 322 I C 1.136 177.239 176.117 -0.024 0.000 1.129 322 I CA 1.557 62.845 61.300 -0.020 0.000 1.402 322 I CB -0.371 37.482 38.000 -0.245 0.000 1.069 322 I HN 0.511 nan 8.210 nan 0.000 0.424 323 Y N 0.301 120.641 120.300 0.068 0.000 2.403 323 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 323 Y C 2.402 178.354 175.900 0.087 0.000 1.143 323 Y CA 1.237 59.379 58.100 0.070 0.000 1.257 323 Y CB -0.637 37.848 38.460 0.042 0.000 0.984 323 Y HN 0.276 nan 8.280 nan 0.000 0.550 324 N N -0.365 118.456 118.700 0.201 0.000 2.270 324 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 324 N C 1.836 177.414 175.510 0.113 0.000 1.016 324 N CA 1.110 54.223 53.050 0.105 0.000 0.870 324 N CB -0.164 38.350 38.487 0.045 0.000 0.979 324 N HN 0.199 nan 8.380 nan 0.000 0.431 325 V N 1.529 121.519 119.914 0.126 0.000 2.346 325 V HA -0.084 4.036 4.120 -0.000 0.000 0.244 325 V C 2.320 178.513 176.094 0.165 0.000 1.037 325 V CA 0.912 63.270 62.300 0.097 0.000 1.029 325 V CB -0.270 31.601 31.823 0.080 0.000 0.663 325 V HN 0.168 nan 8.190 nan 0.000 0.454 326 I N 0.883 121.588 120.570 0.224 0.000 2.208 326 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 326 I C 2.661 179.022 176.117 0.406 0.000 1.097 326 I CA 1.627 63.148 61.300 0.368 0.000 1.363 326 I CB -0.570 37.591 38.000 0.270 0.000 1.051 326 I HN 0.305 nan 8.210 nan 0.000 0.413 327 A N 0.593 123.607 122.820 0.323 0.000 2.076 327 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 327 A C 2.215 179.991 177.584 0.320 0.000 1.160 327 A CA 1.422 53.669 52.037 0.350 0.000 0.653 327 A CB -0.473 18.772 19.000 0.409 0.000 0.801 327 A HN 0.411 nan 8.150 nan 0.000 0.455 328 R N -1.253 119.389 120.500 0.236 0.000 2.362 328 R HA 0.387 4.726 4.340 -0.000 0.000 0.227 328 R C 0.776 177.111 176.300 0.059 0.000 0.905 328 R CA 0.057 56.253 56.100 0.160 0.000 1.067 328 R CB 0.136 30.511 30.300 0.124 0.000 1.078 328 R HN 0.448 nan 8.270 nan 0.000 0.516 329 L N -0.912 120.318 121.223 0.012 0.000 2.749 329 L HA 0.337 4.677 4.340 -0.000 0.000 0.242 329 L C -0.263 176.285 176.870 -0.537 0.000 1.103 329 L CA 0.078 54.754 54.840 -0.275 0.000 0.906 329 L CB 0.480 42.278 42.059 -0.435 0.000 1.228 329 L HN -0.039 nan 8.230 nan 0.000 0.517 330 F N -0.303 119.708 119.950 0.102 0.000 2.522 330 F HA 0.320 4.847 4.527 -0.000 0.000 0.324 330 F C 0.224 176.068 175.800 0.075 0.000 1.077 330 F CA -1.360 56.696 58.000 0.093 0.000 0.944 330 F CB 0.744 39.803 39.000 0.098 0.000 1.175 330 F HN -0.214 nan 8.300 nan 0.000 0.468 331 D N 1.555 122.091 120.400 0.225 0.000 2.658 331 D HA -0.089 4.550 4.640 -0.000 0.000 0.230 331 D C 0.772 177.136 176.300 0.107 0.000 1.118 331 D CA 1.185 55.261 54.000 0.126 0.000 0.848 331 D CB -0.037 40.820 40.800 0.094 0.000 1.160 331 D HN 0.603 nan 8.370 nan 0.000 0.497 332 N N 1.490 120.222 118.700 0.053 0.000 2.661 332 N HA -0.345 4.395 4.740 -0.000 0.000 0.249 332 N C -0.423 175.103 175.510 0.027 0.000 1.142 332 N CA 1.270 54.326 53.050 0.011 0.000 0.727 332 N CB -0.779 37.710 38.487 0.003 0.000 1.099 332 N HN 0.401 nan 8.380 nan 0.000 0.558 333 S N -2.279 113.480 115.700 0.098 0.000 3.445 333 S HA -0.269 4.201 4.470 -0.000 0.000 0.319 333 S C -0.112 174.576 174.600 0.147 0.000 1.209 333 S CA 1.347 59.645 58.200 0.162 0.000 0.934 333 S CB -1.177 62.107 63.200 0.140 0.000 0.999 333 S HN 0.674 nan 8.310 nan 0.000 0.582 334 E N -0.066 120.209 120.200 0.125 0.000 2.343 334 E HA 0.605 4.955 4.350 -0.000 0.000 0.269 334 E C -0.288 176.372 176.600 0.100 0.000 1.047 334 E CA -0.501 55.954 56.400 0.092 0.000 0.874 334 E CB 1.004 30.747 29.700 0.072 0.000 1.033 334 E HN 0.252 nan 8.360 nan 0.000 0.409 335 L N 2.574 123.847 121.223 0.084 0.000 2.676 335 L HA 0.222 4.562 4.340 -0.000 0.000 0.262 335 L C -1.919 175.040 176.870 0.148 0.000 0.932 335 L CA -0.422 54.471 54.840 0.089 0.000 0.932 335 L CB 1.625 43.740 42.059 0.092 0.000 1.355 335 L HN 0.513 nan 8.230 nan 0.000 0.421 336 H N 4.093 123.205 119.070 0.070 0.000 2.673 336 H HA 0.464 5.020 4.556 -0.000 0.000 0.293 336 H C -0.746 174.649 175.328 0.112 0.000 1.065 336 H CA -0.295 55.810 56.048 0.095 0.000 1.236 336 H CB 0.841 30.679 29.762 0.127 0.000 1.389 336 H HN 0.715 nan 8.280 nan 0.000 0.481 337 E N 3.242 123.616 120.200 0.289 0.000 2.392 337 E HA -0.024 4.326 4.350 -0.000 0.000 0.264 337 E C -0.803 175.866 176.600 0.115 0.000 1.024 337 E CA -0.276 56.212 56.400 0.146 0.000 0.903 337 E CB 1.133 30.908 29.700 0.125 0.000 0.963 337 E HN 0.462 nan 8.360 nan 0.000 0.432 338 Y N 2.806 123.063 120.300 -0.071 0.000 2.341 338 Y HA 0.125 4.675 4.550 -0.000 0.000 0.340 338 Y C -0.206 175.592 175.900 -0.171 0.000 0.997 338 Y CA -0.800 57.256 58.100 -0.074 0.000 1.149 338 Y CB 0.507 38.988 38.460 0.034 0.000 1.171 338 Y HN 0.512 nan 8.280 nan 0.000 0.494 339 K N 3.912 123.845 120.400 -0.779 0.000 3.257 339 K HA -0.295 4.025 4.320 -0.000 0.000 0.270 339 K C -0.280 176.088 176.600 -0.385 0.000 0.984 339 K CA 0.897 56.499 56.287 -1.143 0.000 0.739 339 K CB -0.613 30.956 32.500 -1.552 0.000 1.351 339 K HN 0.753 nan 8.250 nan 0.000 0.463 340 K N 0.041 120.403 120.400 -0.063 0.000 2.382 340 K HA 0.125 4.445 4.320 -0.000 0.000 0.275 340 K C 1.376 178.049 176.600 0.122 0.000 1.009 340 K CA 1.189 57.502 56.287 0.044 0.000 0.970 340 K CB 0.531 33.088 32.500 0.095 0.000 0.934 340 K HN 0.454 nan 8.250 nan 0.000 0.479 341 G N 2.537 111.373 108.800 0.060 0.000 2.299 341 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.237 341 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.237 341 G C -0.582 174.362 174.900 0.073 0.000 1.027 341 G CA 0.378 45.519 45.100 0.069 0.000 0.619 341 G HN 0.669 nan 8.290 nan 0.000 0.513 342 Y N 1.813 122.098 120.300 -0.025 0.000 2.341 342 Y HA 0.456 5.006 4.550 -0.000 0.000 0.340 342 Y C 0.944 176.799 175.900 -0.074 0.000 0.997 342 Y CA -0.052 58.029 58.100 -0.031 0.000 1.149 342 Y CB 1.272 39.670 38.460 -0.102 0.000 1.171 342 Y HN 1.525 nan 8.280 nan 0.000 0.494 343 G N 7.871 116.305 108.800 -0.610 0.000 2.351 343 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.297 343 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.297 343 G C -1.657 173.077 174.900 -0.276 0.000 1.054 343 G CA -0.089 44.775 45.100 -0.394 0.000 1.123 343 G HN 0.638 nan 8.290 nan 0.000 0.512 344 P HA -0.084 nan 4.420 nan 0.000 0.226 344 P C 1.073 178.226 177.300 -0.244 0.000 1.146 344 P CA 1.372 64.267 63.100 -0.340 0.000 0.773 344 P CB 0.189 31.603 31.700 -0.477 0.000 0.772 345 E N -1.309 118.788 120.200 -0.171 0.000 2.482 345 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 345 E C 0.947 177.526 176.600 -0.035 0.000 1.047 345 E CA 0.718 57.107 56.400 -0.017 0.000 0.869 345 E CB -0.330 29.504 29.700 0.224 0.000 0.836 345 E HN 0.256 nan 8.360 nan 0.000 0.520 346 M N 0.236 119.795 119.600 -0.070 0.000 2.572 346 M HA 0.401 4.881 4.480 -0.000 0.000 0.299 346 M C -0.960 175.261 176.300 -0.130 0.000 1.205 346 M CA -1.132 54.119 55.300 -0.083 0.000 0.876 346 M CB 2.369 34.945 32.600 -0.041 0.000 1.728 346 M HN -0.296 nan 8.290 nan 0.000 0.458 347 V N 1.787 121.599 119.914 -0.170 0.000 2.384 347 V HA 0.683 4.803 4.120 -0.000 0.000 0.287 347 V C -0.213 175.712 176.094 -0.282 0.000 1.020 347 V CA -0.464 61.719 62.300 -0.195 0.000 0.850 347 V CB 1.717 33.390 31.823 -0.249 0.000 0.987 347 V HN 0.964 nan 8.190 nan 0.000 0.436 348 T N 1.396 115.735 114.554 -0.358 0.000 2.881 348 T HA 0.871 5.221 4.350 -0.000 0.000 0.291 348 T C -0.178 174.138 174.700 -0.640 0.000 0.990 348 T CA -0.367 61.253 62.100 -0.800 0.000 0.976 348 T CB 1.648 69.903 68.868 -1.021 0.000 0.970 348 T HN 1.077 nan 8.240 nan 0.000 0.438 349 G N 1.701 110.169 108.800 -0.553 0.000 2.608 349 G HA2 0.565 4.524 3.960 -0.000 0.000 0.291 349 G HA3 0.565 4.524 3.960 -0.000 0.000 0.291 349 G C -2.111 172.866 174.900 0.127 0.000 1.425 349 G CA -0.946 44.109 45.100 -0.076 0.000 0.787 349 G HN 0.738 nan 8.290 nan 0.000 0.484 350 L N 0.767 122.096 121.223 0.177 0.000 2.312 350 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 350 L C 0.608 177.522 176.870 0.073 0.000 1.070 350 L CA 0.013 54.950 54.840 0.160 0.000 0.805 350 L CB 1.002 43.195 42.059 0.223 0.000 1.174 350 L HN 1.076 nan 8.230 nan 0.000 0.434 351 A N 4.221 127.037 122.820 -0.005 0.000 2.567 351 A HA 0.864 5.184 4.320 -0.000 0.000 0.289 351 A C -1.251 176.378 177.584 0.074 0.000 1.177 351 A CA -0.723 51.285 52.037 -0.049 0.000 0.694 351 A CB 1.389 20.113 19.000 -0.461 0.000 1.292 351 A HN 0.558 nan 8.150 nan 0.000 0.425 352 K N -0.327 120.174 120.400 0.169 0.000 2.375 352 K HA 0.679 4.999 4.320 -0.000 0.000 0.249 352 K C -1.746 175.019 176.600 0.275 0.000 0.942 352 K CA -0.695 55.694 56.287 0.170 0.000 0.806 352 K CB 2.619 35.159 32.500 0.066 0.000 1.227 352 K HN 0.343 nan 8.250 nan 0.000 0.430 353 V N 2.483 122.513 119.914 0.193 0.000 2.419 353 V HA 0.201 4.321 4.120 -0.000 0.000 0.287 353 V C -0.188 175.953 176.094 0.078 0.000 1.017 353 V CA -0.878 61.518 62.300 0.160 0.000 0.844 353 V CB 0.725 32.664 31.823 0.194 0.000 1.011 353 V HN 0.962 nan 8.190 nan 0.000 0.429 354 N N 3.801 122.536 118.700 0.059 0.000 2.735 354 N HA -0.247 4.493 4.740 -0.000 0.000 0.248 354 N C 1.190 176.694 175.510 -0.010 0.000 1.083 354 N CA 0.649 53.723 53.050 0.039 0.000 0.703 354 N CB -0.655 37.873 38.487 0.069 0.000 1.005 354 N HN 1.375 nan 8.380 nan 0.000 0.550 355 G N -1.208 107.562 108.800 -0.049 0.000 2.225 355 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 355 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 355 G C 0.114 174.892 174.900 -0.204 0.000 0.988 355 G CA 0.470 45.474 45.100 -0.160 0.000 0.625 355 G HN 0.336 nan 8.290 nan 0.000 0.527 356 L N 0.820 121.959 121.223 -0.139 0.000 2.305 356 L HA 0.623 4.962 4.340 -0.000 0.000 0.281 356 L C 0.660 177.471 176.870 -0.098 0.000 1.085 356 L CA -1.132 53.563 54.840 -0.241 0.000 0.813 356 L CB 1.256 43.152 42.059 -0.271 0.000 1.157 356 L HN 0.120 nan 8.230 nan 0.000 0.436 357 L N 5.233 126.380 121.223 -0.127 0.000 2.367 357 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 357 L C -0.131 176.840 176.870 0.168 0.000 1.129 357 L CA 0.279 55.123 54.840 0.007 0.000 0.839 357 L CB 1.199 43.213 42.059 -0.075 0.000 1.133 357 L HN 0.440 nan 8.230 nan 0.000 0.453 358 V N 1.741 121.739 119.914 0.141 0.000 3.188 358 V HA 0.963 5.083 4.120 -0.000 0.000 0.305 358 V C -0.085 176.051 176.094 0.071 0.000 1.232 358 V CA -0.365 62.023 62.300 0.146 0.000 1.043 358 V CB 1.255 33.231 31.823 0.255 0.000 1.068 358 V HN 0.870 nan 8.190 nan 0.000 0.439 359 G N 0.426 109.247 108.800 0.036 0.000 2.389 359 G HA2 0.641 4.601 3.960 -0.000 0.000 0.317 359 G HA3 0.641 4.601 3.960 -0.000 0.000 0.317 359 G C -1.038 173.889 174.900 0.046 0.000 1.137 359 G CA -0.724 44.432 45.100 0.094 0.000 0.870 359 G HN 1.217 nan 8.290 nan 0.000 0.496 360 V N 1.064 120.987 119.914 0.015 0.000 2.638 360 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 360 V C -0.545 175.360 176.094 -0.316 0.000 1.052 360 V CA -0.679 61.497 62.300 -0.207 0.000 0.885 360 V CB 1.889 33.470 31.823 -0.403 0.000 0.999 360 V HN 0.564 nan 8.190 nan 0.000 0.424 361 V N 3.370 123.074 119.914 -0.351 0.000 2.482 361 V HA 0.923 5.043 4.120 -0.000 0.000 0.295 361 V C 0.006 176.018 176.094 -0.137 0.000 1.026 361 V CA -0.285 61.800 62.300 -0.359 0.000 0.856 361 V CB 1.532 32.982 31.823 -0.622 0.000 1.001 361 V HN 1.099 nan 8.190 nan 0.000 0.424 362 A N 3.968 126.716 122.820 -0.121 0.000 2.515 362 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 362 A C -0.666 176.870 177.584 -0.080 0.000 1.059 362 A CA -0.838 51.162 52.037 -0.062 0.000 0.698 362 A CB 1.306 20.261 19.000 -0.074 0.000 1.289 362 A HN 0.778 nan 8.150 nan 0.000 0.404 363 N N -0.250 118.424 118.700 -0.044 0.000 2.508 363 N HA 0.422 5.162 4.740 -0.000 0.000 0.264 363 N C -0.546 174.877 175.510 -0.144 0.000 1.216 363 N CA 0.026 53.037 53.050 -0.064 0.000 0.943 363 N CB 1.142 39.610 38.487 -0.032 0.000 1.113 363 N HN 0.366 nan 8.380 nan 0.000 0.447 364 V N 2.167 121.988 119.914 -0.155 0.000 2.427 364 V HA 0.251 4.371 4.120 -0.000 0.000 0.286 364 V C 0.022 175.994 176.094 -0.203 0.000 1.034 364 V CA -0.678 61.492 62.300 -0.217 0.000 0.893 364 V CB 1.348 33.062 31.823 -0.181 0.000 0.982 364 V HN 0.560 nan 8.190 nan 0.000 0.452 365 Q N 2.040 121.659 119.800 -0.301 0.000 2.204 365 Q HA 0.790 5.130 4.340 -0.000 0.000 0.254 365 Q C 0.427 176.315 176.000 -0.186 0.000 0.981 365 Q CA 0.289 55.922 55.803 -0.283 0.000 0.897 365 Q CB 1.897 30.319 28.738 -0.527 0.000 1.273 365 Q HN 1.156 nan 8.270 nan 0.000 0.464 366 G N -0.335 108.393 108.800 -0.121 0.000 2.592 366 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.684 366 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.684 366 G C -1.072 173.801 174.900 -0.046 0.000 1.291 366 G CA -0.972 44.083 45.100 -0.075 0.000 0.891 366 G HN 0.398 nan 8.290 nan 0.000 0.544 367 L N -0.224 120.978 121.223 -0.035 0.000 2.397 367 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 367 L C 0.505 177.348 176.870 -0.044 0.000 1.148 367 L CA -0.415 54.410 54.840 -0.026 0.000 0.825 367 L CB 0.776 42.823 42.059 -0.020 0.000 1.117 367 L HN 0.425 nan 8.230 nan 0.000 0.456 368 L N 4.255 125.452 121.223 -0.044 0.000 2.337 368 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 368 L C -0.196 176.644 176.870 -0.049 0.000 1.018 368 L CA -0.618 54.170 54.840 -0.087 0.000 0.876 368 L CB 1.186 43.165 42.059 -0.133 0.000 1.236 368 L HN 0.532 nan 8.230 nan 0.000 0.436 369 M N 2.016 121.585 119.600 -0.052 0.000 2.252 369 M HA -0.011 4.469 4.480 -0.000 0.000 0.333 369 M C 0.929 177.223 176.300 -0.011 0.000 1.111 369 M CA 0.253 55.535 55.300 -0.031 0.000 1.140 369 M CB -0.701 31.880 32.600 -0.032 0.000 1.538 369 M HN 0.614 nan 8.290 nan 0.000 0.448 370 N N 2.085 120.777 118.700 -0.012 0.000 2.669 370 N HA -0.253 4.487 4.740 -0.000 0.000 0.266 370 N C -2.039 173.492 175.510 0.034 0.000 1.024 370 N CA 0.760 53.804 53.050 -0.010 0.000 0.766 370 N CB -0.813 37.669 38.487 -0.008 0.000 0.898 370 N HN 0.632 nan 8.380 nan 0.000 0.548 371 Y N -0.327 119.847 120.300 -0.210 0.000 2.592 371 Y HA 0.577 5.127 4.550 -0.000 0.000 0.334 371 Y C -2.647 172.990 175.900 -0.439 0.000 1.136 371 Y CA -1.743 56.165 58.100 -0.320 0.000 1.042 371 Y CB 1.777 40.036 38.460 -0.334 0.000 1.325 371 Y HN 0.044 nan 8.280 nan 0.000 0.457 372 P HA 0.169 nan 4.420 nan 0.000 0.278 372 P C -0.553 176.191 177.300 -0.927 0.000 1.266 372 P CA -0.039 61.960 63.100 -1.836 0.000 0.807 372 P CB 1.335 31.914 31.700 -1.868 0.000 1.094 373 E N 0.452 120.281 120.200 -0.618 0.000 2.204 373 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 373 E C 1.570 178.077 176.600 -0.155 0.000 0.989 373 E CA 1.634 57.900 56.400 -0.224 0.000 0.824 373 E CB -1.584 28.102 29.700 -0.022 0.000 0.756 373 E HN 0.621 nan 8.360 nan 0.000 0.477 374 Y N 0.282 120.501 120.300 -0.136 0.000 2.529 374 Y HA 0.363 4.912 4.550 -0.000 0.000 0.290 374 Y C 0.215 176.074 175.900 -0.068 0.000 1.177 374 Y CA -0.473 57.582 58.100 -0.075 0.000 1.305 374 Y CB -0.119 38.308 38.460 -0.054 0.000 1.047 374 Y HN -0.252 nan 8.280 nan 0.000 0.522 375 K N 0.886 121.121 120.400 -0.276 0.000 2.238 375 K HA 0.706 5.026 4.320 -0.000 0.000 0.239 375 K C -0.162 176.368 176.600 -0.117 0.000 0.987 375 K CA -0.887 55.298 56.287 -0.170 0.000 0.857 375 K CB 1.656 33.992 32.500 -0.272 0.000 1.154 375 K HN 0.166 nan 8.250 nan 0.000 0.439 376 A N 1.166 123.947 122.820 -0.066 0.000 2.555 376 A HA 0.280 4.600 4.320 -0.000 0.000 0.233 376 A C 0.197 177.744 177.584 -0.062 0.000 1.060 376 A CA 0.244 52.252 52.037 -0.047 0.000 0.759 376 A CB -0.136 18.846 19.000 -0.030 0.000 0.995 376 A HN 0.781 nan 8.150 nan 0.000 0.506 377 A N 0.783 123.577 122.820 -0.044 0.000 2.547 377 A HA 0.469 4.789 4.320 -0.000 0.000 0.233 377 A C 1.781 179.340 177.584 -0.041 0.000 1.067 377 A CA 0.987 52.999 52.037 -0.041 0.000 0.763 377 A CB -0.660 18.325 19.000 -0.025 0.000 1.007 377 A HN 2.817 nan 8.150 nan 0.000 0.506 378 G N 0.275 109.051 108.800 -0.040 0.000 2.225 378 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 378 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 378 G C 0.696 175.569 174.900 -0.045 0.000 0.988 378 G CA 0.972 46.051 45.100 -0.035 0.000 0.625 378 G HN 2.252 nan 8.290 nan 0.000 0.527 379 S N -0.510 115.150 115.700 -0.068 0.000 2.573 379 S HA 0.568 5.038 4.470 -0.000 0.000 0.277 379 S C 0.066 174.618 174.600 -0.081 0.000 1.346 379 S CA 0.124 58.273 58.200 -0.085 0.000 1.034 379 S CB 2.298 65.413 63.200 -0.141 0.000 0.879 379 S HN 1.150 nan 8.310 nan 0.000 0.528 380 V N 2.285 122.159 119.914 -0.067 0.000 2.487 380 V HA 0.663 4.783 4.120 -0.000 0.000 0.298 380 V C 0.932 176.997 176.094 -0.049 0.000 1.028 380 V CA -0.398 61.874 62.300 -0.047 0.000 0.860 380 V CB 1.453 33.262 31.823 -0.024 0.000 0.991 380 V HN 1.179 nan 8.190 nan 0.000 0.427 381 G N 4.524 113.293 108.800 -0.052 0.000 2.507 381 G HA2 0.597 4.557 3.960 -0.000 0.000 0.271 381 G HA3 0.597 4.557 3.960 -0.000 0.000 0.271 381 G C -0.634 174.309 174.900 0.072 0.000 1.189 381 G CA -0.478 44.589 45.100 -0.056 0.000 0.859 381 G HN 0.468 nan 8.290 nan 0.000 0.542 382 I N 1.364 122.071 120.570 0.228 0.000 2.362 382 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 382 I C 1.105 177.322 176.117 0.168 0.000 0.994 382 I CA -0.691 60.706 61.300 0.162 0.000 1.158 382 I CB 0.663 38.746 38.000 0.139 0.000 1.315 382 I HN 0.542 nan 8.210 nan 0.000 0.451 383 G N 3.478 112.315 108.800 0.061 0.000 2.340 383 G HA2 0.384 4.344 3.960 -0.000 0.000 0.245 383 G HA3 0.384 4.344 3.960 -0.000 0.000 0.245 383 G C 0.882 175.786 174.900 0.006 0.000 1.294 383 G CA 0.615 45.723 45.100 0.013 0.000 0.896 383 G HN 1.155 nan 8.290 nan 0.000 0.522 384 G N 1.110 109.914 108.800 0.007 0.000 2.253 384 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.209 384 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.209 384 G C 0.484 175.377 174.900 -0.011 0.000 0.997 384 G CA 0.435 45.529 45.100 -0.009 0.000 0.640 384 G HN 0.848 nan 8.290 nan 0.000 0.496 385 K N 0.252 120.655 120.400 0.005 0.000 2.095 385 K HA 0.826 5.146 4.320 -0.000 0.000 0.252 385 K C 0.234 176.730 176.600 -0.174 0.000 0.977 385 K CA -0.444 55.761 56.287 -0.136 0.000 0.900 385 K CB 1.056 33.403 32.500 -0.255 0.000 1.060 385 K HN 0.196 nan 8.250 nan 0.000 0.449 386 L N 3.120 124.158 121.223 -0.308 0.000 2.317 386 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 386 L C -0.714 175.943 176.870 -0.356 0.000 1.024 386 L CA -0.818 53.920 54.840 -0.170 0.000 0.810 386 L CB 0.686 42.701 42.059 -0.074 0.000 1.240 386 L HN 0.577 nan 8.230 nan 0.000 0.427 387 Y N 0.300 120.670 120.300 0.116 0.000 2.876 387 Y HA 0.416 4.966 4.550 -0.000 0.000 0.318 387 Y C 1.193 177.170 175.900 0.130 0.000 1.275 387 Y CA -0.832 57.361 58.100 0.155 0.000 1.144 387 Y CB 0.734 39.273 38.460 0.132 0.000 1.376 387 Y HN 0.396 nan 8.280 nan 0.000 0.589 388 R N 0.090 120.807 120.500 0.362 0.000 2.070 388 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 388 R C 1.660 178.046 176.300 0.144 0.000 1.138 388 R CA 2.238 58.445 56.100 0.178 0.000 0.936 388 R CB -0.311 30.071 30.300 0.137 0.000 0.839 388 R HN 0.807 nan 8.270 nan 0.000 0.429 389 Q N -0.795 119.065 119.800 0.100 0.000 2.135 389 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 389 Q C 2.073 177.985 176.000 -0.146 0.000 0.981 389 Q CA 1.474 57.153 55.803 -0.207 0.000 0.856 389 Q CB -0.217 28.176 28.738 -0.575 0.000 0.902 389 Q HN 0.579 nan 8.270 nan 0.000 0.425 390 G N 0.854 109.673 108.800 0.031 0.000 2.418 390 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 390 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 390 G C 1.397 176.359 174.900 0.103 0.000 1.158 390 G CA 0.446 45.581 45.100 0.058 0.000 0.771 390 G HN 0.167 nan 8.290 nan 0.000 0.545 391 L N 0.103 121.398 121.223 0.119 0.000 2.056 391 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 391 L C 3.002 179.965 176.870 0.154 0.000 1.078 391 L CA 0.376 55.290 54.840 0.124 0.000 0.749 391 L CB -0.313 41.802 42.059 0.092 0.000 0.901 391 L HN 0.096 nan 8.230 nan 0.000 0.433 392 V N 0.007 120.026 119.914 0.174 0.000 2.307 392 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 392 V C 2.525 178.789 176.094 0.283 0.000 1.045 392 V CA 1.929 64.365 62.300 0.226 0.000 1.024 392 V CB -0.502 31.498 31.823 0.295 0.000 0.651 392 V HN 0.432 nan 8.190 nan 0.000 0.449 393 K N -0.375 120.229 120.400 0.339 0.000 2.063 393 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 393 K C 2.198 178.991 176.600 0.323 0.000 1.048 393 K CA 1.917 58.422 56.287 0.364 0.000 0.928 393 K CB -0.193 32.472 32.500 0.274 0.000 0.713 393 K HN 0.365 nan 8.250 nan 0.000 0.442 394 M N 0.563 120.306 119.600 0.238 0.000 2.175 394 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 394 M C 1.908 178.374 176.300 0.277 0.000 1.063 394 M CA 1.163 56.615 55.300 0.255 0.000 1.119 394 M CB -0.355 32.400 32.600 0.258 0.000 1.377 394 M HN 0.219 nan 8.290 nan 0.000 0.415 395 N N 0.601 119.439 118.700 0.230 0.000 2.069 395 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 395 N C 1.508 177.117 175.510 0.165 0.000 1.031 395 N CA 1.521 54.684 53.050 0.189 0.000 0.852 395 N CB -0.212 38.367 38.487 0.155 0.000 1.018 395 N HN 0.498 nan 8.380 nan 0.000 0.423 396 E N -0.143 120.172 120.200 0.192 0.000 2.077 396 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 396 E C 1.759 178.388 176.600 0.049 0.000 0.989 396 E CA 0.665 57.157 56.400 0.153 0.000 0.800 396 E CB -0.241 29.615 29.700 0.259 0.000 0.746 396 E HN 0.262 nan 8.360 nan 0.000 0.452 397 F N 1.507 121.403 119.950 -0.091 0.000 2.102 397 F HA -0.220 4.306 4.527 -0.000 0.000 0.298 397 F C 2.175 177.854 175.800 -0.202 0.000 1.105 397 F CA 1.105 58.920 58.000 -0.308 0.000 1.239 397 F CB -0.318 38.562 39.000 -0.201 0.000 0.991 397 F HN -0.213 nan 8.300 nan 0.000 0.474 398 V N -0.273 119.629 119.914 -0.020 0.000 2.295 398 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 398 V C 2.317 178.336 176.094 -0.124 0.000 1.049 398 V CA 2.437 64.695 62.300 -0.070 0.000 1.024 398 V CB -1.165 30.749 31.823 0.151 0.000 0.648 398 V HN 0.420 nan 8.190 nan 0.000 0.447 399 T N 0.342 114.859 114.554 -0.062 0.000 2.788 399 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 399 T C 1.854 176.477 174.700 -0.128 0.000 1.044 399 T CA 1.501 63.567 62.100 -0.058 0.000 1.139 399 T CB -0.260 68.607 68.868 -0.001 0.000 0.867 399 T HN 0.302 nan 8.240 nan 0.000 0.454 400 L N 0.161 121.254 121.223 -0.217 0.000 2.072 400 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 400 L C 2.891 179.573 176.870 -0.312 0.000 1.079 400 L CA 0.811 55.494 54.840 -0.262 0.000 0.752 400 L CB -0.615 41.232 42.059 -0.353 0.000 0.906 400 L HN 0.352 nan 8.230 nan 0.000 0.436 401 C N -0.149 118.876 119.300 -0.459 0.000 2.413 401 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 401 C C 3.145 177.988 174.990 -0.245 0.000 1.265 401 C CA 0.780 59.546 59.018 -0.419 0.000 1.752 401 C CB -1.005 26.405 27.740 -0.550 0.000 1.998 401 C HN 0.617 nan 8.230 nan 0.000 0.489 402 A N 0.369 123.076 122.820 -0.189 0.000 1.902 402 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 402 A C 2.312 179.836 177.584 -0.100 0.000 1.181 402 A CA 1.822 53.790 52.037 -0.114 0.000 0.623 402 A CB -0.674 18.283 19.000 -0.072 0.000 0.818 402 A HN 0.657 nan 8.150 nan 0.000 0.443 403 R N -0.336 120.101 120.500 -0.105 0.000 2.081 403 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 403 R C 0.468 176.703 176.300 -0.108 0.000 1.131 403 R CA 1.820 57.867 56.100 -0.089 0.000 0.960 403 R CB -0.320 29.931 30.300 -0.082 0.000 0.856 403 R HN 0.377 nan 8.270 nan 0.000 0.436 404 D N 0.682 121.002 120.400 -0.135 0.000 2.349 404 D HA -0.007 4.633 4.640 -0.000 0.000 0.224 404 D C -0.022 176.184 176.300 -0.158 0.000 1.029 404 D CA 0.226 54.144 54.000 -0.138 0.000 0.879 404 D CB 0.174 40.897 40.800 -0.128 0.000 0.906 404 D HN 0.122 nan 8.370 nan 0.000 0.528 405 R N -0.095 120.308 120.500 -0.162 0.000 3.422 405 R HA -0.188 4.152 4.340 -0.000 0.000 0.267 405 R C -0.519 175.636 176.300 -0.241 0.000 1.074 405 R CA 0.335 56.316 56.100 -0.197 0.000 0.718 405 R CB -2.826 27.342 30.300 -0.219 0.000 1.157 405 R HN 0.322 nan 8.270 nan 0.000 0.440 406 L N 0.956 122.059 121.223 -0.199 0.000 2.309 406 L HA 0.460 4.799 4.340 -0.000 0.000 0.282 406 L C -1.783 174.986 176.870 -0.168 0.000 1.036 406 L CA -2.172 52.565 54.840 -0.171 0.000 0.806 406 L CB 1.330 43.312 42.059 -0.129 0.000 1.220 406 L HN -0.224 nan 8.230 nan 0.000 0.429 407 P HA 0.304 nan 4.420 nan 0.000 0.274 407 P C -0.864 176.484 177.300 0.081 0.000 1.246 407 P CA -0.117 62.968 63.100 -0.025 0.000 0.795 407 P CB 0.830 32.483 31.700 -0.079 0.000 1.006 408 I N 0.307 120.970 120.570 0.156 0.000 2.545 408 I HA 0.300 4.469 4.170 -0.000 0.000 0.292 408 I C -0.807 175.317 176.117 0.012 0.000 1.040 408 I CA -1.048 60.251 61.300 -0.001 0.000 1.068 408 I CB 2.271 40.154 38.000 -0.196 0.000 1.251 408 I HN -0.089 nan 8.210 nan 0.000 0.424 409 V N 4.946 124.833 119.914 -0.044 0.000 2.357 409 V HA 0.306 4.426 4.120 -0.000 0.000 0.284 409 V C -1.092 174.908 176.094 -0.155 0.000 1.018 409 V CA -0.450 61.835 62.300 -0.026 0.000 0.841 409 V CB 1.026 32.984 31.823 0.225 0.000 0.991 409 V HN 0.551 nan 8.190 nan 0.000 0.437 410 W N 5.370 126.566 121.300 -0.174 0.000 2.433 410 W HA 0.704 5.364 4.660 -0.000 0.000 0.315 410 W C -0.195 176.204 176.519 -0.200 0.000 1.087 410 W CA -0.556 56.701 57.345 -0.146 0.000 1.205 410 W CB 1.047 30.419 29.460 -0.147 0.000 1.288 410 W HN 0.346 nan 8.180 nan 0.000 0.504 411 I N 3.733 124.351 120.570 0.081 0.000 2.390 411 I HA 0.205 4.375 4.170 -0.000 0.000 0.283 411 I C -0.093 176.052 176.117 0.046 0.000 1.016 411 I CA -0.847 60.460 61.300 0.011 0.000 1.151 411 I CB 0.790 38.799 38.000 0.016 0.000 1.293 411 I HN 0.314 nan 8.210 nan 0.000 0.458 412 Q N 4.807 124.624 119.800 0.027 0.000 2.230 412 Q HA 0.392 4.731 4.340 -0.000 0.000 0.253 412 Q C -0.889 175.131 176.000 0.033 0.000 0.919 412 Q CA -0.423 55.406 55.803 0.042 0.000 0.908 412 Q CB 2.089 30.859 28.738 0.053 0.000 1.245 412 Q HN 0.398 nan 8.270 nan 0.000 0.437 413 D N 1.446 121.869 120.400 0.039 0.000 2.668 413 D HA 0.111 4.751 4.640 -0.000 0.000 0.234 413 D C -1.732 174.581 176.300 0.022 0.000 1.349 413 D CA 0.047 54.075 54.000 0.047 0.000 0.889 413 D CB 0.827 41.698 40.800 0.118 0.000 1.520 413 D HN 0.427 nan 8.370 nan 0.000 0.521 414 T N -0.046 114.511 114.554 0.006 0.000 2.900 414 T HA 0.550 4.900 4.350 -0.000 0.000 0.295 414 T C 0.832 175.517 174.700 -0.024 0.000 1.044 414 T CA -0.245 61.849 62.100 -0.010 0.000 0.995 414 T CB 1.382 70.243 68.868 -0.011 0.000 1.072 414 T HN 0.126 nan 8.240 nan 0.000 0.473 415 T N 0.255 114.791 114.554 -0.030 0.000 3.134 415 T HA 0.608 4.958 4.350 -0.000 0.000 0.260 415 T C 1.084 175.752 174.700 -0.054 0.000 1.027 415 T CA 0.272 62.353 62.100 -0.032 0.000 0.913 415 T CB -0.271 68.586 68.868 -0.018 0.000 1.046 415 T HN 1.437 nan 8.240 nan 0.000 0.553 416 G N 1.238 109.995 108.800 -0.072 0.000 2.373 416 G HA2 0.084 4.044 3.960 -0.000 0.000 0.634 416 G HA3 0.084 4.044 3.960 -0.000 0.000 0.634 416 G C -1.277 173.546 174.900 -0.129 0.000 1.267 416 G CA -0.849 44.194 45.100 -0.095 0.000 1.008 416 G HN 0.441 nan 8.290 nan 0.000 0.497 417 I N 0.678 121.168 120.570 -0.134 0.000 2.460 417 I HA 0.323 4.493 4.170 -0.000 0.000 0.298 417 I C 0.209 176.213 176.117 -0.189 0.000 0.989 417 I CA -0.681 60.518 61.300 -0.169 0.000 1.173 417 I CB 1.673 39.605 38.000 -0.113 0.000 1.338 417 I HN 0.617 nan 8.210 nan 0.000 0.456 418 D N 4.313 124.537 120.400 -0.293 0.000 2.506 418 D HA 0.202 4.842 4.640 -0.000 0.000 0.234 418 D C -0.489 175.773 176.300 -0.063 0.000 1.143 418 D CA 0.208 54.090 54.000 -0.198 0.000 0.871 418 D CB 0.893 41.591 40.800 -0.169 0.000 1.190 418 D HN 0.303 nan 8.370 nan 0.000 0.459 419 V N 0.027 119.930 119.914 -0.018 0.000 3.158 419 V HA 1.041 5.160 4.120 -0.000 0.000 0.315 419 V C 0.400 176.509 176.094 0.025 0.000 1.148 419 V CA -0.124 62.172 62.300 -0.006 0.000 1.042 419 V CB 1.080 32.894 31.823 -0.016 0.000 1.101 419 V HN 1.001 nan 8.190 nan 0.000 0.448 420 G N 1.016 109.825 108.800 0.014 0.000 2.555 420 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 420 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 420 G C -0.175 174.736 174.900 0.017 0.000 1.275 420 G CA 0.019 45.133 45.100 0.023 0.000 0.871 420 G HN 0.948 nan 8.290 nan 0.000 0.603 421 N N -0.085 118.625 118.700 0.016 0.000 2.453 421 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 421 N C 1.545 177.060 175.510 0.007 0.000 1.041 421 N CA 1.255 54.307 53.050 0.004 0.000 0.900 421 N CB -0.033 38.456 38.487 0.004 0.000 0.961 421 N HN 0.552 nan 8.380 nan 0.000 0.443 422 D N 0.748 121.180 120.400 0.054 0.000 2.097 422 D HA -0.028 4.612 4.640 -0.000 0.000 0.197 422 D C 1.823 178.108 176.300 -0.025 0.000 0.984 422 D CA 0.863 54.927 54.000 0.106 0.000 0.826 422 D CB -0.133 40.817 40.800 0.250 0.000 0.973 422 D HN 0.176 nan 8.370 nan 0.000 0.460 423 A N 1.535 124.365 122.820 0.017 0.000 1.877 423 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 423 A C 2.059 179.518 177.584 -0.209 0.000 1.186 423 A CA 1.317 53.260 52.037 -0.157 0.000 0.620 423 A CB -0.326 18.681 19.000 0.011 0.000 0.822 423 A HN 0.028 nan 8.150 nan 0.000 0.443 424 E N 0.338 120.475 120.200 -0.105 0.000 2.085 424 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 424 E C 1.908 178.442 176.600 -0.111 0.000 0.994 424 E CA 1.396 57.742 56.400 -0.090 0.000 0.801 424 E CB -0.355 29.315 29.700 -0.050 0.000 0.743 424 E HN 0.666 nan 8.360 nan 0.000 0.453 425 K N 0.336 120.669 120.400 -0.111 0.000 2.211 425 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 425 K C 1.754 178.258 176.600 -0.159 0.000 1.050 425 K CA 0.858 57.085 56.287 -0.101 0.000 0.945 425 K CB 0.040 32.504 32.500 -0.061 0.000 0.732 425 K HN -0.001 nan 8.250 nan 0.000 0.451 426 A N 1.189 123.824 122.820 -0.309 0.000 2.259 426 A HA -0.039 4.281 4.320 -0.000 0.000 0.208 426 A C -0.124 177.305 177.584 -0.259 0.000 1.201 426 A CA 0.321 52.105 52.037 -0.422 0.000 0.824 426 A CB -0.384 17.932 19.000 -1.141 0.000 0.838 426 A HN 0.402 nan 8.150 nan 0.000 0.485 427 E N -1.482 118.614 120.200 -0.174 0.000 2.868 427 E HA -0.235 4.115 4.350 -0.000 0.000 0.278 427 E C 0.657 177.204 176.600 -0.090 0.000 1.009 427 E CA 0.647 56.984 56.400 -0.103 0.000 0.856 427 E CB -2.307 27.353 29.700 -0.066 0.000 1.428 427 E HN 0.693 nan 8.360 nan 0.000 0.423 428 L N 0.020 121.172 121.223 -0.119 0.000 2.187 428 L HA -0.156 4.183 4.340 -0.000 0.000 0.213 428 L C 2.550 179.392 176.870 -0.047 0.000 1.100 428 L CA 1.223 56.016 54.840 -0.078 0.000 0.765 428 L CB -0.441 41.563 42.059 -0.091 0.000 0.904 428 L HN 0.351 nan 8.230 nan 0.000 0.437 429 L N -0.116 121.079 121.223 -0.047 0.000 2.027 429 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 429 L C 2.502 179.360 176.870 -0.019 0.000 1.074 429 L CA 1.613 56.436 54.840 -0.028 0.000 0.745 429 L CB -0.611 41.431 42.059 -0.028 0.000 0.898 429 L HN 0.277 nan 8.230 nan 0.000 0.433 430 G N -0.260 108.524 108.800 -0.027 0.000 2.402 430 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 430 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 430 G C 1.562 176.456 174.900 -0.011 0.000 1.162 430 G CA 0.521 45.607 45.100 -0.023 0.000 0.777 430 G HN 0.319 nan 8.290 nan 0.000 0.539 431 L N 0.702 121.921 121.223 -0.006 0.000 2.156 431 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 431 L C 3.118 180.006 176.870 0.030 0.000 1.095 431 L CA 0.777 55.627 54.840 0.017 0.000 0.770 431 L CB -0.475 41.598 42.059 0.023 0.000 0.914 431 L HN 0.324 nan 8.230 nan 0.000 0.439 432 G N -0.667 108.143 108.800 0.016 0.000 2.402 432 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.216 432 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.216 432 G C 1.525 176.443 174.900 0.031 0.000 1.162 432 G CA 0.602 45.715 45.100 0.021 0.000 0.777 432 G HN 0.264 nan 8.290 nan 0.000 0.539 433 Q N 0.871 120.687 119.800 0.028 0.000 2.172 433 Q HA 0.042 4.382 4.340 -0.000 0.000 0.200 433 Q C 2.635 178.675 176.000 0.066 0.000 0.964 433 Q CA 1.608 57.434 55.803 0.039 0.000 0.855 433 Q CB -0.410 28.343 28.738 0.025 0.000 0.918 433 Q HN 0.355 nan 8.270 nan 0.000 0.444 434 S N 0.201 115.930 115.700 0.048 0.000 2.382 434 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 434 S C 1.563 176.238 174.600 0.126 0.000 1.027 434 S CA 1.122 59.360 58.200 0.064 0.000 0.991 434 S CB -0.384 62.833 63.200 0.027 0.000 0.823 434 S HN 0.429 nan 8.310 nan 0.000 0.469 435 L N 1.857 123.139 121.223 0.099 0.000 2.093 435 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 435 L C 1.849 178.765 176.870 0.077 0.000 1.085 435 L CA 1.462 56.368 54.840 0.110 0.000 0.755 435 L CB -0.580 41.539 42.059 0.099 0.000 0.904 435 L HN 0.285 nan 8.230 nan 0.000 0.435 436 I N -1.673 118.926 120.570 0.047 0.000 2.286 436 I HA -0.342 3.828 4.170 -0.000 0.000 0.248 436 I C 2.344 178.476 176.117 0.025 0.000 1.115 436 I CA 1.555 62.854 61.300 -0.001 0.000 1.392 436 I CB -0.370 37.625 38.000 -0.008 0.000 1.065 436 I HN 0.340 nan 8.210 nan 0.000 0.418 437 Y N 1.429 121.710 120.300 -0.033 0.000 2.163 437 Y HA -0.270 4.280 4.550 -0.000 0.000 0.288 437 Y C 2.852 178.734 175.900 -0.031 0.000 1.136 437 Y CA 1.958 60.038 58.100 -0.033 0.000 1.147 437 Y CB -0.157 38.292 38.460 -0.018 0.000 0.987 437 Y HN 0.029 nan 8.280 nan 0.000 0.509 438 S N 0.632 116.456 115.700 0.206 0.000 2.374 438 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 438 S C 1.995 176.600 174.600 0.009 0.000 1.037 438 S CA 1.857 60.132 58.200 0.125 0.000 1.024 438 S CB -0.557 62.734 63.200 0.151 0.000 0.861 438 S HN 0.477 nan 8.310 nan 0.000 0.456 439 I N 1.102 121.677 120.570 0.009 0.000 2.163 439 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 439 I C 2.750 178.789 176.117 -0.130 0.000 1.081 439 I CA 1.272 62.560 61.300 -0.020 0.000 1.353 439 I CB -0.378 37.594 38.000 -0.046 0.000 1.054 439 I HN 0.250 nan 8.210 nan 0.000 0.407 440 Q N 0.259 119.946 119.800 -0.188 0.000 2.234 440 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 440 Q C 1.971 177.743 176.000 -0.380 0.000 0.980 440 Q CA 1.989 57.634 55.803 -0.263 0.000 0.869 440 Q CB -0.373 28.201 28.738 -0.273 0.000 0.912 440 Q HN 0.310 nan 8.270 nan 0.000 0.436 441 T N -1.217 113.087 114.554 -0.417 0.000 3.105 441 T HA 0.113 4.463 4.350 -0.000 0.000 0.253 441 T C 1.324 175.745 174.700 -0.465 0.000 1.047 441 T CA 0.623 62.438 62.100 -0.476 0.000 0.944 441 T CB -0.222 68.419 68.868 -0.378 0.000 1.016 441 T HN 0.508 nan 8.240 nan 0.000 0.544 442 S N 0.580 116.071 115.700 -0.347 0.000 2.387 442 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 442 S C 0.899 175.417 174.600 -0.137 0.000 1.026 442 S CA 0.802 58.889 58.200 -0.187 0.000 0.972 442 S CB -0.474 62.674 63.200 -0.087 0.000 0.814 442 S HN 0.702 nan 8.310 nan 0.000 0.477 443 H N 1.263 120.301 119.070 -0.054 0.000 2.899 443 H HA -0.121 4.435 4.556 -0.000 0.000 0.282 443 H C -0.138 175.150 175.328 -0.067 0.000 1.198 443 H CA 1.313 57.327 56.048 -0.056 0.000 1.140 443 H CB -2.571 27.152 29.762 -0.065 0.000 1.317 443 H HN 0.762 nan 8.280 nan 0.000 0.375 444 I N -1.536 119.036 120.570 0.004 0.000 2.608 444 I HA 0.549 4.719 4.170 -0.000 0.000 0.295 444 I C -2.476 173.654 176.117 0.020 0.000 1.049 444 I CA -2.435 58.849 61.300 -0.027 0.000 1.063 444 I CB 2.798 40.761 38.000 -0.061 0.000 1.248 444 I HN -0.301 nan 8.210 nan 0.000 0.424 445 P HA 0.185 nan 4.420 nan 0.000 0.271 445 P C -1.330 176.166 177.300 0.326 0.000 1.216 445 P CA 0.115 63.292 63.100 0.130 0.000 0.776 445 P CB 1.030 32.737 31.700 0.012 0.000 0.881 446 Q N 1.153 121.160 119.800 0.345 0.000 2.421 446 Q HA 0.622 4.962 4.340 -0.000 0.000 0.280 446 Q C -1.420 174.517 176.000 -0.106 0.000 1.085 446 Q CA -0.643 55.321 55.803 0.268 0.000 0.807 446 Q CB 2.349 31.269 28.738 0.303 0.000 1.405 446 Q HN 0.391 nan 8.270 nan 0.000 0.419 447 F N 1.358 120.909 119.950 -0.664 0.000 2.540 447 F HA 0.453 4.980 4.527 -0.000 0.000 0.317 447 F C -1.078 174.499 175.800 -0.372 0.000 1.104 447 F CA -0.952 56.458 58.000 -0.984 0.000 0.913 447 F CB 1.705 39.559 39.000 -1.910 0.000 1.170 447 F HN 0.419 nan 8.300 nan 0.000 0.450 448 E N 6.971 126.827 120.200 -0.572 0.000 2.199 448 E HA 0.410 4.760 4.350 -0.000 0.000 0.265 448 E C -1.551 174.655 176.600 -0.658 0.000 0.882 448 E CA -0.500 55.617 56.400 -0.471 0.000 0.759 448 E CB 1.617 31.159 29.700 -0.263 0.000 1.148 448 E HN 0.737 nan 8.360 nan 0.000 0.412 449 I N 3.344 123.589 120.570 -0.541 0.000 2.382 449 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 449 I C -0.004 176.002 176.117 -0.186 0.000 1.007 449 I CA -0.490 60.559 61.300 -0.417 0.000 1.142 449 I CB 1.837 39.580 38.000 -0.429 0.000 1.289 449 I HN 0.265 nan 8.210 nan 0.000 0.453 450 T N 7.070 121.549 114.554 -0.125 0.000 3.176 450 T HA 0.085 4.435 4.350 -0.000 0.000 0.301 450 T C 1.078 175.732 174.700 -0.077 0.000 1.115 450 T CA -0.285 61.777 62.100 -0.063 0.000 1.027 450 T CB 0.359 69.202 68.868 -0.041 0.000 1.063 450 T HN 0.389 nan 8.240 nan 0.000 0.669 451 L N 3.922 125.105 121.223 -0.065 0.000 1.989 451 L HA -0.034 4.305 4.340 -0.000 0.000 0.211 451 L C 1.767 178.598 176.870 -0.064 0.000 1.071 451 L CA 1.961 56.759 54.840 -0.071 0.000 0.749 451 L CB -0.114 41.922 42.059 -0.039 0.000 0.890 451 L HN 0.437 nan 8.230 nan 0.000 0.431 452 R N -1.912 118.572 120.500 -0.028 0.000 2.588 452 R HA 0.284 4.624 4.340 -0.000 0.000 0.115 452 R C -0.094 176.187 176.300 -0.032 0.000 1.578 452 R CA -0.708 55.378 56.100 -0.023 0.000 1.329 452 R CB -0.009 30.306 30.300 0.025 0.000 1.152 452 R HN -0.094 nan 8.270 nan 0.000 0.437 453 K N 1.026 121.419 120.400 -0.011 0.000 2.249 453 K HA 0.336 4.656 4.320 -0.000 0.000 0.280 453 K C -0.431 176.130 176.600 -0.065 0.000 1.033 453 K CA -0.094 56.170 56.287 -0.038 0.000 0.946 453 K CB 1.499 33.990 32.500 -0.015 0.000 1.005 453 K HN 0.482 nan 8.250 nan 0.000 0.469 454 G N 2.026 110.738 108.800 -0.145 0.000 2.990 454 G HA2 0.360 4.320 3.960 -0.000 0.000 0.300 454 G HA3 0.360 4.320 3.960 -0.000 0.000 0.300 454 G C -0.678 174.049 174.900 -0.289 0.000 1.498 454 G CA -0.393 44.557 45.100 -0.250 0.000 1.074 454 G HN 0.549 nan 8.290 nan 0.000 0.542 455 T N -0.898 113.565 114.554 -0.152 0.000 2.896 455 T HA 0.878 5.228 4.350 -0.000 0.000 0.297 455 T C 0.620 175.231 174.700 -0.149 0.000 1.108 455 T CA 0.338 62.355 62.100 -0.139 0.000 1.004 455 T CB 1.812 70.633 68.868 -0.078 0.000 1.159 455 T HN 2.331 nan 8.240 nan 0.000 0.499 456 A N 1.138 123.854 122.820 -0.174 0.000 6.069 456 A HA 0.090 4.410 4.320 -0.000 0.000 0.278 456 A C 1.831 179.150 177.584 -0.441 0.000 2.017 456 A CA 1.260 53.162 52.037 -0.225 0.000 0.717 456 A CB -1.839 17.079 19.000 -0.136 0.000 1.159 456 A HN 2.437 nan 8.150 nan 0.000 0.378 457 A N -1.922 120.678 122.820 -0.366 0.000 2.066 457 A HA 0.361 4.681 4.320 -0.000 0.000 0.218 457 A C 2.562 179.986 177.584 -0.265 0.000 1.157 457 A CA 2.148 53.937 52.037 -0.414 0.000 0.670 457 A CB -1.181 17.749 19.000 -0.116 0.000 0.804 457 A HN 2.465 nan 8.150 nan 0.000 0.453 458 A N -0.604 122.107 122.820 -0.181 0.000 1.978 458 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 458 A C 1.961 179.493 177.584 -0.088 0.000 1.170 458 A CA 2.050 54.025 52.037 -0.103 0.000 0.636 458 A CB -0.794 18.160 19.000 -0.077 0.000 0.810 458 A HN 0.748 nan 8.150 nan 0.000 0.448 459 H N -1.544 117.385 119.070 -0.235 0.000 2.421 459 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 459 H C 1.610 176.894 175.328 -0.074 0.000 1.087 459 H CA 2.004 57.946 56.048 -0.177 0.000 1.330 459 H CB -0.353 29.287 29.762 -0.205 0.000 1.388 459 H HN 0.689 nan 8.280 nan 0.000 0.526 460 Y N -0.640 119.521 120.300 -0.232 0.000 2.153 460 Y HA -0.165 4.385 4.550 -0.000 0.000 0.289 460 Y C 2.822 178.530 175.900 -0.322 0.000 1.127 460 Y CA 0.798 58.719 58.100 -0.300 0.000 1.131 460 Y CB -0.195 38.167 38.460 -0.165 0.000 0.995 460 Y HN 0.228 nan 8.280 nan 0.000 0.505 461 V N -0.630 119.248 119.914 -0.061 0.000 2.626 461 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 461 V C 1.084 176.975 176.094 -0.338 0.000 1.067 461 V CA 1.208 63.420 62.300 -0.147 0.000 1.081 461 V CB -0.911 30.881 31.823 -0.052 0.000 0.686 461 V HN 0.307 nan 8.190 nan 0.000 0.468 462 L N 2.586 123.599 121.223 -0.350 0.000 2.672 462 L HA 0.477 4.817 4.340 -0.000 0.000 0.238 462 L C 1.508 177.708 176.870 -1.116 0.000 1.392 462 L CA 0.382 54.937 54.840 -0.474 0.000 1.238 462 L CB -0.883 41.130 42.059 -0.076 0.000 1.548 462 L HN 0.604 nan 8.230 nan 0.000 0.423 463 G N 0.598 108.309 108.800 -1.815 0.000 2.305 463 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.287 463 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.287 463 G C 0.681 175.042 174.900 -0.898 0.000 1.036 463 G CA 0.069 44.029 45.100 -1.900 0.000 0.887 463 G HN 0.667 nan 8.290 nan 0.000 0.505 464 G N -0.539 107.875 108.800 -0.644 0.000 2.690 464 G HA2 0.425 4.385 3.960 -0.000 0.000 0.239 464 G HA3 0.425 4.385 3.960 -0.000 0.000 0.239 464 G C -0.437 174.239 174.900 -0.372 0.000 1.233 464 G CA -0.192 44.594 45.100 -0.523 0.000 0.847 464 G HN 0.166 nan 8.290 nan 0.000 0.588 465 P HA -0.045 nan 4.420 nan 0.000 0.228 465 P C 1.410 178.615 177.300 -0.158 0.000 1.151 465 P CA 0.705 63.707 63.100 -0.162 0.000 0.770 465 P CB 0.246 31.900 31.700 -0.076 0.000 0.786 466 Q N -0.473 119.202 119.800 -0.207 0.000 2.364 466 Q HA 0.034 4.373 4.340 -0.000 0.000 0.209 466 Q C 1.476 177.358 176.000 -0.197 0.000 0.977 466 Q CA 1.020 56.693 55.803 -0.218 0.000 0.885 466 Q CB -1.054 27.485 28.738 -0.330 0.000 0.941 466 Q HN 0.171 nan 8.270 nan 0.000 0.464 467 G N 0.183 108.865 108.800 -0.196 0.000 3.161 467 G HA2 0.084 4.044 3.960 -0.000 0.000 0.293 467 G HA3 0.084 4.044 3.960 -0.000 0.000 0.293 467 G C -0.089 174.738 174.900 -0.122 0.000 0.893 467 G CA -0.553 44.447 45.100 -0.166 0.000 1.756 467 G HN 0.310 nan 8.290 nan 0.000 0.549 468 N N 0.998 119.636 118.700 -0.103 0.000 2.192 468 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 468 N C 1.098 176.580 175.510 -0.047 0.000 1.013 468 N CA 0.996 54.004 53.050 -0.070 0.000 0.863 468 N CB 0.248 38.694 38.487 -0.067 0.000 0.990 468 N HN 0.357 nan 8.380 nan 0.000 0.430 469 D N -0.104 120.264 120.400 -0.054 0.000 2.162 469 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 469 D C 2.239 178.533 176.300 -0.010 0.000 0.967 469 D CA 1.440 55.422 54.000 -0.029 0.000 0.840 469 D CB -0.237 40.538 40.800 -0.042 0.000 0.972 469 D HN 0.428 nan 8.370 nan 0.000 0.482 470 T N -1.658 112.878 114.554 -0.030 0.000 3.031 470 T HA -0.051 4.298 4.350 -0.000 0.000 0.254 470 T C 0.981 175.698 174.700 0.028 0.000 1.060 470 T CA -0.142 61.959 62.100 0.001 0.000 1.135 470 T CB -0.013 68.844 68.868 -0.019 0.000 0.896 470 T HN -0.077 nan 8.240 nan 0.000 0.472 471 N N 1.460 120.149 118.700 -0.018 0.000 2.405 471 N HA 0.294 5.034 4.740 -0.000 0.000 0.260 471 N C 1.290 176.814 175.510 0.023 0.000 1.152 471 N CA 0.293 53.328 53.050 -0.026 0.000 0.948 471 N CB 1.281 39.711 38.487 -0.095 0.000 1.111 471 N HN 0.354 nan 8.380 nan 0.000 0.485 472 A N 4.265 127.122 122.820 0.061 0.000 1.933 472 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 472 A C 0.313 178.084 177.584 0.312 0.000 1.175 472 A CA 1.297 53.445 52.037 0.184 0.000 0.628 472 A CB -0.391 18.789 19.000 0.300 0.000 0.814 472 A HN 0.833 nan 8.150 nan 0.000 0.444 473 F N -4.332 115.656 119.950 0.064 0.000 2.985 473 F HA 0.489 5.016 4.527 -0.000 0.000 0.332 473 F C -0.837 175.053 175.800 0.151 0.000 1.126 473 F CA -0.872 57.159 58.000 0.052 0.000 0.884 473 F CB 0.194 39.203 39.000 0.016 0.000 1.361 473 F HN 0.182 nan 8.300 nan 0.000 0.450 474 S N 1.236 117.105 115.700 0.281 0.000 2.569 474 S HA 0.930 5.399 4.470 -0.000 0.000 0.280 474 S C -0.973 173.763 174.600 0.227 0.000 1.111 474 S CA -0.374 57.910 58.200 0.141 0.000 0.887 474 S CB 2.042 65.246 63.200 0.007 0.000 1.095 474 S HN 1.424 nan 8.310 nan 0.000 0.476 475 I N -1.349 119.278 120.570 0.094 0.000 3.108 475 I HA 1.018 5.188 4.170 -0.000 0.000 0.312 475 I C 0.101 176.169 176.117 -0.081 0.000 1.095 475 I CA -1.159 60.151 61.300 0.016 0.000 1.000 475 I CB 1.732 39.706 38.000 -0.045 0.000 1.229 475 I HN 0.884 nan 8.210 nan 0.000 0.454 476 G N 0.343 109.085 108.800 -0.097 0.000 2.949 476 G HA2 0.763 4.723 3.960 -0.000 0.000 0.285 476 G HA3 0.763 4.723 3.960 -0.000 0.000 0.285 476 G C -0.957 173.873 174.900 -0.117 0.000 1.395 476 G CA -0.121 44.919 45.100 -0.101 0.000 0.901 476 G HN 0.953 nan 8.290 nan 0.000 0.519 477 T N -4.266 110.225 114.554 -0.105 0.000 2.669 477 T HA 0.611 4.961 4.350 -0.000 0.000 0.283 477 T C 1.490 176.141 174.700 -0.082 0.000 1.019 477 T CA 0.619 62.657 62.100 -0.104 0.000 1.039 477 T CB 1.234 70.031 68.868 -0.118 0.000 1.374 477 T HN 1.307 nan 8.240 nan 0.000 0.523 478 A N -0.074 122.708 122.820 -0.064 0.000 2.067 478 A HA 0.417 4.737 4.320 -0.000 0.000 0.219 478 A C 2.239 179.799 177.584 -0.040 0.000 1.158 478 A CA 1.457 53.473 52.037 -0.036 0.000 0.661 478 A CB -1.294 17.713 19.000 0.011 0.000 0.801 478 A HN 1.286 nan 8.150 nan 0.000 0.452 479 A N -0.998 121.787 122.820 -0.058 0.000 2.275 479 A HA 0.326 4.646 4.320 -0.000 0.000 0.212 479 A C 1.013 178.563 177.584 -0.058 0.000 1.201 479 A CA 0.401 52.405 52.037 -0.056 0.000 0.843 479 A CB -0.486 18.463 19.000 -0.085 0.000 0.873 479 A HN 0.283 nan 8.150 nan 0.000 0.492 480 T N 1.947 116.459 114.554 -0.070 0.000 2.918 480 T HA 0.390 4.740 4.350 -0.000 0.000 0.302 480 T C -0.181 174.468 174.700 -0.086 0.000 1.045 480 T CA 0.205 62.258 62.100 -0.078 0.000 1.114 480 T CB 0.337 69.153 68.868 -0.086 0.000 0.965 480 T HN 0.638 nan 8.240 nan 0.000 0.540 481 E N 2.028 122.172 120.200 -0.094 0.000 2.406 481 E HA 0.458 4.808 4.350 -0.000 0.000 0.297 481 E C -1.695 174.826 176.600 -0.131 0.000 0.917 481 E CA -0.688 55.647 56.400 -0.108 0.000 0.795 481 E CB 0.899 30.554 29.700 -0.075 0.000 1.285 481 E HN 0.446 nan 8.360 nan 0.000 0.400 482 I N 2.302 122.774 120.570 -0.163 0.000 2.436 482 I HA 0.810 4.980 4.170 -0.000 0.000 0.289 482 I C -0.555 175.444 176.117 -0.197 0.000 1.010 482 I CA -0.698 60.468 61.300 -0.224 0.000 1.098 482 I CB 1.845 39.673 38.000 -0.286 0.000 1.266 482 I HN 0.820 nan 8.210 nan 0.000 0.434 483 A N 4.201 126.910 122.820 -0.185 0.000 2.610 483 A HA 0.453 4.773 4.320 -0.000 0.000 0.291 483 A C 0.158 177.671 177.584 -0.119 0.000 1.086 483 A CA -0.377 51.554 52.037 -0.176 0.000 0.677 483 A CB 1.363 20.295 19.000 -0.113 0.000 1.278 483 A HN 0.505 nan 8.150 nan 0.000 0.414 484 V N 0.892 120.741 119.914 -0.108 0.000 2.392 484 V HA 0.052 4.172 4.120 -0.000 0.000 0.249 484 V C 0.660 176.774 176.094 0.033 0.000 1.059 484 V CA 3.327 65.610 62.300 -0.029 0.000 1.051 484 V CB -0.771 31.064 31.823 0.020 0.000 0.658 484 V HN 1.283 nan 8.190 nan 0.000 0.455 485 M N -1.945 117.753 119.600 0.163 0.000 3.196 485 M HA 0.339 4.819 4.480 -0.000 0.000 0.279 485 M C -0.657 175.778 176.300 0.226 0.000 1.173 485 M CA -0.697 54.685 55.300 0.137 0.000 0.820 485 M CB 1.036 33.693 32.600 0.094 0.000 1.621 485 M HN -0.068 nan 8.290 nan 0.000 0.521 486 N N 0.401 119.160 118.700 0.099 0.000 2.458 486 N HA 0.297 5.037 4.740 -0.000 0.000 0.258 486 N C 1.183 176.653 175.510 -0.067 0.000 1.219 486 N CA 1.561 54.650 53.050 0.066 0.000 0.902 486 N CB 1.278 39.772 38.487 0.013 0.000 1.076 486 N HN 0.810 nan 8.380 nan 0.000 0.455 487 G N 2.496 111.222 108.800 -0.123 0.000 2.469 487 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.219 487 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.219 487 G C 1.140 175.766 174.900 -0.457 0.000 1.150 487 G CA 0.522 45.217 45.100 -0.675 0.000 0.763 487 G HN 0.745 nan 8.290 nan 0.000 0.561 488 E N 0.497 120.575 120.200 -0.204 0.000 2.077 488 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 488 E C 2.571 179.099 176.600 -0.120 0.000 0.989 488 E CA 1.621 57.940 56.400 -0.135 0.000 0.800 488 E CB -0.503 29.153 29.700 -0.074 0.000 0.746 488 E HN 0.366 nan 8.360 nan 0.000 0.452 489 T N 1.049 115.539 114.554 -0.106 0.000 2.720 489 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 489 T C 1.925 176.571 174.700 -0.090 0.000 1.037 489 T CA 1.743 63.800 62.100 -0.072 0.000 1.144 489 T CB -0.333 68.510 68.868 -0.043 0.000 0.864 489 T HN 0.330 nan 8.240 nan 0.000 0.444 490 A N 1.449 124.166 122.820 -0.171 0.000 1.898 490 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 490 A C 2.684 180.190 177.584 -0.130 0.000 1.181 490 A CA 1.702 53.637 52.037 -0.170 0.000 0.620 490 A CB -1.168 17.629 19.000 -0.337 0.000 0.819 490 A HN 0.500 nan 8.150 nan 0.000 0.442 491 A N -0.048 122.674 122.820 -0.163 0.000 1.865 491 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 491 A C 2.505 180.151 177.584 0.102 0.000 1.191 491 A CA 2.909 54.950 52.037 0.007 0.000 0.623 491 A CB -1.556 17.410 19.000 -0.056 0.000 0.826 491 A HN 0.824 nan 8.150 nan 0.000 0.444 492 T N -2.324 112.242 114.554 0.020 0.000 2.821 492 T HA 0.106 4.456 4.350 -0.000 0.000 0.267 492 T C 1.896 176.610 174.700 0.024 0.000 1.046 492 T CA 1.674 63.794 62.100 0.034 0.000 1.139 492 T CB -0.542 68.327 68.868 0.001 0.000 0.871 492 T HN 0.603 nan 8.240 nan 0.000 0.454 493 A N 1.236 124.050 122.820 -0.009 0.000 1.969 493 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 493 A C 2.433 179.983 177.584 -0.056 0.000 1.169 493 A CA 1.552 53.574 52.037 -0.026 0.000 0.635 493 A CB -0.728 18.254 19.000 -0.030 0.000 0.810 493 A HN 0.605 nan 8.150 nan 0.000 0.445 494 M N -2.360 117.189 119.600 -0.086 0.000 2.288 494 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 494 M C 0.976 177.023 176.300 -0.423 0.000 1.072 494 M CA 1.507 56.646 55.300 -0.268 0.000 1.132 494 M CB 0.167 32.549 32.600 -0.364 0.000 1.386 494 M HN 0.476 nan 8.290 nan 0.000 0.432 495 Y N -1.065 119.219 120.300 -0.026 0.000 2.453 495 Y HA 0.182 4.732 4.550 -0.000 0.000 0.247 495 Y C 2.501 178.389 175.900 -0.020 0.000 1.124 495 Y CA 0.359 58.447 58.100 -0.021 0.000 1.243 495 Y CB -0.115 38.330 38.460 -0.024 0.000 1.213 495 Y HN 0.347 nan 8.280 nan 0.000 0.523 496 S N 1.025 116.781 115.700 0.095 0.000 2.380 496 S HA -0.352 4.118 4.470 -0.000 0.000 0.229 496 S C 2.102 176.725 174.600 0.039 0.000 1.043 496 S CA 1.713 59.945 58.200 0.053 0.000 1.038 496 S CB -0.493 62.721 63.200 0.023 0.000 0.872 496 S HN 0.546 nan 8.310 nan 0.000 0.456 497 R N 1.621 122.135 120.500 0.022 0.000 2.083 497 R HA -0.102 4.237 4.340 -0.000 0.000 0.237 497 R C 2.707 179.024 176.300 0.028 0.000 1.137 497 R CA 1.664 57.771 56.100 0.013 0.000 0.951 497 R CB -0.349 29.946 30.300 -0.008 0.000 0.851 497 R HN 0.578 nan 8.270 nan 0.000 0.434 498 R N 0.459 120.992 120.500 0.054 0.000 2.092 498 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 498 R C 2.339 178.675 176.300 0.060 0.000 1.119 498 R CA 1.275 57.418 56.100 0.071 0.000 0.970 498 R CB -0.231 30.151 30.300 0.136 0.000 0.864 498 R HN 0.295 nan 8.270 nan 0.000 0.440 499 L N 0.247 121.509 121.223 0.064 0.000 2.012 499 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 499 L C 2.716 179.599 176.870 0.022 0.000 1.073 499 L CA 1.480 56.342 54.840 0.037 0.000 0.748 499 L CB -0.627 41.452 42.059 0.033 0.000 0.891 499 L HN 0.345 nan 8.230 nan 0.000 0.431 500 A N -0.007 122.826 122.820 0.021 0.000 1.873 500 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 500 A C 2.397 179.988 177.584 0.012 0.000 1.186 500 A CA 1.897 53.941 52.037 0.013 0.000 0.616 500 A CB -0.427 18.579 19.000 0.010 0.000 0.823 500 A HN 0.322 nan 8.150 nan 0.000 0.442 501 K N -0.444 119.965 120.400 0.015 0.000 2.002 501 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 501 K C 1.451 178.059 176.600 0.012 0.000 1.048 501 K CA 1.860 58.155 56.287 0.013 0.000 0.930 501 K CB -0.267 32.242 32.500 0.015 0.000 0.714 501 K HN 0.335 nan 8.250 nan 0.000 0.438 502 D N 0.035 120.444 120.400 0.016 0.000 2.123 502 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 502 D C 1.974 178.279 176.300 0.007 0.000 0.992 502 D CA 1.032 55.040 54.000 0.013 0.000 0.833 502 D CB -0.115 40.694 40.800 0.015 0.000 0.954 502 D HN 0.241 nan 8.370 nan 0.000 0.455 503 R N 0.718 121.222 120.500 0.006 0.000 2.081 503 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 503 R C 2.030 178.332 176.300 0.002 0.000 1.131 503 R CA 1.267 57.368 56.100 0.003 0.000 0.960 503 R CB 0.021 30.322 30.300 0.002 0.000 0.856 503 R HN 0.029 nan 8.270 nan 0.000 0.436 504 K N -0.454 119.948 120.400 0.004 0.000 2.283 504 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 504 K C 1.303 177.905 176.600 0.003 0.000 1.048 504 K CA 1.175 57.463 56.287 0.003 0.000 0.948 504 K CB 0.091 32.593 32.500 0.003 0.000 0.742 504 K HN 0.247 nan 8.250 nan 0.000 0.458 505 A N -0.028 122.794 122.820 0.004 0.000 2.275 505 A HA 0.246 4.566 4.320 -0.000 0.000 0.212 505 A C 1.221 178.807 177.584 0.002 0.000 1.201 505 A CA 0.577 52.615 52.037 0.003 0.000 0.843 505 A CB -0.145 18.858 19.000 0.005 0.000 0.873 505 A HN 0.457 nan 8.150 nan 0.000 0.492 506 G N -0.550 108.250 108.800 0.001 0.000 2.153 506 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 506 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 506 G C 0.082 174.982 174.900 -0.000 0.000 0.994 506 G CA 0.660 45.760 45.100 -0.000 0.000 0.698 506 G HN 0.453 nan 8.290 nan 0.000 0.521 507 K N 0.826 121.226 120.400 0.001 0.000 2.144 507 K HA 0.461 4.781 4.320 -0.000 0.000 0.270 507 K C 0.276 176.875 176.600 -0.002 0.000 1.005 507 K CA -0.894 55.393 56.287 0.000 0.000 0.932 507 K CB 0.699 33.201 32.500 0.004 0.000 1.021 507 K HN 0.192 nan 8.250 nan 0.000 0.462 508 D N 1.948 122.345 120.400 -0.005 0.000 2.493 508 D HA -0.059 4.581 4.640 -0.000 0.000 0.240 508 D C 0.434 176.726 176.300 -0.013 0.000 1.142 508 D CA 0.434 54.428 54.000 -0.010 0.000 0.872 508 D CB 0.659 41.452 40.800 -0.011 0.000 1.173 508 D HN 0.401 nan 8.370 nan 0.000 0.467 509 L N 2.858 124.070 121.223 -0.017 0.000 2.554 509 L HA -0.011 4.329 4.340 -0.000 0.000 0.225 509 L C 2.075 178.921 176.870 -0.041 0.000 1.104 509 L CA -0.130 54.696 54.840 -0.024 0.000 0.866 509 L CB -0.159 41.887 42.059 -0.020 0.000 1.047 509 L HN 0.388 nan 8.230 nan 0.000 0.468 510 Q N 1.605 121.382 119.800 -0.038 0.000 2.077 510 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 510 Q C -0.627 175.336 176.000 -0.063 0.000 0.989 510 Q CA 2.270 58.045 55.803 -0.046 0.000 0.853 510 Q CB -1.187 27.530 28.738 -0.035 0.000 0.907 510 Q HN 0.212 nan 8.270 nan 0.000 0.418 511 P HA -0.097 nan 4.420 nan 0.000 0.216 511 P C 0.955 178.184 177.300 -0.118 0.000 1.150 511 P CA 1.867 64.927 63.100 -0.067 0.000 0.837 511 P CB -0.146 31.529 31.700 -0.041 0.000 0.786 512 T N -0.937 113.540 114.554 -0.127 0.000 2.904 512 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 512 T C 1.709 176.230 174.700 -0.298 0.000 1.059 512 T CA 0.843 62.801 62.100 -0.236 0.000 1.137 512 T CB -0.713 68.080 68.868 -0.125 0.000 0.879 512 T HN 0.083 nan 8.240 nan 0.000 0.467 513 I N 1.200 121.666 120.570 -0.173 0.000 2.315 513 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 513 I C 2.229 178.254 176.117 -0.154 0.000 1.117 513 I CA 1.029 62.241 61.300 -0.147 0.000 1.404 513 I CB -0.304 37.642 38.000 -0.090 0.000 1.071 513 I HN 0.146 nan 8.210 nan 0.000 0.419 514 D N 1.329 121.647 120.400 -0.137 0.000 2.097 514 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 514 D C 2.146 178.361 176.300 -0.141 0.000 0.989 514 D CA 1.279 55.213 54.000 -0.111 0.000 0.827 514 D CB -0.181 40.571 40.800 -0.081 0.000 0.966 514 D HN 0.309 nan 8.370 nan 0.000 0.456 515 K N 0.157 120.427 120.400 -0.217 0.000 2.063 515 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 515 K C 2.326 178.763 176.600 -0.272 0.000 1.048 515 K CA 0.948 57.082 56.287 -0.256 0.000 0.928 515 K CB -0.137 32.113 32.500 -0.418 0.000 0.713 515 K HN 0.153 nan 8.250 nan 0.000 0.442 516 M N 0.878 120.252 119.600 -0.376 0.000 2.086 516 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 516 M C 1.746 177.974 176.300 -0.119 0.000 1.067 516 M CA 1.385 56.548 55.300 -0.228 0.000 1.116 516 M CB -0.370 32.109 32.600 -0.202 0.000 1.348 516 M HN 0.131 nan 8.290 nan 0.000 0.407 517 N N 0.499 119.133 118.700 -0.109 0.000 2.188 517 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 517 N C 1.336 176.824 175.510 -0.037 0.000 1.018 517 N CA 1.091 54.100 53.050 -0.068 0.000 0.858 517 N CB -0.602 37.847 38.487 -0.064 0.000 0.989 517 N HN 0.380 nan 8.380 nan 0.000 0.426 518 N N 1.230 119.910 118.700 -0.034 0.000 2.120 518 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 518 N C 1.837 177.377 175.510 0.049 0.000 1.024 518 N CA 0.411 53.465 53.050 0.007 0.000 0.852 518 N CB -0.489 38.000 38.487 0.004 0.000 1.003 518 N HN 0.171 nan 8.380 nan 0.000 0.424 519 L N 1.454 122.702 121.223 0.041 0.000 2.046 519 L HA -0.000 4.339 4.340 -0.000 0.000 0.208 519 L C 2.018 178.932 176.870 0.074 0.000 1.077 519 L CA 1.221 56.117 54.840 0.093 0.000 0.747 519 L CB -0.509 41.586 42.059 0.060 0.000 0.896 519 L HN 0.095 nan 8.230 nan 0.000 0.432 520 I N -0.846 119.708 120.570 -0.026 0.000 2.208 520 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 520 I C 2.519 178.705 176.117 0.115 0.000 1.097 520 I CA 1.429 62.712 61.300 -0.027 0.000 1.363 520 I CB -0.286 37.680 38.000 -0.056 0.000 1.051 520 I HN 0.418 nan 8.210 nan 0.000 0.413 521 Q N 1.341 121.200 119.800 0.097 0.000 2.084 521 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 521 Q C 2.155 178.280 176.000 0.209 0.000 0.978 521 Q CA 2.296 58.178 55.803 0.132 0.000 0.844 521 Q CB -0.336 28.445 28.738 0.072 0.000 0.898 521 Q HN 0.471 nan 8.270 nan 0.000 0.426 522 A N -0.511 122.428 122.820 0.198 0.000 1.902 522 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 522 A C 1.921 179.648 177.584 0.237 0.000 1.181 522 A CA 1.420 53.574 52.037 0.195 0.000 0.623 522 A CB -0.992 18.122 19.000 0.191 0.000 0.818 522 A HN 0.474 nan 8.150 nan 0.000 0.443 523 F N -1.577 118.412 119.950 0.064 0.000 2.161 523 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 523 F C 2.176 178.008 175.800 0.054 0.000 1.089 523 F CA 1.443 59.472 58.000 0.048 0.000 1.282 523 F CB -0.788 38.243 39.000 0.052 0.000 1.010 523 F HN 0.460 nan 8.300 nan 0.000 0.485 524 Y N 0.632 121.040 120.300 0.179 0.000 2.133 524 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 524 Y C 2.541 178.465 175.900 0.042 0.000 1.134 524 Y CA 2.269 60.422 58.100 0.088 0.000 1.133 524 Y CB -0.942 37.556 38.460 0.064 0.000 0.987 524 Y HN -0.046 nan 8.280 nan 0.000 0.502 525 T N 0.938 115.523 114.554 0.051 0.000 2.684 525 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 525 T C 1.551 176.181 174.700 -0.117 0.000 1.036 525 T CA 1.688 63.761 62.100 -0.045 0.000 1.148 525 T CB -0.165 68.740 68.868 0.062 0.000 0.863 525 T HN 0.123 nan 8.240 nan 0.000 0.436 526 K N 1.842 122.190 120.400 -0.087 0.000 2.525 526 K HA 0.141 4.461 4.320 -0.000 0.000 0.192 526 K C 1.916 178.420 176.600 -0.160 0.000 1.029 526 K CA 0.368 56.583 56.287 -0.120 0.000 1.029 526 K CB -0.044 32.380 32.500 -0.128 0.000 0.814 526 K HN 0.537 nan 8.250 nan 0.000 0.503 527 S N -0.793 114.794 115.700 -0.189 0.000 2.559 527 S HA 0.211 4.680 4.470 -0.000 0.000 0.226 527 S C 0.663 175.137 174.600 -0.211 0.000 1.000 527 S CA -0.629 57.458 58.200 -0.189 0.000 0.948 527 S CB 0.520 63.628 63.200 -0.154 0.000 0.870 527 S HN -0.055 nan 8.310 nan 0.000 0.497 528 R N 2.441 122.788 120.500 -0.256 0.000 2.738 528 R HA 0.286 4.626 4.340 -0.000 0.000 0.268 528 R C -1.864 174.348 176.300 -0.147 0.000 1.062 528 R CA -2.126 53.831 56.100 -0.238 0.000 1.158 528 R CB -0.834 29.315 30.300 -0.251 0.000 1.046 528 R HN 0.080 nan 8.270 nan 0.000 0.493 529 P HA -0.215 nan 4.420 nan 0.000 0.216 529 P C 1.157 178.414 177.300 -0.072 0.000 1.153 529 P CA 1.525 64.572 63.100 -0.088 0.000 0.858 529 P CB 0.132 31.786 31.700 -0.078 0.000 0.789 530 K N 0.066 120.424 120.400 -0.070 0.000 2.020 530 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 530 K C 1.763 178.334 176.600 -0.048 0.000 1.050 530 K CA 2.070 58.326 56.287 -0.052 0.000 0.929 530 K CB -0.766 31.704 32.500 -0.049 0.000 0.714 530 K HN -0.058 nan 8.250 nan 0.000 0.443 531 V N 0.961 120.836 119.914 -0.066 0.000 2.515 531 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 531 V C 2.595 178.660 176.094 -0.049 0.000 1.058 531 V CA 1.580 63.843 62.300 -0.062 0.000 1.064 531 V CB -0.514 31.259 31.823 -0.083 0.000 0.675 531 V HN 0.516 nan 8.190 nan 0.000 0.461 532 C N 0.411 119.677 119.300 -0.057 0.000 2.413 532 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 532 C C 3.100 178.094 174.990 0.007 0.000 1.248 532 C CA 0.995 59.990 59.018 -0.039 0.000 1.742 532 C CB -1.299 26.404 27.740 -0.060 0.000 2.017 532 C HN 0.633 nan 8.230 nan 0.000 0.481 533 A N 0.429 123.252 122.820 0.006 0.000 1.873 533 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 533 A C 1.988 179.628 177.584 0.093 0.000 1.186 533 A CA 1.646 53.711 52.037 0.047 0.000 0.616 533 A CB -0.607 18.405 19.000 0.020 0.000 0.823 533 A HN 0.686 nan 8.150 nan 0.000 0.442 534 E N -0.254 119.965 120.200 0.032 0.000 2.118 534 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 534 E C 1.759 178.334 176.600 -0.042 0.000 0.992 534 E CA 1.266 57.662 56.400 -0.007 0.000 0.804 534 E CB -0.225 29.451 29.700 -0.040 0.000 0.741 534 E HN 0.618 nan 8.360 nan 0.000 0.458 535 L N -1.235 119.990 121.223 0.003 0.000 2.446 535 L HA 0.144 4.484 4.340 -0.000 0.000 0.219 535 L C 1.428 178.414 176.870 0.193 0.000 1.116 535 L CA 0.471 55.315 54.840 0.007 0.000 0.844 535 L CB 0.174 42.230 42.059 -0.005 0.000 0.970 535 L HN 0.350 nan 8.230 nan 0.000 0.457 536 G N -0.182 108.786 108.800 0.280 0.000 2.131 536 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.223 536 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.223 536 G C 0.799 175.785 174.900 0.144 0.000 0.990 536 G CA 0.154 45.457 45.100 0.339 0.000 0.671 536 G HN 0.229 nan 8.290 nan 0.000 0.521 537 L N -0.543 120.737 121.223 0.094 0.000 2.187 537 L HA 0.084 4.424 4.340 -0.000 0.000 0.213 537 L C 1.492 178.398 176.870 0.060 0.000 1.100 537 L CA 1.788 56.665 54.840 0.061 0.000 0.765 537 L CB -0.723 41.339 42.059 0.004 0.000 0.904 537 L HN 0.587 nan 8.230 nan 0.000 0.437 538 V N -5.985 113.957 119.914 0.047 0.000 3.007 538 V HA 0.362 4.482 4.120 -0.000 0.000 0.311 538 V C 0.111 176.231 176.094 0.044 0.000 1.120 538 V CA -0.871 61.453 62.300 0.039 0.000 0.980 538 V CB 2.172 33.997 31.823 0.004 0.000 1.033 538 V HN -0.094 nan 8.190 nan 0.000 0.429 539 D N 0.803 121.238 120.400 0.057 0.000 2.323 539 D HA 0.156 4.796 4.640 -0.000 0.000 0.209 539 D C 0.208 176.516 176.300 0.014 0.000 0.973 539 D CA 1.066 55.077 54.000 0.018 0.000 0.874 539 D CB 0.580 41.404 40.800 0.041 0.000 0.930 539 D HN 0.705 nan 8.370 nan 0.000 0.521 540 E N 0.238 120.447 120.200 0.015 0.000 2.422 540 E HA 0.197 4.547 4.350 -0.000 0.000 0.289 540 E C -0.971 175.579 176.600 -0.083 0.000 0.985 540 E CA -0.507 55.874 56.400 -0.031 0.000 0.812 540 E CB 2.235 31.904 29.700 -0.052 0.000 1.226 540 E HN -0.122 nan 8.360 nan 0.000 0.419 541 I N 2.603 123.124 120.570 -0.083 0.000 2.325 541 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 541 I C 0.219 176.251 176.117 -0.141 0.000 1.019 541 I CA -0.499 60.737 61.300 -0.107 0.000 1.302 541 I CB 0.980 38.925 38.000 -0.092 0.000 1.401 541 I HN 0.177 nan 8.210 nan 0.000 0.485 542 V N 5.909 125.718 119.914 -0.176 0.000 2.581 542 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 542 V C -0.054 175.991 176.094 -0.082 0.000 1.041 542 V CA -1.002 61.193 62.300 -0.176 0.000 0.907 542 V CB 2.114 33.711 31.823 -0.376 0.000 0.994 542 V HN 0.570 nan 8.190 nan 0.000 0.442 543 D N 2.795 123.205 120.400 0.015 0.000 2.443 543 D HA 0.069 4.708 4.640 -0.000 0.000 0.239 543 D C 0.928 177.221 176.300 -0.010 0.000 1.136 543 D CA -0.165 53.884 54.000 0.082 0.000 0.879 543 D CB 0.861 41.803 40.800 0.236 0.000 1.195 543 D HN 0.406 nan 8.370 nan 0.000 0.443 544 M N 2.405 121.913 119.600 -0.153 0.000 2.143 544 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 544 M C 1.126 177.283 176.300 -0.238 0.000 1.071 544 M CA 1.569 56.642 55.300 -0.380 0.000 1.088 544 M CB -0.424 31.561 32.600 -1.026 0.000 1.360 544 M HN 0.426 nan 8.290 nan 0.000 0.404 545 N N -1.574 117.071 118.700 -0.092 0.000 2.268 545 N HA -0.005 4.734 4.740 -0.000 0.000 0.204 545 N C 0.550 176.114 175.510 0.091 0.000 1.124 545 N CA 0.317 53.388 53.050 0.034 0.000 0.838 545 N CB -0.064 38.515 38.487 0.154 0.000 0.994 545 N HN 0.215 nan 8.380 nan 0.000 0.489 546 K N 0.195 120.656 120.400 0.100 0.000 2.373 546 K HA 0.336 4.656 4.320 -0.000 0.000 0.200 546 K C 1.508 178.239 176.600 0.218 0.000 1.054 546 K CA -0.192 56.202 56.287 0.178 0.000 1.065 546 K CB 0.591 33.230 32.500 0.230 0.000 0.886 546 K HN 0.194 nan 8.250 nan 0.000 0.546 547 I N 0.894 121.525 120.570 0.102 0.000 2.163 547 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 547 I C 2.593 178.804 176.117 0.155 0.000 1.085 547 I CA 1.313 62.671 61.300 0.096 0.000 1.347 547 I CB -0.216 37.776 38.000 -0.012 0.000 1.044 547 I HN 0.127 nan 8.210 nan 0.000 0.408 548 R N 1.264 121.809 120.500 0.076 0.000 2.159 548 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 548 R C 2.269 178.622 176.300 0.088 0.000 1.131 548 R CA 1.438 57.559 56.100 0.034 0.000 0.982 548 R CB -0.439 29.859 30.300 -0.005 0.000 0.868 548 R HN 0.456 nan 8.270 nan 0.000 0.453 549 G N -0.401 108.485 108.800 0.144 0.000 2.422 549 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 549 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 549 G C 0.892 175.808 174.900 0.027 0.000 1.146 549 G CA 0.659 45.821 45.100 0.103 0.000 0.769 549 G HN 0.338 nan 8.290 nan 0.000 0.547 550 Y N 0.318 120.629 120.300 0.019 0.000 2.263 550 Y HA -0.006 4.544 4.550 -0.000 0.000 0.292 550 Y C 3.013 178.866 175.900 -0.078 0.000 1.130 550 Y CA 0.588 58.675 58.100 -0.021 0.000 1.179 550 Y CB -0.466 38.075 38.460 0.135 0.000 0.998 550 Y HN 0.036 nan 8.280 nan 0.000 0.532 551 V N 0.144 120.196 119.914 0.229 0.000 2.407 551 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 551 V C 1.979 178.128 176.094 0.092 0.000 1.055 551 V CA 2.074 64.499 62.300 0.209 0.000 1.049 551 V CB -0.502 31.362 31.823 0.069 0.000 0.662 551 V HN 0.431 nan 8.190 nan 0.000 0.455 552 E N 0.239 120.446 120.200 0.011 0.000 2.047 552 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 552 E C 2.376 178.850 176.600 -0.210 0.000 0.987 552 E CA 1.294 57.681 56.400 -0.023 0.000 0.799 552 E CB -0.374 29.346 29.700 0.033 0.000 0.752 552 E HN 0.590 nan 8.360 nan 0.000 0.449 553 A N 1.248 123.798 122.820 -0.450 0.000 1.883 553 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 553 A C 2.032 179.099 177.584 -0.862 0.000 1.186 553 A CA 1.422 52.734 52.037 -1.208 0.000 0.624 553 A CB -0.837 17.395 19.000 -1.279 0.000 0.822 553 A HN 0.365 nan 8.150 nan 0.000 0.444 554 F N 1.564 121.185 119.950 -0.549 0.000 2.069 554 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 554 F C 2.416 178.065 175.800 -0.252 0.000 1.113 554 F CA 2.502 60.263 58.000 -0.398 0.000 1.214 554 F CB -0.895 37.755 39.000 -0.585 0.000 0.978 554 F HN 0.210 nan 8.300 nan 0.000 0.474 555 T N 0.404 114.751 114.554 -0.346 0.000 2.708 555 T HA -0.189 4.160 4.350 -0.000 0.000 0.266 555 T C 1.720 176.329 174.700 -0.152 0.000 1.037 555 T CA 1.793 63.727 62.100 -0.276 0.000 1.146 555 T CB -0.429 68.492 68.868 0.088 0.000 0.865 555 T HN 0.425 nan 8.240 nan 0.000 0.435 556 E N 1.187 121.307 120.200 -0.134 0.000 2.153 556 E HA -0.035 4.314 4.350 -0.000 0.000 0.194 556 E C 2.563 179.174 176.600 0.017 0.000 0.988 556 E CA 0.898 57.319 56.400 0.035 0.000 0.811 556 E CB -0.214 29.597 29.700 0.184 0.000 0.746 556 E HN 0.503 nan 8.360 nan 0.000 0.466 557 A N 1.703 124.369 122.820 -0.257 0.000 1.873 557 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 557 A C 2.446 179.933 177.584 -0.162 0.000 1.186 557 A CA 1.490 53.442 52.037 -0.141 0.000 0.616 557 A CB -0.605 18.243 19.000 -0.253 0.000 0.823 557 A HN 0.278 nan 8.150 nan 0.000 0.442 558 A N -1.684 120.895 122.820 -0.401 0.000 1.940 558 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 558 A C 1.860 179.186 177.584 -0.430 0.000 1.176 558 A CA 1.564 53.300 52.037 -0.502 0.000 0.631 558 A CB -0.701 17.786 19.000 -0.854 0.000 0.814 558 A HN 0.632 nan 8.150 nan 0.000 0.446 559 Y N -0.922 119.229 120.300 -0.249 0.000 2.468 559 Y HA 0.123 4.673 4.550 -0.000 0.000 0.268 559 Y C 2.276 178.184 175.900 0.014 0.000 1.177 559 Y CA 0.510 58.459 58.100 -0.252 0.000 1.265 559 Y CB 0.082 38.421 38.460 -0.202 0.000 1.103 559 Y HN 0.498 nan 8.280 nan 0.000 0.522 560 Q N 1.206 121.125 119.800 0.199 0.000 2.119 560 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 560 Q C 0.470 176.684 176.000 0.356 0.000 0.972 560 Q CA 1.272 57.249 55.803 0.290 0.000 0.847 560 Q CB 0.220 29.107 28.738 0.248 0.000 0.903 560 Q HN 0.405 nan 8.270 nan 0.000 0.433 561 N N 0.026 118.890 118.700 0.272 0.000 2.679 561 N HA 0.224 4.964 4.740 -0.000 0.000 0.240 561 N C -2.848 172.765 175.510 0.172 0.000 1.537 561 N CA -1.101 52.154 53.050 0.341 0.000 0.793 561 N CB 1.008 39.644 38.487 0.250 0.000 1.391 561 N HN 0.005 nan 8.380 nan 0.000 0.524 562 P HA 0.064 nan 4.420 nan 0.000 0.267 562 P C 0.532 177.770 177.300 -0.103 0.000 1.200 562 P CA -0.014 62.994 63.100 -0.154 0.000 0.772 562 P CB 0.865 32.351 31.700 -0.357 0.000 0.855 563 E N -0.164 119.890 120.200 -0.243 0.000 2.299 563 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 563 E C 0.428 176.949 176.600 -0.131 0.000 0.998 563 E CA 0.894 57.155 56.400 -0.232 0.000 0.851 563 E CB 0.346 29.811 29.700 -0.392 0.000 0.795 563 E HN 0.298 nan 8.360 nan 0.000 0.492 564 S N -0.321 115.294 115.700 -0.142 0.000 2.569 564 S HA 0.648 5.118 4.470 -0.000 0.000 0.280 564 S C -1.059 173.474 174.600 -0.111 0.000 1.111 564 S CA -0.669 57.467 58.200 -0.108 0.000 0.887 564 S CB 1.016 64.142 63.200 -0.124 0.000 1.095 564 S HN -0.011 nan 8.310 nan 0.000 0.476 565 I N 1.903 122.437 120.570 -0.061 0.000 2.686 565 I HA 0.495 4.665 4.170 -0.000 0.000 0.295 565 I C -0.944 175.124 176.117 -0.083 0.000 1.114 565 I CA -0.705 60.568 61.300 -0.045 0.000 1.038 565 I CB 2.141 40.195 38.000 0.091 0.000 1.238 565 I HN 0.657 nan 8.210 nan 0.000 0.420 566 C N 7.401 126.613 119.300 -0.146 0.000 2.344 566 C HA 0.560 5.020 4.460 -0.000 0.000 0.326 566 C C -2.502 172.309 174.990 -0.297 0.000 1.201 566 C CA -1.893 57.015 59.018 -0.183 0.000 1.410 566 C CB 0.699 28.335 27.740 -0.173 0.000 2.070 566 C HN 0.471 nan 8.230 nan 0.000 0.445 567 P HA 0.079 nan 4.420 nan 0.000 0.264 567 P C 0.484 177.488 177.300 -0.492 0.000 1.183 567 P CA 0.374 63.193 63.100 -0.469 0.000 0.763 567 P CB 0.204 31.552 31.700 -0.586 0.000 0.807 568 F N 1.409 121.277 119.950 -0.136 0.000 2.091 568 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 568 F C 2.484 178.307 175.800 0.040 0.000 1.103 568 F CA 1.581 59.595 58.000 0.023 0.000 1.228 568 F CB -0.910 38.189 39.000 0.165 0.000 0.984 568 F HN 0.547 nan 8.300 nan 0.000 0.477 569 H N -0.305 118.912 119.070 0.246 0.000 2.567 569 H HA 0.001 4.556 4.556 -0.000 0.000 0.276 569 H C 0.913 176.275 175.328 0.056 0.000 1.016 569 H CA 0.952 57.078 56.048 0.130 0.000 1.186 569 H CB -0.762 29.067 29.762 0.112 0.000 1.351 569 H HN 0.460 nan 8.280 nan 0.000 0.605 570 Q N 0.363 120.037 119.800 -0.210 0.000 2.194 570 Q HA 0.295 4.635 4.340 -0.000 0.000 0.214 570 Q C -0.046 175.897 176.000 -0.095 0.000 0.838 570 Q CA -0.313 55.408 55.803 -0.137 0.000 0.972 570 Q CB 0.856 29.476 28.738 -0.198 0.000 1.131 570 Q HN 0.345 nan 8.270 nan 0.000 0.498 571 M N 0.528 120.091 119.600 -0.062 0.000 2.235 571 M HA 0.138 4.618 4.480 -0.000 0.000 0.351 571 M C 0.649 176.918 176.300 -0.052 0.000 1.178 571 M CA -0.002 55.272 55.300 -0.043 0.000 1.143 571 M CB 0.987 33.611 32.600 0.040 0.000 1.530 571 M HN 0.091 nan 8.290 nan 0.000 0.461 572 I N 1.903 122.439 120.570 -0.057 0.000 3.081 572 I HA -0.099 4.071 4.170 -0.000 0.000 0.274 572 I C 1.908 178.001 176.117 -0.040 0.000 1.178 572 I CA 0.729 62.001 61.300 -0.047 0.000 1.460 572 I CB -0.702 37.273 38.000 -0.042 0.000 1.137 572 I HN 0.683 nan 8.210 nan 0.000 0.443 573 L N 2.850 124.031 121.223 -0.069 0.000 2.013 573 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 573 L C -0.618 176.263 176.870 0.017 0.000 1.073 573 L CA 2.578 57.371 54.840 -0.078 0.000 0.753 573 L CB -1.932 40.024 42.059 -0.170 0.000 0.890 573 L HN 0.064 nan 8.230 nan 0.000 0.432 574 P HA -0.157 nan 4.420 nan 0.000 0.216 574 P C 1.385 178.742 177.300 0.095 0.000 1.150 574 P CA 1.701 64.826 63.100 0.041 0.000 0.837 574 P CB -0.098 31.518 31.700 -0.140 0.000 0.786 575 R N -0.627 119.873 120.500 0.000 0.000 2.093 575 R HA 0.087 4.426 4.340 -0.000 0.000 0.224 575 R C 2.286 178.680 176.300 0.156 0.000 1.101 575 R CA 1.247 57.418 56.100 0.119 0.000 0.979 575 R CB -0.994 29.322 30.300 0.026 0.000 0.877 575 R HN 0.133 nan 8.270 nan 0.000 0.441 576 A N 1.600 124.502 122.820 0.137 0.000 1.933 576 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 576 A C 2.149 179.894 177.584 0.268 0.000 1.175 576 A CA 1.105 53.263 52.037 0.201 0.000 0.628 576 A CB -0.446 18.694 19.000 0.234 0.000 0.814 576 A HN 0.151 nan 8.150 nan 0.000 0.444 577 I N -1.036 119.687 120.570 0.254 0.000 2.142 577 I HA -0.266 3.903 4.170 -0.000 0.000 0.240 577 I C 2.692 178.902 176.117 0.154 0.000 1.078 577 I CA 1.806 63.221 61.300 0.191 0.000 1.343 577 I CB -0.288 37.707 38.000 -0.008 0.000 1.046 577 I HN 0.302 nan 8.210 nan 0.000 0.405 578 R N 1.351 121.949 120.500 0.164 0.000 2.083 578 R HA -0.219 4.121 4.340 -0.000 0.000 0.237 578 R C 2.082 178.479 176.300 0.162 0.000 1.137 578 R CA 1.721 57.920 56.100 0.166 0.000 0.951 578 R CB -0.511 29.904 30.300 0.191 0.000 0.851 578 R HN 0.161 nan 8.270 nan 0.000 0.434 579 E N -0.458 119.847 120.200 0.175 0.000 2.085 579 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 579 E C 1.658 178.371 176.600 0.189 0.000 0.994 579 E CA 1.471 57.965 56.400 0.158 0.000 0.801 579 E CB -0.502 29.274 29.700 0.127 0.000 0.743 579 E HN 0.409 nan 8.360 nan 0.000 0.453 580 F N 1.154 121.142 119.950 0.063 0.000 2.293 580 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 580 F C 1.853 177.682 175.800 0.050 0.000 1.086 580 F CA 1.295 59.317 58.000 0.036 0.000 1.375 580 F CB 0.128 39.085 39.000 -0.071 0.000 1.045 580 F HN 0.039 nan 8.300 nan 0.000 0.516 581 E N -0.665 119.615 120.200 0.133 0.000 2.072 581 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 581 E C 2.195 178.779 176.600 -0.027 0.000 0.982 581 E CA 1.837 58.268 56.400 0.052 0.000 0.803 581 E CB -0.232 29.547 29.700 0.132 0.000 0.755 581 E HN 0.514 nan 8.360 nan 0.000 0.453 582 T N -1.176 113.392 114.554 0.024 0.000 3.009 582 T HA -0.038 4.312 4.350 -0.000 0.000 0.258 582 T C 0.628 175.336 174.700 0.014 0.000 1.063 582 T CA -0.258 61.851 62.100 0.016 0.000 1.139 582 T CB -0.288 68.611 68.868 0.052 0.000 0.890 582 T HN -0.010 nan 8.240 nan 0.000 0.471 583 F N 4.512 124.402 119.950 -0.099 0.000 2.538 583 F HA 0.439 4.966 4.527 -0.000 0.000 0.371 583 F C -0.162 175.551 175.800 -0.145 0.000 1.087 583 F CA -1.339 56.601 58.000 -0.100 0.000 1.250 583 F CB 0.761 39.716 39.000 -0.075 0.000 1.110 583 F HN 0.146 nan 8.300 nan 0.000 0.570 584 V N 4.212 123.523 119.914 -1.005 0.000 2.407 584 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 584 V C -0.559 174.875 176.094 -1.100 0.000 1.018 584 V CA -1.246 60.580 62.300 -0.790 0.000 0.842 584 V CB 1.310 32.882 31.823 -0.419 0.000 0.996 584 V HN 0.656 nan 8.190 nan 0.000 0.426 585 K N 5.454 125.406 120.400 -0.746 0.000 2.245 585 K HA 0.224 4.544 4.320 -0.000 0.000 0.281 585 K C 0.127 176.584 176.600 -0.239 0.000 1.079 585 K CA 0.011 56.060 56.287 -0.396 0.000 1.000 585 K CB 0.285 32.746 32.500 -0.065 0.000 1.038 585 K HN 0.925 nan 8.250 nan 0.000 0.430 586 K N 0.000 120.271 120.400 -0.216 0.000 2.780 586 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 586 K CA 0.000 56.214 56.287 -0.122 0.000 0.838 586 K CB 0.000 32.420 32.500 -0.134 0.000 1.064 586 K HN 0.000 nan 8.250 nan 0.000 0.543