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 2bvg_1_C DATA FIRST_RESID 5 DATA SEQUENCE KLATPLSIQG EVIYPDDSGF DAIANIWDGR HLQRPSLIAR CLSAGDVAKS DATA SEQUENCE VRYACDNGLE ISVRSGGHNP NGYATNDGGI VLDLRLMNSI HIDTAGSRAR DATA SEQUENCE IGGGVISGDL VKEAAKFGLA AVTGMHPKVG FCGLALNGGV GFLTPKYGLA DATA SEQUENCE SDNILGATLV TATGDVIYCS DDERPELFWA VRGAGPNFGV VTEVEVQLYE DATA SEQUENCE LPRKMLAGFI TWAPSVSELA GLLTSLLDAL NEMADHIYPS VFVGVDENRA DATA SEQUENCE PSVTVCVGHL GGLDIAERDI ARLRGLGRTV SDSIAVRSYD EVVALNAEVG DATA SEQUENCE SFEDGMSNLW IDREIAMPNA RFAEAIAGNL DKFVSEPASG GSVKLEIEGM DATA SEQUENCE PFGNPKRTPA RHRDAMGVLA LAEWSGAAPG SEKYPELARE LDAALLRAGV DATA SEQUENCE TTSGFGLLNN NSEVTAEMVA EVYKPEVYSR LAAVKREYDP ENRFRHNYNI DATA SEQUENCE DPE 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.477 176.600 -0.204 0.000 0.988 5 K CA 0.000 55.928 56.287 -0.598 0.000 0.838 5 K CB 0.000 32.037 32.500 -0.772 0.000 1.064 6 L N 2.400 123.597 121.223 -0.042 0.000 2.483 6 L HA 0.477 4.817 4.340 -0.000 0.000 0.276 6 L C 1.720 178.611 176.870 0.035 0.000 1.213 6 L CA 1.093 55.956 54.840 0.038 0.000 0.843 6 L CB 0.733 42.869 42.059 0.127 0.000 1.107 6 L HN 0.464 nan 8.230 nan 0.000 0.487 7 A N 2.891 125.716 122.820 0.008 0.000 2.077 7 A HA -0.276 4.044 4.320 -0.000 0.000 0.227 7 A C 1.002 178.602 177.584 0.028 0.000 1.316 7 A CA 2.588 54.629 52.037 0.007 0.000 0.701 7 A CB -1.293 17.706 19.000 -0.003 0.000 0.829 7 A HN 0.825 nan 8.150 nan 0.000 0.512 8 T N -0.212 114.382 114.554 0.066 0.000 3.298 8 T HA 0.418 4.768 4.350 -0.000 0.000 0.318 8 T C -2.682 172.136 174.700 0.196 0.000 1.165 8 T CA -0.753 61.405 62.100 0.096 0.000 1.557 8 T CB 1.423 70.340 68.868 0.082 0.000 0.898 8 T HN 0.350 nan 8.240 nan 0.000 0.585 9 P HA -0.044 nan 4.420 nan 0.000 0.272 9 P C -0.091 177.317 177.300 0.181 0.000 1.210 9 P CA -0.651 62.583 63.100 0.224 0.000 0.789 9 P CB 0.805 32.580 31.700 0.125 0.000 0.849 10 L N 1.032 122.229 121.223 -0.044 0.000 2.361 10 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 10 L C 0.215 177.031 176.870 -0.089 0.000 1.113 10 L CA 0.351 55.006 54.840 -0.309 0.000 0.849 10 L CB 0.085 41.687 42.059 -0.762 0.000 1.155 10 L HN 0.343 nan 8.230 nan 0.000 0.452 11 S N 6.817 122.497 115.700 -0.034 0.000 2.566 11 S HA 0.704 5.174 4.470 -0.000 0.000 0.324 11 S C -0.502 174.090 174.600 -0.013 0.000 1.081 11 S CA -0.761 57.436 58.200 -0.006 0.000 1.105 11 S CB -0.067 63.147 63.200 0.023 0.000 0.981 11 S HN 0.589 nan 8.310 nan 0.000 0.464 12 I N 1.829 122.386 120.570 -0.022 0.000 2.934 12 I HA 0.482 4.652 4.170 -0.000 0.000 0.306 12 I C 1.031 177.143 176.117 -0.009 0.000 1.110 12 I CA -0.970 60.320 61.300 -0.017 0.000 1.019 12 I CB 1.688 39.669 38.000 -0.033 0.000 1.227 12 I HN 0.480 nan 8.210 nan 0.000 0.434 13 Q N 1.880 121.678 119.800 -0.004 0.000 2.308 13 Q HA -0.042 4.298 4.340 -0.000 0.000 0.209 13 Q C 0.894 176.891 176.000 -0.004 0.000 0.985 13 Q CA 1.806 57.608 55.803 -0.001 0.000 0.881 13 Q CB 0.084 28.823 28.738 0.001 0.000 0.917 13 Q HN 0.968 nan 8.270 nan 0.000 0.443 14 G N -0.262 108.531 108.800 -0.010 0.000 2.641 14 G HA2 0.279 4.239 3.960 -0.000 0.000 0.239 14 G HA3 0.279 4.239 3.960 -0.000 0.000 0.239 14 G C -0.798 174.091 174.900 -0.017 0.000 1.402 14 G CA -0.525 44.567 45.100 -0.013 0.000 1.046 14 G HN 0.162 nan 8.290 nan 0.000 0.565 15 E N -1.024 119.162 120.200 -0.023 0.000 2.227 15 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 15 E C -0.990 175.577 176.600 -0.056 0.000 0.907 15 E CA -0.636 55.750 56.400 -0.024 0.000 0.786 15 E CB 2.661 32.355 29.700 -0.010 0.000 1.191 15 E HN 0.121 nan 8.360 nan 0.000 0.411 16 V N 2.309 122.177 119.914 -0.076 0.000 3.093 16 V HA 0.527 4.647 4.120 -0.000 0.000 0.320 16 V C -0.060 175.921 176.094 -0.188 0.000 1.093 16 V CA -0.673 61.519 62.300 -0.181 0.000 1.016 16 V CB 1.497 33.161 31.823 -0.265 0.000 1.096 16 V HN 0.556 nan 8.190 nan 0.000 0.452 17 I N 1.650 122.042 120.570 -0.296 0.000 2.563 17 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 17 I C -1.407 174.645 176.117 -0.109 0.000 1.123 17 I CA -0.364 60.868 61.300 -0.112 0.000 1.059 17 I CB 1.567 39.602 38.000 0.059 0.000 1.229 17 I HN 0.481 nan 8.210 nan 0.000 0.442 18 Y N 6.487 126.853 120.300 0.110 0.000 2.300 18 Y HA 0.256 4.805 4.550 -0.000 0.000 0.328 18 Y C -1.434 174.214 175.900 -0.421 0.000 1.270 18 Y CA -1.637 56.441 58.100 -0.037 0.000 1.352 18 Y CB 0.090 38.516 38.460 -0.056 0.000 1.286 18 Y HN 0.385 nan 8.280 nan 0.000 0.536 19 P HA -0.237 nan 4.420 nan 0.000 0.217 19 P C 0.753 177.611 177.300 -0.737 0.000 1.158 19 P CA 2.122 64.319 63.100 -1.506 0.000 0.887 19 P CB 0.317 31.595 31.700 -0.704 0.000 0.792 20 D N -1.083 119.130 120.400 -0.311 0.000 2.149 20 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 20 D C 0.346 176.608 176.300 -0.064 0.000 0.972 20 D CA 0.831 54.746 54.000 -0.142 0.000 0.835 20 D CB -0.978 39.772 40.800 -0.083 0.000 0.966 20 D HN 0.191 nan 8.370 nan 0.000 0.476 21 D N 0.264 120.654 120.400 -0.017 0.000 2.560 21 D HA -0.114 4.526 4.640 -0.000 0.000 0.226 21 D C 1.258 177.604 176.300 0.077 0.000 1.222 21 D CA 0.302 54.339 54.000 0.061 0.000 0.880 21 D CB 0.592 41.469 40.800 0.129 0.000 1.234 21 D HN -0.195 nan 8.370 nan 0.000 0.515 22 S N 0.890 116.634 115.700 0.074 0.000 2.521 22 S HA -0.213 4.257 4.470 -0.000 0.000 0.246 22 S C 1.952 176.608 174.600 0.094 0.000 1.059 22 S CA 1.954 60.195 58.200 0.069 0.000 1.302 22 S CB -0.708 62.524 63.200 0.053 0.000 1.216 22 S HN 0.644 nan 8.310 nan 0.000 0.421 23 G N -0.441 108.415 108.800 0.094 0.000 2.848 23 G HA2 0.067 4.027 3.960 -0.000 0.000 0.208 23 G HA3 0.067 4.027 3.960 -0.000 0.000 0.208 23 G C 0.879 175.855 174.900 0.126 0.000 1.152 23 G CA 0.388 45.541 45.100 0.088 0.000 0.789 23 G HN 0.504 nan 8.290 nan 0.000 0.531 24 F N 2.300 122.249 119.950 -0.001 0.000 2.184 24 F HA -0.384 4.143 4.527 -0.000 0.000 0.292 24 F C 2.300 178.095 175.800 -0.008 0.000 1.154 24 F CA 2.537 60.533 58.000 -0.007 0.000 1.288 24 F CB -0.333 38.670 39.000 0.005 0.000 0.915 24 F HN 0.203 nan 8.300 nan 0.000 0.540 25 D N 0.275 120.813 120.400 0.231 0.000 2.303 25 D HA -0.360 4.280 4.640 -0.000 0.000 0.190 25 D C 2.246 178.513 176.300 -0.054 0.000 1.011 25 D CA 2.227 56.266 54.000 0.065 0.000 0.860 25 D CB -1.097 39.770 40.800 0.111 0.000 0.961 25 D HN 0.478 nan 8.370 nan 0.000 0.453 26 A N 1.081 123.893 122.820 -0.015 0.000 1.940 26 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 26 A C 2.341 179.880 177.584 -0.074 0.000 1.190 26 A CA 1.642 53.660 52.037 -0.032 0.000 0.647 26 A CB -0.604 18.392 19.000 -0.008 0.000 0.821 26 A HN 0.242 nan 8.150 nan 0.000 0.457 27 I N -0.712 119.789 120.570 -0.116 0.000 2.193 27 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 27 I C 3.004 178.974 176.117 -0.245 0.000 1.084 27 I CA 1.379 62.582 61.300 -0.163 0.000 1.365 27 I CB -1.638 36.252 38.000 -0.184 0.000 1.064 27 I HN 0.367 nan 8.210 nan 0.000 0.410 28 A N 0.709 123.270 122.820 -0.432 0.000 2.032 28 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 28 A C 1.335 178.778 177.584 -0.236 0.000 1.165 28 A CA 0.970 52.722 52.037 -0.475 0.000 0.645 28 A CB -0.901 17.623 19.000 -0.792 0.000 0.807 28 A HN 0.451 nan 8.150 nan 0.000 0.453 29 N N 0.591 119.193 118.700 -0.163 0.000 2.454 29 N HA 0.229 4.969 4.740 -0.000 0.000 0.260 29 N C 0.317 175.782 175.510 -0.075 0.000 1.218 29 N CA 0.613 53.604 53.050 -0.097 0.000 0.904 29 N CB 0.398 38.842 38.487 -0.072 0.000 1.065 29 N HN 0.602 nan 8.380 nan 0.000 0.462 30 I N -0.759 119.775 120.570 -0.060 0.000 3.944 30 I HA 0.429 4.599 4.170 -0.000 0.000 0.259 30 I C 1.023 177.134 176.117 -0.010 0.000 1.337 30 I CA -0.933 60.348 61.300 -0.031 0.000 1.104 30 I CB 0.557 38.540 38.000 -0.028 0.000 1.465 30 I HN 0.467 nan 8.210 nan 0.000 0.564 31 W N 0.966 122.131 121.300 -0.225 0.000 2.560 31 W HA 0.146 4.806 4.660 -0.000 0.000 0.303 31 W C 1.108 177.485 176.519 -0.235 0.000 1.151 31 W CA 1.195 58.364 57.345 -0.295 0.000 1.426 31 W CB -0.040 29.095 29.460 -0.542 0.000 1.135 31 W HN 0.595 nan 8.180 nan 0.000 0.522 32 D N -1.262 119.076 120.400 -0.102 0.000 2.369 32 D HA 0.250 4.890 4.640 -0.000 0.000 0.241 32 D C 1.398 177.520 176.300 -0.296 0.000 1.271 32 D CA 1.329 55.130 54.000 -0.331 0.000 0.942 32 D CB 1.292 42.007 40.800 -0.142 0.000 1.129 32 D HN 0.094 nan 8.370 nan 0.000 0.476 33 G N -0.017 108.573 108.800 -0.350 0.000 2.692 33 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.209 33 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.209 33 G C 1.131 175.908 174.900 -0.205 0.000 1.166 33 G CA -0.091 44.855 45.100 -0.258 0.000 0.844 33 G HN 0.493 nan 8.290 nan 0.000 0.596 34 R N 0.274 120.617 120.500 -0.262 0.000 2.228 34 R HA -0.155 4.185 4.340 -0.000 0.000 0.264 34 R C 0.128 176.192 176.300 -0.394 0.000 1.179 34 R CA 1.129 57.050 56.100 -0.298 0.000 0.998 34 R CB -0.745 29.315 30.300 -0.400 0.000 0.885 34 R HN 0.354 nan 8.270 nan 0.000 0.466 35 H N 0.850 119.876 119.070 -0.074 0.000 2.969 35 H HA 0.100 4.656 4.556 -0.000 0.000 0.269 35 H C 1.252 176.551 175.328 -0.049 0.000 1.223 35 H CA -0.002 56.011 56.048 -0.059 0.000 1.400 35 H CB 0.622 30.335 29.762 -0.081 0.000 1.500 35 H HN 0.101 nan 8.280 nan 0.000 0.486 36 L N 1.742 122.990 121.223 0.041 0.000 2.145 36 L HA -0.061 4.279 4.340 -0.000 0.000 0.201 36 L C 1.431 178.328 176.870 0.046 0.000 1.075 36 L CA 0.181 55.038 54.840 0.028 0.000 0.773 36 L CB -0.312 41.757 42.059 0.016 0.000 0.936 36 L HN 0.489 nan 8.230 nan 0.000 0.451 37 Q N 2.450 122.286 119.800 0.059 0.000 2.375 37 Q HA -0.070 4.270 4.340 -0.000 0.000 0.344 37 Q C -0.598 175.429 176.000 0.045 0.000 1.169 37 Q CA 0.924 56.758 55.803 0.053 0.000 1.035 37 Q CB 0.430 29.199 28.738 0.052 0.000 1.222 37 Q HN 0.247 nan 8.270 nan 0.000 0.412 38 R N 1.834 122.371 120.500 0.062 0.000 2.771 38 R HA 0.568 4.908 4.340 -0.000 0.000 0.274 38 R C -2.248 174.114 176.300 0.103 0.000 0.987 38 R CA -1.969 54.181 56.100 0.084 0.000 0.908 38 R CB 1.776 32.175 30.300 0.165 0.000 1.213 38 R HN 0.561 nan 8.270 nan 0.000 0.468 39 P HA 0.054 nan 4.420 nan 0.000 0.296 39 P C 0.092 177.513 177.300 0.203 0.000 1.295 39 P CA -0.003 63.168 63.100 0.118 0.000 0.754 39 P CB 0.517 32.265 31.700 0.080 0.000 1.311 40 S N -1.858 113.950 115.700 0.181 0.000 2.952 40 S HA 0.503 4.973 4.470 -0.000 0.000 0.251 40 S C 0.118 174.840 174.600 0.204 0.000 1.021 40 S CA -0.445 57.860 58.200 0.175 0.000 1.067 40 S CB -1.096 62.182 63.200 0.131 0.000 1.002 40 S HN 0.599 nan 8.310 nan 0.000 0.574 41 L N -2.221 119.125 121.223 0.204 0.000 3.870 41 L HA 0.518 4.858 4.340 -0.000 0.000 0.232 41 L C -2.572 174.304 176.870 0.010 0.000 1.017 41 L CA -1.023 53.845 54.840 0.047 0.000 1.032 41 L CB 0.190 42.199 42.059 -0.083 0.000 1.585 41 L HN 0.093 nan 8.230 nan 0.000 0.417 42 I N 2.776 123.302 120.570 -0.074 0.000 2.478 42 I HA 0.633 4.803 4.170 -0.000 0.000 0.287 42 I C 0.332 176.365 176.117 -0.140 0.000 1.042 42 I CA -0.569 60.672 61.300 -0.099 0.000 1.067 42 I CB 2.139 40.056 38.000 -0.138 0.000 1.233 42 I HN 0.822 nan 8.210 nan 0.000 0.431 43 A N 6.631 129.382 122.820 -0.115 0.000 3.016 43 A HA 0.378 4.698 4.320 -0.000 0.000 0.303 43 A C 0.365 177.905 177.584 -0.072 0.000 1.507 43 A CA -0.537 51.432 52.037 -0.113 0.000 1.196 43 A CB -0.451 18.484 19.000 -0.108 0.000 1.169 43 A HN 0.718 nan 8.150 nan 0.000 0.544 44 R N 1.165 121.623 120.500 -0.070 0.000 2.842 44 R HA 0.036 4.376 4.340 -0.000 0.000 0.260 44 R C -0.188 176.092 176.300 -0.033 0.000 1.495 44 R CA -0.166 55.906 56.100 -0.047 0.000 1.024 44 R CB -0.824 29.450 30.300 -0.044 0.000 1.147 44 R HN 0.685 nan 8.270 nan 0.000 0.553 45 C N 1.832 121.117 119.300 -0.025 0.000 2.727 45 C HA 0.002 4.462 4.460 -0.000 0.000 0.401 45 C C 1.917 176.903 174.990 -0.007 0.000 1.294 45 C CA -0.076 58.934 59.018 -0.013 0.000 2.134 45 C CB 0.100 27.840 27.740 -0.001 0.000 2.724 45 C HN 0.817 nan 8.230 nan 0.000 0.677 46 L N 1.577 122.798 121.223 -0.003 0.000 3.086 46 L HA 0.219 4.559 4.340 -0.000 0.000 0.274 46 L C 0.558 177.431 176.870 0.005 0.000 1.184 46 L CA 0.424 55.264 54.840 0.000 0.000 1.002 46 L CB 0.072 42.130 42.059 -0.002 0.000 1.383 46 L HN 0.919 nan 8.230 nan 0.000 0.582 47 S N -3.043 112.662 115.700 0.008 0.000 2.686 47 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 47 S C 0.607 175.218 174.600 0.019 0.000 1.060 47 S CA -0.211 57.996 58.200 0.012 0.000 0.845 47 S CB 0.712 63.917 63.200 0.009 0.000 1.086 47 S HN -0.008 nan 8.310 nan 0.000 0.461 48 A N 1.824 124.659 122.820 0.024 0.000 1.929 48 A HA -0.047 4.273 4.320 -0.000 0.000 0.221 48 A C 2.217 179.823 177.584 0.036 0.000 1.211 48 A CA 3.220 55.277 52.037 0.034 0.000 0.657 48 A CB -2.025 16.996 19.000 0.035 0.000 0.827 48 A HN 1.950 nan 8.150 nan 0.000 0.462 49 G N -0.230 108.587 108.800 0.028 0.000 2.514 49 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 49 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 49 G C 1.108 176.024 174.900 0.028 0.000 1.198 49 G CA 1.277 46.394 45.100 0.028 0.000 0.780 49 G HN 0.546 nan 8.290 nan 0.000 0.565 50 D N 0.239 120.650 120.400 0.019 0.000 2.182 50 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 50 D C 2.666 178.978 176.300 0.020 0.000 0.986 50 D CA 0.750 54.756 54.000 0.011 0.000 0.847 50 D CB -0.491 40.309 40.800 -0.001 0.000 0.942 50 D HN 0.242 nan 8.370 nan 0.000 0.467 51 V N 1.583 121.517 119.914 0.034 0.000 2.261 51 V HA -0.249 3.870 4.120 -0.000 0.000 0.246 51 V C 2.616 178.755 176.094 0.075 0.000 1.047 51 V CA 1.869 64.202 62.300 0.054 0.000 1.015 51 V CB -0.853 31.007 31.823 0.061 0.000 0.642 51 V HN 0.212 nan 8.190 nan 0.000 0.446 52 A N -0.210 122.654 122.820 0.073 0.000 1.859 52 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 52 A C 2.250 179.882 177.584 0.080 0.000 1.198 52 A CA 2.379 54.466 52.037 0.083 0.000 0.629 52 A CB -0.617 18.426 19.000 0.072 0.000 0.830 52 A HN 0.543 nan 8.150 nan 0.000 0.446 53 K N -0.067 120.371 120.400 0.064 0.000 2.113 53 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 53 K C 2.344 178.994 176.600 0.082 0.000 1.047 53 K CA 1.646 57.974 56.287 0.067 0.000 0.928 53 K CB -0.193 32.332 32.500 0.041 0.000 0.716 53 K HN 0.498 nan 8.250 nan 0.000 0.446 54 S N 0.390 116.124 115.700 0.058 0.000 2.357 54 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 54 S C 2.118 176.792 174.600 0.123 0.000 1.031 54 S CA 1.117 59.350 58.200 0.057 0.000 0.982 54 S CB -0.156 63.057 63.200 0.023 0.000 0.853 54 S HN 0.039 nan 8.310 nan 0.000 0.458 55 V N 2.124 122.102 119.914 0.108 0.000 2.332 55 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 55 V C 2.487 178.630 176.094 0.082 0.000 1.055 55 V CA 1.927 64.283 62.300 0.092 0.000 1.038 55 V CB -0.703 31.188 31.823 0.113 0.000 0.651 55 V HN 0.255 nan 8.190 nan 0.000 0.450 56 R N -0.487 120.072 120.500 0.099 0.000 2.070 56 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 56 R C 2.301 178.667 176.300 0.110 0.000 1.138 56 R CA 1.981 58.131 56.100 0.085 0.000 0.936 56 R CB -0.969 29.383 30.300 0.087 0.000 0.839 56 R HN 0.563 nan 8.270 nan 0.000 0.429 57 Y N 0.464 120.776 120.300 0.020 0.000 2.102 57 Y HA -0.342 4.208 4.550 -0.000 0.000 0.280 57 Y C 2.036 177.946 175.900 0.017 0.000 1.178 57 Y CA 2.230 60.345 58.100 0.025 0.000 1.146 57 Y CB -0.656 37.825 38.460 0.036 0.000 0.968 57 Y HN 0.235 nan 8.280 nan 0.000 0.504 58 A N -0.694 122.267 122.820 0.234 0.000 1.892 58 A HA -0.323 3.997 4.320 -0.000 0.000 0.218 58 A C 2.517 180.101 177.584 -0.000 0.000 1.188 58 A CA 1.923 54.029 52.037 0.115 0.000 0.631 58 A CB -1.869 17.179 19.000 0.079 0.000 0.822 58 A HN 0.764 nan 8.150 nan 0.000 0.447 59 C N -0.330 118.963 119.300 -0.011 0.000 2.436 59 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 59 C C 2.343 177.298 174.990 -0.057 0.000 1.241 59 C CA 1.518 60.513 59.018 -0.039 0.000 1.721 59 C CB -1.402 26.320 27.740 -0.030 0.000 2.043 59 C HN 0.661 nan 8.230 nan 0.000 0.472 60 D N 0.735 121.094 120.400 -0.069 0.000 2.133 60 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 60 D C 1.152 177.362 176.300 -0.151 0.000 0.997 60 D CA 1.370 55.309 54.000 -0.102 0.000 0.840 60 D CB -0.612 40.123 40.800 -0.109 0.000 0.947 60 D HN 0.628 nan 8.370 nan 0.000 0.452 61 N N 0.101 118.666 118.700 -0.226 0.000 2.276 61 N HA 0.134 4.874 4.740 -0.000 0.000 0.212 61 N C 0.565 176.011 175.510 -0.107 0.000 1.127 61 N CA 0.301 53.224 53.050 -0.212 0.000 0.834 61 N CB 0.861 39.134 38.487 -0.356 0.000 1.014 61 N HN 0.092 nan 8.380 nan 0.000 0.491 62 G N 1.426 110.180 108.800 -0.077 0.000 2.352 62 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.283 62 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.283 62 G C -0.438 174.449 174.900 -0.022 0.000 0.946 62 G CA 0.118 45.192 45.100 -0.042 0.000 1.317 62 G HN 0.310 nan 8.290 nan 0.000 0.478 63 L N 0.251 121.466 121.223 -0.012 0.000 2.362 63 L HA 0.413 4.753 4.340 -0.000 0.000 0.275 63 L C 0.691 177.573 176.870 0.020 0.000 0.998 63 L CA -0.933 53.919 54.840 0.020 0.000 0.820 63 L CB 1.863 43.955 42.059 0.055 0.000 1.270 63 L HN 0.322 nan 8.230 nan 0.000 0.415 64 E N 3.164 123.387 120.200 0.039 0.000 2.415 64 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 64 E C -0.680 175.952 176.600 0.053 0.000 0.995 64 E CA 0.171 56.609 56.400 0.064 0.000 0.915 64 E CB 0.870 30.641 29.700 0.119 0.000 0.951 64 E HN 0.337 nan 8.360 nan 0.000 0.449 65 I N 2.273 122.871 120.570 0.046 0.000 2.385 65 I HA 0.186 4.356 4.170 -0.000 0.000 0.294 65 I C 0.030 176.227 176.117 0.133 0.000 0.988 65 I CA -0.232 61.097 61.300 0.048 0.000 1.265 65 I CB 1.558 39.522 38.000 -0.060 0.000 1.388 65 I HN 0.310 nan 8.210 nan 0.000 0.480 66 S N 4.276 120.032 115.700 0.093 0.000 2.619 66 S HA 0.454 4.924 4.470 -0.000 0.000 0.280 66 S C -0.563 174.081 174.600 0.073 0.000 1.150 66 S CA -0.554 57.694 58.200 0.079 0.000 0.978 66 S CB 2.166 65.333 63.200 -0.054 0.000 1.041 66 S HN 0.256 nan 8.310 nan 0.000 0.485 67 V N 4.040 124.004 119.914 0.083 0.000 2.539 67 V HA 0.676 4.796 4.120 -0.000 0.000 0.292 67 V C 0.189 176.292 176.094 0.014 0.000 1.045 67 V CA -0.601 61.727 62.300 0.047 0.000 0.945 67 V CB 1.537 33.375 31.823 0.025 0.000 0.993 67 V HN 0.726 nan 8.190 nan 0.000 0.464 68 R N 2.525 123.025 120.500 0.001 0.000 2.621 68 R HA 0.641 4.981 4.340 -0.000 0.000 0.284 68 R C -0.612 175.686 176.300 -0.004 0.000 0.998 68 R CA -0.135 55.960 56.100 -0.008 0.000 0.895 68 R CB 2.404 32.688 30.300 -0.026 0.000 1.195 68 R HN 0.782 nan 8.270 nan 0.000 0.450 69 S N 1.416 117.118 115.700 0.004 0.000 3.799 69 S HA 0.233 4.703 4.470 -0.000 0.000 0.170 69 S C 1.178 175.797 174.600 0.031 0.000 0.840 69 S CA 0.465 58.676 58.200 0.018 0.000 1.025 69 S CB -0.118 63.097 63.200 0.025 0.000 1.455 69 S HN 0.718 nan 8.310 nan 0.000 0.804 70 G N 0.204 109.031 108.800 0.045 0.000 2.396 70 G HA2 0.339 4.299 3.960 -0.000 0.000 0.214 70 G HA3 0.339 4.299 3.960 -0.000 0.000 0.214 70 G C 1.071 176.008 174.900 0.061 0.000 1.166 70 G CA 0.893 46.041 45.100 0.081 0.000 0.793 70 G HN 1.325 nan 8.290 nan 0.000 0.533 71 G N -0.847 107.971 108.800 0.030 0.000 2.143 71 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.249 71 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.249 71 G C 0.932 175.813 174.900 -0.030 0.000 0.981 71 G CA 0.683 45.782 45.100 -0.001 0.000 0.665 71 G HN 0.561 nan 8.290 nan 0.000 0.528 72 H N 0.056 119.081 119.070 -0.075 0.000 2.547 72 H HA 0.063 4.619 4.556 -0.000 0.000 0.272 72 H C 1.410 176.664 175.328 -0.123 0.000 0.989 72 H CA 0.768 56.688 56.048 -0.215 0.000 1.214 72 H CB 0.249 29.762 29.762 -0.415 0.000 1.389 72 H HN 0.394 nan 8.280 nan 0.000 0.577 73 N N 2.357 121.072 118.700 0.026 0.000 2.468 73 N HA -0.026 4.714 4.740 -0.000 0.000 0.265 73 N C -2.025 173.436 175.510 -0.081 0.000 1.199 73 N CA -1.001 52.047 53.050 -0.004 0.000 0.928 73 N CB 1.296 39.789 38.487 0.011 0.000 1.059 73 N HN 0.147 nan 8.380 nan 0.000 0.467 74 P HA 0.133 nan 4.420 nan 0.000 0.253 74 P C -0.305 176.903 177.300 -0.155 0.000 1.508 74 P CA 0.184 63.183 63.100 -0.167 0.000 0.883 74 P CB 0.159 31.594 31.700 -0.442 0.000 1.519 75 N N -0.113 118.355 118.700 -0.387 0.000 2.184 75 N HA 0.061 4.801 4.740 -0.000 0.000 0.206 75 N C 1.276 176.168 175.510 -1.030 0.000 1.151 75 N CA 0.492 53.124 53.050 -0.696 0.000 0.878 75 N CB 0.391 38.055 38.487 -1.373 0.000 1.014 75 N HN 0.157 nan 8.380 nan 0.000 0.512 76 G N 1.435 109.787 108.800 -0.747 0.000 2.233 76 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.270 76 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.270 76 G C 0.481 175.165 174.900 -0.360 0.000 1.011 76 G CA 0.478 45.205 45.100 -0.622 0.000 0.762 76 G HN 0.365 nan 8.290 nan 0.000 0.511 77 Y N -0.585 119.618 120.300 -0.162 0.000 2.556 77 Y HA 0.103 4.653 4.550 -0.000 0.000 0.290 77 Y C 2.744 178.589 175.900 -0.092 0.000 1.149 77 Y CA 0.793 58.857 58.100 -0.060 0.000 1.329 77 Y CB -0.514 37.923 38.460 -0.038 0.000 0.975 77 Y HN 0.508 nan 8.280 nan 0.000 0.561 78 A N -1.430 121.386 122.820 -0.007 0.000 2.278 78 A HA 0.234 4.554 4.320 -0.000 0.000 0.212 78 A C 0.988 178.526 177.584 -0.077 0.000 1.213 78 A CA 0.908 52.926 52.037 -0.030 0.000 0.840 78 A CB -0.142 18.838 19.000 -0.032 0.000 0.866 78 A HN 0.230 nan 8.150 nan 0.000 0.489 79 T N -0.803 113.677 114.554 -0.124 0.000 2.821 79 T HA 0.517 4.867 4.350 -0.000 0.000 0.306 79 T C -1.583 172.987 174.700 -0.217 0.000 1.313 79 T CA -0.376 61.644 62.100 -0.134 0.000 1.012 79 T CB 1.115 69.927 68.868 -0.095 0.000 1.298 79 T HN 0.591 nan 8.240 nan 0.000 0.502 80 N N 0.445 119.038 118.700 -0.178 0.000 2.774 80 N HA 0.493 5.233 4.740 -0.000 0.000 0.264 80 N C -1.922 173.548 175.510 -0.066 0.000 1.415 80 N CA -0.819 52.098 53.050 -0.221 0.000 0.815 80 N CB 1.049 39.354 38.487 -0.302 0.000 1.514 80 N HN 0.371 nan 8.380 nan 0.000 0.523 81 D N -1.266 119.122 120.400 -0.021 0.000 2.500 81 D HA 0.479 5.119 4.640 -0.000 0.000 0.219 81 D C 0.941 177.264 176.300 0.037 0.000 1.137 81 D CA 0.886 54.902 54.000 0.026 0.000 0.946 81 D CB -0.489 40.337 40.800 0.044 0.000 1.022 81 D HN 0.873 nan 8.370 nan 0.000 0.518 82 G N 2.533 111.361 108.800 0.047 0.000 3.211 82 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 82 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 82 G C 0.978 175.917 174.900 0.064 0.000 1.418 82 G CA 0.121 45.255 45.100 0.058 0.000 0.958 82 G HN 0.838 nan 8.290 nan 0.000 0.567 83 G N 0.477 109.306 108.800 0.049 0.000 2.378 83 G HA2 0.324 4.284 3.960 -0.000 0.000 0.334 83 G HA3 0.324 4.284 3.960 -0.000 0.000 0.334 83 G C 0.506 175.445 174.900 0.065 0.000 1.339 83 G CA 0.566 45.698 45.100 0.054 0.000 1.158 83 G HN 1.295 nan 8.290 nan 0.000 0.636 84 I N -1.929 118.680 120.570 0.064 0.000 2.793 84 I HA 0.591 4.761 4.170 -0.000 0.000 0.313 84 I C -0.734 175.399 176.117 0.026 0.000 0.998 84 I CA -0.820 60.519 61.300 0.065 0.000 1.140 84 I CB 2.025 40.084 38.000 0.097 0.000 1.327 84 I HN 0.201 nan 8.210 nan 0.000 0.491 85 V N 6.306 126.224 119.914 0.008 0.000 2.623 85 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 85 V C -0.830 175.255 176.094 -0.014 0.000 1.054 85 V CA -0.561 61.731 62.300 -0.014 0.000 0.882 85 V CB 1.707 33.499 31.823 -0.052 0.000 1.002 85 V HN 0.393 nan 8.190 nan 0.000 0.424 86 L N 4.500 125.728 121.223 0.009 0.000 2.352 86 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 86 L C 0.361 177.228 176.870 -0.005 0.000 1.109 86 L CA 0.095 54.941 54.840 0.010 0.000 0.952 86 L CB 0.372 42.461 42.059 0.050 0.000 1.314 86 L HN 0.559 nan 8.230 nan 0.000 0.427 87 D N 2.850 123.233 120.400 -0.029 0.000 2.342 87 D HA 0.020 4.660 4.640 -0.000 0.000 0.260 87 D C 0.783 177.073 176.300 -0.016 0.000 1.278 87 D CA 0.153 54.134 54.000 -0.032 0.000 0.910 87 D CB 0.871 41.639 40.800 -0.054 0.000 1.079 87 D HN 0.412 nan 8.370 nan 0.000 0.496 88 L N 3.923 125.144 121.223 -0.004 0.000 2.611 88 L HA 0.169 4.509 4.340 -0.000 0.000 0.229 88 L C 2.333 179.208 176.870 0.008 0.000 1.137 88 L CA -0.272 54.570 54.840 0.005 0.000 0.901 88 L CB -0.030 42.036 42.059 0.012 0.000 1.098 88 L HN 0.234 nan 8.230 nan 0.000 0.456 89 R N 0.578 121.081 120.500 0.004 0.000 2.133 89 R HA -0.165 4.175 4.340 -0.000 0.000 0.247 89 R C 1.940 178.246 176.300 0.011 0.000 1.151 89 R CA 1.390 57.496 56.100 0.010 0.000 0.971 89 R CB -0.296 30.006 30.300 0.004 0.000 0.866 89 R HN 0.386 nan 8.270 nan 0.000 0.447 90 L N 0.127 121.352 121.223 0.004 0.000 2.478 90 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 90 L C 0.969 177.844 176.870 0.008 0.000 1.140 90 L CA 0.307 55.150 54.840 0.005 0.000 0.842 90 L CB -0.004 42.055 42.059 -0.000 0.000 0.953 90 L HN 0.184 nan 8.230 nan 0.000 0.452 91 M N 1.485 121.091 119.600 0.011 0.000 3.586 91 M HA 0.061 4.541 4.480 -0.000 0.000 0.225 91 M C 0.124 176.435 176.300 0.018 0.000 1.428 91 M CA -0.051 55.258 55.300 0.014 0.000 1.613 91 M CB -0.406 32.204 32.600 0.016 0.000 1.063 91 M HN 0.176 nan 8.290 nan 0.000 0.593 92 N N -1.070 117.639 118.700 0.016 0.000 2.380 92 N HA 0.042 4.782 4.740 -0.000 0.000 0.255 92 N C 0.012 175.529 175.510 0.012 0.000 1.158 92 N CA -0.343 52.716 53.050 0.016 0.000 0.878 92 N CB 0.368 38.866 38.487 0.019 0.000 1.138 92 N HN 0.166 nan 8.380 nan 0.000 0.509 93 S N 0.650 116.356 115.700 0.011 0.000 2.537 93 S HA 0.248 4.717 4.470 -0.000 0.000 0.286 93 S C -0.099 174.506 174.600 0.008 0.000 1.299 93 S CA -0.394 57.812 58.200 0.010 0.000 1.067 93 S CB -0.052 63.153 63.200 0.007 0.000 0.864 93 S HN 0.344 nan 8.310 nan 0.000 0.494 94 I N 4.615 125.193 120.570 0.013 0.000 2.447 94 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 94 I C -0.879 175.259 176.117 0.035 0.000 1.023 94 I CA -0.675 60.623 61.300 -0.003 0.000 1.083 94 I CB 1.766 39.755 38.000 -0.018 0.000 1.245 94 I HN 0.719 nan 8.210 nan 0.000 0.434 95 H N 7.748 126.751 119.070 -0.113 0.000 2.887 95 H HA 0.432 4.988 4.556 -0.000 0.000 0.300 95 H C -1.057 174.135 175.328 -0.227 0.000 1.038 95 H CA -0.650 55.309 56.048 -0.149 0.000 1.352 95 H CB 0.668 30.363 29.762 -0.112 0.000 1.473 95 H HN 0.286 nan 8.280 nan 0.000 0.503 96 I N 3.743 123.960 120.570 -0.589 0.000 2.496 96 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 96 I C 0.698 176.270 176.117 -0.909 0.000 1.080 96 I CA 0.072 60.914 61.300 -0.763 0.000 1.404 96 I CB 0.866 38.255 38.000 -1.020 0.000 1.403 96 I HN 0.712 nan 8.210 nan 0.000 0.539 97 D N 5.593 125.580 120.400 -0.688 0.000 2.772 97 D HA 0.055 4.695 4.640 -0.000 0.000 0.273 97 D C 1.428 177.551 176.300 -0.294 0.000 1.233 97 D CA -0.136 53.570 54.000 -0.490 0.000 0.984 97 D CB 0.583 41.154 40.800 -0.381 0.000 1.000 97 D HN 0.686 nan 8.370 nan 0.000 0.514 98 T N -0.431 113.960 114.554 -0.272 0.000 2.653 98 T HA -0.340 4.010 4.350 -0.000 0.000 0.267 98 T C 1.873 176.522 174.700 -0.086 0.000 1.037 98 T CA 1.700 63.726 62.100 -0.122 0.000 1.159 98 T CB -0.419 68.449 68.868 -0.000 0.000 0.859 98 T HN 0.262 nan 8.240 nan 0.000 0.449 99 A N 2.396 125.171 122.820 -0.074 0.000 1.849 99 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 99 A C 2.802 180.347 177.584 -0.066 0.000 1.225 99 A CA 2.028 54.034 52.037 -0.052 0.000 0.653 99 A CB -1.626 17.351 19.000 -0.037 0.000 0.844 99 A HN 0.752 nan 8.150 nan 0.000 0.453 100 G N -1.863 106.888 108.800 -0.081 0.000 2.776 100 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 100 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 100 G C 0.594 175.425 174.900 -0.115 0.000 1.145 100 G CA 1.343 46.393 45.100 -0.083 0.000 0.791 100 G HN 1.543 nan 8.290 nan 0.000 0.530 101 S N -0.853 114.761 115.700 -0.143 0.000 3.625 101 S HA -0.153 4.317 4.470 -0.000 0.000 0.426 101 S C 0.533 174.997 174.600 -0.228 0.000 0.884 101 S CA 1.251 59.340 58.200 -0.185 0.000 1.322 101 S CB -1.112 61.983 63.200 -0.175 0.000 0.905 101 S HN 1.142 nan 8.310 nan 0.000 0.586 102 R N 0.250 120.611 120.500 -0.232 0.000 2.829 102 R HA 0.923 5.263 4.340 -0.000 0.000 0.267 102 R C -0.894 175.251 176.300 -0.258 0.000 1.051 102 R CA -0.798 55.169 56.100 -0.223 0.000 0.927 102 R CB 0.551 30.756 30.300 -0.159 0.000 1.292 102 R HN 1.032 nan 8.270 nan 0.000 0.445 103 A N 0.487 123.176 122.820 -0.219 0.000 2.574 103 A HA 0.663 4.983 4.320 -0.000 0.000 0.297 103 A C -1.522 175.967 177.584 -0.158 0.000 1.062 103 A CA -0.843 51.043 52.037 -0.251 0.000 0.686 103 A CB 2.084 20.932 19.000 -0.253 0.000 1.285 103 A HN 0.649 nan 8.150 nan 0.000 0.403 104 R N 1.868 122.291 120.500 -0.128 0.000 2.310 104 R HA 0.711 5.051 4.340 -0.000 0.000 0.324 104 R C -1.468 174.814 176.300 -0.030 0.000 0.955 104 R CA -0.341 55.745 56.100 -0.025 0.000 0.830 104 R CB 0.568 30.908 30.300 0.066 0.000 1.154 104 R HN 0.691 nan 8.270 nan 0.000 0.458 105 I N 2.418 122.969 120.570 -0.031 0.000 2.603 105 I HA 0.403 4.573 4.170 -0.000 0.000 0.300 105 I C 0.578 176.704 176.117 0.016 0.000 1.017 105 I CA -1.082 60.194 61.300 -0.040 0.000 1.098 105 I CB 2.258 40.184 38.000 -0.124 0.000 1.279 105 I HN 0.682 nan 8.210 nan 0.000 0.437 106 G N 2.322 111.133 108.800 0.018 0.000 2.377 106 G HA2 0.397 4.357 3.960 -0.000 0.000 0.299 106 G HA3 0.397 4.357 3.960 -0.000 0.000 0.299 106 G C 0.987 175.918 174.900 0.052 0.000 1.150 106 G CA -0.070 45.051 45.100 0.034 0.000 0.847 106 G HN 0.911 nan 8.290 nan 0.000 0.501 107 G N 1.720 110.552 108.800 0.053 0.000 2.728 107 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.224 107 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.224 107 G C 1.637 176.571 174.900 0.057 0.000 1.123 107 G CA 1.612 46.744 45.100 0.053 0.000 0.755 107 G HN 1.104 nan 8.290 nan 0.000 0.622 108 G N -0.629 108.198 108.800 0.045 0.000 2.777 108 G HA2 0.289 4.249 3.960 -0.000 0.000 0.211 108 G HA3 0.289 4.249 3.960 -0.000 0.000 0.211 108 G C 0.651 175.586 174.900 0.058 0.000 1.149 108 G CA 0.341 45.468 45.100 0.044 0.000 0.785 108 G HN 0.408 nan 8.290 nan 0.000 0.536 109 V N 2.181 122.131 119.914 0.060 0.000 2.843 109 V HA -0.054 4.066 4.120 -0.000 0.000 0.305 109 V C 0.444 176.591 176.094 0.089 0.000 1.120 109 V CA 0.165 62.497 62.300 0.052 0.000 1.254 109 V CB 0.640 32.471 31.823 0.012 0.000 0.901 109 V HN 0.092 nan 8.190 nan 0.000 0.503 110 I N 3.596 124.210 120.570 0.074 0.000 2.460 110 I HA 0.277 4.447 4.170 -0.000 0.000 0.298 110 I C 1.428 177.604 176.117 0.099 0.000 0.989 110 I CA -0.036 61.322 61.300 0.097 0.000 1.173 110 I CB 1.185 39.237 38.000 0.085 0.000 1.338 110 I HN 0.724 nan 8.210 nan 0.000 0.456 111 S N 4.585 120.370 115.700 0.141 0.000 2.414 111 S HA -0.263 4.207 4.470 -0.000 0.000 0.238 111 S C 1.986 176.637 174.600 0.085 0.000 1.055 111 S CA 2.348 60.636 58.200 0.146 0.000 1.174 111 S CB -0.636 62.647 63.200 0.137 0.000 1.087 111 S HN 0.971 nan 8.310 nan 0.000 0.428 112 G N 2.308 111.157 108.800 0.081 0.000 2.732 112 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.222 112 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.222 112 G C 1.014 175.944 174.900 0.050 0.000 1.203 112 G CA 1.735 46.873 45.100 0.064 0.000 0.780 112 G HN 0.509 nan 8.290 nan 0.000 0.621 113 D N 0.171 120.599 120.400 0.047 0.000 2.133 113 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 113 D C 2.390 178.698 176.300 0.014 0.000 0.997 113 D CA 1.086 55.105 54.000 0.033 0.000 0.840 113 D CB -0.516 40.302 40.800 0.030 0.000 0.947 113 D HN 0.280 nan 8.370 nan 0.000 0.452 114 L N 0.844 122.058 121.223 -0.014 0.000 2.046 114 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 114 L C 2.210 179.072 176.870 -0.014 0.000 1.077 114 L CA 1.337 56.135 54.840 -0.070 0.000 0.747 114 L CB -0.586 41.354 42.059 -0.198 0.000 0.896 114 L HN -0.120 nan 8.230 nan 0.000 0.432 115 V N -0.151 119.782 119.914 0.032 0.000 2.237 115 V HA -0.331 3.789 4.120 -0.000 0.000 0.245 115 V C 2.635 178.776 176.094 0.078 0.000 1.046 115 V CA 2.223 64.573 62.300 0.084 0.000 1.007 115 V CB -0.747 31.123 31.823 0.078 0.000 0.638 115 V HN 0.441 nan 8.190 nan 0.000 0.445 116 K N -0.362 120.071 120.400 0.055 0.000 2.034 116 K HA -0.297 4.023 4.320 -0.000 0.000 0.214 116 K C 2.226 178.868 176.600 0.069 0.000 1.051 116 K CA 2.305 58.623 56.287 0.052 0.000 0.931 116 K CB -0.219 32.306 32.500 0.042 0.000 0.715 116 K HN 0.448 nan 8.250 nan 0.000 0.446 117 E N 0.308 120.554 120.200 0.077 0.000 2.001 117 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 117 E C 1.732 178.451 176.600 0.199 0.000 1.002 117 E CA 1.712 58.189 56.400 0.129 0.000 0.819 117 E CB -0.406 29.353 29.700 0.098 0.000 0.769 117 E HN 0.291 nan 8.360 nan 0.000 0.454 118 A N 0.674 123.569 122.820 0.126 0.000 2.093 118 A HA -0.202 4.118 4.320 -0.000 0.000 0.222 118 A C 2.308 179.996 177.584 0.173 0.000 1.162 118 A CA 2.254 54.367 52.037 0.127 0.000 0.655 118 A CB -1.039 17.972 19.000 0.019 0.000 0.805 118 A HN 0.399 nan 8.150 nan 0.000 0.461 119 A N -0.359 122.546 122.820 0.142 0.000 1.873 119 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 119 A C 2.034 179.664 177.584 0.077 0.000 1.186 119 A CA 2.064 54.169 52.037 0.113 0.000 0.616 119 A CB -0.449 18.606 19.000 0.092 0.000 0.823 119 A HN 0.429 nan 8.150 nan 0.000 0.442 120 K N -0.594 119.832 120.400 0.045 0.000 2.052 120 K HA -0.178 4.142 4.320 -0.000 0.000 0.215 120 K C 1.103 177.549 176.600 -0.257 0.000 1.053 120 K CA 2.132 58.332 56.287 -0.146 0.000 0.934 120 K CB -0.578 31.751 32.500 -0.285 0.000 0.717 120 K HN 0.538 nan 8.250 nan 0.000 0.450 121 F N -0.192 119.750 119.950 -0.014 0.000 2.769 121 F HA 0.173 4.700 4.527 -0.000 0.000 0.304 121 F C 1.253 177.040 175.800 -0.021 0.000 1.158 121 F CA 0.408 58.395 58.000 -0.022 0.000 1.398 121 F CB 0.001 38.977 39.000 -0.040 0.000 1.094 121 F HN 0.201 nan 8.300 nan 0.000 0.553 122 G N 1.119 109.981 108.800 0.102 0.000 2.198 122 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 122 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 122 G C -0.228 174.713 174.900 0.068 0.000 1.042 122 G CA 0.015 45.155 45.100 0.068 0.000 0.791 122 G HN 0.356 nan 8.290 nan 0.000 0.502 123 L N -1.052 120.219 121.223 0.081 0.000 2.309 123 L HA 0.941 5.281 4.340 -0.000 0.000 0.261 123 L C 0.314 177.202 176.870 0.029 0.000 1.021 123 L CA -0.839 54.017 54.840 0.027 0.000 0.823 123 L CB 2.273 44.321 42.059 -0.018 0.000 1.366 123 L HN 0.404 nan 8.230 nan 0.000 0.423 124 A N 0.671 123.480 122.820 -0.018 0.000 2.393 124 A HA 0.894 5.214 4.320 -0.000 0.000 0.306 124 A C -0.949 176.626 177.584 -0.015 0.000 1.050 124 A CA -0.442 51.586 52.037 -0.015 0.000 0.724 124 A CB 1.725 20.603 19.000 -0.202 0.000 1.248 124 A HN 0.726 nan 8.150 nan 0.000 0.424 125 A N 1.098 123.942 122.820 0.041 0.000 2.306 125 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 125 A C -0.328 177.333 177.584 0.129 0.000 1.146 125 A CA -0.472 51.590 52.037 0.041 0.000 0.827 125 A CB 0.817 19.796 19.000 -0.035 0.000 1.178 125 A HN 1.248 nan 8.150 nan 0.000 0.490 126 V N 2.592 122.602 119.914 0.160 0.000 2.405 126 V HA 0.483 4.603 4.120 -0.000 0.000 0.264 126 V C 0.832 177.067 176.094 0.235 0.000 1.048 126 V CA 0.666 63.068 62.300 0.169 0.000 0.966 126 V CB -0.042 31.863 31.823 0.136 0.000 1.015 126 V HN 1.169 nan 8.190 nan 0.000 0.477 127 T N 2.225 116.905 114.554 0.211 0.000 2.716 127 T HA 0.731 5.081 4.350 -0.000 0.000 0.286 127 T C 0.314 175.044 174.700 0.049 0.000 1.052 127 T CA -0.096 62.120 62.100 0.193 0.000 1.024 127 T CB 1.582 70.603 68.868 0.256 0.000 1.349 127 T HN 0.782 nan 8.240 nan 0.000 0.525 128 G N -0.054 108.744 108.800 -0.003 0.000 2.634 128 G HA2 0.435 4.395 3.960 -0.000 0.000 0.255 128 G HA3 0.435 4.395 3.960 -0.000 0.000 0.255 128 G C 0.782 175.613 174.900 -0.115 0.000 1.205 128 G CA -0.676 44.360 45.100 -0.107 0.000 0.884 128 G HN 0.821 nan 8.290 nan 0.000 0.549 129 M N -0.467 118.979 119.600 -0.256 0.000 2.296 129 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 129 M C 1.015 177.240 176.300 -0.126 0.000 1.064 129 M CA 0.772 55.859 55.300 -0.353 0.000 1.109 129 M CB -0.078 32.117 32.600 -0.677 0.000 1.396 129 M HN 0.461 nan 8.290 nan 0.000 0.430 130 H N 1.359 120.325 119.070 -0.174 0.000 2.502 130 H HA 0.167 4.723 4.556 -0.000 0.000 0.327 130 H C -1.928 173.330 175.328 -0.116 0.000 1.099 130 H CA -1.718 54.240 56.048 -0.150 0.000 1.323 130 H CB 1.506 31.118 29.762 -0.250 0.000 1.450 130 H HN -0.031 nan 8.280 nan 0.000 0.502 131 P HA 0.046 nan 4.420 nan 0.000 0.255 131 P C 0.632 178.035 177.300 0.172 0.000 1.248 131 P CA 0.256 63.407 63.100 0.084 0.000 0.807 131 P CB 0.726 32.435 31.700 0.015 0.000 1.150 132 K N 0.262 120.851 120.400 0.315 0.000 2.361 132 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 132 K C 1.009 177.623 176.600 0.024 0.000 1.032 132 K CA 0.231 56.630 56.287 0.186 0.000 1.048 132 K CB 0.278 32.959 32.500 0.302 0.000 0.842 132 K HN 0.143 nan 8.250 nan 0.000 0.526 133 V N -0.111 119.705 119.914 -0.164 0.000 2.614 133 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 133 V C 0.600 176.700 176.094 0.009 0.000 1.049 133 V CA -0.891 61.311 62.300 -0.164 0.000 1.038 133 V CB 0.676 32.330 31.823 -0.281 0.000 0.980 133 V HN 0.167 nan 8.190 nan 0.000 0.481 134 G N 3.049 111.875 108.800 0.042 0.000 2.340 134 G HA2 0.195 4.155 3.960 -0.000 0.000 0.245 134 G HA3 0.195 4.155 3.960 -0.000 0.000 0.245 134 G C -0.000 174.950 174.900 0.084 0.000 1.294 134 G CA 0.004 45.149 45.100 0.075 0.000 0.896 134 G HN 0.897 nan 8.290 nan 0.000 0.522 135 F N 2.531 122.475 119.950 -0.009 0.000 2.008 135 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 135 F C 2.770 178.555 175.800 -0.025 0.000 1.156 135 F CA 2.063 60.054 58.000 -0.015 0.000 1.191 135 F CB -0.702 38.295 39.000 -0.005 0.000 0.955 135 F HN 0.428 nan 8.300 nan 0.000 0.497 136 C N 0.904 120.206 119.300 0.003 0.000 2.391 136 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 136 C C 3.062 177.945 174.990 -0.177 0.000 1.217 136 C CA 1.341 60.279 59.018 -0.133 0.000 1.766 136 C CB -2.111 25.630 27.740 0.001 0.000 2.046 136 C HN 0.799 nan 8.230 nan 0.000 0.475 137 G N -0.362 108.374 108.800 -0.107 0.000 2.450 137 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 137 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 137 G C 1.551 176.368 174.900 -0.137 0.000 1.130 137 G CA 1.096 46.133 45.100 -0.105 0.000 0.760 137 G HN 0.620 nan 8.290 nan 0.000 0.557 138 L N -0.429 120.686 121.223 -0.180 0.000 2.185 138 L HA 0.428 4.768 4.340 -0.000 0.000 0.198 138 L C 3.051 179.755 176.870 -0.277 0.000 1.079 138 L CA 1.320 56.047 54.840 -0.189 0.000 0.780 138 L CB -0.426 41.526 42.059 -0.179 0.000 0.955 138 L HN 0.197 nan 8.230 nan 0.000 0.462 139 A N 1.048 123.566 122.820 -0.505 0.000 1.842 139 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 139 A C 2.137 179.518 177.584 -0.340 0.000 1.206 139 A CA 2.343 54.026 52.037 -0.590 0.000 0.630 139 A CB -1.407 16.854 19.000 -1.231 0.000 0.839 139 A HN 0.533 nan 8.150 nan 0.000 0.447 140 L N -0.210 120.836 121.223 -0.296 0.000 2.357 140 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 140 L C 1.353 178.136 176.870 -0.144 0.000 1.123 140 L CA 1.113 55.835 54.840 -0.196 0.000 0.782 140 L CB -0.545 41.410 42.059 -0.173 0.000 0.910 140 L HN 0.458 nan 8.230 nan 0.000 0.442 141 N N -0.971 117.651 118.700 -0.129 0.000 2.205 141 N HA 0.150 4.890 4.740 -0.000 0.000 0.201 141 N C 1.017 176.524 175.510 -0.005 0.000 1.128 141 N CA 0.912 53.953 53.050 -0.015 0.000 0.867 141 N CB 1.629 40.128 38.487 0.020 0.000 0.996 141 N HN 0.423 nan 8.380 nan 0.000 0.503 142 G N 0.418 109.161 108.800 -0.095 0.000 1.920 142 G HA2 0.096 4.056 3.960 -0.000 0.000 0.210 142 G HA3 0.096 4.056 3.960 -0.000 0.000 0.210 142 G C -0.134 174.671 174.900 -0.159 0.000 1.302 142 G CA 0.137 45.164 45.100 -0.121 0.000 1.333 142 G HN 0.681 nan 8.290 nan 0.000 0.452 143 G N -1.062 107.653 108.800 -0.142 0.000 3.307 143 G HA2 0.481 4.441 3.960 -0.000 0.000 0.686 143 G HA3 0.481 4.441 3.960 -0.000 0.000 0.686 143 G C -0.043 174.720 174.900 -0.229 0.000 0.983 143 G CA 0.451 45.447 45.100 -0.172 0.000 0.804 143 G HN 2.180 nan 8.290 nan 0.000 0.531 144 V N 1.389 121.131 119.914 -0.286 0.000 2.769 144 V HA 1.099 5.219 4.120 -0.000 0.000 0.312 144 V C 0.795 176.564 176.094 -0.542 0.000 1.058 144 V CA 0.258 62.265 62.300 -0.488 0.000 0.952 144 V CB 1.793 33.244 31.823 -0.620 0.000 1.019 144 V HN 2.507 nan 8.190 nan 0.000 0.445 145 G N 0.805 109.229 108.800 -0.626 0.000 2.548 145 G HA2 0.472 4.432 3.960 -0.000 0.000 0.301 145 G HA3 0.472 4.432 3.960 -0.000 0.000 0.301 145 G C -0.579 174.099 174.900 -0.370 0.000 1.349 145 G CA -0.500 44.302 45.100 -0.496 0.000 0.792 145 G HN 0.494 nan 8.290 nan 0.000 0.481 146 F N -0.164 119.748 119.950 -0.064 0.000 2.184 146 F HA -0.052 4.475 4.527 -0.000 0.000 0.301 146 F C 2.464 178.286 175.800 0.037 0.000 1.076 146 F CA 1.370 59.393 58.000 0.039 0.000 1.295 146 F CB -0.173 38.919 39.000 0.154 0.000 1.026 146 F HN 0.107 nan 8.300 nan 0.000 0.494 147 L N -1.251 120.091 121.223 0.198 0.000 2.592 147 L HA 0.016 4.356 4.340 -0.000 0.000 0.227 147 L C 1.896 178.735 176.870 -0.052 0.000 1.127 147 L CA 0.223 55.108 54.840 0.076 0.000 0.884 147 L CB -0.909 41.224 42.059 0.122 0.000 1.065 147 L HN 0.036 nan 8.230 nan 0.000 0.457 148 T N 0.837 115.311 114.554 -0.134 0.000 2.778 148 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 148 T C -0.574 173.975 174.700 -0.251 0.000 1.050 148 T CA 1.398 63.336 62.100 -0.270 0.000 1.137 148 T CB -0.754 67.825 68.868 -0.481 0.000 0.860 148 T HN 0.264 nan 8.240 nan 0.000 0.468 149 P HA -0.011 nan 4.420 nan 0.000 0.216 149 P C 1.407 178.556 177.300 -0.251 0.000 1.153 149 P CA 1.173 64.194 63.100 -0.132 0.000 0.848 149 P CB 0.064 31.713 31.700 -0.085 0.000 0.787 150 K N -2.695 117.455 120.400 -0.417 0.000 2.284 150 K HA 0.056 4.376 4.320 -0.000 0.000 0.198 150 K C 1.101 177.147 176.600 -0.922 0.000 1.048 150 K CA 0.942 56.787 56.287 -0.737 0.000 0.987 150 K CB 0.125 31.980 32.500 -1.074 0.000 0.800 150 K HN 0.201 nan 8.250 nan 0.000 0.486 151 Y N -0.673 119.470 120.300 -0.262 0.000 2.432 151 Y HA 0.252 4.802 4.550 -0.000 0.000 0.252 151 Y C 1.068 176.868 175.900 -0.167 0.000 1.097 151 Y CA 0.107 58.038 58.100 -0.281 0.000 1.250 151 Y CB 1.089 39.276 38.460 -0.455 0.000 1.245 151 Y HN 0.151 nan 8.280 nan 0.000 0.522 152 G N 0.882 109.619 108.800 -0.106 0.000 2.484 152 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 152 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 152 G C -0.717 174.060 174.900 -0.205 0.000 1.250 152 G CA -0.573 44.432 45.100 -0.158 0.000 0.926 152 G HN 0.080 nan 8.290 nan 0.000 0.581 153 L N 1.140 122.270 121.223 -0.154 0.000 2.397 153 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 153 L C 2.302 179.116 176.870 -0.094 0.000 1.148 153 L CA 0.038 54.762 54.840 -0.194 0.000 0.825 153 L CB 1.072 42.984 42.059 -0.245 0.000 1.117 153 L HN 1.125 nan 8.230 nan 0.000 0.456 154 A N 1.959 124.710 122.820 -0.115 0.000 1.958 154 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 154 A C 2.381 179.928 177.584 -0.062 0.000 1.178 154 A CA 2.344 54.344 52.037 -0.063 0.000 0.642 154 A CB -0.730 18.177 19.000 -0.156 0.000 0.816 154 A HN 0.931 nan 8.150 nan 0.000 0.453 155 S N 0.299 115.929 115.700 -0.117 0.000 2.368 155 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 155 S C 1.194 175.765 174.600 -0.050 0.000 1.030 155 S CA 1.343 59.476 58.200 -0.112 0.000 0.999 155 S CB -0.667 62.452 63.200 -0.136 0.000 0.844 155 S HN 0.550 nan 8.310 nan 0.000 0.459 156 D N 2.184 122.583 120.400 -0.002 0.000 2.403 156 D HA 0.010 4.650 4.640 -0.000 0.000 0.227 156 D C 0.614 176.968 176.300 0.090 0.000 0.995 156 D CA 0.461 54.495 54.000 0.056 0.000 0.928 156 D CB -0.419 40.457 40.800 0.127 0.000 0.887 156 D HN 0.556 nan 8.370 nan 0.000 0.529 157 N N 0.010 118.767 118.700 0.095 0.000 2.170 157 N HA 0.118 4.858 4.740 -0.000 0.000 0.222 157 N C 0.329 175.923 175.510 0.141 0.000 1.218 157 N CA -0.176 52.961 53.050 0.144 0.000 0.889 157 N CB 1.665 40.264 38.487 0.186 0.000 1.083 157 N HN 0.182 nan 8.380 nan 0.000 0.520 158 I N 1.710 122.354 120.570 0.124 0.000 2.471 158 I HA 0.038 4.208 4.170 -0.000 0.000 0.286 158 I C 1.445 177.727 176.117 0.276 0.000 1.079 158 I CA 0.039 61.438 61.300 0.164 0.000 1.398 158 I CB 1.210 39.263 38.000 0.088 0.000 1.403 158 I HN -0.079 nan 8.210 nan 0.000 0.530 159 L N 5.815 127.180 121.223 0.237 0.000 2.408 159 L HA 0.343 4.683 4.340 -0.000 0.000 0.215 159 L C 0.917 177.835 176.870 0.080 0.000 1.081 159 L CA 0.086 55.043 54.840 0.195 0.000 0.840 159 L CB 0.083 42.181 42.059 0.065 0.000 1.002 159 L HN 0.759 nan 8.230 nan 0.000 0.468 160 G N -0.641 108.251 108.800 0.154 0.000 2.576 160 G HA2 0.674 4.634 3.960 -0.000 0.000 0.290 160 G HA3 0.674 4.634 3.960 -0.000 0.000 0.290 160 G C -2.125 172.829 174.900 0.089 0.000 1.442 160 G CA 0.144 45.238 45.100 -0.010 0.000 0.792 160 G HN 0.029 nan 8.290 nan 0.000 0.491 161 A N -0.387 122.411 122.820 -0.037 0.000 2.574 161 A HA 0.880 5.200 4.320 -0.000 0.000 0.297 161 A C -0.634 176.999 177.584 0.083 0.000 1.062 161 A CA -0.515 51.555 52.037 0.054 0.000 0.686 161 A CB 1.755 20.777 19.000 0.037 0.000 1.285 161 A HN 1.117 nan 8.150 nan 0.000 0.403 162 T N 2.045 116.686 114.554 0.146 0.000 2.786 162 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 162 T C -0.785 173.964 174.700 0.082 0.000 0.992 162 T CA -0.150 62.052 62.100 0.170 0.000 0.954 162 T CB 0.506 69.478 68.868 0.173 0.000 0.934 162 T HN 0.426 nan 8.240 nan 0.000 0.440 163 L N 2.667 123.930 121.223 0.066 0.000 2.354 163 L HA 0.737 5.077 4.340 -0.000 0.000 0.264 163 L C -0.459 176.448 176.870 0.062 0.000 1.008 163 L CA -1.006 53.853 54.840 0.032 0.000 0.819 163 L CB 1.950 44.003 42.059 -0.009 0.000 1.339 163 L HN 0.356 nan 8.230 nan 0.000 0.420 164 V N 0.125 120.073 119.914 0.056 0.000 2.417 164 V HA 0.637 4.757 4.120 -0.000 0.000 0.291 164 V C 0.301 176.478 176.094 0.139 0.000 1.024 164 V CA -0.555 61.805 62.300 0.100 0.000 0.861 164 V CB 1.579 33.462 31.823 0.100 0.000 0.985 164 V HN 0.937 nan 8.190 nan 0.000 0.436 165 T N 2.013 116.682 114.554 0.191 0.000 2.897 165 T HA 0.593 4.943 4.350 -0.000 0.000 0.278 165 T C 1.447 176.351 174.700 0.340 0.000 0.981 165 T CA 0.078 62.348 62.100 0.284 0.000 0.973 165 T CB 1.721 70.756 68.868 0.278 0.000 1.092 165 T HN 0.781 nan 8.240 nan 0.000 0.543 166 A N 0.746 123.813 122.820 0.411 0.000 2.042 166 A HA -0.103 4.217 4.320 -0.000 0.000 0.222 166 A C 2.455 180.104 177.584 0.107 0.000 1.167 166 A CA 2.605 54.754 52.037 0.186 0.000 0.649 166 A CB -1.848 17.200 19.000 0.081 0.000 0.809 166 A HN 1.130 nan 8.150 nan 0.000 0.457 167 T N -4.789 109.840 114.554 0.126 0.000 2.942 167 T HA 0.347 4.697 4.350 -0.000 0.000 0.265 167 T C 1.590 176.340 174.700 0.085 0.000 1.062 167 T CA 1.473 63.624 62.100 0.085 0.000 1.139 167 T CB -0.042 68.872 68.868 0.077 0.000 0.883 167 T HN 1.625 nan 8.240 nan 0.000 0.468 168 G N 0.695 109.561 108.800 0.110 0.000 2.336 168 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.194 168 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.194 168 G C -0.366 174.590 174.900 0.094 0.000 0.999 168 G CA -0.149 45.010 45.100 0.098 0.000 0.669 168 G HN 0.566 nan 8.290 nan 0.000 0.482 169 D N 0.272 120.731 120.400 0.098 0.000 2.423 169 D HA 0.442 5.082 4.640 -0.000 0.000 0.238 169 D C 0.291 176.653 176.300 0.103 0.000 1.142 169 D CA 0.381 54.437 54.000 0.093 0.000 0.884 169 D CB 1.688 42.546 40.800 0.096 0.000 1.199 169 D HN 0.146 nan 8.370 nan 0.000 0.438 170 V N 3.743 123.711 119.914 0.090 0.000 2.334 170 V HA 0.367 4.487 4.120 -0.000 0.000 0.281 170 V C 0.136 176.293 176.094 0.106 0.000 1.016 170 V CA -0.567 61.788 62.300 0.092 0.000 0.832 170 V CB 0.561 32.427 31.823 0.072 0.000 0.999 170 V HN 0.360 nan 8.190 nan 0.000 0.439 171 I N 2.558 123.203 120.570 0.125 0.000 2.797 171 I HA 0.721 4.891 4.170 -0.000 0.000 0.307 171 I C -1.273 174.952 176.117 0.180 0.000 1.033 171 I CA -1.054 60.335 61.300 0.148 0.000 1.071 171 I CB 2.128 40.227 38.000 0.165 0.000 1.255 171 I HN 0.525 nan 8.210 nan 0.000 0.445 172 Y N 4.140 124.461 120.300 0.035 0.000 2.524 172 Y HA 0.746 5.296 4.550 -0.000 0.000 0.344 172 Y C -0.723 175.183 175.900 0.009 0.000 1.012 172 Y CA -1.092 57.017 58.100 0.015 0.000 1.068 172 Y CB 1.819 40.280 38.460 0.002 0.000 1.249 172 Y HN 1.069 nan 8.280 nan 0.000 0.468 173 C N 3.209 122.021 119.300 -0.813 0.000 2.891 173 C HA 0.938 5.398 4.460 -0.000 0.000 0.342 173 C C -0.718 173.741 174.990 -0.884 0.000 1.126 173 C CA 0.032 58.674 59.018 -0.625 0.000 1.322 173 C CB 0.711 28.317 27.740 -0.224 0.000 1.763 173 C HN 1.191 nan 8.230 nan 0.000 0.491 174 S N 0.770 115.986 115.700 -0.807 0.000 2.873 174 S HA 0.546 5.016 4.470 -0.000 0.000 0.303 174 S C 0.164 174.118 174.600 -1.076 0.000 1.222 174 S CA 0.290 57.745 58.200 -1.242 0.000 0.923 174 S CB 0.760 63.512 63.200 -0.748 0.000 1.286 174 S HN 0.954 nan 8.310 nan 0.000 0.571 175 D N 0.017 119.821 120.400 -0.993 0.000 2.378 175 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 175 D C 0.022 176.223 176.300 -0.165 0.000 1.012 175 D CA 0.543 54.327 54.000 -0.360 0.000 0.905 175 D CB -0.237 40.464 40.800 -0.165 0.000 0.895 175 D HN 0.453 nan 8.370 nan 0.000 0.532 176 D N 0.542 120.833 120.400 -0.183 0.000 2.725 176 D HA -0.008 4.632 4.640 -0.000 0.000 0.269 176 D C 0.423 176.697 176.300 -0.044 0.000 1.018 176 D CA 0.176 54.133 54.000 -0.072 0.000 0.956 176 D CB 0.395 41.175 40.800 -0.033 0.000 1.141 176 D HN 0.263 nan 8.370 nan 0.000 0.478 177 E N 1.131 121.294 120.200 -0.063 0.000 2.227 177 E HA 0.257 4.607 4.350 -0.000 0.000 0.282 177 E C -0.606 175.964 176.600 -0.051 0.000 1.015 177 E CA -0.470 55.920 56.400 -0.015 0.000 0.823 177 E CB 0.569 30.318 29.700 0.081 0.000 1.081 177 E HN -0.090 nan 8.360 nan 0.000 0.396 178 R N 3.578 124.086 120.500 0.014 0.000 3.022 178 R HA -0.138 4.202 4.340 -0.000 0.000 0.248 178 R C -1.907 174.415 176.300 0.035 0.000 0.874 178 R CA 0.374 56.499 56.100 0.042 0.000 0.626 178 R CB -0.818 29.514 30.300 0.053 0.000 1.255 178 R HN 0.602 nan 8.270 nan 0.000 0.496 179 P HA -0.159 nan 4.420 nan 0.000 0.222 179 P C 0.925 178.324 177.300 0.166 0.000 1.153 179 P CA 1.114 64.286 63.100 0.121 0.000 0.798 179 P CB 0.323 32.070 31.700 0.078 0.000 0.796 180 E N -0.063 120.195 120.200 0.097 0.000 2.208 180 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 180 E C 1.893 178.557 176.600 0.106 0.000 0.988 180 E CA 0.468 56.925 56.400 0.095 0.000 0.828 180 E CB -0.939 28.782 29.700 0.035 0.000 0.763 180 E HN 0.041 nan 8.360 nan 0.000 0.478 181 L N -0.294 120.925 121.223 -0.008 0.000 2.007 181 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 181 L C 2.028 178.803 176.870 -0.158 0.000 1.073 181 L CA 1.782 56.467 54.840 -0.259 0.000 0.744 181 L CB -1.130 40.677 42.059 -0.420 0.000 0.898 181 L HN 0.272 nan 8.230 nan 0.000 0.435 182 F N -0.620 119.227 119.950 -0.173 0.000 2.176 182 F HA -0.322 4.205 4.527 -0.000 0.000 0.301 182 F C 2.102 177.863 175.800 -0.066 0.000 1.071 182 F CA 1.993 59.909 58.000 -0.141 0.000 1.289 182 F CB -0.771 38.162 39.000 -0.112 0.000 1.028 182 F HN 0.447 nan 8.300 nan 0.000 0.494 183 W N 1.139 122.307 121.300 -0.220 0.000 2.329 183 W HA -0.190 4.470 4.660 -0.000 0.000 0.324 183 W C 2.436 178.779 176.519 -0.293 0.000 1.222 183 W CA 2.999 60.182 57.345 -0.270 0.000 1.270 183 W CB -1.140 28.239 29.460 -0.134 0.000 1.167 183 W HN 0.037 nan 8.180 nan 0.000 0.467 184 A N -0.104 122.416 122.820 -0.501 0.000 2.015 184 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 184 A C 1.982 179.280 177.584 -0.477 0.000 1.163 184 A CA 2.011 53.591 52.037 -0.761 0.000 0.646 184 A CB -1.162 17.506 19.000 -0.555 0.000 0.806 184 A HN 0.251 nan 8.150 nan 0.000 0.448 185 V N 0.231 119.900 119.914 -0.410 0.000 2.568 185 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 185 V C 1.637 177.567 176.094 -0.274 0.000 1.072 185 V CA 1.696 63.845 62.300 -0.251 0.000 1.084 185 V CB -0.879 30.814 31.823 -0.217 0.000 0.676 185 V HN 0.493 nan 8.190 nan 0.000 0.469 186 R N 0.354 120.603 120.500 -0.419 0.000 4.609 186 R HA 0.381 4.721 4.340 -0.000 0.000 0.235 186 R C 1.055 177.181 176.300 -0.289 0.000 1.836 186 R CA 0.630 56.514 56.100 -0.360 0.000 1.564 186 R CB -0.072 29.956 30.300 -0.452 0.000 1.382 186 R HN 0.539 nan 8.270 nan 0.000 0.776 187 G N -1.111 107.565 108.800 -0.208 0.000 3.859 187 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 187 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 187 G C 0.307 175.229 174.900 0.037 0.000 0.892 187 G CA 0.144 45.195 45.100 -0.082 0.000 0.858 187 G HN 0.357 nan 8.290 nan 0.000 0.625 188 A N 0.275 123.061 122.820 -0.057 0.000 2.504 188 A HA 0.648 4.968 4.320 -0.000 0.000 0.263 188 A C 1.873 179.421 177.584 -0.061 0.000 0.885 188 A CA 1.264 53.278 52.037 -0.039 0.000 1.086 188 A CB -0.326 18.579 19.000 -0.159 0.000 1.203 188 A HN 1.301 nan 8.150 nan 0.000 0.496 189 G N 2.082 110.853 108.800 -0.048 0.000 2.599 189 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 189 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 189 G C -0.202 174.583 174.900 -0.191 0.000 1.193 189 G CA 1.856 46.936 45.100 -0.033 0.000 0.778 189 G HN 0.452 nan 8.290 nan 0.000 0.589 190 P HA -0.156 nan 4.420 nan 0.000 0.219 190 P C 1.596 178.622 177.300 -0.457 0.000 1.149 190 P CA 1.193 64.090 63.100 -0.337 0.000 0.835 190 P CB -0.076 31.436 31.700 -0.314 0.000 0.778 191 N N -1.956 116.387 118.700 -0.594 0.000 2.550 191 N HA -0.030 4.710 4.740 -0.000 0.000 0.186 191 N C 0.440 175.312 175.510 -1.063 0.000 1.110 191 N CA 0.865 53.409 53.050 -0.844 0.000 0.912 191 N CB -0.095 37.722 38.487 -1.117 0.000 0.968 191 N HN 0.239 nan 8.380 nan 0.000 0.448 192 F N -0.980 118.827 119.950 -0.239 0.000 2.729 192 F HA 0.425 4.951 4.527 -0.000 0.000 0.315 192 F C 1.246 176.881 175.800 -0.274 0.000 1.102 192 F CA -0.286 57.603 58.000 -0.183 0.000 1.204 192 F CB 0.772 39.622 39.000 -0.250 0.000 1.052 192 F HN -0.153 nan 8.300 nan 0.000 0.551 193 G N -0.244 108.190 108.800 -0.610 0.000 2.352 193 G HA2 0.308 4.268 3.960 -0.000 0.000 0.283 193 G HA3 0.308 4.268 3.960 -0.000 0.000 0.283 193 G C -2.060 172.361 174.900 -0.798 0.000 1.308 193 G CA -0.890 43.751 45.100 -0.766 0.000 0.892 193 G HN -0.196 nan 8.290 nan 0.000 0.504 194 V N 0.606 120.284 119.914 -0.394 0.000 2.347 194 V HA 0.507 4.627 4.120 -0.000 0.000 0.280 194 V C 0.393 176.425 176.094 -0.104 0.000 1.021 194 V CA -0.623 61.549 62.300 -0.213 0.000 0.847 194 V CB 1.292 33.091 31.823 -0.041 0.000 0.990 194 V HN 0.702 nan 8.190 nan 0.000 0.444 195 V N 5.355 125.214 119.914 -0.092 0.000 2.427 195 V HA 0.134 4.254 4.120 -0.000 0.000 0.268 195 V C 1.493 177.589 176.094 0.002 0.000 1.046 195 V CA 0.667 62.948 62.300 -0.033 0.000 0.970 195 V CB 1.177 32.983 31.823 -0.029 0.000 1.001 195 V HN 1.086 nan 8.190 nan 0.000 0.476 196 T N 0.965 115.534 114.554 0.025 0.000 3.057 196 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 196 T C 0.425 175.152 174.700 0.045 0.000 1.094 196 T CA 0.262 62.382 62.100 0.034 0.000 1.088 196 T CB 0.341 69.232 68.868 0.037 0.000 0.934 196 T HN 0.633 nan 8.240 nan 0.000 0.497 197 E N -0.259 119.977 120.200 0.060 0.000 2.354 197 E HA 0.510 4.860 4.350 -0.000 0.000 0.283 197 E C -2.267 174.390 176.600 0.095 0.000 0.938 197 E CA -0.715 55.728 56.400 0.071 0.000 0.777 197 E CB 2.874 32.613 29.700 0.066 0.000 1.222 197 E HN 0.078 nan 8.360 nan 0.000 0.423 198 V N 3.134 123.110 119.914 0.102 0.000 2.823 198 V HA 0.523 4.643 4.120 -0.000 0.000 0.312 198 V C -1.278 174.883 176.094 0.111 0.000 1.072 198 V CA -0.427 61.951 62.300 0.130 0.000 0.937 198 V CB 2.045 33.979 31.823 0.185 0.000 1.013 198 V HN 0.735 nan 8.190 nan 0.000 0.430 199 E N 3.429 123.703 120.200 0.123 0.000 2.166 199 E HA 0.664 5.014 4.350 -0.000 0.000 0.275 199 E C -1.459 175.193 176.600 0.087 0.000 0.941 199 E CA -0.454 55.995 56.400 0.081 0.000 0.784 199 E CB 2.258 32.015 29.700 0.094 0.000 1.115 199 E HN 0.534 nan 8.360 nan 0.000 0.399 200 V N 2.789 122.716 119.914 0.021 0.000 2.914 200 V HA 0.220 4.339 4.120 -0.000 0.000 0.314 200 V C -0.340 175.714 176.094 -0.068 0.000 1.084 200 V CA -0.838 61.476 62.300 0.024 0.000 0.963 200 V CB 2.173 34.007 31.823 0.018 0.000 1.025 200 V HN 0.654 nan 8.190 nan 0.000 0.432 201 Q N 1.898 121.652 119.800 -0.077 0.000 2.260 201 Q HA 0.685 5.025 4.340 -0.000 0.000 0.242 201 Q C -1.467 174.282 176.000 -0.419 0.000 0.932 201 Q CA -0.323 55.331 55.803 -0.249 0.000 0.891 201 Q CB 1.292 29.884 28.738 -0.244 0.000 1.222 201 Q HN 0.617 nan 8.270 nan 0.000 0.453 202 L N 2.429 123.281 121.223 -0.620 0.000 2.323 202 L HA 0.596 4.936 4.340 -0.000 0.000 0.265 202 L C -1.270 175.030 176.870 -0.950 0.000 1.012 202 L CA -1.018 53.469 54.840 -0.589 0.000 0.820 202 L CB 1.483 43.350 42.059 -0.321 0.000 1.334 202 L HN 0.688 nan 8.230 nan 0.000 0.427 203 Y N -1.255 118.884 120.300 -0.269 0.000 2.609 203 Y HA 0.287 4.836 4.550 -0.000 0.000 0.342 203 Y C -0.189 175.620 175.900 -0.152 0.000 1.058 203 Y CA -1.166 56.770 58.100 -0.273 0.000 1.055 203 Y CB 1.222 39.340 38.460 -0.569 0.000 1.292 203 Y HN 0.381 nan 8.280 nan 0.000 0.476 204 E N 2.521 122.772 120.200 0.085 0.000 2.614 204 E HA -0.054 4.296 4.350 -0.000 0.000 0.245 204 E C -0.417 176.205 176.600 0.037 0.000 1.039 204 E CA 0.090 56.523 56.400 0.054 0.000 0.948 204 E CB 0.357 30.098 29.700 0.069 0.000 0.937 204 E HN 0.549 nan 8.360 nan 0.000 0.498 205 L N 6.072 127.305 121.223 0.017 0.000 2.584 205 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 205 L C -2.141 174.740 176.870 0.018 0.000 1.195 205 L CA -0.979 53.862 54.840 0.001 0.000 0.920 205 L CB 0.316 42.407 42.059 0.054 0.000 1.173 205 L HN 0.164 nan 8.230 nan 0.000 0.489 206 P HA 0.106 nan 4.420 nan 0.000 0.265 206 P C -0.394 176.952 177.300 0.076 0.000 1.222 206 P CA 0.265 63.384 63.100 0.033 0.000 0.767 206 P CB 0.657 32.367 31.700 0.017 0.000 0.801 207 R N 2.440 122.972 120.500 0.053 0.000 2.206 207 R HA 0.136 4.476 4.340 -0.000 0.000 0.198 207 R C 0.278 176.599 176.300 0.035 0.000 0.986 207 R CA 0.630 56.758 56.100 0.048 0.000 1.029 207 R CB 0.365 30.685 30.300 0.033 0.000 0.966 207 R HN 0.377 nan 8.270 nan 0.000 0.487 208 K N 1.164 121.582 120.400 0.029 0.000 2.646 208 K HA 0.319 4.639 4.320 -0.000 0.000 0.210 208 K C -0.984 175.624 176.600 0.013 0.000 1.020 208 K CA -0.053 56.243 56.287 0.014 0.000 1.040 208 K CB 1.673 34.176 32.500 0.005 0.000 1.253 208 K HN -0.072 nan 8.250 nan 0.000 0.532 209 M N 2.416 122.025 119.600 0.015 0.000 2.423 209 M HA 0.404 4.884 4.480 -0.000 0.000 0.335 209 M C -0.229 176.065 176.300 -0.009 0.000 1.177 209 M CA -0.866 54.444 55.300 0.017 0.000 1.038 209 M CB 1.450 34.058 32.600 0.013 0.000 1.641 209 M HN 0.229 nan 8.290 nan 0.000 0.455 210 L N 2.580 123.807 121.223 0.008 0.000 2.260 210 L HA 0.654 4.994 4.340 -0.000 0.000 0.289 210 L C -0.291 176.569 176.870 -0.018 0.000 1.057 210 L CA -0.416 54.420 54.840 -0.007 0.000 0.811 210 L CB 0.769 42.826 42.059 -0.004 0.000 1.184 210 L HN 0.841 nan 8.230 nan 0.000 0.429 211 A N 3.005 125.781 122.820 -0.072 0.000 2.475 211 A HA 0.968 5.288 4.320 -0.000 0.000 0.301 211 A C -0.245 177.249 177.584 -0.150 0.000 1.059 211 A CA 0.112 52.058 52.037 -0.151 0.000 0.710 211 A CB 2.008 20.863 19.000 -0.241 0.000 1.288 211 A HN 0.793 nan 8.150 nan 0.000 0.408 212 G N -0.383 108.274 108.800 -0.238 0.000 2.344 212 G HA2 0.516 4.476 3.960 -0.000 0.000 0.282 212 G HA3 0.516 4.476 3.960 -0.000 0.000 0.282 212 G C -1.781 172.877 174.900 -0.403 0.000 1.281 212 G CA -0.622 44.346 45.100 -0.220 0.000 0.877 212 G HN 0.799 nan 8.290 nan 0.000 0.494 213 F N -0.244 119.714 119.950 0.015 0.000 2.563 213 F HA 0.827 5.354 4.527 -0.000 0.000 0.316 213 F C 0.302 176.066 175.800 -0.059 0.000 1.076 213 F CA -0.734 57.280 58.000 0.023 0.000 0.921 213 F CB 2.440 41.468 39.000 0.046 0.000 1.209 213 F HN 0.310 nan 8.300 nan 0.000 0.462 214 I N 1.458 122.067 120.570 0.066 0.000 2.582 214 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 214 I C -0.985 174.892 176.117 -0.401 0.000 1.066 214 I CA -0.423 60.725 61.300 -0.254 0.000 1.053 214 I CB 2.614 40.366 38.000 -0.413 0.000 1.241 214 I HN 0.512 nan 8.210 nan 0.000 0.421 215 T N 4.105 118.354 114.554 -0.508 0.000 2.876 215 T HA 0.505 4.855 4.350 -0.000 0.000 0.289 215 T C -1.252 173.180 174.700 -0.448 0.000 1.014 215 T CA -0.597 61.305 62.100 -0.330 0.000 0.986 215 T CB 1.610 70.430 68.868 -0.081 0.000 1.021 215 T HN 0.348 nan 8.240 nan 0.000 0.458 216 W N 0.828 122.177 121.300 0.081 0.000 2.761 216 W HA 0.647 5.307 4.660 -0.000 0.000 0.340 216 W C -0.452 176.101 176.519 0.057 0.000 1.072 216 W CA -1.264 56.118 57.345 0.062 0.000 1.215 216 W CB 1.932 31.426 29.460 0.058 0.000 1.420 216 W HN 0.706 nan 8.180 nan 0.000 0.519 217 A N 4.269 127.250 122.820 0.270 0.000 3.165 217 A HA 0.402 4.722 4.320 -0.000 0.000 0.331 217 A C -1.933 175.733 177.584 0.137 0.000 1.034 217 A CA -1.067 51.069 52.037 0.166 0.000 0.906 217 A CB -0.388 18.678 19.000 0.109 0.000 1.054 217 A HN 0.238 nan 8.150 nan 0.000 0.484 218 P HA 0.219 nan 4.420 nan 0.000 0.272 218 P C 0.441 177.767 177.300 0.043 0.000 1.240 218 P CA 0.141 63.284 63.100 0.072 0.000 0.791 218 P CB 1.099 32.822 31.700 0.039 0.000 0.978 219 S N -0.083 115.630 115.700 0.021 0.000 2.655 219 S HA 0.122 4.592 4.470 -0.000 0.000 0.265 219 S C 1.386 175.980 174.600 -0.010 0.000 1.240 219 S CA -0.486 57.719 58.200 0.008 0.000 0.986 219 S CB 0.117 63.319 63.200 0.004 0.000 0.985 219 S HN 0.193 nan 8.310 nan 0.000 0.562 220 V N 1.861 121.763 119.914 -0.020 0.000 2.358 220 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 220 V C 2.945 179.014 176.094 -0.042 0.000 1.047 220 V CA 2.190 64.466 62.300 -0.041 0.000 1.035 220 V CB -1.526 30.270 31.823 -0.046 0.000 0.658 220 V HN 1.042 nan 8.190 nan 0.000 0.452 221 S N -0.197 115.484 115.700 -0.032 0.000 2.507 221 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 221 S C 1.589 176.169 174.600 -0.033 0.000 0.988 221 S CA 1.346 59.527 58.200 -0.032 0.000 0.944 221 S CB -0.328 62.858 63.200 -0.024 0.000 0.762 221 S HN 0.760 nan 8.310 nan 0.000 0.526 222 E N 0.182 120.364 120.200 -0.030 0.000 2.307 222 E HA 0.150 4.500 4.350 -0.000 0.000 0.195 222 E C 1.691 178.262 176.600 -0.048 0.000 0.975 222 E CA 0.164 56.544 56.400 -0.033 0.000 0.878 222 E CB -0.217 29.472 29.700 -0.018 0.000 0.845 222 E HN 0.331 nan 8.360 nan 0.000 0.488 223 L N 2.068 123.264 121.223 -0.045 0.000 1.952 223 L HA -0.296 4.044 4.340 -0.000 0.000 0.231 223 L C 2.361 179.189 176.870 -0.070 0.000 1.088 223 L CA 2.531 57.339 54.840 -0.053 0.000 0.802 223 L CB -1.042 40.980 42.059 -0.061 0.000 0.903 223 L HN 0.112 nan 8.230 nan 0.000 0.439 224 A N -0.821 121.954 122.820 -0.075 0.000 1.971 224 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 224 A C 2.274 179.818 177.584 -0.066 0.000 1.182 224 A CA 2.333 54.325 52.037 -0.075 0.000 0.649 224 A CB -1.779 17.177 19.000 -0.073 0.000 0.818 224 A HN 0.700 nan 8.150 nan 0.000 0.458 225 G N -0.360 108.399 108.800 -0.068 0.000 2.552 225 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 225 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 225 G C 1.472 176.311 174.900 -0.102 0.000 1.240 225 G CA 1.216 46.273 45.100 -0.072 0.000 0.796 225 G HN 0.572 nan 8.290 nan 0.000 0.568 226 L N 0.162 121.301 121.223 -0.139 0.000 1.956 226 L HA -0.092 4.248 4.340 -0.000 0.000 0.216 226 L C 2.657 179.395 176.870 -0.220 0.000 1.073 226 L CA 1.948 56.645 54.840 -0.239 0.000 0.762 226 L CB -0.881 41.000 42.059 -0.298 0.000 0.889 226 L HN 0.194 nan 8.230 nan 0.000 0.433 227 L N -0.619 120.519 121.223 -0.142 0.000 1.997 227 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 227 L C 2.480 179.324 176.870 -0.044 0.000 1.074 227 L CA 2.689 57.484 54.840 -0.073 0.000 0.763 227 L CB -1.296 40.751 42.059 -0.020 0.000 0.890 227 L HN 0.468 nan 8.230 nan 0.000 0.434 228 T N -1.186 113.346 114.554 -0.036 0.000 2.684 228 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 228 T C 1.983 176.658 174.700 -0.042 0.000 1.036 228 T CA 1.688 63.780 62.100 -0.012 0.000 1.148 228 T CB -0.370 68.489 68.868 -0.016 0.000 0.863 228 T HN 0.417 nan 8.240 nan 0.000 0.436 229 S N 1.342 116.992 115.700 -0.083 0.000 2.353 229 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 229 S C 1.942 176.483 174.600 -0.099 0.000 1.035 229 S CA 0.975 59.118 58.200 -0.095 0.000 1.025 229 S CB -0.644 62.475 63.200 -0.135 0.000 0.902 229 S HN 0.287 nan 8.310 nan 0.000 0.440 230 L N 2.264 123.398 121.223 -0.148 0.000 1.971 230 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 230 L C 2.063 178.902 176.870 -0.051 0.000 1.072 230 L CA 1.754 56.520 54.840 -0.123 0.000 0.758 230 L CB -0.938 41.018 42.059 -0.171 0.000 0.889 230 L HN 0.306 nan 8.230 nan 0.000 0.433 231 L N -0.737 120.466 121.223 -0.033 0.000 2.012 231 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 231 L C 2.399 179.248 176.870 -0.035 0.000 1.073 231 L CA 1.662 56.487 54.840 -0.024 0.000 0.748 231 L CB -1.077 40.985 42.059 0.005 0.000 0.891 231 L HN 0.353 nan 8.230 nan 0.000 0.431 232 D N 0.093 120.475 120.400 -0.031 0.000 2.149 232 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 232 D C 2.153 178.436 176.300 -0.029 0.000 0.990 232 D CA 1.580 55.561 54.000 -0.031 0.000 0.839 232 D CB 0.127 40.910 40.800 -0.028 0.000 0.948 232 D HN 0.356 nan 8.370 nan 0.000 0.460 233 A N 0.678 123.481 122.820 -0.028 0.000 1.855 233 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 233 A C 2.463 180.039 177.584 -0.014 0.000 1.191 233 A CA 0.757 52.784 52.037 -0.016 0.000 0.613 233 A CB -0.809 18.187 19.000 -0.007 0.000 0.829 233 A HN 0.190 nan 8.150 nan 0.000 0.442 234 L N -0.202 121.010 121.223 -0.019 0.000 2.042 234 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 234 L C 2.343 179.188 176.870 -0.041 0.000 1.076 234 L CA 1.700 56.522 54.840 -0.029 0.000 0.749 234 L CB -0.868 41.168 42.059 -0.039 0.000 0.893 234 L HN 0.513 nan 8.230 nan 0.000 0.432 235 N N -0.091 118.581 118.700 -0.047 0.000 2.132 235 N HA -0.242 4.498 4.740 -0.000 0.000 0.191 235 N C 1.393 176.884 175.510 -0.031 0.000 1.015 235 N CA 1.291 54.312 53.050 -0.049 0.000 0.864 235 N CB -0.063 38.393 38.487 -0.051 0.000 1.006 235 N HN 0.448 nan 8.380 nan 0.000 0.430 236 E N -0.229 119.957 120.200 -0.023 0.000 2.511 236 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 236 E C 0.862 177.456 176.600 -0.010 0.000 1.066 236 E CA 0.415 56.806 56.400 -0.015 0.000 0.871 236 E CB 0.228 29.919 29.700 -0.014 0.000 0.863 236 E HN 0.483 nan 8.360 nan 0.000 0.520 237 M N -1.159 118.433 119.600 -0.013 0.000 2.347 237 M HA 0.290 4.770 4.480 -0.000 0.000 0.302 237 M C 1.832 178.144 176.300 0.020 0.000 1.051 237 M CA -0.152 55.140 55.300 -0.014 0.000 0.988 237 M CB 0.738 33.312 32.600 -0.044 0.000 1.475 237 M HN 0.019 nan 8.290 nan 0.000 0.530 238 A N 1.479 124.309 122.820 0.016 0.000 1.940 238 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 238 A C 1.642 179.264 177.584 0.063 0.000 1.190 238 A CA 2.255 54.306 52.037 0.024 0.000 0.647 238 A CB -0.674 18.336 19.000 0.015 0.000 0.821 238 A HN 0.497 nan 8.150 nan 0.000 0.457 239 D N -1.581 118.898 120.400 0.131 0.000 2.384 239 D HA -0.091 4.549 4.640 -0.000 0.000 0.222 239 D C 0.549 176.813 176.300 -0.060 0.000 0.976 239 D CA 1.323 55.374 54.000 0.087 0.000 0.915 239 D CB -0.176 40.725 40.800 0.168 0.000 0.896 239 D HN 0.763 nan 8.370 nan 0.000 0.523 240 H N -1.341 117.681 119.070 -0.080 0.000 3.398 240 H HA 0.414 4.969 4.556 -0.000 0.000 0.260 240 H C -0.067 175.126 175.328 -0.226 0.000 1.189 240 H CA -0.180 55.791 56.048 -0.130 0.000 1.145 240 H CB 1.272 30.976 29.762 -0.096 0.000 1.599 240 H HN -0.041 nan 8.280 nan 0.000 0.615 241 I N 0.454 120.997 120.570 -0.044 0.000 2.627 241 I HA 0.100 4.270 4.170 -0.000 0.000 0.288 241 I C -1.515 174.627 176.117 0.042 0.000 1.202 241 I CA -1.036 60.242 61.300 -0.037 0.000 1.050 241 I CB 2.353 40.274 38.000 -0.133 0.000 1.264 241 I HN 0.009 nan 8.210 nan 0.000 0.429 242 Y N 9.210 129.513 120.300 0.005 0.000 2.477 242 Y HA 0.450 5.000 4.550 -0.000 0.000 0.349 242 Y C -2.298 173.595 175.900 -0.012 0.000 0.977 242 Y CA -1.636 56.459 58.100 -0.009 0.000 1.214 242 Y CB 1.043 39.479 38.460 -0.040 0.000 1.124 242 Y HN 0.298 nan 8.280 nan 0.000 0.521 243 P HA 0.247 nan 4.420 nan 0.000 0.283 243 P C -1.225 176.003 177.300 -0.120 0.000 1.271 243 P CA -0.690 62.368 63.100 -0.070 0.000 0.841 243 P CB 2.121 33.763 31.700 -0.096 0.000 1.122 244 S N 0.414 116.037 115.700 -0.129 0.000 2.789 244 S HA 0.420 4.890 4.470 -0.000 0.000 0.286 244 S C -0.899 173.411 174.600 -0.484 0.000 1.153 244 S CA -0.499 57.527 58.200 -0.290 0.000 1.084 244 S CB 0.141 63.200 63.200 -0.235 0.000 1.036 244 S HN 0.174 nan 8.310 nan 0.000 0.484 245 V N 5.654 125.302 119.914 -0.444 0.000 2.459 245 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 245 V C -1.101 174.768 176.094 -0.374 0.000 1.029 245 V CA -0.561 61.551 62.300 -0.313 0.000 0.874 245 V CB 1.268 33.054 31.823 -0.061 0.000 0.985 245 V HN 0.789 nan 8.190 nan 0.000 0.438 246 F N 3.880 123.925 119.950 0.159 0.000 2.375 246 F HA 0.575 5.102 4.527 -0.000 0.000 0.361 246 F C 0.045 175.942 175.800 0.162 0.000 1.117 246 F CA -0.854 57.226 58.000 0.133 0.000 1.037 246 F CB 1.602 40.670 39.000 0.114 0.000 1.192 246 F HN 0.128 nan 8.300 nan 0.000 0.452 247 V N 3.120 123.235 119.914 0.336 0.000 2.370 247 V HA 0.925 5.045 4.120 -0.000 0.000 0.283 247 V C 0.260 176.603 176.094 0.415 0.000 1.023 247 V CA -0.383 62.131 62.300 0.357 0.000 0.857 247 V CB 1.069 33.116 31.823 0.374 0.000 0.985 247 V HN 0.943 nan 8.190 nan 0.000 0.443 248 G N 3.072 112.128 108.800 0.426 0.000 2.682 248 G HA2 0.757 4.717 3.960 -0.000 0.000 0.303 248 G HA3 0.757 4.717 3.960 -0.000 0.000 0.303 248 G C -1.312 173.825 174.900 0.395 0.000 1.341 248 G CA -0.073 45.307 45.100 0.468 0.000 0.784 248 G HN 1.119 nan 8.290 nan 0.000 0.497 249 V N -1.156 118.958 119.914 0.334 0.000 2.789 249 V HA 0.764 4.884 4.120 -0.000 0.000 0.311 249 V C -0.460 175.720 176.094 0.143 0.000 1.073 249 V CA -0.691 61.727 62.300 0.196 0.000 0.921 249 V CB 1.562 33.487 31.823 0.170 0.000 1.009 249 V HN 1.012 nan 8.190 nan 0.000 0.426 250 D N 1.350 121.809 120.400 0.100 0.000 2.440 250 D HA 0.160 4.800 4.640 -0.000 0.000 0.269 250 D C 1.073 177.415 176.300 0.070 0.000 1.249 250 D CA 0.307 54.352 54.000 0.074 0.000 1.055 250 D CB 0.654 41.488 40.800 0.056 0.000 1.104 250 D HN 0.798 nan 8.370 nan 0.000 0.561 251 E N -0.795 119.438 120.200 0.055 0.000 2.070 251 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 251 E C 0.685 177.314 176.600 0.049 0.000 1.004 251 E CA 1.277 57.709 56.400 0.052 0.000 0.805 251 E CB -0.117 29.607 29.700 0.040 0.000 0.744 251 E HN 0.397 nan 8.360 nan 0.000 0.451 252 N N 1.166 119.891 118.700 0.042 0.000 2.416 252 N HA -0.011 4.729 4.740 -0.000 0.000 0.215 252 N C -0.380 175.152 175.510 0.037 0.000 1.208 252 N CA 0.238 53.309 53.050 0.036 0.000 0.834 252 N CB 0.419 38.923 38.487 0.030 0.000 1.072 252 N HN 0.118 nan 8.380 nan 0.000 0.472 253 R N -0.949 119.579 120.500 0.046 0.000 3.641 253 R HA -0.182 4.158 4.340 -0.000 0.000 0.286 253 R C -0.420 175.900 176.300 0.034 0.000 1.153 253 R CA 0.599 56.725 56.100 0.043 0.000 0.775 253 R CB -2.522 27.796 30.300 0.030 0.000 1.215 253 R HN 0.385 nan 8.270 nan 0.000 0.474 254 A N 0.931 123.776 122.820 0.043 0.000 2.271 254 A HA 0.639 4.959 4.320 -0.000 0.000 0.317 254 A C -2.120 175.497 177.584 0.056 0.000 1.245 254 A CA -1.622 50.439 52.037 0.040 0.000 0.857 254 A CB 0.981 20.006 19.000 0.041 0.000 1.175 254 A HN -0.145 nan 8.150 nan 0.000 0.512 255 P HA 0.116 nan 4.420 nan 0.000 0.265 255 P C -0.170 177.193 177.300 0.105 0.000 1.187 255 P CA 0.472 63.609 63.100 0.062 0.000 0.766 255 P CB 0.692 32.401 31.700 0.016 0.000 0.820 256 S N 1.375 117.165 115.700 0.149 0.000 2.571 256 S HA 0.617 5.087 4.470 -0.000 0.000 0.284 256 S C -1.078 173.662 174.600 0.233 0.000 1.128 256 S CA -0.714 57.592 58.200 0.176 0.000 0.970 256 S CB 0.963 64.249 63.200 0.144 0.000 1.039 256 S HN 0.091 nan 8.310 nan 0.000 0.485 257 V N 2.980 123.070 119.914 0.293 0.000 2.540 257 V HA 0.746 4.866 4.120 -0.000 0.000 0.302 257 V C -0.324 176.035 176.094 0.443 0.000 1.035 257 V CA -0.290 62.229 62.300 0.365 0.000 0.873 257 V CB 1.959 33.996 31.823 0.357 0.000 0.992 257 V HN 1.079 nan 8.190 nan 0.000 0.428 258 T N 3.641 118.446 114.554 0.419 0.000 2.912 258 T HA 0.593 4.943 4.350 -0.000 0.000 0.299 258 T C -1.144 173.792 174.700 0.393 0.000 1.052 258 T CA -0.419 61.921 62.100 0.400 0.000 0.996 258 T CB 2.065 71.185 68.868 0.420 0.000 1.070 258 T HN 0.488 nan 8.240 nan 0.000 0.465 259 V N 1.954 122.068 119.914 0.333 0.000 2.680 259 V HA 0.694 4.814 4.120 -0.000 0.000 0.309 259 V C -0.767 175.442 176.094 0.192 0.000 1.052 259 V CA -0.672 61.754 62.300 0.209 0.000 0.908 259 V CB 1.553 33.521 31.823 0.242 0.000 1.001 259 V HN 1.126 nan 8.190 nan 0.000 0.431 260 C N 6.999 126.339 119.300 0.067 0.000 2.281 260 C HA 0.816 5.276 4.460 -0.000 0.000 0.325 260 C C -0.482 174.460 174.990 -0.080 0.000 1.282 260 C CA -0.283 58.662 59.018 -0.121 0.000 1.640 260 C CB 0.062 27.805 27.740 0.005 0.000 2.288 260 C HN 0.757 nan 8.230 nan 0.000 0.507 261 V N 5.586 125.406 119.914 -0.157 0.000 2.448 261 V HA 0.743 4.863 4.120 -0.000 0.000 0.295 261 V C 0.649 176.680 176.094 -0.105 0.000 1.025 261 V CA -0.147 62.121 62.300 -0.052 0.000 0.859 261 V CB 1.678 33.489 31.823 -0.020 0.000 0.988 261 V HN 1.063 nan 8.190 nan 0.000 0.431 262 G N 2.242 111.019 108.800 -0.038 0.000 3.114 262 G HA2 0.351 4.311 3.960 -0.000 0.000 0.320 262 G HA3 0.351 4.311 3.960 -0.000 0.000 0.320 262 G C -0.674 174.220 174.900 -0.011 0.000 1.453 262 G CA -0.340 44.638 45.100 -0.203 0.000 1.084 262 G HN 0.654 nan 8.290 nan 0.000 0.516 263 H N 3.003 122.054 119.070 -0.032 0.000 2.690 263 H HA 0.232 4.788 4.556 -0.000 0.000 0.314 263 H C 0.797 176.150 175.328 0.043 0.000 1.069 263 H CA -0.200 55.865 56.048 0.029 0.000 1.436 263 H CB 1.716 31.488 29.762 0.016 0.000 1.462 263 H HN 0.333 nan 8.280 nan 0.000 0.511 264 L N 3.648 125.067 121.223 0.326 0.000 2.513 264 L HA 0.188 4.528 4.340 -0.000 0.000 0.222 264 L C 1.632 178.682 176.870 0.301 0.000 1.096 264 L CA 0.243 55.216 54.840 0.221 0.000 0.857 264 L CB 0.163 42.243 42.059 0.035 0.000 1.026 264 L HN 0.550 nan 8.230 nan 0.000 0.469 265 G N -0.330 108.839 108.800 0.616 0.000 2.588 265 G HA2 0.362 4.322 3.960 -0.000 0.000 0.278 265 G HA3 0.362 4.322 3.960 -0.000 0.000 0.278 265 G C 0.069 175.028 174.900 0.099 0.000 1.307 265 G CA -0.031 45.323 45.100 0.423 0.000 1.016 265 G HN 0.159 nan 8.290 nan 0.000 0.503 266 G N -1.243 107.587 108.800 0.049 0.000 2.403 266 G HA2 0.347 4.307 3.960 -0.000 0.000 0.259 266 G HA3 0.347 4.307 3.960 -0.000 0.000 0.259 266 G C 1.262 176.111 174.900 -0.084 0.000 1.244 266 G CA -0.600 44.494 45.100 -0.010 0.000 0.849 266 G HN 0.530 nan 8.290 nan 0.000 0.532 267 L N 1.489 122.664 121.223 -0.080 0.000 2.085 267 L HA -0.257 4.083 4.340 -0.000 0.000 0.218 267 L C 2.858 179.664 176.870 -0.108 0.000 1.080 267 L CA 2.078 56.855 54.840 -0.106 0.000 0.776 267 L CB -0.515 41.506 42.059 -0.063 0.000 0.891 267 L HN 0.781 nan 8.230 nan 0.000 0.437 268 D N 0.482 120.838 120.400 -0.073 0.000 2.203 268 D HA -0.259 4.381 4.640 -0.000 0.000 0.199 268 D C 1.935 178.184 176.300 -0.085 0.000 0.997 268 D CA 1.830 55.792 54.000 -0.062 0.000 0.863 268 D CB -0.238 40.538 40.800 -0.040 0.000 0.928 268 D HN 0.501 nan 8.370 nan 0.000 0.458 269 I N 0.379 120.875 120.570 -0.122 0.000 3.081 269 I HA 0.025 4.195 4.170 -0.000 0.000 0.274 269 I C 2.765 178.728 176.117 -0.257 0.000 1.178 269 I CA 0.471 61.681 61.300 -0.150 0.000 1.460 269 I CB -0.047 37.861 38.000 -0.155 0.000 1.137 269 I HN -0.008 nan 8.210 nan 0.000 0.443 270 A N 1.068 123.630 122.820 -0.430 0.000 1.865 270 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 270 A C 2.174 179.600 177.584 -0.263 0.000 1.191 270 A CA 1.554 53.182 52.037 -0.682 0.000 0.623 270 A CB -0.507 18.152 19.000 -0.568 0.000 0.826 270 A HN 0.313 nan 8.150 nan 0.000 0.444 271 E N -0.465 119.637 120.200 -0.162 0.000 2.065 271 E HA -0.266 4.084 4.350 -0.000 0.000 0.201 271 E C 2.206 178.775 176.600 -0.052 0.000 1.016 271 E CA 1.569 57.921 56.400 -0.081 0.000 0.818 271 E CB -0.450 29.214 29.700 -0.061 0.000 0.749 271 E HN 0.664 nan 8.360 nan 0.000 0.453 272 R N 0.803 121.268 120.500 -0.059 0.000 2.082 272 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 272 R C 1.875 178.173 176.300 -0.005 0.000 1.136 272 R CA 2.102 58.184 56.100 -0.030 0.000 0.935 272 R CB -0.176 30.102 30.300 -0.037 0.000 0.842 272 R HN 0.024 nan 8.270 nan 0.000 0.430 273 D N 0.339 120.740 120.400 0.001 0.000 2.116 273 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 273 D C 1.851 178.201 176.300 0.084 0.000 0.998 273 D CA 1.221 55.263 54.000 0.070 0.000 0.836 273 D CB -0.115 40.807 40.800 0.204 0.000 0.951 273 D HN 0.200 nan 8.370 nan 0.000 0.449 274 I N 0.882 121.492 120.570 0.068 0.000 2.179 274 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 274 I C 2.395 178.552 176.117 0.066 0.000 1.088 274 I CA 0.904 62.248 61.300 0.073 0.000 1.357 274 I CB -1.349 36.675 38.000 0.040 0.000 1.051 274 I HN -0.070 nan 8.210 nan 0.000 0.409 275 A N 0.950 123.795 122.820 0.042 0.000 1.849 275 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 275 A C 2.524 180.147 177.584 0.065 0.000 1.202 275 A CA 2.406 54.469 52.037 0.044 0.000 0.629 275 A CB -0.939 18.076 19.000 0.025 0.000 0.834 275 A HN 0.392 nan 8.150 nan 0.000 0.447 276 R N -0.315 120.218 120.500 0.055 0.000 2.134 276 R HA -0.213 4.127 4.340 -0.000 0.000 0.248 276 R C 1.987 178.343 176.300 0.092 0.000 1.143 276 R CA 2.196 58.331 56.100 0.059 0.000 0.957 276 R CB -0.585 29.741 30.300 0.042 0.000 0.867 276 R HN 0.551 nan 8.270 nan 0.000 0.441 277 L N -0.270 121.031 121.223 0.130 0.000 2.056 277 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 277 L C 2.648 179.713 176.870 0.326 0.000 1.078 277 L CA 1.409 56.382 54.840 0.222 0.000 0.749 277 L CB -0.376 41.833 42.059 0.249 0.000 0.901 277 L HN 0.180 nan 8.230 nan 0.000 0.433 278 R N -0.021 120.612 120.500 0.222 0.000 2.293 278 R HA -0.082 4.258 4.340 -0.000 0.000 0.219 278 R C 2.108 178.532 176.300 0.206 0.000 1.091 278 R CA 0.901 57.124 56.100 0.205 0.000 1.004 278 R CB -0.334 30.029 30.300 0.104 0.000 0.865 278 R HN 0.433 nan 8.270 nan 0.000 0.469 279 G N -0.106 108.793 108.800 0.164 0.000 2.719 279 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.211 279 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.211 279 G C 1.292 176.256 174.900 0.106 0.000 1.140 279 G CA -0.307 44.863 45.100 0.117 0.000 0.790 279 G HN 0.097 nan 8.290 nan 0.000 0.529 280 L N 0.268 121.553 121.223 0.104 0.000 2.151 280 L HA -0.017 4.323 4.340 -0.000 0.000 0.215 280 L C 1.495 178.319 176.870 -0.077 0.000 1.084 280 L CA 1.410 56.221 54.840 -0.048 0.000 0.764 280 L CB -0.634 41.287 42.059 -0.231 0.000 0.891 280 L HN 0.417 nan 8.230 nan 0.000 0.435 281 G N -1.897 106.973 108.800 0.116 0.000 2.313 281 G HA2 0.183 4.143 3.960 -0.000 0.000 0.296 281 G HA3 0.183 4.143 3.960 -0.000 0.000 0.296 281 G C -1.530 173.588 174.900 0.362 0.000 1.356 281 G CA -0.896 44.284 45.100 0.133 0.000 0.833 281 G HN -0.163 nan 8.290 nan 0.000 0.552 282 R N 0.940 121.602 120.500 0.269 0.000 2.446 282 R HA 0.395 4.735 4.340 -0.000 0.000 0.314 282 R C 1.210 177.707 176.300 0.327 0.000 1.003 282 R CA 0.506 56.749 56.100 0.240 0.000 1.018 282 R CB -0.444 29.945 30.300 0.149 0.000 0.945 282 R HN 0.969 nan 8.270 nan 0.000 0.419 283 T N -0.171 114.464 114.554 0.134 0.000 2.865 283 T HA 0.429 4.779 4.350 -0.000 0.000 0.302 283 T C 0.863 175.515 174.700 -0.081 0.000 1.078 283 T CA -0.251 61.750 62.100 -0.164 0.000 0.942 283 T CB 0.860 69.548 68.868 -0.300 0.000 1.387 283 T HN 0.206 nan 8.240 nan 0.000 0.557 284 V N -0.323 119.503 119.914 -0.147 0.000 4.478 284 V HA 0.313 4.433 4.120 -0.000 0.000 0.161 284 V C 0.680 176.725 176.094 -0.082 0.000 1.207 284 V CA 0.313 62.571 62.300 -0.069 0.000 1.271 284 V CB 0.152 31.948 31.823 -0.044 0.000 1.593 284 V HN 1.105 nan 8.190 nan 0.000 0.573 285 S N 1.295 116.933 115.700 -0.103 0.000 2.541 285 S HA 0.659 5.129 4.470 -0.000 0.000 0.283 285 S C -1.015 173.519 174.600 -0.110 0.000 1.196 285 S CA -0.292 57.860 58.200 -0.079 0.000 1.062 285 S CB 1.746 64.911 63.200 -0.058 0.000 1.009 285 S HN 0.550 nan 8.310 nan 0.000 0.502 286 D N 0.971 121.333 120.400 -0.064 0.000 2.613 286 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 286 D C -0.172 176.125 176.300 -0.005 0.000 1.365 286 D CA -0.456 53.510 54.000 -0.058 0.000 0.976 286 D CB 1.553 42.306 40.800 -0.077 0.000 1.415 286 D HN 0.537 nan 8.370 nan 0.000 0.589 287 S N 3.069 118.792 115.700 0.038 0.000 2.593 287 S HA 0.230 4.700 4.470 -0.000 0.000 0.236 287 S C 1.050 175.669 174.600 0.033 0.000 0.991 287 S CA -0.545 57.688 58.200 0.055 0.000 0.963 287 S CB -0.035 63.238 63.200 0.122 0.000 0.865 287 S HN 0.422 nan 8.310 nan 0.000 0.488 288 I N 3.254 123.828 120.570 0.008 0.000 2.845 288 I HA 0.380 4.550 4.170 -0.000 0.000 0.296 288 I C 0.740 176.850 176.117 -0.011 0.000 1.216 288 I CA 0.470 61.763 61.300 -0.012 0.000 1.438 288 I CB -0.512 37.482 38.000 -0.010 0.000 1.342 288 I HN 0.529 nan 8.210 nan 0.000 0.577 289 A N 5.793 128.600 122.820 -0.022 0.000 2.586 289 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 289 A C -1.080 176.488 177.584 -0.026 0.000 1.062 289 A CA -0.669 51.356 52.037 -0.019 0.000 0.666 289 A CB 0.916 19.910 19.000 -0.011 0.000 1.281 289 A HN 0.282 nan 8.150 nan 0.000 0.421 290 V N 1.402 121.304 119.914 -0.021 0.000 2.370 290 V HA 0.455 4.575 4.120 -0.000 0.000 0.257 290 V C 0.374 176.455 176.094 -0.021 0.000 1.064 290 V CA 0.066 62.354 62.300 -0.021 0.000 0.975 290 V CB -0.793 31.021 31.823 -0.016 0.000 1.067 290 V HN 0.764 nan 8.190 nan 0.000 0.485 291 R N 2.757 123.239 120.500 -0.030 0.000 2.892 291 R HA 0.697 5.037 4.340 -0.000 0.000 0.265 291 R C 0.080 176.367 176.300 -0.022 0.000 1.025 291 R CA -0.583 55.497 56.100 -0.034 0.000 0.982 291 R CB 2.046 32.309 30.300 -0.060 0.000 1.185 291 R HN 0.736 nan 8.270 nan 0.000 0.484 292 S N -0.121 115.573 115.700 -0.011 0.000 2.652 292 S HA 0.043 4.513 4.470 -0.000 0.000 0.270 292 S C 0.851 175.470 174.600 0.032 0.000 1.243 292 S CA -0.632 57.583 58.200 0.026 0.000 0.999 292 S CB 0.626 63.845 63.200 0.033 0.000 0.973 292 S HN 0.731 nan 8.310 nan 0.000 0.544 293 Y N 2.019 122.297 120.300 -0.037 0.000 2.081 293 Y HA -0.248 4.302 4.550 -0.000 0.000 0.280 293 Y C 2.211 178.090 175.900 -0.036 0.000 1.163 293 Y CA 2.693 60.764 58.100 -0.048 0.000 1.135 293 Y CB -0.696 37.761 38.460 -0.004 0.000 0.970 293 Y HN 0.883 nan 8.280 nan 0.000 0.498 294 D N -0.515 119.858 120.400 -0.045 0.000 2.178 294 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 294 D C 1.558 177.770 176.300 -0.147 0.000 0.980 294 D CA 1.703 55.625 54.000 -0.130 0.000 0.842 294 D CB -0.606 40.204 40.800 0.017 0.000 0.948 294 D HN 0.609 nan 8.370 nan 0.000 0.472 295 E N 0.605 120.744 120.200 -0.101 0.000 2.077 295 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 295 E C 2.529 179.052 176.600 -0.128 0.000 0.989 295 E CA 0.727 57.078 56.400 -0.082 0.000 0.800 295 E CB 0.035 29.704 29.700 -0.051 0.000 0.746 295 E HN 0.145 nan 8.360 nan 0.000 0.452 296 V N 1.152 120.935 119.914 -0.219 0.000 2.255 296 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 296 V C 2.396 178.357 176.094 -0.222 0.000 1.051 296 V CA 1.619 63.738 62.300 -0.300 0.000 1.018 296 V CB -0.525 30.974 31.823 -0.539 0.000 0.641 296 V HN 0.134 nan 8.190 nan 0.000 0.445 297 V N 0.298 120.046 119.914 -0.275 0.000 2.287 297 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 297 V C 2.725 178.771 176.094 -0.080 0.000 1.053 297 V CA 2.086 64.316 62.300 -0.117 0.000 1.027 297 V CB -1.289 30.416 31.823 -0.197 0.000 0.646 297 V HN 0.575 nan 8.190 nan 0.000 0.447 298 A N 0.000 122.771 122.820 -0.082 0.000 2.024 298 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 298 A C 2.198 179.770 177.584 -0.019 0.000 1.164 298 A CA 2.240 54.259 52.037 -0.029 0.000 0.643 298 A CB -0.586 18.409 19.000 -0.008 0.000 0.806 298 A HN 0.599 nan 8.150 nan 0.000 0.451 299 L N -0.309 120.899 121.223 -0.024 0.000 2.072 299 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 299 L C 1.876 178.742 176.870 -0.007 0.000 1.079 299 L CA 2.486 57.332 54.840 0.010 0.000 0.752 299 L CB -0.595 41.486 42.059 0.037 0.000 0.906 299 L HN 0.329 nan 8.230 nan 0.000 0.436 300 N N 0.110 118.804 118.700 -0.010 0.000 2.272 300 N HA -0.175 4.565 4.740 -0.000 0.000 0.185 300 N C 1.776 177.079 175.510 -0.346 0.000 1.014 300 N CA 1.390 54.415 53.050 -0.041 0.000 0.870 300 N CB -0.190 38.293 38.487 -0.005 0.000 0.975 300 N HN 0.605 nan 8.380 nan 0.000 0.433 301 A N 0.350 122.873 122.820 -0.495 0.000 1.898 301 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 301 A C 1.821 178.625 177.584 -1.301 0.000 1.181 301 A CA 1.215 52.781 52.037 -0.784 0.000 0.620 301 A CB -0.561 18.255 19.000 -0.307 0.000 0.819 301 A HN 0.442 nan 8.150 nan 0.000 0.442 302 E N -0.403 119.298 120.200 -0.832 0.000 1.927 302 E HA -0.230 4.120 4.350 -0.000 0.000 0.221 302 E C 1.834 178.127 176.600 -0.511 0.000 0.965 302 E CA 2.129 58.182 56.400 -0.578 0.000 0.881 302 E CB -0.575 29.078 29.700 -0.079 0.000 0.810 302 E HN 0.639 nan 8.360 nan 0.000 0.569 303 V N -0.620 119.137 119.914 -0.262 0.000 3.383 303 V HA 0.045 4.165 4.120 -0.000 0.000 0.272 303 V C 1.273 177.212 176.094 -0.258 0.000 1.181 303 V CA 1.303 63.463 62.300 -0.234 0.000 1.171 303 V CB -1.002 30.649 31.823 -0.287 0.000 0.800 303 V HN 0.369 nan 8.190 nan 0.000 0.515 304 G N 0.324 108.941 108.800 -0.305 0.000 3.353 304 G HA2 0.258 4.218 3.960 -0.000 0.000 0.247 304 G HA3 0.258 4.218 3.960 -0.000 0.000 0.247 304 G C 0.464 175.309 174.900 -0.091 0.000 1.025 304 G CA 0.402 45.397 45.100 -0.176 0.000 1.863 304 G HN 0.626 nan 8.290 nan 0.000 0.635 305 S N -0.487 115.165 115.700 -0.079 0.000 3.509 305 S HA -0.208 4.262 4.470 -0.000 0.000 0.314 305 S C 0.908 175.606 174.600 0.164 0.000 0.844 305 S CA 0.024 58.247 58.200 0.038 0.000 1.361 305 S CB -0.843 62.402 63.200 0.075 0.000 1.359 305 S HN 0.414 nan 8.310 nan 0.000 0.501 306 F N 1.045 121.065 119.950 0.117 0.000 2.502 306 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 306 F C 1.569 177.432 175.800 0.104 0.000 1.111 306 F CA 0.641 58.720 58.000 0.132 0.000 1.445 306 F CB -0.101 38.950 39.000 0.085 0.000 1.081 306 F HN 0.533 nan 8.300 nan 0.000 0.558 307 E N 1.249 121.591 120.200 0.238 0.000 2.422 307 E HA 0.112 4.462 4.350 -0.000 0.000 0.260 307 E C -0.518 176.114 176.600 0.054 0.000 1.108 307 E CA 0.043 56.507 56.400 0.107 0.000 0.943 307 E CB 0.399 30.124 29.700 0.041 0.000 0.961 307 E HN 0.357 nan 8.360 nan 0.000 0.443 308 D N 0.462 120.845 120.400 -0.029 0.000 2.687 308 D HA 0.616 5.256 4.640 -0.000 0.000 0.264 308 D C 0.615 176.795 176.300 -0.200 0.000 1.091 308 D CA -0.437 53.482 54.000 -0.136 0.000 1.123 308 D CB 0.590 41.345 40.800 -0.075 0.000 1.407 308 D HN 0.564 nan 8.370 nan 0.000 0.591 309 G N -1.542 107.094 108.800 -0.273 0.000 2.267 309 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 309 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 309 G C 0.410 175.123 174.900 -0.312 0.000 0.998 309 G CA 0.556 45.510 45.100 -0.243 0.000 0.620 309 G HN 0.441 nan 8.290 nan 0.000 0.529 310 M N 0.883 120.247 119.600 -0.393 0.000 2.198 310 M HA 0.365 4.845 4.480 -0.000 0.000 0.292 310 M C 0.475 176.401 176.300 -0.623 0.000 1.150 310 M CA 0.914 55.941 55.300 -0.455 0.000 1.168 310 M CB 0.429 32.761 32.600 -0.447 0.000 1.388 310 M HN 0.210 nan 8.290 nan 0.000 0.447 311 S N 1.979 117.219 115.700 -0.767 0.000 2.756 311 S HA 0.432 4.902 4.470 -0.000 0.000 0.303 311 S C -0.387 173.419 174.600 -1.323 0.000 1.135 311 S CA -1.011 56.610 58.200 -0.964 0.000 1.066 311 S CB 0.893 63.572 63.200 -0.869 0.000 1.008 311 S HN 0.526 nan 8.310 nan 0.000 0.482 312 N N 1.832 119.975 118.700 -0.929 0.000 2.476 312 N HA 0.619 5.359 4.740 -0.000 0.000 0.275 312 N C -1.133 173.976 175.510 -0.668 0.000 1.190 312 N CA -0.674 51.927 53.050 -0.749 0.000 0.977 312 N CB 1.463 39.614 38.487 -0.560 0.000 1.200 312 N HN 0.422 nan 8.380 nan 0.000 0.515 313 L N 0.830 121.842 121.223 -0.352 0.000 2.596 313 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 313 L C -2.171 174.826 176.870 0.211 0.000 0.962 313 L CA -0.543 54.269 54.840 -0.047 0.000 0.891 313 L CB 0.880 43.103 42.059 0.273 0.000 1.248 313 L HN 0.480 nan 8.230 nan 0.000 0.410 314 W N 6.164 127.511 121.300 0.078 0.000 2.632 314 W HA 0.701 5.360 4.660 -0.000 0.000 0.328 314 W C -0.642 175.924 176.519 0.079 0.000 1.044 314 W CA -1.222 56.170 57.345 0.078 0.000 1.225 314 W CB 1.795 31.298 29.460 0.070 0.000 1.396 314 W HN 0.351 nan 8.180 nan 0.000 0.499 315 I N 2.439 123.194 120.570 0.309 0.000 2.478 315 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 315 I C -0.959 175.280 176.117 0.204 0.000 1.042 315 I CA -0.488 60.954 61.300 0.237 0.000 1.067 315 I CB 2.083 40.214 38.000 0.217 0.000 1.233 315 I HN 0.219 nan 8.210 nan 0.000 0.431 316 D N 6.319 126.845 120.400 0.211 0.000 2.391 316 D HA 0.583 5.223 4.640 -0.000 0.000 0.245 316 D C -0.659 175.749 176.300 0.181 0.000 1.069 316 D CA -0.235 53.859 54.000 0.157 0.000 0.831 316 D CB 1.316 42.180 40.800 0.106 0.000 1.204 316 D HN 0.391 nan 8.370 nan 0.000 0.503 317 R N 1.899 122.457 120.500 0.095 0.000 2.869 317 R HA 0.575 4.915 4.340 -0.000 0.000 0.263 317 R C -0.589 175.701 176.300 -0.017 0.000 1.066 317 R CA -0.951 55.167 56.100 0.029 0.000 0.960 317 R CB 1.688 31.989 30.300 0.002 0.000 1.221 317 R HN 0.399 nan 8.270 nan 0.000 0.474 318 E N 0.674 120.837 120.200 -0.062 0.000 2.277 318 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 318 E C -0.387 176.128 176.600 -0.141 0.000 0.901 318 E CA -0.789 55.546 56.400 -0.108 0.000 0.782 318 E CB 2.176 31.807 29.700 -0.116 0.000 1.228 318 E HN 0.289 nan 8.360 nan 0.000 0.424 319 I N 1.275 121.704 120.570 -0.236 0.000 2.872 319 I HA -0.061 4.109 4.170 -0.000 0.000 0.291 319 I C 0.787 176.794 176.117 -0.183 0.000 1.216 319 I CA 0.662 61.775 61.300 -0.312 0.000 1.424 319 I CB 0.516 38.187 38.000 -0.548 0.000 1.351 319 I HN 0.668 nan 8.210 nan 0.000 0.592 320 A N 7.055 129.803 122.820 -0.119 0.000 2.603 320 A HA 0.558 4.878 4.320 -0.000 0.000 0.277 320 A C 0.212 177.769 177.584 -0.045 0.000 1.158 320 A CA -0.173 51.820 52.037 -0.073 0.000 0.962 320 A CB 0.307 19.279 19.000 -0.048 0.000 1.189 320 A HN 0.737 nan 8.150 nan 0.000 0.552 321 M N -0.993 118.582 119.600 -0.043 0.000 2.813 321 M HA 0.395 4.875 4.480 -0.000 0.000 0.270 321 M C -2.844 173.449 176.300 -0.012 0.000 1.267 321 M CA -1.875 53.420 55.300 -0.008 0.000 0.822 321 M CB 1.472 34.094 32.600 0.038 0.000 1.671 321 M HN -0.183 nan 8.290 nan 0.000 0.468 322 P HA 0.097 nan 4.420 nan 0.000 0.268 322 P C -0.257 177.071 177.300 0.047 0.000 1.208 322 P CA 0.021 63.125 63.100 0.006 0.000 0.777 322 P CB 0.412 32.117 31.700 0.008 0.000 0.875 323 N N 1.796 120.515 118.700 0.032 0.000 2.005 323 N HA -0.253 4.486 4.740 -0.000 0.000 0.199 323 N C 1.745 177.352 175.510 0.161 0.000 1.054 323 N CA 2.123 55.231 53.050 0.098 0.000 0.864 323 N CB -1.337 37.178 38.487 0.046 0.000 1.063 323 N HN 0.460 nan 8.380 nan 0.000 0.428 324 A N 1.449 124.315 122.820 0.077 0.000 1.881 324 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 324 A C 2.307 179.923 177.584 0.052 0.000 1.215 324 A CA 2.599 54.664 52.037 0.047 0.000 0.648 324 A CB -0.891 18.118 19.000 0.015 0.000 0.832 324 A HN 0.374 nan 8.150 nan 0.000 0.455 325 R N -1.144 119.392 120.500 0.059 0.000 2.133 325 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 325 R C 1.803 178.154 176.300 0.084 0.000 1.151 325 R CA 2.277 58.409 56.100 0.053 0.000 0.971 325 R CB -0.809 29.523 30.300 0.052 0.000 0.866 325 R HN 0.588 nan 8.270 nan 0.000 0.447 326 F N 0.340 120.280 119.950 -0.017 0.000 2.128 326 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 326 F C 2.035 177.831 175.800 -0.007 0.000 1.100 326 F CA 1.342 59.336 58.000 -0.011 0.000 1.260 326 F CB -0.896 38.095 39.000 -0.015 0.000 1.009 326 F HN 0.104 nan 8.300 nan 0.000 0.476 327 A N 0.413 123.193 122.820 -0.066 0.000 1.873 327 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 327 A C 2.303 179.757 177.584 -0.217 0.000 1.193 327 A CA 2.110 54.031 52.037 -0.194 0.000 0.629 327 A CB -1.336 17.649 19.000 -0.025 0.000 0.826 327 A HN 0.604 nan 8.150 nan 0.000 0.447 328 E N -0.415 119.711 120.200 -0.123 0.000 2.033 328 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 328 E C 2.282 178.797 176.600 -0.142 0.000 1.011 328 E CA 1.311 57.646 56.400 -0.109 0.000 0.815 328 E CB -0.331 29.331 29.700 -0.063 0.000 0.755 328 E HN 0.535 nan 8.360 nan 0.000 0.451 329 A N 1.389 124.122 122.820 -0.145 0.000 1.971 329 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 329 A C 2.101 179.574 177.584 -0.185 0.000 1.182 329 A CA 1.781 53.736 52.037 -0.137 0.000 0.649 329 A CB -0.686 18.246 19.000 -0.114 0.000 0.818 329 A HN 0.337 nan 8.150 nan 0.000 0.458 330 I N -0.319 120.068 120.570 -0.304 0.000 2.113 330 I HA -0.264 3.906 4.170 -0.000 0.000 0.238 330 I C 3.045 179.024 176.117 -0.231 0.000 1.070 330 I CA 1.491 62.626 61.300 -0.276 0.000 1.332 330 I CB -1.850 35.937 38.000 -0.355 0.000 1.044 330 I HN 0.385 nan 8.210 nan 0.000 0.402 331 A N 1.285 123.980 122.820 -0.208 0.000 1.915 331 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 331 A C 2.512 179.993 177.584 -0.171 0.000 1.198 331 A CA 2.578 54.508 52.037 -0.179 0.000 0.647 331 A CB -1.563 17.360 19.000 -0.130 0.000 0.825 331 A HN 0.486 nan 8.150 nan 0.000 0.456 332 G N -0.470 108.248 108.800 -0.136 0.000 2.440 332 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 332 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 332 G C 1.152 175.985 174.900 -0.112 0.000 1.154 332 G CA 0.864 45.900 45.100 -0.105 0.000 0.767 332 G HN 0.641 nan 8.290 nan 0.000 0.552 333 N N 0.962 119.588 118.700 -0.124 0.000 2.362 333 N HA 0.116 4.856 4.740 -0.000 0.000 0.204 333 N C 1.808 177.204 175.510 -0.189 0.000 1.166 333 N CA -0.085 52.910 53.050 -0.091 0.000 0.831 333 N CB 0.267 38.753 38.487 -0.003 0.000 1.008 333 N HN 0.309 nan 8.380 nan 0.000 0.472 334 L N 1.001 122.012 121.223 -0.353 0.000 2.189 334 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 334 L C 2.085 178.829 176.870 -0.211 0.000 1.097 334 L CA 1.234 55.739 54.840 -0.559 0.000 0.764 334 L CB -0.700 41.110 42.059 -0.415 0.000 0.900 334 L HN 0.282 nan 8.230 nan 0.000 0.436 335 D N 0.791 121.138 120.400 -0.089 0.000 2.351 335 D HA -0.212 4.427 4.640 -0.000 0.000 0.216 335 D C 1.229 177.573 176.300 0.072 0.000 0.968 335 D CA 0.904 54.902 54.000 -0.003 0.000 0.899 335 D CB -0.090 40.706 40.800 -0.006 0.000 0.907 335 D HN 0.441 nan 8.370 nan 0.000 0.514 336 K N -0.497 119.981 120.400 0.129 0.000 2.372 336 K HA 0.206 4.526 4.320 -0.000 0.000 0.200 336 K C 0.333 177.206 176.600 0.454 0.000 1.022 336 K CA -0.207 56.224 56.287 0.241 0.000 1.125 336 K CB 0.531 33.161 32.500 0.217 0.000 0.855 336 K HN 0.167 nan 8.250 nan 0.000 0.524 337 F N 0.067 120.053 119.950 0.060 0.000 2.452 337 F HA 0.545 5.072 4.527 -0.000 0.000 0.353 337 F C 0.189 176.041 175.800 0.087 0.000 1.089 337 F CA -1.374 56.673 58.000 0.079 0.000 1.080 337 F CB 1.544 40.585 39.000 0.068 0.000 1.399 337 F HN -0.330 nan 8.300 nan 0.000 0.492 338 V N 0.319 120.415 119.914 0.304 0.000 2.901 338 V HA 0.319 4.439 4.120 -0.000 0.000 0.260 338 V C -1.847 174.347 176.094 0.167 0.000 1.836 338 V CA -0.568 61.860 62.300 0.213 0.000 0.909 338 V CB 1.673 33.624 31.823 0.213 0.000 1.378 338 V HN 0.756 nan 8.190 nan 0.000 0.442 339 S N 4.096 119.879 115.700 0.140 0.000 2.609 339 S HA 0.525 4.994 4.470 -0.000 0.000 0.250 339 S C -0.897 173.758 174.600 0.091 0.000 1.112 339 S CA 0.142 58.400 58.200 0.096 0.000 1.102 339 S CB 0.898 64.142 63.200 0.074 0.000 1.124 339 S HN 1.079 nan 8.310 nan 0.000 0.460 340 E N 4.783 125.044 120.200 0.102 0.000 3.303 340 E HA 0.306 4.656 4.350 -0.000 0.000 0.215 340 E C -2.265 174.376 176.600 0.067 0.000 1.181 340 E CA -1.828 54.632 56.400 0.100 0.000 0.998 340 E CB 0.960 30.751 29.700 0.151 0.000 1.312 340 E HN 0.367 nan 8.360 nan 0.000 0.412 341 P HA -0.219 nan 4.420 nan 0.000 0.226 341 P C 1.118 178.432 177.300 0.024 0.000 1.146 341 P CA 1.158 64.264 63.100 0.011 0.000 0.773 341 P CB 0.384 32.086 31.700 0.004 0.000 0.772 342 A N 0.822 123.667 122.820 0.041 0.000 1.855 342 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 342 A C 2.186 179.803 177.584 0.056 0.000 1.191 342 A CA 1.785 53.848 52.037 0.043 0.000 0.613 342 A CB -1.260 17.767 19.000 0.046 0.000 0.829 342 A HN 0.235 nan 8.150 nan 0.000 0.442 343 S N -0.405 115.348 115.700 0.089 0.000 2.710 343 S HA 0.389 4.859 4.470 -0.000 0.000 0.224 343 S C 0.990 175.671 174.600 0.134 0.000 0.948 343 S CA 0.386 58.662 58.200 0.126 0.000 0.949 343 S CB -0.467 62.846 63.200 0.187 0.000 0.778 343 S HN 1.572 nan 8.310 nan 0.000 0.498 344 G N 1.230 110.066 108.800 0.061 0.000 2.352 344 G HA2 0.028 3.988 3.960 -0.000 0.000 0.283 344 G HA3 0.028 3.988 3.960 -0.000 0.000 0.283 344 G C 0.186 175.039 174.900 -0.079 0.000 0.946 344 G CA 0.050 45.154 45.100 0.005 0.000 1.317 344 G HN 0.848 nan 8.290 nan 0.000 0.478 345 G N -1.142 107.540 108.800 -0.197 0.000 2.782 345 G HA2 1.101 5.061 3.960 -0.000 0.000 0.304 345 G HA3 1.101 5.061 3.960 -0.000 0.000 0.304 345 G C -0.303 174.360 174.900 -0.396 0.000 1.315 345 G CA 0.449 45.130 45.100 -0.699 0.000 0.791 345 G HN 2.494 nan 8.290 nan 0.000 0.519 346 S N -2.567 112.871 115.700 -0.437 0.000 2.925 346 S HA 0.282 4.752 4.470 -0.000 0.000 0.262 346 S C -1.685 172.927 174.600 0.020 0.000 0.725 346 S CA -0.477 57.681 58.200 -0.070 0.000 0.871 346 S CB 0.173 63.341 63.200 -0.053 0.000 1.096 346 S HN 1.618 nan 8.310 nan 0.000 0.551 347 V N 3.000 122.964 119.914 0.083 0.000 2.482 347 V HA 0.659 4.779 4.120 -0.000 0.000 0.295 347 V C -0.109 175.922 176.094 -0.105 0.000 1.026 347 V CA -0.462 61.874 62.300 0.060 0.000 0.856 347 V CB 1.645 33.543 31.823 0.125 0.000 1.001 347 V HN 0.976 nan 8.190 nan 0.000 0.424 348 K N 3.607 123.914 120.400 -0.156 0.000 2.349 348 K HA 0.840 5.160 4.320 -0.000 0.000 0.243 348 K C -1.562 174.824 176.600 -0.356 0.000 1.058 348 K CA -1.106 54.990 56.287 -0.319 0.000 0.871 348 K CB 2.522 34.966 32.500 -0.093 0.000 1.337 348 K HN 0.383 nan 8.250 nan 0.000 0.469 349 L N 0.535 121.573 121.223 -0.309 0.000 2.408 349 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 349 L C -1.570 175.345 176.870 0.076 0.000 0.986 349 L CA -0.017 54.758 54.840 -0.107 0.000 0.820 349 L CB 2.119 44.138 42.059 -0.066 0.000 1.303 349 L HN 0.580 nan 8.230 nan 0.000 0.411 350 E N 5.034 125.286 120.200 0.086 0.000 2.224 350 E HA 0.523 4.873 4.350 -0.000 0.000 0.265 350 E C -1.377 175.242 176.600 0.032 0.000 0.878 350 E CA -0.462 55.983 56.400 0.076 0.000 0.759 350 E CB 2.152 31.896 29.700 0.073 0.000 1.164 350 E HN 0.514 nan 8.360 nan 0.000 0.414 351 I N 3.456 124.027 120.570 0.002 0.000 2.362 351 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 351 I C 0.025 176.073 176.117 -0.116 0.000 0.994 351 I CA -0.377 60.915 61.300 -0.014 0.000 1.158 351 I CB 1.195 39.230 38.000 0.059 0.000 1.315 351 I HN 0.540 nan 8.210 nan 0.000 0.451 352 E N 4.613 124.726 120.200 -0.146 0.000 2.459 352 E HA 0.840 5.190 4.350 -0.000 0.000 0.275 352 E C 0.077 176.458 176.600 -0.365 0.000 0.987 352 E CA -0.896 55.368 56.400 -0.226 0.000 0.828 352 E CB 1.876 31.501 29.700 -0.126 0.000 1.428 352 E HN 0.700 nan 8.360 nan 0.000 0.457 353 G N 0.332 108.659 108.800 -0.790 0.000 2.553 353 G HA2 0.141 4.101 3.960 -0.000 0.000 0.242 353 G HA3 0.141 4.101 3.960 -0.000 0.000 0.242 353 G C -0.189 174.377 174.900 -0.557 0.000 1.277 353 G CA 0.629 45.037 45.100 -1.154 0.000 0.910 353 G HN 1.491 nan 8.290 nan 0.000 0.576 354 M N -2.927 116.498 119.600 -0.292 0.000 3.256 354 M HA 0.517 4.997 4.480 -0.000 0.000 0.259 354 M C -3.517 172.742 176.300 -0.067 0.000 0.846 354 M CA -1.216 53.999 55.300 -0.140 0.000 0.822 354 M CB -0.304 32.244 32.600 -0.087 0.000 1.553 354 M HN 0.547 nan 8.290 nan 0.000 0.576 355 P HA 0.707 nan 4.420 nan 0.000 0.277 355 P C -1.294 176.013 177.300 0.013 0.000 1.240 355 P CA 0.197 63.199 63.100 -0.164 0.000 0.798 355 P CB 0.284 31.915 31.700 -0.114 0.000 0.979 356 F N -1.632 118.342 119.950 0.040 0.000 2.693 356 F HA 0.768 5.295 4.527 -0.000 0.000 0.309 356 F C -0.156 175.672 175.800 0.046 0.000 1.129 356 F CA -1.271 56.762 58.000 0.055 0.000 0.948 356 F CB 0.539 39.602 39.000 0.106 0.000 1.315 356 F HN 0.388 nan 8.300 nan 0.000 0.447 357 G N -0.024 108.923 108.800 0.245 0.000 2.511 357 G HA2 0.355 4.315 3.960 -0.000 0.000 0.316 357 G HA3 0.355 4.315 3.960 -0.000 0.000 0.316 357 G C -1.233 173.561 174.900 -0.175 0.000 1.210 357 G CA -0.824 44.295 45.100 0.032 0.000 0.969 357 G HN 0.799 nan 8.290 nan 0.000 0.492 358 N N 0.667 119.142 118.700 -0.376 0.000 2.806 358 N HA 0.220 4.960 4.740 -0.000 0.000 0.315 358 N C -1.214 174.185 175.510 -0.185 0.000 1.738 358 N CA -1.780 50.898 53.050 -0.620 0.000 0.993 358 N CB 1.109 39.233 38.487 -0.604 0.000 1.324 358 N HN 0.148 nan 8.380 nan 0.000 0.493 359 P HA -0.156 nan 4.420 nan 0.000 0.218 359 P C 0.350 177.662 177.300 0.020 0.000 1.146 359 P CA 1.211 64.303 63.100 -0.014 0.000 0.820 359 P CB 0.415 32.120 31.700 0.008 0.000 0.778 360 K N -0.735 119.685 120.400 0.034 0.000 2.387 360 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 360 K C 0.171 176.835 176.600 0.107 0.000 1.022 360 K CA -0.422 55.912 56.287 0.078 0.000 1.128 360 K CB 0.177 32.734 32.500 0.095 0.000 0.853 360 K HN -0.150 nan 8.250 nan 0.000 0.523 361 R N 1.427 121.979 120.500 0.086 0.000 3.225 361 R HA -0.123 4.217 4.340 -0.000 0.000 0.245 361 R C -0.083 176.381 176.300 0.274 0.000 0.928 361 R CA 1.161 57.353 56.100 0.155 0.000 0.632 361 R CB -2.971 27.421 30.300 0.153 0.000 1.038 361 R HN 0.501 nan 8.270 nan 0.000 0.461 362 T N -2.625 112.039 114.554 0.183 0.000 2.874 362 T HA 0.477 4.827 4.350 -0.000 0.000 0.281 362 T C -0.782 173.964 174.700 0.076 0.000 0.994 362 T CA -1.445 60.693 62.100 0.063 0.000 1.015 362 T CB 2.153 71.026 68.868 0.010 0.000 1.028 362 T HN -0.016 nan 8.240 nan 0.000 0.523 363 P HA 0.122 nan 4.420 nan 0.000 0.229 363 P C 0.506 177.902 177.300 0.160 0.000 1.160 363 P CA 0.177 63.233 63.100 -0.074 0.000 0.777 363 P CB -0.279 31.060 31.700 -0.601 0.000 0.814 364 A N 1.576 124.448 122.820 0.087 0.000 2.522 364 A HA 0.086 4.406 4.320 -0.000 0.000 0.256 364 A C 0.578 178.231 177.584 0.114 0.000 1.086 364 A CA -0.250 51.837 52.037 0.083 0.000 0.763 364 A CB -0.626 18.354 19.000 -0.034 0.000 1.024 364 A HN 0.140 nan 8.150 nan 0.000 0.502 365 R N 2.248 122.777 120.500 0.049 0.000 2.590 365 R HA 0.220 4.560 4.340 -0.000 0.000 0.274 365 R C -0.866 175.477 176.300 0.072 0.000 1.061 365 R CA 0.073 56.232 56.100 0.099 0.000 1.081 365 R CB 0.162 30.457 30.300 -0.008 0.000 0.984 365 R HN 0.855 nan 8.270 nan 0.000 0.448 366 H N 2.163 121.266 119.070 0.054 0.000 2.499 366 H HA 0.336 4.892 4.556 -0.000 0.000 0.340 366 H C -0.156 174.979 175.328 -0.321 0.000 1.148 366 H CA -0.622 55.450 56.048 0.040 0.000 1.215 366 H CB 1.159 31.011 29.762 0.150 0.000 1.529 366 H HN 0.475 nan 8.280 nan 0.000 0.510 367 R N 1.076 121.174 120.500 -0.669 0.000 2.679 367 R HA -0.022 4.318 4.340 -0.000 0.000 0.268 367 R C -0.040 175.972 176.300 -0.480 0.000 1.044 367 R CA 0.240 56.007 56.100 -0.555 0.000 1.105 367 R CB 0.438 30.408 30.300 -0.549 0.000 0.989 367 R HN 0.739 nan 8.270 nan 0.000 0.447 368 D N -0.175 120.062 120.400 -0.272 0.000 2.449 368 D HA 0.230 4.870 4.640 -0.000 0.000 0.210 368 D C -0.337 175.855 176.300 -0.180 0.000 1.094 368 D CA 0.406 54.286 54.000 -0.199 0.000 0.846 368 D CB 0.965 41.687 40.800 -0.130 0.000 1.003 368 D HN 0.579 nan 8.370 nan 0.000 0.504 369 A N -0.105 122.598 122.820 -0.195 0.000 2.583 369 A HA 0.428 4.748 4.320 -0.000 0.000 0.292 369 A C -0.516 176.952 177.584 -0.194 0.000 1.045 369 A CA -0.720 51.210 52.037 -0.179 0.000 0.672 369 A CB 0.565 19.468 19.000 -0.163 0.000 1.283 369 A HN -0.048 nan 8.150 nan 0.000 0.419 370 M N 0.857 120.332 119.600 -0.207 0.000 2.216 370 M HA 0.183 4.663 4.480 -0.000 0.000 0.317 370 M C 1.023 177.205 176.300 -0.196 0.000 1.015 370 M CA 1.423 56.590 55.300 -0.221 0.000 1.045 370 M CB -0.034 32.418 32.600 -0.246 0.000 1.538 370 M HN 0.925 nan 8.290 nan 0.000 0.440 371 G N 0.937 109.644 108.800 -0.156 0.000 2.461 371 G HA2 0.625 4.585 3.960 -0.000 0.000 0.329 371 G HA3 0.625 4.585 3.960 -0.000 0.000 0.329 371 G C -1.306 173.547 174.900 -0.078 0.000 1.170 371 G CA -0.625 44.416 45.100 -0.098 0.000 0.935 371 G HN 0.568 nan 8.290 nan 0.000 0.492 372 V N 1.361 121.262 119.914 -0.022 0.000 2.443 372 V HA 0.346 4.466 4.120 -0.000 0.000 0.293 372 V C -0.705 175.430 176.094 0.068 0.000 1.021 372 V CA -0.622 61.709 62.300 0.050 0.000 0.848 372 V CB 1.301 33.197 31.823 0.120 0.000 0.998 372 V HN 0.546 nan 8.190 nan 0.000 0.424 373 L N 4.135 125.393 121.223 0.058 0.000 2.307 373 L HA 0.819 5.159 4.340 -0.000 0.000 0.282 373 L C 0.479 177.393 176.870 0.073 0.000 1.051 373 L CA 0.005 54.876 54.840 0.052 0.000 0.804 373 L CB 1.692 43.740 42.059 -0.018 0.000 1.197 373 L HN 0.771 nan 8.230 nan 0.000 0.431 374 A N 5.142 128.025 122.820 0.105 0.000 2.258 374 A HA 0.727 5.047 4.320 -0.000 0.000 0.316 374 A C -0.971 176.697 177.584 0.140 0.000 1.279 374 A CA -0.373 51.724 52.037 0.100 0.000 0.876 374 A CB 0.096 19.173 19.000 0.129 0.000 1.170 374 A HN 0.508 nan 8.150 nan 0.000 0.520 375 L N 1.367 122.649 121.223 0.097 0.000 2.313 375 L HA 0.893 5.233 4.340 -0.000 0.000 0.268 375 L C 0.327 177.304 176.870 0.178 0.000 1.010 375 L CA -0.067 54.883 54.840 0.183 0.000 0.814 375 L CB 1.987 44.127 42.059 0.135 0.000 1.304 375 L HN 0.836 nan 8.230 nan 0.000 0.441 376 A N 1.228 124.195 122.820 0.245 0.000 2.509 376 A HA 0.566 4.886 4.320 -0.000 0.000 0.282 376 A C -1.077 176.598 177.584 0.151 0.000 1.054 376 A CA -0.456 51.744 52.037 0.272 0.000 0.820 376 A CB 0.921 20.200 19.000 0.465 0.000 1.333 376 A HN 0.644 nan 8.150 nan 0.000 0.409 377 E N 2.710 122.938 120.200 0.048 0.000 2.186 377 E HA 0.576 4.926 4.350 -0.000 0.000 0.255 377 E C -0.758 175.734 176.600 -0.180 0.000 0.881 377 E CA -0.489 55.824 56.400 -0.145 0.000 0.752 377 E CB 0.912 30.572 29.700 -0.067 0.000 1.176 377 E HN 0.724 nan 8.360 nan 0.000 0.421 378 W N 2.470 123.628 121.300 -0.237 0.000 3.505 378 W HA 0.662 5.322 4.660 -0.000 0.000 0.338 378 W C -1.241 175.163 176.519 -0.192 0.000 1.159 378 W CA -1.180 55.967 57.345 -0.331 0.000 0.981 378 W CB 0.623 29.901 29.460 -0.302 0.000 1.575 378 W HN 0.204 nan 8.180 nan 0.000 0.608 379 S N 0.064 115.975 115.700 0.352 0.000 2.552 379 S HA 0.421 4.891 4.470 -0.000 0.000 0.314 379 S C 0.836 175.675 174.600 0.398 0.000 1.099 379 S CA -0.010 58.316 58.200 0.209 0.000 1.070 379 S CB 0.922 64.173 63.200 0.084 0.000 0.998 379 S HN 1.036 nan 8.310 nan 0.000 0.474 380 G N 3.234 112.191 108.800 0.262 0.000 2.450 380 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.220 380 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.220 380 G C 0.761 175.735 174.900 0.124 0.000 1.130 380 G CA 0.652 45.891 45.100 0.230 0.000 0.760 380 G HN 1.023 nan 8.290 nan 0.000 0.557 381 A N 0.130 123.002 122.820 0.086 0.000 3.091 381 A HA 0.758 5.078 4.320 -0.000 0.000 0.264 381 A C 0.467 178.092 177.584 0.067 0.000 1.673 381 A CA 0.565 52.635 52.037 0.054 0.000 1.362 381 A CB -0.745 18.272 19.000 0.028 0.000 1.137 381 A HN 1.008 nan 8.150 nan 0.000 0.617 382 A N 1.706 124.571 122.820 0.075 0.000 2.594 382 A HA 0.864 5.184 4.320 -0.000 0.000 0.291 382 A C -3.073 174.528 177.584 0.028 0.000 1.105 382 A CA -1.389 50.693 52.037 0.074 0.000 0.694 382 A CB 1.036 20.127 19.000 0.151 0.000 1.291 382 A HN 0.354 nan 8.150 nan 0.000 0.410 383 P HA 0.344 nan 4.420 nan 0.000 0.287 383 P C 0.716 177.975 177.300 -0.068 0.000 1.294 383 P CA 1.002 64.088 63.100 -0.023 0.000 0.776 383 P CB 0.795 32.486 31.700 -0.015 0.000 0.889 384 G N 3.979 112.727 108.800 -0.087 0.000 2.441 384 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.298 384 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.298 384 G C 1.018 175.786 174.900 -0.219 0.000 0.949 384 G CA 0.663 45.680 45.100 -0.138 0.000 1.072 384 G HN 0.650 nan 8.290 nan 0.000 0.512 385 S N -0.087 115.500 115.700 -0.188 0.000 2.442 385 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 385 S C 1.891 176.217 174.600 -0.456 0.000 1.007 385 S CA 1.252 59.321 58.200 -0.219 0.000 0.965 385 S CB -0.030 63.151 63.200 -0.031 0.000 0.773 385 S HN 0.840 nan 8.310 nan 0.000 0.504 386 E N 3.281 123.224 120.200 -0.428 0.000 2.533 386 E HA -0.214 4.136 4.350 -0.000 0.000 0.203 386 E C 1.486 177.842 176.600 -0.407 0.000 1.101 386 E CA 1.005 57.117 56.400 -0.480 0.000 0.894 386 E CB -0.449 29.068 29.700 -0.304 0.000 0.843 386 E HN 0.908 nan 8.360 nan 0.000 0.552 387 K N 0.334 120.451 120.400 -0.471 0.000 2.001 387 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 387 K C 1.600 178.003 176.600 -0.329 0.000 1.048 387 K CA 1.239 57.273 56.287 -0.420 0.000 0.932 387 K CB -0.768 31.402 32.500 -0.550 0.000 0.715 387 K HN 0.006 nan 8.250 nan 0.000 0.437 388 Y N 2.374 122.568 120.300 -0.177 0.000 1.993 388 Y HA -0.186 4.364 4.550 -0.000 0.000 0.267 388 Y C -0.440 175.430 175.900 -0.050 0.000 1.155 388 Y CA 1.568 59.628 58.100 -0.068 0.000 1.105 388 Y CB -2.228 36.250 38.460 0.030 0.000 0.960 388 Y HN 0.179 nan 8.280 nan 0.000 0.486 389 P HA -0.212 nan 4.420 nan 0.000 0.217 389 P C 1.231 178.558 177.300 0.044 0.000 1.158 389 P CA 2.029 65.167 63.100 0.064 0.000 0.887 389 P CB 0.042 31.649 31.700 -0.155 0.000 0.792 390 E N -0.326 119.849 120.200 -0.041 0.000 2.049 390 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 390 E C 2.175 178.791 176.600 0.027 0.000 1.007 390 E CA 0.805 57.194 56.400 -0.019 0.000 0.809 390 E CB -1.245 28.416 29.700 -0.064 0.000 0.749 390 E HN 0.159 nan 8.360 nan 0.000 0.450 391 L N 0.861 122.106 121.223 0.036 0.000 2.013 391 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 391 L C 2.248 179.180 176.870 0.104 0.000 1.073 391 L CA 2.159 57.044 54.840 0.076 0.000 0.753 391 L CB -1.042 41.080 42.059 0.104 0.000 0.890 391 L HN 0.100 nan 8.230 nan 0.000 0.432 392 A N -0.535 122.359 122.820 0.123 0.000 1.849 392 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 392 A C 2.379 180.033 177.584 0.116 0.000 1.202 392 A CA 2.186 54.300 52.037 0.127 0.000 0.629 392 A CB -0.715 18.391 19.000 0.176 0.000 0.834 392 A HN 0.472 nan 8.150 nan 0.000 0.447 393 R N -0.531 120.035 120.500 0.111 0.000 2.170 393 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 393 R C 2.170 178.522 176.300 0.087 0.000 1.145 393 R CA 1.575 57.736 56.100 0.100 0.000 0.984 393 R CB -0.332 30.018 30.300 0.084 0.000 0.869 393 R HN 0.732 nan 8.270 nan 0.000 0.455 394 E N 0.413 120.661 120.200 0.079 0.000 2.028 394 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 394 E C 1.932 178.585 176.600 0.089 0.000 0.988 394 E CA 0.979 57.423 56.400 0.073 0.000 0.799 394 E CB -0.092 29.648 29.700 0.066 0.000 0.755 394 E HN 0.080 nan 8.360 nan 0.000 0.447 395 L N 1.881 123.172 121.223 0.113 0.000 2.013 395 L HA -0.243 4.096 4.340 -0.000 0.000 0.212 395 L C 1.901 178.842 176.870 0.119 0.000 1.073 395 L CA 2.247 57.171 54.840 0.140 0.000 0.753 395 L CB -0.722 41.435 42.059 0.163 0.000 0.890 395 L HN 0.085 nan 8.230 nan 0.000 0.432 396 D N -0.456 120.011 120.400 0.111 0.000 2.108 396 D HA -0.235 4.405 4.640 -0.000 0.000 0.190 396 D C 2.100 178.454 176.300 0.090 0.000 0.995 396 D CA 1.947 56.012 54.000 0.109 0.000 0.834 396 D CB -0.290 40.583 40.800 0.121 0.000 0.967 396 D HN 0.455 nan 8.370 nan 0.000 0.446 397 A N 0.358 123.226 122.820 0.080 0.000 1.978 397 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 397 A C 2.344 179.960 177.584 0.052 0.000 1.170 397 A CA 2.568 54.642 52.037 0.061 0.000 0.636 397 A CB -1.044 17.989 19.000 0.055 0.000 0.810 397 A HN 0.376 nan 8.150 nan 0.000 0.448 398 A N -0.044 122.812 122.820 0.060 0.000 1.835 398 A HA -0.058 4.261 4.320 -0.000 0.000 0.215 398 A C 2.132 179.744 177.584 0.047 0.000 1.199 398 A CA 1.510 53.577 52.037 0.050 0.000 0.615 398 A CB -0.800 18.235 19.000 0.057 0.000 0.838 398 A HN 0.470 nan 8.150 nan 0.000 0.444 399 L N -0.934 120.327 121.223 0.064 0.000 2.081 399 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 399 L C 2.582 179.493 176.870 0.069 0.000 1.080 399 L CA 1.310 56.195 54.840 0.074 0.000 0.754 399 L CB -0.604 41.525 42.059 0.116 0.000 0.893 399 L HN 0.499 nan 8.230 nan 0.000 0.433 400 L N 0.828 122.084 121.223 0.054 0.000 2.005 400 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 400 L C 2.785 179.668 176.870 0.021 0.000 1.072 400 L CA 1.891 56.749 54.840 0.029 0.000 0.744 400 L CB -0.578 41.490 42.059 0.015 0.000 0.895 400 L HN 0.257 nan 8.230 nan 0.000 0.433 401 R N 0.256 120.770 120.500 0.023 0.000 2.193 401 R HA 0.011 4.351 4.340 -0.000 0.000 0.229 401 R C 1.771 178.081 176.300 0.016 0.000 1.110 401 R CA 1.409 57.518 56.100 0.016 0.000 0.988 401 R CB -1.160 29.150 30.300 0.017 0.000 0.871 401 R HN 0.332 nan 8.270 nan 0.000 0.458 402 A N 0.267 123.100 122.820 0.022 0.000 2.208 402 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 402 A C 1.770 179.370 177.584 0.026 0.000 1.161 402 A CA 0.424 52.473 52.037 0.020 0.000 0.782 402 A CB -0.539 18.472 19.000 0.017 0.000 0.816 402 A HN 0.668 nan 8.150 nan 0.000 0.477 403 G N -1.242 107.575 108.800 0.028 0.000 2.148 403 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 403 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 403 G C 1.113 176.042 174.900 0.048 0.000 0.981 403 G CA 1.135 46.250 45.100 0.026 0.000 0.670 403 G HN 1.385 nan 8.290 nan 0.000 0.528 404 V N -1.623 118.346 119.914 0.090 0.000 2.379 404 V HA 0.268 4.388 4.120 -0.000 0.000 0.243 404 V C 1.689 177.871 176.094 0.146 0.000 1.035 404 V CA 1.946 64.352 62.300 0.176 0.000 1.035 404 V CB -1.044 30.968 31.823 0.314 0.000 0.673 404 V HN 1.099 nan 8.190 nan 0.000 0.457 405 T N 0.923 115.551 114.554 0.123 0.000 2.899 405 T HA 0.497 4.847 4.350 -0.000 0.000 0.284 405 T C 0.287 174.979 174.700 -0.012 0.000 1.004 405 T CA 0.304 62.438 62.100 0.056 0.000 1.043 405 T CB 1.070 69.986 68.868 0.080 0.000 1.013 405 T HN 0.734 nan 8.240 nan 0.000 0.518 406 T N -0.341 114.178 114.554 -0.058 0.000 2.899 406 T HA 0.273 4.623 4.350 -0.000 0.000 0.295 406 T C 1.653 176.267 174.700 -0.143 0.000 1.033 406 T CA -0.303 61.741 62.100 -0.092 0.000 1.084 406 T CB 0.851 69.655 68.868 -0.107 0.000 0.979 406 T HN 0.793 nan 8.240 nan 0.000 0.532 407 S N 1.533 117.146 115.700 -0.146 0.000 2.382 407 S HA 0.114 4.583 4.470 -0.000 0.000 0.228 407 S C 1.304 175.685 174.600 -0.365 0.000 1.027 407 S CA 0.193 58.276 58.200 -0.195 0.000 0.991 407 S CB -0.925 62.199 63.200 -0.127 0.000 0.823 407 S HN 1.149 nan 8.310 nan 0.000 0.469 408 G N 0.210 108.815 108.800 -0.325 0.000 2.528 408 G HA2 0.551 4.511 3.960 -0.000 0.000 0.289 408 G HA3 0.551 4.511 3.960 -0.000 0.000 0.289 408 G C -0.605 173.975 174.900 -0.533 0.000 1.192 408 G CA -0.953 43.893 45.100 -0.423 0.000 0.921 408 G HN 0.241 nan 8.290 nan 0.000 0.512 409 F N -0.793 119.142 119.950 -0.025 0.000 2.380 409 F HA 0.544 5.071 4.527 -0.000 0.000 0.319 409 F C 1.438 177.208 175.800 -0.051 0.000 1.113 409 F CA 0.275 58.256 58.000 -0.031 0.000 1.056 409 F CB 1.273 40.251 39.000 -0.036 0.000 1.289 409 F HN 0.561 nan 8.300 nan 0.000 0.515 410 G N 0.431 109.326 108.800 0.159 0.000 2.568 410 G HA2 0.330 4.290 3.960 -0.000 0.000 0.212 410 G HA3 0.330 4.290 3.960 -0.000 0.000 0.212 410 G C -0.345 174.564 174.900 0.015 0.000 1.821 410 G CA -0.272 44.856 45.100 0.048 0.000 0.904 410 G HN 0.362 nan 8.290 nan 0.000 0.566 411 L N 0.930 122.154 121.223 0.002 0.000 2.346 411 L HA 0.409 4.749 4.340 -0.000 0.000 0.274 411 L C 1.231 178.038 176.870 -0.106 0.000 1.007 411 L CA -0.689 54.120 54.840 -0.053 0.000 0.818 411 L CB 2.429 44.479 42.059 -0.016 0.000 1.284 411 L HN 0.209 nan 8.230 nan 0.000 0.424 412 L N 1.264 122.340 121.223 -0.246 0.000 2.131 412 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 412 L C 1.569 178.301 176.870 -0.230 0.000 1.092 412 L CA 1.129 55.686 54.840 -0.471 0.000 0.759 412 L CB -0.379 41.048 42.059 -1.053 0.000 0.903 412 L HN 0.738 nan 8.230 nan 0.000 0.435 413 N N 0.148 118.851 118.700 0.006 0.000 2.520 413 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 413 N C 1.209 176.828 175.510 0.180 0.000 1.068 413 N CA 0.666 53.827 53.050 0.185 0.000 0.911 413 N CB -0.145 38.409 38.487 0.113 0.000 0.961 413 N HN 0.232 nan 8.380 nan 0.000 0.446 414 N N -0.403 118.355 118.700 0.098 0.000 2.236 414 N HA 0.116 4.856 4.740 -0.000 0.000 0.196 414 N C -0.856 174.801 175.510 0.245 0.000 1.114 414 N CA 0.097 53.208 53.050 0.101 0.000 0.859 414 N CB 0.283 38.775 38.487 0.010 0.000 0.982 414 N HN 0.148 nan 8.380 nan 0.000 0.493 415 N N -0.706 118.117 118.700 0.204 0.000 2.362 415 N HA 0.109 4.849 4.740 -0.000 0.000 0.298 415 N C 0.352 175.968 175.510 0.177 0.000 1.048 415 N CA 0.015 53.168 53.050 0.171 0.000 0.858 415 N CB 1.928 40.396 38.487 -0.032 0.000 1.218 415 N HN 0.041 nan 8.380 nan 0.000 0.488 416 S N 0.393 116.176 115.700 0.138 0.000 2.517 416 S HA 0.113 4.583 4.470 -0.000 0.000 0.214 416 S C 0.444 175.040 174.600 -0.006 0.000 0.991 416 S CA 0.249 58.442 58.200 -0.012 0.000 0.906 416 S CB 0.160 63.259 63.200 -0.169 0.000 0.789 416 S HN 0.457 nan 8.310 nan 0.000 0.513 417 E N 2.064 122.269 120.200 0.008 0.000 2.989 417 E HA 0.348 4.698 4.350 -0.000 0.000 0.224 417 E C -1.167 175.408 176.600 -0.042 0.000 1.175 417 E CA -0.264 56.137 56.400 0.001 0.000 1.300 417 E CB 0.985 30.693 29.700 0.013 0.000 1.422 417 E HN 0.327 nan 8.360 nan 0.000 0.439 418 V N 1.602 121.518 119.914 0.003 0.000 2.439 418 V HA 0.232 4.352 4.120 -0.000 0.000 0.271 418 V C 0.712 176.831 176.094 0.041 0.000 1.040 418 V CA -0.378 61.918 62.300 -0.006 0.000 1.002 418 V CB 0.338 32.242 31.823 0.135 0.000 1.000 418 V HN 0.481 nan 8.190 nan 0.000 0.477 419 T N 1.825 116.357 114.554 -0.037 0.000 2.918 419 T HA 0.684 5.034 4.350 -0.000 0.000 0.286 419 T C 1.139 175.853 174.700 0.023 0.000 1.026 419 T CA -0.103 62.002 62.100 0.008 0.000 1.031 419 T CB 2.055 70.915 68.868 -0.014 0.000 1.046 419 T HN 0.714 nan 8.240 nan 0.000 0.479 420 A N 0.806 123.658 122.820 0.053 0.000 1.948 420 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 420 A C 2.166 179.777 177.584 0.045 0.000 1.177 420 A CA 2.063 54.142 52.037 0.071 0.000 0.636 420 A CB -1.158 17.884 19.000 0.070 0.000 0.815 420 A HN 1.030 nan 8.150 nan 0.000 0.449 421 E N -0.964 119.252 120.200 0.027 0.000 2.160 421 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 421 E C 1.943 178.564 176.600 0.035 0.000 0.991 421 E CA 1.372 57.787 56.400 0.026 0.000 0.810 421 E CB -0.162 29.564 29.700 0.043 0.000 0.742 421 E HN 0.746 nan 8.360 nan 0.000 0.466 422 M N -0.164 119.429 119.600 -0.011 0.000 2.073 422 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 422 M C 2.172 178.470 176.300 -0.003 0.000 1.079 422 M CA 1.192 56.451 55.300 -0.067 0.000 1.131 422 M CB -0.127 32.272 32.600 -0.334 0.000 1.316 422 M HN 0.030 nan 8.290 nan 0.000 0.415 423 V N 1.652 121.574 119.914 0.013 0.000 2.233 423 V HA -0.424 3.696 4.120 -0.000 0.000 0.256 423 V C 2.687 178.915 176.094 0.225 0.000 1.069 423 V CA 2.489 64.872 62.300 0.139 0.000 1.054 423 V CB -1.847 30.155 31.823 0.298 0.000 0.664 423 V HN 0.743 nan 8.190 nan 0.000 0.453 424 A N -0.425 122.470 122.820 0.125 0.000 1.873 424 A HA -0.398 3.922 4.320 -0.000 0.000 0.219 424 A C 2.333 179.955 177.584 0.063 0.000 1.269 424 A CA 2.680 54.686 52.037 -0.051 0.000 0.671 424 A CB -0.904 17.967 19.000 -0.216 0.000 0.842 424 A HN 0.676 nan 8.150 nan 0.000 0.460 425 E N -0.189 120.049 120.200 0.063 0.000 2.209 425 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 425 E C 1.940 178.599 176.600 0.098 0.000 0.993 425 E CA 1.710 58.162 56.400 0.086 0.000 0.819 425 E CB -0.201 29.570 29.700 0.119 0.000 0.745 425 E HN 0.421 nan 8.360 nan 0.000 0.477 426 V N 0.006 119.969 119.914 0.083 0.000 2.302 426 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 426 V C 2.050 178.156 176.094 0.020 0.000 1.036 426 V CA 1.627 63.926 62.300 -0.001 0.000 1.020 426 V CB -0.957 30.771 31.823 -0.159 0.000 0.657 426 V HN 0.215 nan 8.190 nan 0.000 0.453 427 Y N 0.536 120.904 120.300 0.113 0.000 2.421 427 Y HA 0.109 4.659 4.550 -0.000 0.000 0.292 427 Y C 1.031 177.023 175.900 0.153 0.000 1.136 427 Y CA 0.127 58.312 58.100 0.142 0.000 1.255 427 Y CB -0.468 38.112 38.460 0.201 0.000 0.991 427 Y HN 0.290 nan 8.280 nan 0.000 0.552 428 K N -2.589 117.977 120.400 0.276 0.000 6.750 428 K HA -0.175 4.145 4.320 -0.000 0.000 0.600 428 K C -2.530 174.195 176.600 0.210 0.000 2.563 428 K CA 0.126 56.526 56.287 0.189 0.000 2.004 428 K CB -1.048 31.549 32.500 0.161 0.000 2.501 428 K HN -0.062 nan 8.250 nan 0.000 0.183 429 P HA -0.238 nan 4.420 nan 0.000 0.215 429 P C 0.950 178.349 177.300 0.165 0.000 1.163 429 P CA 1.508 64.680 63.100 0.119 0.000 0.894 429 P CB 0.179 31.914 31.700 0.059 0.000 0.791 430 E N -0.790 119.490 120.200 0.132 0.000 2.114 430 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 430 E C 1.884 178.582 176.600 0.163 0.000 1.008 430 E CA 1.083 57.555 56.400 0.119 0.000 0.810 430 E CB -1.102 28.653 29.700 0.091 0.000 0.739 430 E HN -0.025 nan 8.360 nan 0.000 0.456 431 V N -0.470 119.583 119.914 0.231 0.000 2.239 431 V HA -0.226 3.893 4.120 -0.000 0.000 0.242 431 V C 1.865 178.148 176.094 0.314 0.000 1.038 431 V CA 1.887 64.380 62.300 0.323 0.000 1.002 431 V CB -0.788 31.253 31.823 0.362 0.000 0.641 431 V HN 0.331 nan 8.190 nan 0.000 0.449 432 Y N 1.579 121.966 120.300 0.145 0.000 2.062 432 Y HA -0.390 4.160 4.550 -0.000 0.000 0.273 432 Y C 2.822 178.778 175.900 0.093 0.000 1.206 432 Y CA 2.404 60.552 58.100 0.080 0.000 1.125 432 Y CB -0.449 38.068 38.460 0.095 0.000 0.951 432 Y HN 0.241 nan 8.280 nan 0.000 0.501 433 S N -0.206 115.687 115.700 0.322 0.000 2.359 433 S HA -0.307 4.163 4.470 -0.000 0.000 0.223 433 S C 2.022 176.695 174.600 0.122 0.000 1.039 433 S CA 1.673 59.995 58.200 0.203 0.000 1.042 433 S CB -0.516 62.774 63.200 0.150 0.000 0.915 433 S HN 0.471 nan 8.310 nan 0.000 0.439 434 R N 0.729 121.304 120.500 0.125 0.000 2.105 434 R HA -0.035 4.305 4.340 -0.000 0.000 0.239 434 R C 2.185 178.605 176.300 0.200 0.000 1.135 434 R CA 1.007 57.155 56.100 0.080 0.000 0.967 434 R CB -0.328 29.936 30.300 -0.060 0.000 0.861 434 R HN 0.370 nan 8.270 nan 0.000 0.442 435 L N -0.127 121.231 121.223 0.226 0.000 1.973 435 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 435 L C 2.618 179.531 176.870 0.072 0.000 1.073 435 L CA 1.364 56.286 54.840 0.138 0.000 0.746 435 L CB -0.685 41.287 42.059 -0.144 0.000 0.891 435 L HN 0.290 nan 8.230 nan 0.000 0.433 436 A N -0.112 122.658 122.820 -0.084 0.000 2.093 436 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 436 A C 2.413 180.037 177.584 0.066 0.000 1.162 436 A CA 1.815 53.824 52.037 -0.047 0.000 0.655 436 A CB -0.644 18.318 19.000 -0.062 0.000 0.805 436 A HN 0.499 nan 8.150 nan 0.000 0.461 437 A N -0.684 122.185 122.820 0.082 0.000 1.872 437 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 437 A C 2.195 179.852 177.584 0.122 0.000 1.187 437 A CA 1.597 53.683 52.037 0.082 0.000 0.614 437 A CB -0.841 18.193 19.000 0.057 0.000 0.826 437 A HN 0.402 nan 8.150 nan 0.000 0.442 438 V N 0.452 120.456 119.914 0.150 0.000 2.343 438 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 438 V C 2.553 178.873 176.094 0.377 0.000 1.051 438 V CA 2.428 64.834 62.300 0.176 0.000 1.036 438 V CB -0.702 31.046 31.823 -0.126 0.000 0.654 438 V HN 0.615 nan 8.190 nan 0.000 0.451 439 K N 0.914 121.585 120.400 0.453 0.000 2.020 439 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 439 K C 2.228 178.984 176.600 0.260 0.000 1.050 439 K CA 1.730 58.264 56.287 0.412 0.000 0.929 439 K CB -0.434 32.157 32.500 0.153 0.000 0.714 439 K HN 0.322 nan 8.250 nan 0.000 0.443 440 R N 0.104 120.702 120.500 0.164 0.000 2.200 440 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 440 R C 2.181 178.528 176.300 0.078 0.000 1.127 440 R CA 1.486 57.645 56.100 0.100 0.000 0.989 440 R CB -0.123 30.216 30.300 0.066 0.000 0.869 440 R HN 0.441 nan 8.270 nan 0.000 0.459 441 E N -0.832 119.429 120.200 0.101 0.000 2.250 441 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 441 E C 0.689 177.165 176.600 -0.207 0.000 0.986 441 E CA 0.683 57.034 56.400 -0.081 0.000 0.849 441 E CB 0.362 29.970 29.700 -0.155 0.000 0.797 441 E HN 0.382 nan 8.360 nan 0.000 0.482 442 Y N -1.164 119.217 120.300 0.134 0.000 2.444 442 Y HA 0.175 4.725 4.550 -0.000 0.000 0.252 442 Y C 0.329 176.342 175.900 0.187 0.000 1.091 442 Y CA -0.133 58.065 58.100 0.164 0.000 1.276 442 Y CB 1.108 39.691 38.460 0.205 0.000 1.170 442 Y HN -0.107 nan 8.280 nan 0.000 0.517 443 D N -0.047 120.541 120.400 0.313 0.000 3.118 443 D HA 0.142 4.782 4.640 -0.000 0.000 0.286 443 D C -2.255 174.122 176.300 0.128 0.000 1.255 443 D CA -1.739 52.393 54.000 0.221 0.000 0.748 443 D CB 0.706 41.666 40.800 0.267 0.000 1.332 443 D HN -0.086 nan 8.370 nan 0.000 0.575 444 P HA -0.108 nan 4.420 nan 0.000 0.220 444 P C 0.785 178.105 177.300 0.034 0.000 1.148 444 P CA 0.836 63.971 63.100 0.058 0.000 0.803 444 P CB 0.558 32.282 31.700 0.040 0.000 0.782 445 E N -0.784 119.431 120.200 0.025 0.000 2.489 445 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 445 E C 0.441 177.033 176.600 -0.015 0.000 1.057 445 E CA -0.178 56.221 56.400 -0.000 0.000 0.866 445 E CB -1.098 28.594 29.700 -0.014 0.000 0.916 445 E HN 0.110 nan 8.360 nan 0.000 0.500 446 N N 1.516 120.215 118.700 -0.000 0.000 2.725 446 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 446 N C 0.485 175.958 175.510 -0.061 0.000 1.031 446 N CA 0.292 53.331 53.050 -0.018 0.000 0.720 446 N CB -0.464 38.007 38.487 -0.026 0.000 0.930 446 N HN 0.041 nan 8.380 nan 0.000 0.543 447 R N -0.666 119.764 120.500 -0.115 0.000 2.235 447 R HA 0.018 4.358 4.340 -0.000 0.000 0.213 447 R C 0.090 176.172 176.300 -0.363 0.000 1.059 447 R CA 0.799 56.741 56.100 -0.264 0.000 0.997 447 R CB -0.083 29.982 30.300 -0.392 0.000 0.884 447 R HN 0.340 nan 8.270 nan 0.000 0.462 448 F N 1.729 121.644 119.950 -0.058 0.000 2.300 448 F HA 0.279 4.806 4.527 -0.000 0.000 0.364 448 F C 1.378 177.085 175.800 -0.156 0.000 1.090 448 F CA -0.658 57.291 58.000 -0.086 0.000 1.200 448 F CB 0.591 39.523 39.000 -0.113 0.000 1.493 448 F HN -0.072 nan 8.300 nan 0.000 0.518 449 R N -0.548 119.923 120.500 -0.049 0.000 2.472 449 R HA 0.233 4.573 4.340 -0.000 0.000 0.279 449 R C -0.748 175.317 176.300 -0.391 0.000 0.953 449 R CA -0.233 55.740 56.100 -0.212 0.000 1.088 449 R CB -0.290 29.870 30.300 -0.234 0.000 1.197 449 R HN 0.392 nan 8.270 nan 0.000 0.536 450 H N 2.056 121.077 119.070 -0.081 0.000 2.741 450 H HA 0.304 4.860 4.556 -0.000 0.000 0.261 450 H C -0.789 174.259 175.328 -0.466 0.000 1.365 450 H CA -0.150 55.832 56.048 -0.110 0.000 1.266 450 H CB 0.375 30.175 29.762 0.063 0.000 1.485 450 H HN 0.529 nan 8.280 nan 0.000 0.529 451 N N -0.748 117.324 118.700 -1.047 0.000 3.439 451 N HA -0.048 4.692 4.740 -0.000 0.000 0.285 451 N C -1.771 173.168 175.510 -0.953 0.000 1.386 451 N CA -0.943 51.256 53.050 -1.419 0.000 0.824 451 N CB 0.292 38.386 38.487 -0.655 0.000 1.632 451 N HN -0.046 nan 8.380 nan 0.000 0.421 452 Y N 0.572 120.586 120.300 -0.477 0.000 2.517 452 Y HA 0.275 4.825 4.550 -0.000 0.000 0.341 452 Y C 0.971 176.800 175.900 -0.119 0.000 1.247 452 Y CA -1.039 56.977 58.100 -0.141 0.000 1.774 452 Y CB -1.424 37.060 38.460 0.041 0.000 1.641 452 Y HN 0.455 nan 8.280 nan 0.000 0.457 453 N N 3.202 121.882 118.700 -0.035 0.000 2.513 453 N HA 0.081 4.821 4.740 -0.000 0.000 0.268 453 N C -0.945 174.550 175.510 -0.025 0.000 1.180 453 N CA -0.029 52.968 53.050 -0.090 0.000 0.948 453 N CB 0.662 39.072 38.487 -0.128 0.000 1.083 453 N HN 0.257 nan 8.380 nan 0.000 0.455 454 I N 2.828 123.305 120.570 -0.155 0.000 2.328 454 I HA 0.090 4.260 4.170 -0.000 0.000 0.287 454 I C 0.125 176.146 176.117 -0.160 0.000 1.012 454 I CA -0.776 60.368 61.300 -0.259 0.000 1.195 454 I CB 0.736 38.448 38.000 -0.481 0.000 1.350 454 I HN 0.485 nan 8.210 nan 0.000 0.464 455 D N 9.957 130.351 120.400 -0.010 0.000 2.343 455 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 455 D C -1.401 174.916 176.300 0.029 0.000 1.187 455 D CA -1.768 52.254 54.000 0.037 0.000 0.875 455 D CB 1.352 42.221 40.800 0.114 0.000 1.136 455 D HN 0.274 nan 8.370 nan 0.000 0.469 456 P HA -0.144 nan 4.420 nan 0.000 0.234 456 P C -0.471 176.863 177.300 0.057 0.000 1.162 456 P CA 0.481 63.603 63.100 0.036 0.000 0.759 456 P CB -0.070 31.654 31.700 0.041 0.000 0.813 457 E N 0.000 120.244 120.200 0.073 0.000 2.725 457 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 457 E CA 0.000 56.448 56.400 0.080 0.000 0.976 457 E CB 0.000 29.759 29.700 0.098 0.000 0.812 457 E HN 0.000 nan 8.360 nan 0.000 0.440