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 1hmu_1_A DATA FIRST_RESID 26 DATA SEQUENCE GTAELIMKRV MLDLKKPLRN MDKVAEKNLN TLQPDGSWKD VPYKDDAMTN DATA SEQUENCE WLPNNHLLQL ETIIQAYIEK DSHYYGDDKV FDQISKAFKY WYDSDPKSRN DATA SEQUENCE WWHNEIATPQ ALGEMLILMR YGKKPLDEAL VHKLTERMKR GEPEKKTGAN DATA SEQUENCE KTDIALHYFY RALLTSDEAL LSFAVKELFY PVQFVHYEEG LQYDYSYLQH DATA SEQUENCE GPQLQISSYG AVFITGVLKL ANYVRDTPYA LSTEKLAIFS KYYRDSYLKA DATA SEQUENCE IRGSYMDFNV EGRGVSRPDI LNKKAEKKRL LVAKMIDLKH TEEWADAIAR DATA SEQUENCE TDSTVAAGYK IEPYHHQFWN GDYVQHLRPA YSFNVRMVSK RTRRSESGNK DATA SEQUENCE ENLLGRYLSD GATNIQLRGP EYYNIMPVWE WDKIPGITSR DYLTDRPLTK DATA SEQUENCE LWGEQGSNDF AGGVSDGVYG ASAYALDYDS LQAKKAWFFF DKEIVCLGAG DATA SEQUENCE INSNAPENIT TTLNQSWLNG PVISTAGKTG RGKITTFKAQ GQFWLLHDAI DATA SEQUENCE GYYFPEGANL SLSTQSQKGN WFHINNSHSK DEVSGDVFKL WINHGARPEN DATA SEQUENCE AQYAYIVLPG INKPEEIKKY NGTAPKVLAN TNQLQAVYHQ QLDMVQAIFY DATA SEQUENCE TAGKLSVAGI EIETDKPCAV LIKHINGKQV IWAADPLQKE KTAVLSIRDL DATA SEQUENCE KTGKTNRVKI DFPQQEFAGA TVEL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 26 G C 0.000 174.943 174.900 0.072 0.000 0.946 26 G CA 0.000 45.132 45.100 0.053 0.000 0.502 27 T N 1.808 116.419 114.554 0.095 0.000 2.812 27 T HA 0.046 4.398 4.350 0.003 0.000 0.264 27 T C 2.819 177.591 174.700 0.120 0.000 1.042 27 T CA 2.197 64.376 62.100 0.132 0.000 1.140 27 T CB -0.104 68.884 68.868 0.199 0.000 0.870 27 T HN 0.896 nan 8.240 nan 0.000 0.445 28 A N 1.555 124.431 122.820 0.093 0.000 1.908 28 A HA -0.153 4.169 4.320 0.003 0.000 0.218 28 A C 2.197 179.797 177.584 0.026 0.000 1.181 28 A CA 2.031 54.090 52.037 0.037 0.000 0.627 28 A CB -0.610 18.398 19.000 0.013 0.000 0.818 28 A HN 0.437 nan 8.150 nan 0.000 0.445 29 E N -0.277 119.946 120.200 0.040 0.000 2.077 29 E HA -0.162 4.189 4.350 0.003 0.000 0.193 29 E C 1.790 178.435 176.600 0.075 0.000 0.989 29 E CA 1.272 57.701 56.400 0.048 0.000 0.800 29 E CB -0.424 29.302 29.700 0.043 0.000 0.746 29 E HN 0.442 nan 8.360 nan 0.000 0.452 30 L N 0.302 121.572 121.223 0.078 0.000 2.017 30 L HA -0.090 4.251 4.340 0.003 0.000 0.208 30 L C 2.178 179.102 176.870 0.089 0.000 1.073 30 L CA 1.703 56.595 54.840 0.086 0.000 0.745 30 L CB -0.521 41.594 42.059 0.092 0.000 0.894 30 L HN 0.251 nan 8.230 nan 0.000 0.432 31 I N -1.048 119.579 120.570 0.096 0.000 2.142 31 I HA -0.354 3.818 4.170 0.003 0.000 0.240 31 I C 2.617 178.750 176.117 0.027 0.000 1.078 31 I CA 2.030 63.396 61.300 0.110 0.000 1.343 31 I CB -0.332 37.749 38.000 0.134 0.000 1.046 31 I HN 0.390 nan 8.210 nan 0.000 0.405 32 M N 0.781 120.379 119.600 -0.004 0.000 2.108 32 M HA -0.278 4.203 4.480 0.003 0.000 0.261 32 M C 2.303 178.615 176.300 0.020 0.000 1.066 32 M CA 1.863 57.150 55.300 -0.022 0.000 1.107 32 M CB -0.095 32.520 32.600 0.026 0.000 1.356 32 M HN -0.019 nan 8.290 nan 0.000 0.406 33 K N 0.484 120.932 120.400 0.080 0.000 2.044 33 K HA -0.179 4.143 4.320 0.003 0.000 0.210 33 K C 1.714 178.252 176.600 -0.103 0.000 1.049 33 K CA 1.939 58.224 56.287 -0.002 0.000 0.927 33 K CB -0.294 32.243 32.500 0.062 0.000 0.713 33 K HN 0.370 nan 8.250 nan 0.000 0.443 34 R N -0.356 120.128 120.500 -0.027 0.000 2.081 34 R HA -0.082 4.259 4.340 0.003 0.000 0.235 34 R C 2.259 178.516 176.300 -0.072 0.000 1.131 34 R CA 1.502 57.611 56.100 0.015 0.000 0.960 34 R CB -0.525 29.863 30.300 0.146 0.000 0.856 34 R HN 0.040 nan 8.270 nan 0.000 0.436 35 V N 1.508 121.244 119.914 -0.296 0.000 2.343 35 V HA -0.299 3.823 4.120 0.003 0.000 0.247 35 V C 2.473 178.433 176.094 -0.223 0.000 1.051 35 V CA 1.717 63.724 62.300 -0.488 0.000 1.036 35 V CB -0.515 31.003 31.823 -0.509 0.000 0.654 35 V HN 0.386 nan 8.190 nan 0.000 0.451 36 M N -0.125 119.334 119.600 -0.235 0.000 2.065 36 M HA -0.198 4.283 4.480 0.003 0.000 0.259 36 M C 2.218 178.394 176.300 -0.206 0.000 1.069 36 M CA 2.168 57.299 55.300 -0.281 0.000 1.110 36 M CB -0.775 31.417 32.600 -0.681 0.000 1.328 36 M HN 0.289 nan 8.290 nan 0.000 0.405 37 L N 0.192 121.302 121.223 -0.189 0.000 2.079 37 L HA -0.252 4.090 4.340 0.003 0.000 0.210 37 L C 2.172 179.024 176.870 -0.031 0.000 1.081 37 L CA 1.808 56.586 54.840 -0.103 0.000 0.752 37 L CB -0.885 41.133 42.059 -0.068 0.000 0.896 37 L HN 0.352 nan 8.230 nan 0.000 0.433 38 D N -0.045 120.368 120.400 0.022 0.000 2.224 38 D HA -0.128 4.514 4.640 0.003 0.000 0.205 38 D C 2.149 178.482 176.300 0.055 0.000 0.965 38 D CA 0.918 54.973 54.000 0.092 0.000 0.852 38 D CB 0.100 41.066 40.800 0.277 0.000 0.947 38 D HN 0.228 nan 8.370 nan 0.000 0.494 39 L N -0.132 121.096 121.223 0.008 0.000 2.492 39 L HA 0.049 4.391 4.340 0.003 0.000 0.223 39 L C 0.948 177.812 176.870 -0.010 0.000 1.132 39 L CA 0.120 54.958 54.840 -0.003 0.000 0.850 39 L CB -0.154 41.880 42.059 -0.042 0.000 0.966 39 L HN -0.143 nan 8.230 nan 0.000 0.454 40 K N 2.007 122.394 120.400 -0.022 0.000 2.485 40 K HA 0.069 4.391 4.320 0.003 0.000 0.277 40 K C -0.002 176.594 176.600 -0.006 0.000 0.990 40 K CA 0.505 56.781 56.287 -0.018 0.000 0.994 40 K CB 0.548 33.029 32.500 -0.032 0.000 0.906 40 K HN 0.001 nan 8.250 nan 0.000 0.488 41 K N 2.399 122.798 120.400 -0.002 0.000 2.166 41 K HA 0.406 4.727 4.320 0.003 0.000 0.245 41 K C -2.260 174.337 176.600 -0.006 0.000 0.967 41 K CA -1.919 54.367 56.287 -0.001 0.000 0.863 41 K CB 0.860 33.361 32.500 0.002 0.000 1.107 41 K HN 0.312 nan 8.250 nan 0.000 0.436 42 P HA -0.025 nan 4.420 nan 0.000 0.267 42 P C 0.654 177.945 177.300 -0.014 0.000 1.200 42 P CA -0.230 62.862 63.100 -0.013 0.000 0.772 42 P CB 0.468 32.161 31.700 -0.011 0.000 0.855 43 L N 2.691 123.900 121.223 -0.023 0.000 2.217 43 L HA 0.021 4.363 4.340 0.003 0.000 0.211 43 L C 1.109 177.960 176.870 -0.031 0.000 1.107 43 L CA 1.169 55.990 54.840 -0.031 0.000 0.783 43 L CB -0.681 41.350 42.059 -0.046 0.000 0.919 43 L HN 0.255 nan 8.230 nan 0.000 0.442 44 R N 0.735 121.220 120.500 -0.025 0.000 2.484 44 R HA -0.049 4.293 4.340 0.003 0.000 0.293 44 R C 0.490 176.782 176.300 -0.013 0.000 1.023 44 R CA 0.614 56.701 56.100 -0.022 0.000 1.037 44 R CB -0.096 30.194 30.300 -0.017 0.000 0.951 44 R HN 0.405 nan 8.270 nan 0.000 0.418 45 N N 2.547 121.241 118.700 -0.011 0.000 2.815 45 N HA -0.314 4.427 4.740 0.003 0.000 0.247 45 N C 0.785 176.305 175.510 0.017 0.000 1.030 45 N CA 1.626 54.679 53.050 0.005 0.000 0.881 45 N CB -1.024 37.466 38.487 0.005 0.000 1.134 45 N HN 0.757 nan 8.380 nan 0.000 0.582 46 M N 0.666 120.272 119.600 0.010 0.000 2.065 46 M HA -0.176 4.306 4.480 0.003 0.000 0.259 46 M C 1.103 177.452 176.300 0.082 0.000 1.069 46 M CA 1.997 57.316 55.300 0.031 0.000 1.110 46 M CB -0.068 32.545 32.600 0.021 0.000 1.328 46 M HN -0.061 nan 8.290 nan 0.000 0.405 47 D N 0.353 120.798 120.400 0.076 0.000 2.178 47 D HA -0.170 4.472 4.640 0.003 0.000 0.201 47 D C 1.854 178.335 176.300 0.301 0.000 0.980 47 D CA 1.198 55.330 54.000 0.220 0.000 0.842 47 D CB -0.334 40.385 40.800 -0.135 0.000 0.948 47 D HN 0.480 nan 8.370 nan 0.000 0.472 48 K N 0.669 121.164 120.400 0.159 0.000 2.026 48 K HA -0.103 4.219 4.320 0.003 0.000 0.208 48 K C 1.942 178.608 176.600 0.110 0.000 1.048 48 K CA 0.914 57.282 56.287 0.136 0.000 0.929 48 K CB 0.011 32.556 32.500 0.074 0.000 0.713 48 K HN -0.081 nan 8.250 nan 0.000 0.439 49 V N 1.434 121.391 119.914 0.072 0.000 2.343 49 V HA -0.227 3.894 4.120 0.003 0.000 0.247 49 V C 2.482 178.595 176.094 0.033 0.000 1.051 49 V CA 1.912 64.230 62.300 0.029 0.000 1.036 49 V CB -0.751 31.071 31.823 -0.001 0.000 0.654 49 V HN 0.509 nan 8.190 nan 0.000 0.451 50 A N -0.127 122.736 122.820 0.073 0.000 1.883 50 A HA -0.313 4.009 4.320 0.003 0.000 0.217 50 A C 2.308 179.893 177.584 0.001 0.000 1.186 50 A CA 2.201 54.254 52.037 0.027 0.000 0.624 50 A CB -0.570 18.477 19.000 0.079 0.000 0.822 50 A HN 0.647 nan 8.150 nan 0.000 0.444 51 E N -0.229 120.071 120.200 0.165 0.000 2.110 51 E HA -0.237 4.115 4.350 0.003 0.000 0.193 51 E C 2.059 178.716 176.600 0.095 0.000 0.988 51 E CA 1.430 57.939 56.400 0.181 0.000 0.804 51 E CB -0.143 29.736 29.700 0.298 0.000 0.745 51 E HN 0.639 nan 8.360 nan 0.000 0.458 52 K N 0.201 120.646 120.400 0.075 0.000 2.026 52 K HA -0.158 4.163 4.320 0.003 0.000 0.208 52 K C 1.792 178.426 176.600 0.057 0.000 1.048 52 K CA 1.667 57.983 56.287 0.048 0.000 0.929 52 K CB 0.007 32.517 32.500 0.016 0.000 0.713 52 K HN 0.120 nan 8.250 nan 0.000 0.439 53 N N 0.714 119.441 118.700 0.045 0.000 2.354 53 N HA -0.109 4.633 4.740 0.003 0.000 0.179 53 N C 1.670 177.379 175.510 0.331 0.000 1.021 53 N CA 0.533 53.671 53.050 0.147 0.000 0.887 53 N CB -0.066 38.395 38.487 -0.042 0.000 0.974 53 N HN 0.124 nan 8.380 nan 0.000 0.437 54 L N 1.833 123.126 121.223 0.116 0.000 2.109 54 L HA -0.030 4.312 4.340 0.003 0.000 0.207 54 L C 1.858 178.745 176.870 0.028 0.000 1.086 54 L CA 1.361 56.212 54.840 0.019 0.000 0.760 54 L CB -0.901 41.070 42.059 -0.147 0.000 0.910 54 L HN 0.079 nan 8.230 nan 0.000 0.437 55 N N -1.710 117.027 118.700 0.060 0.000 2.223 55 N HA -0.201 4.541 4.740 0.003 0.000 0.185 55 N C 1.677 177.219 175.510 0.054 0.000 1.016 55 N CA 1.743 54.824 53.050 0.051 0.000 0.863 55 N CB -0.097 38.426 38.487 0.060 0.000 0.983 55 N HN 0.336 nan 8.380 nan 0.000 0.429 56 T N -0.927 113.702 114.554 0.125 0.000 3.086 56 T HA 0.172 4.523 4.350 0.003 0.000 0.250 56 T C 0.061 174.778 174.700 0.028 0.000 1.074 56 T CA -0.510 61.679 62.100 0.149 0.000 0.988 56 T CB -0.391 68.637 68.868 0.266 0.000 0.988 56 T HN 0.136 nan 8.240 nan 0.000 0.530 57 L N 3.445 124.590 121.223 -0.130 0.000 2.433 57 L HA 0.345 4.687 4.340 0.003 0.000 0.275 57 L C 0.225 176.843 176.870 -0.419 0.000 1.128 57 L CA 0.125 54.577 54.840 -0.646 0.000 0.875 57 L CB 0.424 42.123 42.059 -0.600 0.000 1.171 57 L HN 0.256 nan 8.230 nan 0.000 0.463 58 Q N 6.271 125.801 119.800 -0.451 0.000 2.417 58 Q HA 0.130 4.471 4.340 0.003 0.000 0.241 58 Q C -1.479 174.362 176.000 -0.264 0.000 1.008 58 Q CA -1.266 54.367 55.803 -0.283 0.000 0.901 58 Q CB 0.290 28.874 28.738 -0.257 0.000 1.259 58 Q HN 0.525 nan 8.270 nan 0.000 0.489 59 P HA -0.196 nan 4.420 nan 0.000 0.219 59 P C 0.465 177.676 177.300 -0.148 0.000 1.146 59 P CA 1.173 64.191 63.100 -0.137 0.000 0.808 59 P CB 0.237 31.882 31.700 -0.092 0.000 0.779 60 D N -1.074 119.216 120.400 -0.184 0.000 2.178 60 D HA -0.095 4.546 4.640 0.003 0.000 0.201 60 D C 1.640 177.803 176.300 -0.228 0.000 0.980 60 D CA 1.872 55.758 54.000 -0.190 0.000 0.842 60 D CB -0.607 40.032 40.800 -0.268 0.000 0.948 60 D HN 0.182 nan 8.370 nan 0.000 0.472 61 G N -0.644 107.953 108.800 -0.339 0.000 2.163 61 G HA2 -0.201 3.761 3.960 0.003 0.000 0.213 61 G HA3 -0.201 3.761 3.960 0.003 0.000 0.213 61 G C 0.274 174.882 174.900 -0.486 0.000 0.991 61 G CA 0.663 45.567 45.100 -0.326 0.000 0.653 61 G HN 0.684 nan 8.290 nan 0.000 0.518 62 S N -0.827 114.427 115.700 -0.743 0.000 2.664 62 S HA 0.823 5.294 4.470 0.003 0.000 0.304 62 S C -0.537 173.802 174.600 -0.435 0.000 1.099 62 S CA -0.930 56.816 58.200 -0.756 0.000 1.003 62 S CB 2.060 64.356 63.200 -1.506 0.000 1.092 62 S HN 0.470 nan 8.310 nan 0.000 0.525 63 W N 0.801 122.177 121.300 0.126 0.000 2.532 63 W HA 0.458 5.120 4.660 0.003 0.000 0.321 63 W C 1.203 177.790 176.519 0.113 0.000 1.037 63 W CA -0.724 56.669 57.345 0.081 0.000 1.220 63 W CB 1.641 31.140 29.460 0.064 0.000 1.361 63 W HN 1.100 nan 8.180 nan 0.000 0.468 64 K N 1.453 121.986 120.400 0.222 0.000 2.103 64 K HA -0.200 4.121 4.320 0.003 0.000 0.207 64 K C 0.884 177.567 176.600 0.138 0.000 1.048 64 K CA 2.020 58.397 56.287 0.149 0.000 0.930 64 K CB -0.276 32.274 32.500 0.083 0.000 0.716 64 K HN 0.355 nan 8.250 nan 0.000 0.444 65 D N -0.250 120.225 120.400 0.126 0.000 2.349 65 D HA 0.090 4.732 4.640 0.003 0.000 0.224 65 D C -0.519 175.771 176.300 -0.015 0.000 1.029 65 D CA 0.193 54.219 54.000 0.044 0.000 0.879 65 D CB 0.218 41.026 40.800 0.013 0.000 0.906 65 D HN 0.215 nan 8.370 nan 0.000 0.528 66 V N 2.418 122.326 119.914 -0.011 0.000 2.350 66 V HA 0.206 4.328 4.120 0.003 0.000 0.276 66 V C -2.191 173.713 176.094 -0.316 0.000 1.028 66 V CA -1.576 60.579 62.300 -0.241 0.000 0.860 66 V CB 1.676 33.267 31.823 -0.388 0.000 0.990 66 V HN -0.131 nan 8.190 nan 0.000 0.453 67 P HA 0.206 nan 4.420 nan 0.000 0.244 67 P C 0.083 177.281 177.300 -0.169 0.000 1.769 67 P CA -0.191 62.834 63.100 -0.124 0.000 1.102 67 P CB -0.171 31.471 31.700 -0.096 0.000 1.937 68 Y N 0.743 121.049 120.300 0.009 0.000 2.465 68 Y HA -0.194 4.358 4.550 0.003 0.000 0.289 68 Y C 1.962 177.830 175.900 -0.054 0.000 1.150 68 Y CA 1.091 59.173 58.100 -0.030 0.000 1.293 68 Y CB -0.413 38.068 38.460 0.034 0.000 0.977 68 Y HN 0.142 nan 8.280 nan 0.000 0.556 69 K N 0.274 120.733 120.400 0.098 0.000 2.361 69 K HA -0.009 4.312 4.320 0.003 0.000 0.196 69 K C 0.014 176.661 176.600 0.077 0.000 1.039 69 K CA 0.220 56.553 56.287 0.076 0.000 1.001 69 K CB -0.481 32.059 32.500 0.067 0.000 0.795 69 K HN 0.339 nan 8.250 nan 0.000 0.495 70 D N 2.398 122.818 120.400 0.032 0.000 2.506 70 D HA -0.101 4.541 4.640 0.003 0.000 0.234 70 D C 0.098 176.538 176.300 0.232 0.000 1.143 70 D CA 0.493 54.527 54.000 0.056 0.000 0.871 70 D CB 0.606 41.368 40.800 -0.063 0.000 1.190 70 D HN 0.128 nan 8.370 nan 0.000 0.459 71 D N 1.913 122.479 120.400 0.277 0.000 2.692 71 D HA 0.184 4.826 4.640 0.003 0.000 0.290 71 D C -0.131 176.346 176.300 0.294 0.000 1.455 71 D CA -0.506 53.715 54.000 0.370 0.000 0.796 71 D CB -0.426 40.496 40.800 0.203 0.000 1.131 71 D HN 0.407 nan 8.370 nan 0.000 0.467 72 A N 0.606 123.620 122.820 0.324 0.000 2.555 72 A HA 0.219 4.541 4.320 0.003 0.000 0.233 72 A C 1.437 179.153 177.584 0.220 0.000 1.060 72 A CA 0.093 52.266 52.037 0.226 0.000 0.759 72 A CB 0.315 19.424 19.000 0.181 0.000 0.995 72 A HN 0.308 nan 8.150 nan 0.000 0.506 73 M N 1.909 121.611 119.600 0.170 0.000 2.077 73 M HA -0.025 4.457 4.480 0.003 0.000 0.261 73 M C 1.200 177.654 176.300 0.256 0.000 1.070 73 M CA 2.415 57.823 55.300 0.179 0.000 1.125 73 M CB -0.296 32.387 32.600 0.139 0.000 1.339 73 M HN 0.899 nan 8.290 nan 0.000 0.409 74 T N -2.018 112.654 114.554 0.198 0.000 2.912 74 T HA 0.429 4.780 4.350 0.003 0.000 0.288 74 T C -0.086 174.704 174.700 0.150 0.000 1.030 74 T CA -0.774 61.445 62.100 0.198 0.000 1.020 74 T CB 1.302 70.213 68.868 0.073 0.000 1.056 74 T HN 0.424 nan 8.240 nan 0.000 0.480 75 N N -0.354 118.428 118.700 0.137 0.000 2.756 75 N HA -0.146 4.596 4.740 0.003 0.000 0.248 75 N C -1.138 174.421 175.510 0.082 0.000 1.062 75 N CA 0.468 53.559 53.050 0.068 0.000 0.696 75 N CB -1.261 37.227 38.487 0.003 0.000 0.946 75 N HN 0.874 nan 8.380 nan 0.000 0.548 76 W N 2.353 123.555 121.300 -0.164 0.000 2.598 76 W HA 0.241 4.903 4.660 0.003 0.000 0.396 76 W C 1.210 177.646 176.519 -0.137 0.000 1.142 76 W CA -0.327 56.864 57.345 -0.257 0.000 1.568 76 W CB -0.461 28.566 29.460 -0.721 0.000 1.637 76 W HN 0.281 nan 8.180 nan 0.000 0.417 77 L N 7.399 128.409 121.223 -0.356 0.000 2.127 77 L HA -0.169 4.172 4.340 0.003 0.000 0.211 77 L C -0.272 176.257 176.870 -0.570 0.000 1.089 77 L CA 0.920 55.532 54.840 -0.381 0.000 0.757 77 L CB -1.813 40.092 42.059 -0.256 0.000 0.899 77 L HN 0.240 nan 8.230 nan 0.000 0.434 78 P HA -0.192 nan 4.420 nan 0.000 0.221 78 P C 1.185 178.213 177.300 -0.453 0.000 1.145 78 P CA 1.316 63.939 63.100 -0.796 0.000 0.795 78 P CB -0.212 30.835 31.700 -1.089 0.000 0.775 79 N N -0.427 117.918 118.700 -0.591 0.000 2.348 79 N HA -0.168 4.574 4.740 0.003 0.000 0.185 79 N C 1.311 176.714 175.510 -0.179 0.000 1.019 79 N CA 0.676 53.617 53.050 -0.183 0.000 0.880 79 N CB -0.293 38.225 38.487 0.053 0.000 0.965 79 N HN 0.058 nan 8.380 nan 0.000 0.437 80 N N 0.300 118.869 118.700 -0.218 0.000 2.348 80 N HA -0.189 4.553 4.740 0.003 0.000 0.185 80 N C 1.403 176.742 175.510 -0.284 0.000 1.019 80 N CA 0.751 53.656 53.050 -0.242 0.000 0.880 80 N CB -0.468 37.864 38.487 -0.258 0.000 0.965 80 N HN 0.578 nan 8.380 nan 0.000 0.437 81 H N 0.716 119.646 119.070 -0.234 0.000 2.326 81 H HA 0.106 4.664 4.556 0.003 0.000 0.301 81 H C 2.156 177.357 175.328 -0.210 0.000 1.081 81 H CA 1.180 57.196 56.048 -0.053 0.000 1.334 81 H CB -0.104 29.917 29.762 0.432 0.000 1.385 81 H HN 0.048 nan 8.280 nan 0.000 0.504 82 L N -0.070 120.988 121.223 -0.275 0.000 2.017 82 L HA -0.169 4.172 4.340 0.003 0.000 0.208 82 L C 2.504 179.196 176.870 -0.297 0.000 1.073 82 L CA 1.008 55.619 54.840 -0.383 0.000 0.745 82 L CB -0.439 41.327 42.059 -0.489 0.000 0.894 82 L HN 0.348 nan 8.230 nan 0.000 0.432 83 L N -0.698 120.367 121.223 -0.263 0.000 2.012 83 L HA -0.264 4.078 4.340 0.003 0.000 0.210 83 L C 2.720 179.411 176.870 -0.299 0.000 1.073 83 L CA 1.491 56.196 54.840 -0.225 0.000 0.748 83 L CB -0.553 41.393 42.059 -0.189 0.000 0.891 83 L HN 0.355 nan 8.230 nan 0.000 0.431 84 Q N -0.530 118.984 119.800 -0.477 0.000 2.119 84 Q HA -0.228 4.113 4.340 0.003 0.000 0.201 84 Q C 2.207 177.945 176.000 -0.437 0.000 0.972 84 Q CA 1.224 56.649 55.803 -0.630 0.000 0.847 84 Q CB -0.209 27.750 28.738 -1.297 0.000 0.903 84 Q HN 0.323 nan 8.270 nan 0.000 0.433 85 L N 1.173 122.172 121.223 -0.372 0.000 2.141 85 L HA -0.153 4.189 4.340 0.003 0.000 0.209 85 L C 2.181 178.936 176.870 -0.191 0.000 1.094 85 L CA 1.722 56.450 54.840 -0.188 0.000 0.763 85 L CB -0.418 41.444 42.059 -0.327 0.000 0.908 85 L HN 0.163 nan 8.230 nan 0.000 0.437 86 E N -0.402 119.684 120.200 -0.190 0.000 2.077 86 E HA -0.234 4.118 4.350 0.003 0.000 0.193 86 E C 2.027 178.584 176.600 -0.072 0.000 0.989 86 E CA 1.914 58.247 56.400 -0.112 0.000 0.800 86 E CB -0.171 29.470 29.700 -0.099 0.000 0.746 86 E HN 0.723 nan 8.360 nan 0.000 0.452 87 T N -0.931 113.565 114.554 -0.096 0.000 2.833 87 T HA -0.092 4.259 4.350 0.003 0.000 0.269 87 T C 2.162 176.846 174.700 -0.026 0.000 1.054 87 T CA 1.274 63.339 62.100 -0.058 0.000 1.135 87 T CB -0.395 68.423 68.868 -0.084 0.000 0.869 87 T HN 0.151 nan 8.240 nan 0.000 0.466 88 I N 0.383 120.926 120.570 -0.046 0.000 2.406 88 I HA 0.055 4.227 4.170 0.003 0.000 0.249 88 I C 2.483 178.616 176.117 0.028 0.000 1.122 88 I CA 0.886 62.164 61.300 -0.036 0.000 1.431 88 I CB -0.287 37.677 38.000 -0.060 0.000 1.087 88 I HN 0.205 nan 8.210 nan 0.000 0.424 89 I N 0.361 120.944 120.570 0.022 0.000 2.286 89 I HA -0.281 3.891 4.170 0.003 0.000 0.248 89 I C 2.670 178.890 176.117 0.172 0.000 1.115 89 I CA 1.078 62.443 61.300 0.108 0.000 1.392 89 I CB -0.412 37.635 38.000 0.078 0.000 1.065 89 I HN 0.313 nan 8.210 nan 0.000 0.418 90 Q N 0.753 120.616 119.800 0.106 0.000 2.045 90 Q HA -0.237 4.105 4.340 0.003 0.000 0.206 90 Q C 2.495 178.585 176.000 0.149 0.000 0.991 90 Q CA 2.170 58.035 55.803 0.103 0.000 0.851 90 Q CB -0.608 28.164 28.738 0.057 0.000 0.911 90 Q HN 0.585 nan 8.270 nan 0.000 0.418 91 A N 0.322 123.244 122.820 0.170 0.000 1.865 91 A HA -0.245 4.077 4.320 0.003 0.000 0.217 91 A C 2.034 179.809 177.584 0.320 0.000 1.191 91 A CA 1.691 53.875 52.037 0.244 0.000 0.623 91 A CB -1.195 17.992 19.000 0.311 0.000 0.826 91 A HN 0.455 nan 8.150 nan 0.000 0.444 92 Y N 1.406 121.823 120.300 0.194 0.000 2.139 92 Y HA -0.271 4.281 4.550 0.003 0.000 0.282 92 Y C 1.957 178.009 175.900 0.253 0.000 1.179 92 Y CA 2.176 60.399 58.100 0.206 0.000 1.161 92 Y CB -0.284 38.264 38.460 0.146 0.000 0.970 92 Y HN 0.472 nan 8.280 nan 0.000 0.511 93 I N -1.571 119.105 120.570 0.178 0.000 3.728 93 I HA 0.151 4.323 4.170 0.003 0.000 0.307 93 I C 0.336 176.610 176.117 0.262 0.000 1.276 93 I CA 0.255 61.647 61.300 0.154 0.000 1.285 93 I CB -0.278 37.842 38.000 0.200 0.000 1.038 93 I HN 0.037 nan 8.210 nan 0.000 0.445 94 E N 2.546 122.872 120.200 0.210 0.000 2.223 94 E HA 0.124 4.476 4.350 0.003 0.000 0.282 94 E C 0.683 177.152 176.600 -0.218 0.000 1.046 94 E CA -0.062 56.357 56.400 0.031 0.000 0.857 94 E CB 1.141 30.858 29.700 0.029 0.000 1.055 94 E HN 0.222 nan 8.360 nan 0.000 0.409 95 K N 3.069 123.077 120.400 -0.654 0.000 2.063 95 K HA -0.137 4.185 4.320 0.003 0.000 0.208 95 K C 0.507 176.741 176.600 -0.610 0.000 1.048 95 K CA 1.611 57.137 56.287 -1.269 0.000 0.928 95 K CB 0.137 32.175 32.500 -0.769 0.000 0.713 95 K HN 0.549 nan 8.250 nan 0.000 0.442 96 D N 0.622 120.836 120.400 -0.310 0.000 2.349 96 D HA -0.031 4.611 4.640 0.003 0.000 0.224 96 D C 0.409 176.627 176.300 -0.138 0.000 1.029 96 D CA 0.335 54.225 54.000 -0.183 0.000 0.879 96 D CB 0.240 40.955 40.800 -0.142 0.000 0.906 96 D HN -0.009 nan 8.370 nan 0.000 0.528 97 S N 0.361 116.011 115.700 -0.084 0.000 2.548 97 S HA 0.004 4.476 4.470 0.003 0.000 0.277 97 S C 1.291 175.925 174.600 0.057 0.000 1.315 97 S CA -0.598 57.592 58.200 -0.017 0.000 1.050 97 S CB 0.382 63.676 63.200 0.157 0.000 0.918 97 S HN 0.346 nan 8.310 nan 0.000 0.497 98 H N 3.134 122.160 119.070 -0.073 0.000 2.553 98 H HA 0.089 4.647 4.556 0.003 0.000 0.269 98 H C 0.137 175.332 175.328 -0.221 0.000 1.011 98 H CA 0.316 56.262 56.048 -0.171 0.000 1.150 98 H CB -0.226 29.373 29.762 -0.272 0.000 1.339 98 H HN 0.774 nan 8.280 nan 0.000 0.604 99 Y N -0.406 120.102 120.300 0.347 0.000 2.481 99 Y HA 0.034 4.586 4.550 0.003 0.000 0.247 99 Y C 0.335 176.379 175.900 0.240 0.000 1.151 99 Y CA -1.095 57.163 58.100 0.263 0.000 1.238 99 Y CB 0.317 38.939 38.460 0.269 0.000 1.179 99 Y HN 0.119 nan 8.280 nan 0.000 0.524 100 Y N 2.212 122.621 120.300 0.181 0.000 2.916 100 Y HA 0.092 4.643 4.550 0.003 0.000 0.344 100 Y C 1.375 177.252 175.900 -0.038 0.000 1.282 100 Y CA 0.788 58.902 58.100 0.022 0.000 1.604 100 Y CB 0.007 38.462 38.460 -0.008 0.000 1.207 100 Y HN 0.437 nan 8.280 nan 0.000 0.561 101 G N 4.370 112.735 108.800 -0.725 0.000 2.200 101 G HA2 -0.395 3.567 3.960 0.003 0.000 0.267 101 G HA3 -0.395 3.567 3.960 0.003 0.000 0.267 101 G C 0.041 174.921 174.900 -0.034 0.000 0.993 101 G CA 0.439 45.145 45.100 -0.656 0.000 0.701 101 G HN 0.926 nan 8.290 nan 0.000 0.524 102 D N -0.107 120.416 120.400 0.205 0.000 2.434 102 D HA 0.336 4.977 4.640 0.003 0.000 0.252 102 D C 1.407 177.897 176.300 0.317 0.000 1.185 102 D CA 0.048 54.202 54.000 0.257 0.000 0.886 102 D CB 0.419 41.407 40.800 0.314 0.000 1.148 102 D HN 0.097 nan 8.370 nan 0.000 0.483 103 D N 2.921 123.435 120.400 0.189 0.000 2.149 103 D HA -0.175 4.466 4.640 0.003 0.000 0.198 103 D C 1.610 178.020 176.300 0.184 0.000 0.990 103 D CA 0.982 55.081 54.000 0.164 0.000 0.839 103 D CB 0.067 40.911 40.800 0.073 0.000 0.948 103 D HN 0.388 nan 8.370 nan 0.000 0.460 104 K N 0.859 121.345 120.400 0.142 0.000 2.025 104 K HA -0.063 4.259 4.320 0.003 0.000 0.207 104 K C 1.863 178.508 176.600 0.075 0.000 1.049 104 K CA 0.848 57.195 56.287 0.098 0.000 0.933 104 K CB -0.569 31.980 32.500 0.083 0.000 0.714 104 K HN -0.035 nan 8.250 nan 0.000 0.438 105 V N 1.083 121.062 119.914 0.108 0.000 2.407 105 V HA -0.184 3.938 4.120 0.003 0.000 0.248 105 V C 2.088 178.119 176.094 -0.105 0.000 1.055 105 V CA 1.901 64.212 62.300 0.018 0.000 1.049 105 V CB -0.685 31.208 31.823 0.118 0.000 0.662 105 V HN 0.357 nan 8.190 nan 0.000 0.455 106 F N 1.753 121.569 119.950 -0.223 0.000 2.069 106 F HA -0.242 4.286 4.527 0.003 0.000 0.298 106 F C 2.243 177.926 175.800 -0.195 0.000 1.113 106 F CA 2.275 60.040 58.000 -0.391 0.000 1.214 106 F CB -0.456 38.411 39.000 -0.221 0.000 0.978 106 F HN 0.221 nan 8.300 nan 0.000 0.474 107 D N 0.079 120.485 120.400 0.009 0.000 2.133 107 D HA -0.224 4.418 4.640 0.003 0.000 0.195 107 D C 2.221 178.415 176.300 -0.176 0.000 0.997 107 D CA 1.729 55.692 54.000 -0.062 0.000 0.840 107 D CB -0.570 40.259 40.800 0.048 0.000 0.947 107 D HN 0.538 nan 8.370 nan 0.000 0.452 108 Q N -0.123 119.577 119.800 -0.167 0.000 2.119 108 Q HA -0.030 4.312 4.340 0.003 0.000 0.201 108 Q C 2.483 178.333 176.000 -0.250 0.000 0.972 108 Q CA 0.588 56.274 55.803 -0.196 0.000 0.847 108 Q CB 0.094 28.724 28.738 -0.180 0.000 0.903 108 Q HN 0.358 nan 8.270 nan 0.000 0.433 109 I N 0.396 120.780 120.570 -0.310 0.000 2.252 109 I HA -0.250 3.922 4.170 0.003 0.000 0.245 109 I C 2.189 178.173 176.117 -0.221 0.000 1.102 109 I CA 0.874 61.982 61.300 -0.321 0.000 1.385 109 I CB -0.171 37.602 38.000 -0.379 0.000 1.064 109 I HN 0.098 nan 8.210 nan 0.000 0.414 110 S N 0.688 116.191 115.700 -0.329 0.000 2.368 110 S HA -0.229 4.243 4.470 0.003 0.000 0.225 110 S C 2.454 177.036 174.600 -0.030 0.000 1.030 110 S CA 1.904 59.990 58.200 -0.189 0.000 0.999 110 S CB -0.474 62.500 63.200 -0.378 0.000 0.844 110 S HN 0.547 nan 8.310 nan 0.000 0.459 111 K N 1.395 121.744 120.400 -0.085 0.000 2.097 111 K HA 0.247 4.569 4.320 0.003 0.000 0.205 111 K C 2.294 178.910 176.600 0.028 0.000 1.050 111 K CA 1.436 57.703 56.287 -0.034 0.000 0.938 111 K CB -1.355 31.090 32.500 -0.092 0.000 0.718 111 K HN 0.428 nan 8.250 nan 0.000 0.442 112 A N -0.064 122.728 122.820 -0.047 0.000 1.902 112 A HA 0.070 4.391 4.320 0.003 0.000 0.217 112 A C 2.290 180.050 177.584 0.294 0.000 1.181 112 A CA 1.506 53.565 52.037 0.035 0.000 0.623 112 A CB -0.550 18.320 19.000 -0.217 0.000 0.818 112 A HN 0.523 nan 8.150 nan 0.000 0.443 113 F N -0.137 119.923 119.950 0.182 0.000 2.102 113 F HA -0.190 4.338 4.527 0.003 0.000 0.298 113 F C 2.421 178.371 175.800 0.249 0.000 1.105 113 F CA 1.710 59.840 58.000 0.217 0.000 1.239 113 F CB -0.018 39.022 39.000 0.065 0.000 0.991 113 F HN 0.134 nan 8.300 nan 0.000 0.474 114 K N 0.048 120.654 120.400 0.344 0.000 2.063 114 K HA -0.267 4.055 4.320 0.003 0.000 0.208 114 K C 1.898 178.642 176.600 0.239 0.000 1.048 114 K CA 1.624 58.055 56.287 0.239 0.000 0.928 114 K CB -1.004 31.577 32.500 0.134 0.000 0.713 114 K HN 0.320 nan 8.250 nan 0.000 0.442 115 Y N -0.443 119.926 120.300 0.115 0.000 2.181 115 Y HA -0.213 4.339 4.550 0.003 0.000 0.288 115 Y C 2.172 178.052 175.900 -0.033 0.000 1.146 115 Y CA 2.054 60.145 58.100 -0.015 0.000 1.164 115 Y CB -0.372 38.036 38.460 -0.086 0.000 0.982 115 Y HN 0.296 nan 8.280 nan 0.000 0.515 116 W N -0.196 121.097 121.300 -0.011 0.000 2.338 116 W HA -0.345 4.317 4.660 0.003 0.000 0.304 116 W C 1.997 178.506 176.519 -0.016 0.000 1.212 116 W CA 2.194 59.497 57.345 -0.071 0.000 1.264 116 W CB -0.956 28.583 29.460 0.131 0.000 1.142 116 W HN 0.307 nan 8.180 nan 0.000 0.512 117 Y N 2.195 122.545 120.300 0.084 0.000 2.114 117 Y HA -0.272 4.280 4.550 0.003 0.000 0.284 117 Y C 2.242 178.035 175.900 -0.180 0.000 1.143 117 Y CA 2.663 60.752 58.100 -0.019 0.000 1.135 117 Y CB -0.861 37.634 38.460 0.059 0.000 0.980 117 Y HN -0.177 nan 8.280 nan 0.000 0.499 118 D N -0.883 119.413 120.400 -0.174 0.000 2.097 118 D HA -0.191 4.450 4.640 0.003 0.000 0.195 118 D C 2.409 178.421 176.300 -0.480 0.000 0.989 118 D CA 1.725 55.539 54.000 -0.310 0.000 0.827 118 D CB -0.596 40.063 40.800 -0.235 0.000 0.966 118 D HN 0.341 nan 8.370 nan 0.000 0.456 119 S N 0.008 115.314 115.700 -0.657 0.000 2.406 119 S HA -0.174 4.298 4.470 0.003 0.000 0.228 119 S C 0.138 174.423 174.600 -0.523 0.000 1.020 119 S CA 0.918 58.728 58.200 -0.649 0.000 0.965 119 S CB -0.249 62.417 63.200 -0.890 0.000 0.798 119 S HN 0.158 nan 8.310 nan 0.000 0.488 120 D N 1.307 121.329 120.400 -0.629 0.000 2.802 120 D HA -0.098 4.544 4.640 0.003 0.000 0.229 120 D C -2.635 173.417 176.300 -0.414 0.000 1.203 120 D CA 0.208 53.876 54.000 -0.553 0.000 0.712 120 D CB -0.700 39.853 40.800 -0.411 0.000 0.973 120 D HN 0.293 nan 8.370 nan 0.000 0.407 121 P HA 0.180 nan 4.420 nan 0.000 0.268 121 P C -0.385 177.069 177.300 0.257 0.000 1.204 121 P CA 0.279 63.303 63.100 -0.127 0.000 0.768 121 P CB 0.719 32.240 31.700 -0.298 0.000 0.842 122 K N 1.092 121.687 120.400 0.325 0.000 2.435 122 K HA 0.601 4.923 4.320 0.003 0.000 0.251 122 K C -0.502 176.127 176.600 0.048 0.000 0.954 122 K CA -0.780 55.568 56.287 0.102 0.000 0.820 122 K CB 2.275 34.774 32.500 -0.002 0.000 1.292 122 K HN 0.293 nan 8.250 nan 0.000 0.436 123 S N 0.223 115.610 115.700 -0.522 0.000 2.638 123 S HA 0.221 4.693 4.470 0.003 0.000 0.298 123 S C 0.895 175.408 174.600 -0.146 0.000 1.111 123 S CA -0.741 57.143 58.200 -0.528 0.000 1.027 123 S CB 0.970 63.480 63.200 -1.149 0.000 1.064 123 S HN 0.728 nan 8.310 nan 0.000 0.525 124 R N 1.782 122.275 120.500 -0.012 0.000 2.280 124 R HA 0.072 4.414 4.340 0.003 0.000 0.207 124 R C 0.120 176.464 176.300 0.073 0.000 1.043 124 R CA 0.465 56.595 56.100 0.050 0.000 1.006 124 R CB -0.546 29.803 30.300 0.082 0.000 0.885 124 R HN 0.412 nan 8.270 nan 0.000 0.467 125 N N 2.003 120.732 118.700 0.049 0.000 2.462 125 N HA -0.033 4.708 4.740 0.003 0.000 0.242 125 N C 0.901 176.392 175.510 -0.031 0.000 1.010 125 N CA -1.022 52.060 53.050 0.052 0.000 0.939 125 N CB 0.437 38.975 38.487 0.084 0.000 1.127 125 N HN 0.406 nan 8.380 nan 0.000 0.509 126 W N 3.427 124.752 121.300 0.043 0.000 2.313 126 W HA -0.223 4.438 4.660 0.003 0.000 0.293 126 W C 1.072 177.612 176.519 0.035 0.000 1.216 126 W CA 0.181 57.536 57.345 0.017 0.000 1.223 126 W CB -1.132 28.335 29.460 0.013 0.000 1.138 126 W HN 0.639 nan 8.180 nan 0.000 0.535 127 W N 2.324 122.756 121.300 -1.446 0.000 2.318 127 W HA -0.265 4.397 4.660 0.003 0.000 0.313 127 W C 2.884 179.020 176.519 -0.639 0.000 1.221 127 W CA 3.159 59.662 57.345 -1.403 0.000 1.266 127 W CB -0.984 27.712 29.460 -1.273 0.000 1.150 127 W HN -0.063 nan 8.180 nan 0.000 0.496 128 H N -0.504 118.439 119.070 -0.213 0.000 2.389 128 H HA -0.102 4.456 4.556 0.003 0.000 0.299 128 H C 1.818 176.920 175.328 -0.377 0.000 1.081 128 H CA 1.708 57.573 56.048 -0.305 0.000 1.345 128 H CB -0.622 28.847 29.762 -0.488 0.000 1.393 128 H HN 0.289 nan 8.280 nan 0.000 0.520 129 N N 0.821 119.402 118.700 -0.198 0.000 2.300 129 N HA -0.076 4.666 4.740 0.003 0.000 0.179 129 N C 1.448 176.940 175.510 -0.031 0.000 1.016 129 N CA 0.599 53.585 53.050 -0.107 0.000 0.876 129 N CB 0.064 38.513 38.487 -0.064 0.000 0.979 129 N HN 0.557 nan 8.380 nan 0.000 0.432 130 E N -0.351 119.849 120.200 0.001 0.000 2.452 130 E HA 0.240 4.591 4.350 0.003 0.000 0.197 130 E C 1.235 177.869 176.600 0.056 0.000 1.022 130 E CA 0.126 56.599 56.400 0.123 0.000 0.890 130 E CB 0.851 30.781 29.700 0.383 0.000 0.918 130 E HN 0.282 nan 8.360 nan 0.000 0.496 131 I N -0.340 120.066 120.570 -0.272 0.000 3.669 131 I HA 0.097 4.269 4.170 0.003 0.000 0.255 131 I C 2.194 178.063 176.117 -0.413 0.000 1.144 131 I CA 0.406 61.482 61.300 -0.372 0.000 1.447 131 I CB -0.176 37.309 38.000 -0.857 0.000 1.622 131 I HN -0.040 nan 8.210 nan 0.000 0.435 132 A N 0.925 123.312 122.820 -0.721 0.000 1.865 132 A HA -0.209 4.113 4.320 0.003 0.000 0.217 132 A C 2.297 179.856 177.584 -0.041 0.000 1.191 132 A CA 2.906 54.736 52.037 -0.345 0.000 0.623 132 A CB -1.233 17.656 19.000 -0.186 0.000 0.826 132 A HN 0.418 nan 8.150 nan 0.000 0.444 133 T N 0.236 114.808 114.554 0.031 0.000 2.674 133 T HA -0.058 4.294 4.350 0.003 0.000 0.265 133 T C -0.150 174.590 174.700 0.066 0.000 1.039 133 T CA 1.840 64.040 62.100 0.166 0.000 1.150 133 T CB -1.161 67.912 68.868 0.342 0.000 0.864 133 T HN 0.386 nan 8.240 nan 0.000 0.427 134 P HA -0.032 nan 4.420 nan 0.000 0.218 134 P C 1.670 178.931 177.300 -0.065 0.000 1.149 134 P CA 1.054 64.012 63.100 -0.237 0.000 0.817 134 P CB -0.035 31.137 31.700 -0.879 0.000 0.785 135 Q N -0.800 119.019 119.800 0.030 0.000 2.050 135 Q HA -0.139 4.203 4.340 0.003 0.000 0.202 135 Q C 2.226 178.352 176.000 0.210 0.000 0.980 135 Q CA 1.702 57.665 55.803 0.266 0.000 0.840 135 Q CB -0.685 28.186 28.738 0.222 0.000 0.898 135 Q HN 0.145 nan 8.270 nan 0.000 0.424 136 A N 0.530 123.412 122.820 0.103 0.000 1.877 136 A HA -0.198 4.124 4.320 0.003 0.000 0.216 136 A C 1.983 179.594 177.584 0.045 0.000 1.186 136 A CA 1.204 53.270 52.037 0.050 0.000 0.620 136 A CB -0.638 18.364 19.000 0.003 0.000 0.822 136 A HN 0.261 nan 8.150 nan 0.000 0.443 137 L N -0.056 121.208 121.223 0.068 0.000 2.012 137 L HA -0.107 4.235 4.340 0.003 0.000 0.210 137 L C 2.770 179.680 176.870 0.065 0.000 1.073 137 L CA 2.071 56.973 54.840 0.103 0.000 0.748 137 L CB -1.315 40.820 42.059 0.127 0.000 0.891 137 L HN 0.409 nan 8.230 nan 0.000 0.431 138 G N -1.448 107.405 108.800 0.087 0.000 2.440 138 G HA2 -0.262 3.700 3.960 0.003 0.000 0.218 138 G HA3 -0.262 3.700 3.960 0.003 0.000 0.218 138 G C 1.538 176.312 174.900 -0.211 0.000 1.154 138 G CA 0.806 45.938 45.100 0.054 0.000 0.767 138 G HN 0.448 nan 8.290 nan 0.000 0.552 139 E N -0.180 119.861 120.200 -0.266 0.000 2.051 139 E HA -0.066 4.285 4.350 0.003 0.000 0.192 139 E C 2.646 179.170 176.600 -0.126 0.000 0.991 139 E CA 1.052 57.252 56.400 -0.333 0.000 0.799 139 E CB -0.175 29.409 29.700 -0.193 0.000 0.748 139 E HN 0.439 nan 8.360 nan 0.000 0.449 140 M N 0.316 119.911 119.600 -0.008 0.000 2.175 140 M HA -0.134 4.348 4.480 0.003 0.000 0.264 140 M C 2.210 178.597 176.300 0.145 0.000 1.063 140 M CA 1.197 56.563 55.300 0.110 0.000 1.119 140 M CB -0.139 32.587 32.600 0.211 0.000 1.377 140 M HN 0.101 nan 8.290 nan 0.000 0.415 141 L N -0.167 121.083 121.223 0.045 0.000 2.093 141 L HA -0.158 4.184 4.340 0.003 0.000 0.208 141 L C 2.348 179.206 176.870 -0.019 0.000 1.085 141 L CA 1.046 55.854 54.840 -0.053 0.000 0.755 141 L CB -0.495 41.481 42.059 -0.137 0.000 0.904 141 L HN 0.300 nan 8.230 nan 0.000 0.435 142 I N -0.315 120.232 120.570 -0.039 0.000 2.252 142 I HA -0.304 3.867 4.170 0.003 0.000 0.245 142 I C 2.424 178.623 176.117 0.136 0.000 1.102 142 I CA 1.240 62.541 61.300 0.001 0.000 1.385 142 I CB -0.158 37.776 38.000 -0.110 0.000 1.064 142 I HN 0.217 nan 8.210 nan 0.000 0.414 143 L N -0.348 120.933 121.223 0.098 0.000 2.012 143 L HA -0.243 4.099 4.340 0.003 0.000 0.210 143 L C 2.481 179.506 176.870 0.258 0.000 1.073 143 L CA 1.149 56.087 54.840 0.162 0.000 0.748 143 L CB -0.464 41.658 42.059 0.105 0.000 0.891 143 L HN 0.296 nan 8.230 nan 0.000 0.431 144 M N -0.553 119.173 119.600 0.210 0.000 2.706 144 M HA -0.131 4.351 4.480 0.003 0.000 0.251 144 M C 1.904 178.309 176.300 0.175 0.000 1.070 144 M CA 1.309 56.749 55.300 0.233 0.000 1.073 144 M CB -1.003 31.710 32.600 0.190 0.000 1.449 144 M HN 0.208 nan 8.290 nan 0.000 0.531 145 R N -1.385 119.183 120.500 0.113 0.000 2.299 145 R HA -0.052 4.289 4.340 0.003 0.000 0.197 145 R C 0.133 176.234 176.300 -0.331 0.000 0.971 145 R CA 0.581 56.606 56.100 -0.124 0.000 1.030 145 R CB 0.244 30.392 30.300 -0.254 0.000 0.932 145 R HN 0.339 nan 8.270 nan 0.000 0.477 146 Y N -0.890 119.453 120.300 0.072 0.000 2.716 146 Y HA 0.359 4.911 4.550 0.003 0.000 0.260 146 Y C 0.957 176.901 175.900 0.074 0.000 1.141 146 Y CA -0.659 57.478 58.100 0.061 0.000 1.168 146 Y CB 0.920 39.408 38.460 0.046 0.000 1.189 146 Y HN -0.048 nan 8.280 nan 0.000 0.549 147 G N -0.141 108.775 108.800 0.192 0.000 2.613 147 G HA2 0.455 4.417 3.960 0.003 0.000 0.303 147 G HA3 0.455 4.417 3.960 0.003 0.000 0.303 147 G C 0.998 175.893 174.900 -0.008 0.000 1.312 147 G CA 0.036 45.196 45.100 0.100 0.000 1.036 147 G HN 0.164 nan 8.290 nan 0.000 0.513 148 K N -0.274 119.990 120.400 -0.226 0.000 1.971 148 K HA -0.075 4.247 4.320 0.003 0.000 0.221 148 K C 1.337 177.899 176.600 -0.064 0.000 1.050 148 K CA 2.040 58.217 56.287 -0.184 0.000 0.967 148 K CB -1.175 31.162 32.500 -0.272 0.000 0.733 148 K HN 0.844 nan 8.250 nan 0.000 0.445 149 K N 0.995 121.377 120.400 -0.029 0.000 2.164 149 K HA 0.521 4.843 4.320 0.003 0.000 0.258 149 K C -2.980 173.609 176.600 -0.018 0.000 0.951 149 K CA -2.276 53.901 56.287 -0.183 0.000 0.844 149 K CB 1.884 34.057 32.500 -0.544 0.000 1.099 149 K HN -0.022 nan 8.250 nan 0.000 0.435 150 P HA 0.108 nan 4.420 nan 0.000 0.275 150 P C -0.472 176.980 177.300 0.253 0.000 1.227 150 P CA -0.402 62.763 63.100 0.108 0.000 0.781 150 P CB 0.532 32.242 31.700 0.017 0.000 0.906 151 L N 1.785 123.172 121.223 0.273 0.000 2.482 151 L HA 0.034 4.376 4.340 0.003 0.000 0.273 151 L C 1.002 177.951 176.870 0.131 0.000 1.228 151 L CA -0.011 54.966 54.840 0.229 0.000 0.827 151 L CB -0.057 41.994 42.059 -0.014 0.000 1.099 151 L HN 0.434 nan 8.230 nan 0.000 0.494 152 D N 1.037 121.503 120.400 0.110 0.000 2.487 152 D HA 0.090 4.731 4.640 0.003 0.000 0.243 152 D C 1.124 177.418 176.300 -0.011 0.000 1.154 152 D CA 0.846 54.874 54.000 0.047 0.000 0.876 152 D CB 1.238 42.056 40.800 0.030 0.000 1.161 152 D HN 0.619 nan 8.370 nan 0.000 0.478 153 E N 3.084 123.276 120.200 -0.013 0.000 2.204 153 E HA -0.117 4.234 4.350 0.003 0.000 0.195 153 E C 1.960 178.545 176.600 -0.025 0.000 0.990 153 E CA 1.495 57.880 56.400 -0.026 0.000 0.821 153 E CB -0.692 28.991 29.700 -0.028 0.000 0.750 153 E HN 0.663 nan 8.360 nan 0.000 0.477 154 A N -0.109 122.689 122.820 -0.037 0.000 1.968 154 A HA 0.235 4.557 4.320 0.003 0.000 0.217 154 A C 2.356 179.897 177.584 -0.072 0.000 1.169 154 A CA 1.460 53.472 52.037 -0.043 0.000 0.638 154 A CB -0.225 nan 19.000 nan 0.000 0.812 154 A HN 0.546 nan 8.150 nan 0.000 0.446 155 L N -0.151 121.012 121.223 -0.100 0.000 2.072 155 L HA -0.036 4.306 4.340 0.003 0.000 0.205 155 L C 2.286 179.038 176.870 -0.197 0.000 1.079 155 L CA 1.765 56.504 54.840 -0.169 0.000 0.752 155 L CB -0.510 41.466 42.059 -0.139 0.000 0.906 155 L HN 0.120 nan 8.230 nan 0.000 0.436 156 V N -0.491 119.332 119.914 -0.153 0.000 2.407 156 V HA -0.314 3.807 4.120 0.003 0.000 0.248 156 V C 2.534 178.560 176.094 -0.113 0.000 1.055 156 V CA 2.029 64.232 62.300 -0.163 0.000 1.049 156 V CB -1.025 30.727 31.823 -0.118 0.000 0.662 156 V HN 0.669 nan 8.190 nan 0.000 0.455 157 H N 0.633 119.621 119.070 -0.136 0.000 2.357 157 H HA -0.095 4.462 4.556 0.003 0.000 0.301 157 H C 2.270 177.529 175.328 -0.115 0.000 1.082 157 H CA 1.832 57.815 56.048 -0.108 0.000 1.342 157 H CB 0.010 29.717 29.762 -0.091 0.000 1.389 157 H HN 0.323 nan 8.280 nan 0.000 0.511 158 K N -0.182 120.130 120.400 -0.146 0.000 2.097 158 K HA -0.095 4.226 4.320 0.003 0.000 0.206 158 K C 2.178 178.663 176.600 -0.191 0.000 1.049 158 K CA 1.358 57.491 56.287 -0.257 0.000 0.933 158 K CB 0.015 32.162 32.500 -0.589 0.000 0.717 158 K HN 0.295 nan 8.250 nan 0.000 0.442 159 L N 0.532 121.646 121.223 -0.181 0.000 2.072 159 L HA -0.141 4.201 4.340 0.003 0.000 0.205 159 L C 2.684 179.525 176.870 -0.047 0.000 1.079 159 L CA 1.467 56.283 54.840 -0.040 0.000 0.752 159 L CB -0.856 41.139 42.059 -0.107 0.000 0.906 159 L HN 0.360 nan 8.230 nan 0.000 0.436 160 T N -3.569 110.901 114.554 -0.140 0.000 2.833 160 T HA -0.151 4.200 4.350 0.003 0.000 0.269 160 T C 1.692 176.298 174.700 -0.156 0.000 1.054 160 T CA 0.886 62.901 62.100 -0.140 0.000 1.135 160 T CB -0.185 68.576 68.868 -0.178 0.000 0.869 160 T HN 0.201 nan 8.240 nan 0.000 0.466 161 E N 1.118 121.188 120.200 -0.217 0.000 2.107 161 E HA -0.019 4.333 4.350 0.003 0.000 0.191 161 E C 2.356 178.936 176.600 -0.034 0.000 0.982 161 E CA 0.781 57.085 56.400 -0.160 0.000 0.809 161 E CB -0.305 29.288 29.700 -0.178 0.000 0.756 161 E HN 0.381 nan 8.360 nan 0.000 0.459 162 R N 0.602 121.130 120.500 0.045 0.000 2.285 162 R HA 0.060 4.401 4.340 0.003 0.000 0.213 162 R C 1.900 178.234 176.300 0.056 0.000 1.068 162 R CA 0.700 56.859 56.100 0.098 0.000 1.004 162 R CB -0.365 30.073 30.300 0.230 0.000 0.873 162 R HN 0.124 nan 8.270 nan 0.000 0.467 163 M N -0.140 119.470 119.600 0.016 0.000 2.595 163 M HA 0.038 4.519 4.480 0.003 0.000 0.248 163 M C 0.258 176.546 176.300 -0.020 0.000 1.119 163 M CA 0.742 56.031 55.300 -0.019 0.000 1.079 163 M CB 0.306 32.897 32.600 -0.015 0.000 1.472 163 M HN -0.153 nan 8.290 nan 0.000 0.501 164 K N 1.972 122.358 120.400 -0.022 0.000 2.449 164 K HA 0.153 4.475 4.320 0.003 0.000 0.237 164 K C -0.650 175.986 176.600 0.060 0.000 1.265 164 K CA 0.308 56.584 56.287 -0.019 0.000 1.193 164 K CB -0.162 32.302 32.500 -0.061 0.000 1.515 164 K HN 0.248 nan 8.250 nan 0.000 0.259 165 R N 0.518 121.100 120.500 0.137 0.000 2.514 165 R HA 0.397 4.739 4.340 0.003 0.000 0.296 165 R C -0.698 175.775 176.300 0.289 0.000 1.012 165 R CA -0.791 55.401 56.100 0.153 0.000 0.897 165 R CB 2.136 32.483 30.300 0.080 0.000 1.184 165 R HN 0.527 nan 8.270 nan 0.000 0.440 166 G N 2.288 111.245 108.800 0.262 0.000 2.906 166 G HA2 -0.135 3.827 3.960 0.003 0.000 0.686 166 G HA3 -0.135 3.827 3.960 0.003 0.000 0.686 166 G C -1.081 173.967 174.900 0.248 0.000 1.170 166 G CA -1.015 44.241 45.100 0.261 0.000 0.775 166 G HN 0.554 nan 8.290 nan 0.000 0.630 167 E N 4.299 124.547 120.200 0.081 0.000 2.235 167 E HA 0.337 4.689 4.350 0.003 0.000 0.252 167 E C -1.530 175.004 176.600 -0.110 0.000 0.886 167 E CA -1.934 54.483 56.400 0.029 0.000 0.767 167 E CB 2.703 32.433 29.700 0.050 0.000 1.205 167 E HN 0.324 nan 8.360 nan 0.000 0.421 168 P HA -0.234 nan 4.420 nan 0.000 0.216 168 P C 0.460 177.651 177.300 -0.182 0.000 1.150 168 P CA 1.412 64.347 63.100 -0.275 0.000 0.843 168 P CB 0.392 31.813 31.700 -0.466 0.000 0.787 169 E N 0.039 120.176 120.200 -0.105 0.000 2.338 169 E HA -0.115 4.236 4.350 0.003 0.000 0.197 169 E C 1.641 178.177 176.600 -0.107 0.000 1.007 169 E CA 0.887 57.224 56.400 -0.106 0.000 0.849 169 E CB -0.607 29.087 29.700 -0.009 0.000 0.774 169 E HN 0.293 nan 8.360 nan 0.000 0.506 170 K N 0.218 120.557 120.400 -0.100 0.000 2.404 170 K HA 0.163 4.485 4.320 0.003 0.000 0.194 170 K C 0.254 176.766 176.600 -0.147 0.000 1.023 170 K CA 0.248 56.466 56.287 -0.116 0.000 1.094 170 K CB 0.547 32.979 32.500 -0.114 0.000 0.841 170 K HN -0.028 nan 8.250 nan 0.000 0.523 171 K N 0.823 121.143 120.400 -0.133 0.000 2.352 171 K HA 0.353 4.674 4.320 0.003 0.000 0.240 171 K C 0.162 176.718 176.600 -0.073 0.000 1.017 171 K CA -0.409 55.809 56.287 -0.115 0.000 0.851 171 K CB 1.818 34.270 32.500 -0.079 0.000 1.261 171 K HN 0.065 nan 8.250 nan 0.000 0.451 172 T N -3.123 111.408 114.554 -0.039 0.000 2.916 172 T HA 0.619 4.970 4.350 0.003 0.000 0.292 172 T C 0.791 175.506 174.700 0.025 0.000 1.055 172 T CA 0.100 62.194 62.100 -0.011 0.000 1.009 172 T CB 1.791 70.634 68.868 -0.042 0.000 1.118 172 T HN 0.721 nan 8.240 nan 0.000 0.497 173 G N 1.782 110.607 108.800 0.042 0.000 2.672 173 G HA2 -0.208 3.754 3.960 0.003 0.000 0.324 173 G HA3 -0.208 3.754 3.960 0.003 0.000 0.324 173 G C 1.384 176.397 174.900 0.188 0.000 1.286 173 G CA 1.414 46.572 45.100 0.098 0.000 1.004 173 G HN 1.876 nan 8.290 nan 0.000 0.548 174 A N -0.501 122.477 122.820 0.263 0.000 1.940 174 A HA -0.109 4.212 4.320 0.003 0.000 0.219 174 A C 2.218 179.959 177.584 0.261 0.000 1.176 174 A CA 2.507 54.724 52.037 0.299 0.000 0.631 174 A CB -0.521 18.736 19.000 0.427 0.000 0.814 174 A HN 0.655 nan 8.150 nan 0.000 0.446 175 N N -0.298 118.554 118.700 0.254 0.000 2.244 175 N HA -0.126 4.616 4.740 0.003 0.000 0.183 175 N C 1.665 177.260 175.510 0.142 0.000 1.016 175 N CA 1.460 54.681 53.050 0.286 0.000 0.866 175 N CB -0.297 38.408 38.487 0.364 0.000 0.980 175 N HN 0.698 nan 8.380 nan 0.000 0.430 176 K N 0.794 121.237 120.400 0.073 0.000 2.062 176 K HA -0.087 4.235 4.320 0.003 0.000 0.205 176 K C 1.909 178.468 176.600 -0.070 0.000 1.051 176 K CA 1.615 57.885 56.287 -0.028 0.000 0.941 176 K CB -0.101 32.386 32.500 -0.021 0.000 0.719 176 K HN 0.282 nan 8.250 nan 0.000 0.440 177 T N -0.751 113.807 114.554 0.007 0.000 2.746 177 T HA -0.132 4.220 4.350 0.003 0.000 0.267 177 T C 1.531 176.175 174.700 -0.093 0.000 1.039 177 T CA 1.438 63.513 62.100 -0.043 0.000 1.142 177 T CB -0.385 68.509 68.868 0.043 0.000 0.866 177 T HN 0.138 nan 8.240 nan 0.000 0.444 178 D N 1.215 121.607 120.400 -0.014 0.000 2.117 178 D HA 0.042 4.683 4.640 0.003 0.000 0.197 178 D C 2.103 178.336 176.300 -0.111 0.000 0.987 178 D CA 0.802 54.791 54.000 -0.018 0.000 0.829 178 D CB -0.255 40.588 40.800 0.071 0.000 0.961 178 D HN 0.459 nan 8.370 nan 0.000 0.460 179 I N 0.916 121.387 120.570 -0.166 0.000 2.233 179 I HA -0.206 3.966 4.170 0.003 0.000 0.243 179 I C 2.478 178.178 176.117 -0.696 0.000 1.093 179 I CA 0.833 61.889 61.300 -0.406 0.000 1.380 179 I CB -0.246 37.594 38.000 -0.266 0.000 1.067 179 I HN -0.093 nan 8.210 nan 0.000 0.413 180 A N 0.853 123.374 122.820 -0.499 0.000 1.940 180 A HA -0.243 4.078 4.320 0.003 0.000 0.219 180 A C 2.259 179.644 177.584 -0.331 0.000 1.176 180 A CA 1.565 53.324 52.037 -0.464 0.000 0.631 180 A CB -0.804 17.956 19.000 -0.400 0.000 0.814 180 A HN 0.391 nan 8.150 nan 0.000 0.446 181 L N 0.304 121.323 121.223 -0.340 0.000 2.012 181 L HA -0.226 4.116 4.340 0.003 0.000 0.210 181 L C 2.453 179.053 176.870 -0.450 0.000 1.073 181 L CA 2.978 57.600 54.840 -0.364 0.000 0.748 181 L CB -0.836 41.049 42.059 -0.291 0.000 0.891 181 L HN 0.763 nan 8.230 nan 0.000 0.431 182 H N -3.940 115.013 119.070 -0.194 0.000 2.529 182 H HA -0.066 4.492 4.556 0.003 0.000 0.277 182 H C 1.905 177.320 175.328 0.145 0.000 0.999 182 H CA 1.306 57.325 56.048 -0.047 0.000 1.256 182 H CB -1.099 28.756 29.762 0.155 0.000 1.402 182 H HN 0.465 nan 8.280 nan 0.000 0.566 183 Y N -0.493 119.723 120.300 -0.139 0.000 2.242 183 Y HA -0.180 4.371 4.550 0.003 0.000 0.291 183 Y C 2.131 178.055 175.900 0.040 0.000 1.137 183 Y CA 0.714 58.826 58.100 0.020 0.000 1.181 183 Y CB -0.153 38.306 38.460 -0.001 0.000 0.989 183 Y HN 0.314 nan 8.280 nan 0.000 0.527 184 F N -0.100 119.833 119.950 -0.029 0.000 2.095 184 F HA -0.319 4.210 4.527 0.003 0.000 0.298 184 F C 1.831 177.637 175.800 0.010 0.000 1.104 184 F CA 1.528 59.466 58.000 -0.102 0.000 1.232 184 F CB -1.051 37.794 39.000 -0.258 0.000 0.987 184 F HN 0.069 nan 8.300 nan 0.000 0.475 185 Y N -0.091 120.167 120.300 -0.071 0.000 2.128 185 Y HA -0.282 4.270 4.550 0.003 0.000 0.284 185 Y C 2.839 178.636 175.900 -0.172 0.000 1.154 185 Y CA 1.177 59.156 58.100 -0.202 0.000 1.149 185 Y CB -0.602 37.870 38.460 0.020 0.000 0.976 185 Y HN 0.020 nan 8.280 nan 0.000 0.505 186 R N 0.849 121.415 120.500 0.109 0.000 2.091 186 R HA -0.201 4.141 4.340 0.003 0.000 0.238 186 R C 2.379 178.648 176.300 -0.052 0.000 1.136 186 R CA 1.380 57.489 56.100 0.014 0.000 0.959 186 R CB -0.481 29.819 30.300 -0.001 0.000 0.856 186 R HN 0.307 nan 8.270 nan 0.000 0.437 187 A N 0.693 123.475 122.820 -0.064 0.000 1.933 187 A HA -0.125 4.196 4.320 0.003 0.000 0.218 187 A C 2.142 179.651 177.584 -0.124 0.000 1.175 187 A CA 1.311 53.301 52.037 -0.077 0.000 0.628 187 A CB -0.441 18.530 19.000 -0.048 0.000 0.814 187 A HN 0.368 nan 8.150 nan 0.000 0.444 188 L N -1.029 120.069 121.223 -0.209 0.000 2.095 188 L HA -0.077 4.265 4.340 0.003 0.000 0.204 188 L C 2.477 179.272 176.870 -0.125 0.000 1.080 188 L CA 0.746 55.460 54.840 -0.210 0.000 0.759 188 L CB -0.482 41.375 42.059 -0.337 0.000 0.914 188 L HN 0.332 nan 8.230 nan 0.000 0.439 189 L N -0.329 120.831 121.223 -0.105 0.000 2.131 189 L HA -0.152 4.190 4.340 0.003 0.000 0.210 189 L C 2.268 179.102 176.870 -0.061 0.000 1.092 189 L CA 1.736 56.530 54.840 -0.078 0.000 0.759 189 L CB -0.640 41.379 42.059 -0.068 0.000 0.903 189 L HN 0.433 nan 8.230 nan 0.000 0.435 190 T N -5.305 109.216 114.554 -0.055 0.000 3.145 190 T HA 0.142 4.494 4.350 0.003 0.000 0.255 190 T C 0.787 175.471 174.700 -0.026 0.000 1.039 190 T CA 0.181 62.262 62.100 -0.031 0.000 0.928 190 T CB 0.228 69.078 68.868 -0.029 0.000 1.029 190 T HN 0.152 nan 8.240 nan 0.000 0.554 191 S N 1.793 117.470 115.700 -0.037 0.000 3.549 191 S HA -0.145 4.326 4.470 0.003 0.000 0.366 191 S C -0.185 174.409 174.600 -0.010 0.000 1.012 191 S CA 0.813 58.998 58.200 -0.025 0.000 1.141 191 S CB -1.545 61.645 63.200 -0.017 0.000 0.910 191 S HN 0.812 nan 8.310 nan 0.000 0.471 192 D N 0.953 121.344 120.400 -0.015 0.000 2.499 192 D HA 0.225 4.867 4.640 0.003 0.000 0.225 192 D C 1.166 177.479 176.300 0.022 0.000 1.124 192 D CA -0.558 53.443 54.000 0.002 0.000 0.938 192 D CB 0.526 41.320 40.800 -0.010 0.000 1.014 192 D HN 0.152 nan 8.370 nan 0.000 0.517 193 E N 1.952 122.180 120.200 0.047 0.000 2.209 193 E HA -0.163 4.189 4.350 0.003 0.000 0.196 193 E C 1.650 178.325 176.600 0.124 0.000 0.993 193 E CA 0.699 57.156 56.400 0.095 0.000 0.819 193 E CB -0.070 29.704 29.700 0.123 0.000 0.745 193 E HN 0.586 nan 8.360 nan 0.000 0.477 194 A N 1.398 124.274 122.820 0.094 0.000 1.872 194 A HA -0.070 4.251 4.320 0.003 0.000 0.214 194 A C 2.278 179.945 177.584 0.138 0.000 1.187 194 A CA 0.866 52.967 52.037 0.107 0.000 0.614 194 A CB -0.682 18.354 19.000 0.059 0.000 0.826 194 A HN 0.263 nan 8.150 nan 0.000 0.442 195 L N -0.858 120.425 121.223 0.100 0.000 2.083 195 L HA -0.150 4.191 4.340 0.003 0.000 0.209 195 L C 2.463 179.456 176.870 0.206 0.000 1.083 195 L CA 1.569 56.495 54.840 0.144 0.000 0.752 195 L CB -0.235 41.855 42.059 0.052 0.000 0.899 195 L HN 0.461 nan 8.230 nan 0.000 0.433 196 L N -0.624 120.664 121.223 0.108 0.000 2.017 196 L HA -0.207 4.135 4.340 0.003 0.000 0.208 196 L C 2.537 179.452 176.870 0.074 0.000 1.073 196 L CA 2.099 56.961 54.840 0.036 0.000 0.745 196 L CB -0.641 41.358 42.059 -0.101 0.000 0.894 196 L HN 0.135 nan 8.230 nan 0.000 0.432 197 S N -0.798 115.022 115.700 0.200 0.000 2.382 197 S HA -0.189 4.283 4.470 0.003 0.000 0.228 197 S C 1.767 176.496 174.600 0.215 0.000 1.027 197 S CA 1.507 59.884 58.200 0.295 0.000 0.991 197 S CB -0.660 62.730 63.200 0.318 0.000 0.823 197 S HN 0.562 nan 8.310 nan 0.000 0.469 198 F N 2.648 122.651 119.950 0.088 0.000 2.084 198 F HA -0.048 4.481 4.527 0.003 0.000 0.296 198 F C 2.321 178.137 175.800 0.027 0.000 1.111 198 F CA 1.010 59.046 58.000 0.061 0.000 1.224 198 F CB -0.922 38.124 39.000 0.078 0.000 0.991 198 F HN 0.162 nan 8.300 nan 0.000 0.471 199 A N 0.234 123.073 122.820 0.030 0.000 1.865 199 A HA -0.181 4.141 4.320 0.003 0.000 0.217 199 A C 2.330 179.752 177.584 -0.271 0.000 1.191 199 A CA 2.404 54.374 52.037 -0.111 0.000 0.623 199 A CB -1.509 17.568 19.000 0.129 0.000 0.826 199 A HN 0.293 nan 8.150 nan 0.000 0.444 200 V N 0.361 120.157 119.914 -0.197 0.000 2.332 200 V HA -0.309 3.813 4.120 0.003 0.000 0.248 200 V C 2.582 178.489 176.094 -0.313 0.000 1.055 200 V CA 2.532 64.622 62.300 -0.350 0.000 1.038 200 V CB -0.696 31.050 31.823 -0.128 0.000 0.651 200 V HN 0.713 nan 8.190 nan 0.000 0.450 201 K N -0.425 119.887 120.400 -0.147 0.000 2.057 201 K HA -0.193 4.128 4.320 0.003 0.000 0.206 201 K C 2.200 178.716 176.600 -0.139 0.000 1.050 201 K CA 1.406 57.654 56.287 -0.065 0.000 0.935 201 K CB -0.071 32.404 32.500 -0.040 0.000 0.715 201 K HN 0.377 nan 8.250 nan 0.000 0.439 202 E N 0.940 120.914 120.200 -0.376 0.000 2.072 202 E HA -0.179 4.172 4.350 0.003 0.000 0.191 202 E C 2.049 178.524 176.600 -0.209 0.000 0.985 202 E CA 0.764 56.929 56.400 -0.390 0.000 0.801 202 E CB -0.153 29.137 29.700 -0.684 0.000 0.750 202 E HN 0.352 nan 8.360 nan 0.000 0.452 203 L N -0.356 120.688 121.223 -0.298 0.000 2.056 203 L HA -0.065 4.277 4.340 0.003 0.000 0.207 203 L C 2.047 178.889 176.870 -0.047 0.000 1.078 203 L CA 1.022 55.701 54.840 -0.268 0.000 0.749 203 L CB -0.126 41.621 42.059 -0.520 0.000 0.901 203 L HN 0.069 nan 8.230 nan 0.000 0.433 204 F N -2.447 117.459 119.950 -0.073 0.000 2.811 204 F HA -0.129 4.400 4.527 0.003 0.000 0.301 204 F C 1.986 177.795 175.800 0.016 0.000 1.151 204 F CA -0.336 57.635 58.000 -0.048 0.000 1.412 204 F CB 0.009 38.969 39.000 -0.066 0.000 1.113 204 F HN 0.161 nan 8.300 nan 0.000 0.579 205 Y N 2.674 123.026 120.300 0.086 0.000 2.128 205 Y HA -0.135 4.417 4.550 0.003 0.000 0.284 205 Y C -1.020 174.894 175.900 0.024 0.000 1.154 205 Y CA 1.502 59.616 58.100 0.023 0.000 1.149 205 Y CB -1.606 36.828 38.460 -0.043 0.000 0.976 205 Y HN -0.090 nan 8.280 nan 0.000 0.505 206 P HA -0.079 nan 4.420 nan 0.000 0.234 206 P C 0.015 177.283 177.300 -0.054 0.000 1.167 206 P CA 0.935 64.001 63.100 -0.057 0.000 0.763 206 P CB -0.047 31.720 31.700 0.111 0.000 0.835 207 V N 1.515 121.463 119.914 0.058 0.000 1.935 207 V HA 0.050 4.172 4.120 0.003 0.000 0.262 207 V C 0.557 176.505 176.094 -0.243 0.000 1.726 207 V CA 0.487 62.813 62.300 0.043 0.000 1.656 207 V CB -2.010 29.834 31.823 0.035 0.000 1.532 207 V HN 0.287 nan 8.190 nan 0.000 0.509 208 Q N 0.287 119.847 119.800 -0.400 0.000 2.522 208 Q HA 0.558 4.900 4.340 0.003 0.000 0.285 208 Q C -1.376 174.248 176.000 -0.627 0.000 0.982 208 Q CA -0.975 54.483 55.803 -0.574 0.000 0.805 208 Q CB 1.310 29.792 28.738 -0.426 0.000 1.457 208 Q HN 0.194 nan 8.270 nan 0.000 0.394 209 F N 1.265 120.924 119.950 -0.485 0.000 2.456 209 F HA 0.497 5.026 4.527 0.003 0.000 0.358 209 F C 0.573 176.024 175.800 -0.582 0.000 1.095 209 F CA -0.608 56.913 58.000 -0.799 0.000 1.216 209 F CB 1.344 39.398 39.000 -1.576 0.000 1.125 209 F HN 0.463 nan 8.300 nan 0.000 0.549 210 V N 0.088 119.891 119.914 -0.185 0.000 3.074 210 V HA 0.452 4.574 4.120 0.003 0.000 0.314 210 V C -0.987 175.253 176.094 0.243 0.000 1.117 210 V CA -0.918 61.410 62.300 0.047 0.000 1.014 210 V CB 1.907 33.699 31.823 -0.052 0.000 1.057 210 V HN 0.846 nan 8.190 nan 0.000 0.438 211 H N 1.696 120.872 119.070 0.176 0.000 2.685 211 H HA 0.379 4.936 4.556 0.003 0.000 0.286 211 H C -0.093 175.327 175.328 0.152 0.000 1.102 211 H CA -0.170 55.964 56.048 0.143 0.000 1.254 211 H CB 0.171 30.015 29.762 0.136 0.000 1.397 211 H HN 0.860 nan 8.280 nan 0.000 0.473 212 Y N 0.901 121.233 120.300 0.054 0.000 4.776 212 Y HA -0.419 4.132 4.550 0.003 0.000 0.268 212 Y C 0.806 176.651 175.900 -0.092 0.000 0.987 212 Y CA 1.521 59.572 58.100 -0.081 0.000 1.944 212 Y CB -0.942 37.392 38.460 -0.211 0.000 1.281 212 Y HN 0.717 nan 8.280 nan 0.000 0.480 213 E N 2.173 122.400 120.200 0.045 0.000 2.374 213 E HA 0.278 4.630 4.350 0.003 0.000 0.260 213 E C -0.189 176.352 176.600 -0.097 0.000 1.101 213 E CA -0.539 55.854 56.400 -0.012 0.000 0.907 213 E CB 0.509 30.209 29.700 -0.001 0.000 1.014 213 E HN 0.300 nan 8.360 nan 0.000 0.427 214 E N 0.657 120.782 120.200 -0.124 0.000 2.568 214 E HA 0.206 4.558 4.350 0.003 0.000 0.262 214 E C 0.338 176.736 176.600 -0.337 0.000 0.961 214 E CA 1.171 57.433 56.400 -0.230 0.000 0.945 214 E CB 0.247 29.841 29.700 -0.176 0.000 0.924 214 E HN 0.776 nan 8.360 nan 0.000 0.467 215 G N 1.455 109.870 108.800 -0.642 0.000 2.298 215 G HA2 -0.081 3.881 3.960 0.003 0.000 0.309 215 G HA3 -0.081 3.881 3.960 0.003 0.000 0.309 215 G C -1.461 172.890 174.900 -0.916 0.000 1.279 215 G CA -0.845 43.773 45.100 -0.804 0.000 1.042 215 G HN 0.435 nan 8.290 nan 0.000 0.480 216 L N 1.241 122.096 121.223 -0.614 0.000 2.360 216 L HA 0.534 4.876 4.340 0.003 0.000 0.276 216 L C 0.671 177.380 176.870 -0.268 0.000 1.121 216 L CA -0.253 54.348 54.840 -0.400 0.000 0.845 216 L CB 0.766 42.599 42.059 -0.378 0.000 1.143 216 L HN 0.593 nan 8.230 nan 0.000 0.452 217 Q N 3.557 123.238 119.800 -0.198 0.000 2.199 217 Q HA 0.106 4.448 4.340 0.003 0.000 0.232 217 Q C 0.433 176.280 176.000 -0.255 0.000 0.969 217 Q CA -0.256 55.432 55.803 -0.191 0.000 0.925 217 Q CB 0.437 29.037 28.738 -0.229 0.000 1.198 217 Q HN 0.666 nan 8.270 nan 0.000 0.494 218 Y N 0.956 121.030 120.300 -0.377 0.000 2.352 218 Y HA -0.178 4.374 4.550 0.003 0.000 0.292 218 Y C 1.642 177.239 175.900 -0.504 0.000 1.136 218 Y CA 1.581 59.295 58.100 -0.644 0.000 1.227 218 Y CB 0.166 38.225 38.460 -0.668 0.000 0.991 218 Y HN 0.631 nan 8.280 nan 0.000 0.545 219 D N -2.403 117.708 120.400 -0.482 0.000 2.328 219 D HA -0.162 4.480 4.640 0.003 0.000 0.226 219 D C -0.009 176.353 176.300 0.103 0.000 1.066 219 D CA 0.059 53.628 54.000 -0.719 0.000 0.861 219 D CB -0.824 38.907 40.800 -1.781 0.000 0.912 219 D HN 0.435 nan 8.370 nan 0.000 0.521 220 Y N -0.320 120.012 120.300 0.053 0.000 4.841 220 Y HA -0.316 4.236 4.550 0.003 0.000 0.242 220 Y C 0.894 177.138 175.900 0.573 0.000 1.002 220 Y CA 0.634 58.947 58.100 0.355 0.000 2.011 220 Y CB -2.233 36.420 38.460 0.321 0.000 1.554 220 Y HN 0.250 nan 8.280 nan 0.000 0.618 221 S N -0.721 115.288 115.700 0.516 0.000 2.655 221 S HA 0.566 5.038 4.470 0.003 0.000 0.265 221 S C -0.736 174.003 174.600 0.232 0.000 1.240 221 S CA -0.293 58.084 58.200 0.295 0.000 0.986 221 S CB 1.829 65.052 63.200 0.038 0.000 0.985 221 S HN 0.326 nan 8.310 nan 0.000 0.562 222 Y N 0.002 120.324 120.300 0.036 0.000 2.373 222 Y HA 0.633 5.184 4.550 0.003 0.000 0.336 222 Y C -1.455 174.386 175.900 -0.097 0.000 0.979 222 Y CA -0.999 57.037 58.100 -0.108 0.000 1.080 222 Y CB 1.102 39.477 38.460 -0.141 0.000 1.190 222 Y HN 0.720 nan 8.280 nan 0.000 0.446 223 L N 5.716 126.558 121.223 -0.636 0.000 2.362 223 L HA 0.677 5.019 4.340 0.003 0.000 0.271 223 L C -1.059 175.536 176.870 -0.457 0.000 1.002 223 L CA -0.974 53.648 54.840 -0.362 0.000 0.818 223 L CB 2.197 44.118 42.059 -0.229 0.000 1.298 223 L HN 0.606 nan 8.230 nan 0.000 0.420 224 Q N 1.378 121.058 119.800 -0.200 0.000 2.309 224 Q HA 0.382 4.723 4.340 0.003 0.000 0.273 224 Q C -1.194 174.744 176.000 -0.104 0.000 1.040 224 Q CA -0.428 55.235 55.803 -0.234 0.000 0.834 224 Q CB 1.330 29.868 28.738 -0.334 0.000 1.345 224 Q HN 0.614 nan 8.270 nan 0.000 0.414 225 H N 2.131 121.074 119.070 -0.212 0.000 3.054 225 H HA -0.083 4.475 4.556 0.003 0.000 0.354 225 H C 0.236 175.541 175.328 -0.039 0.000 1.271 225 H CA 0.210 56.192 56.048 -0.110 0.000 1.210 225 H CB -1.104 28.657 29.762 -0.003 0.000 1.562 225 H HN 1.255 nan 8.280 nan 0.000 0.440 226 G N 1.274 110.097 108.800 0.038 0.000 2.796 226 G HA2 -0.229 3.733 3.960 0.003 0.000 0.226 226 G HA3 -0.229 3.733 3.960 0.003 0.000 0.226 226 G C -2.391 172.520 174.900 0.018 0.000 1.381 226 G CA -0.407 44.708 45.100 0.025 0.000 0.867 226 G HN 0.317 nan 8.290 nan 0.000 0.552 227 P HA 0.140 nan 4.420 nan 0.000 0.230 227 P C -0.328 177.003 177.300 0.053 0.000 1.791 227 P CA 0.515 63.650 63.100 0.058 0.000 1.020 227 P CB 0.202 31.992 31.700 0.149 0.000 1.977 228 Q N 2.098 121.914 119.800 0.027 0.000 2.333 228 Q HA 0.311 4.653 4.340 0.003 0.000 0.265 228 Q C -0.671 175.333 176.000 0.007 0.000 0.989 228 Q CA -1.197 54.628 55.803 0.037 0.000 0.842 228 Q CB 1.252 30.041 28.738 0.085 0.000 1.262 228 Q HN 0.111 nan 8.270 nan 0.000 0.451 229 L N 4.320 125.532 121.223 -0.018 0.000 2.667 229 L HA -0.088 4.254 4.340 0.003 0.000 0.278 229 L C -0.673 176.187 176.870 -0.016 0.000 1.217 229 L CA 1.520 56.318 54.840 -0.070 0.000 0.935 229 L CB 0.207 42.165 42.059 -0.168 0.000 1.193 229 L HN 0.702 nan 8.230 nan 0.000 0.493 230 Q N 6.120 125.954 119.800 0.057 0.000 3.007 230 Q HA 0.152 4.494 4.340 0.003 0.000 0.321 230 Q C 0.724 176.875 176.000 0.251 0.000 0.784 230 Q CA -0.352 55.558 55.803 0.178 0.000 0.990 230 Q CB 0.599 29.542 28.738 0.341 0.000 1.493 230 Q HN 0.673 nan 8.270 nan 0.000 0.382 231 I N -0.449 120.190 120.570 0.114 0.000 2.226 231 I HA -0.152 4.020 4.170 0.003 0.000 0.245 231 I C 1.556 177.857 176.117 0.307 0.000 1.100 231 I CA 1.361 62.792 61.300 0.218 0.000 1.374 231 I CB -0.436 37.555 38.000 -0.015 0.000 1.057 231 I HN 0.191 nan 8.210 nan 0.000 0.413 232 S N -1.436 114.380 115.700 0.194 0.000 2.496 232 S HA 0.407 4.879 4.470 0.003 0.000 0.260 232 S C 1.011 175.693 174.600 0.137 0.000 1.122 232 S CA 0.507 58.868 58.200 0.268 0.000 1.019 232 S CB 0.920 64.222 63.200 0.170 0.000 1.226 232 S HN 0.443 nan 8.310 nan 0.000 0.502 233 S N -0.499 115.237 115.700 0.060 0.000 4.112 233 S HA -0.316 4.156 4.470 0.003 0.000 0.602 233 S C 1.086 175.615 174.600 -0.118 0.000 1.939 233 S CA 1.858 60.009 58.200 -0.082 0.000 4.230 233 S CB -2.186 60.977 63.200 -0.062 0.000 0.245 233 S HN 0.735 nan 8.310 nan 0.000 0.530 234 Y N 1.873 122.193 120.300 0.032 0.000 2.207 234 Y HA -0.017 4.534 4.550 0.003 0.000 0.287 234 Y C 2.716 178.557 175.900 -0.099 0.000 1.156 234 Y CA 1.463 59.587 58.100 0.041 0.000 1.182 234 Y CB -0.885 37.653 38.460 0.129 0.000 0.979 234 Y HN 0.623 nan 8.280 nan 0.000 0.521 235 G N -0.510 108.266 108.800 -0.040 0.000 2.432 235 G HA2 -0.229 3.733 3.960 0.003 0.000 0.219 235 G HA3 -0.229 3.733 3.960 0.003 0.000 0.219 235 G C 1.817 176.652 174.900 -0.109 0.000 1.135 235 G CA 0.885 45.724 45.100 -0.435 0.000 0.767 235 G HN 0.477 nan 8.290 nan 0.000 0.550 236 A N -0.063 122.738 122.820 -0.031 0.000 1.970 236 A HA 0.241 4.562 4.320 0.003 0.000 0.216 236 A C 2.516 180.023 177.584 -0.127 0.000 1.170 236 A CA 1.382 53.339 52.037 -0.133 0.000 0.645 236 A CB -0.255 18.739 19.000 -0.009 0.000 0.816 236 A HN 0.217 nan 8.150 nan 0.000 0.447 237 V N -0.935 118.955 119.914 -0.040 0.000 2.453 237 V HA -0.189 3.933 4.120 0.003 0.000 0.247 237 V C 2.236 178.338 176.094 0.013 0.000 1.048 237 V CA 1.863 64.170 62.300 0.012 0.000 1.049 237 V CB -0.965 30.920 31.823 0.103 0.000 0.672 237 V HN 0.658 nan 8.190 nan 0.000 0.457 238 F N 1.024 120.871 119.950 -0.171 0.000 2.095 238 F HA -0.213 4.316 4.527 0.003 0.000 0.298 238 F C 2.085 177.797 175.800 -0.148 0.000 1.104 238 F CA 1.702 59.582 58.000 -0.201 0.000 1.232 238 F CB -0.416 38.281 39.000 -0.504 0.000 0.987 238 F HN 0.074 nan 8.300 nan 0.000 0.475 239 I N -0.249 120.113 120.570 -0.346 0.000 2.179 239 I HA -0.338 3.834 4.170 0.003 0.000 0.242 239 I C 2.312 178.236 176.117 -0.322 0.000 1.088 239 I CA 1.825 62.893 61.300 -0.387 0.000 1.357 239 I CB -0.926 36.727 38.000 -0.579 0.000 1.051 239 I HN 0.187 nan 8.210 nan 0.000 0.409 240 T N 0.451 114.846 114.554 -0.266 0.000 2.652 240 T HA -0.165 4.187 4.350 0.003 0.000 0.267 240 T C 1.873 176.447 174.700 -0.210 0.000 1.039 240 T CA 1.706 63.687 62.100 -0.199 0.000 1.153 240 T CB -0.824 67.979 68.868 -0.109 0.000 0.863 240 T HN 0.594 nan 8.240 nan 0.000 0.428 241 G N 0.899 109.585 108.800 -0.191 0.000 2.433 241 G HA2 -0.184 3.778 3.960 0.003 0.000 0.216 241 G HA3 -0.184 3.778 3.960 0.003 0.000 0.216 241 G C 1.738 176.456 174.900 -0.302 0.000 1.186 241 G CA 0.972 45.949 45.100 -0.205 0.000 0.779 241 G HN 0.428 nan 8.290 nan 0.000 0.543 242 V N 0.707 120.398 119.914 -0.372 0.000 2.332 242 V HA -0.155 3.967 4.120 0.003 0.000 0.248 242 V C 2.720 178.479 176.094 -0.558 0.000 1.055 242 V CA 1.719 63.772 62.300 -0.412 0.000 1.038 242 V CB -0.497 30.925 31.823 -0.669 0.000 0.651 242 V HN 0.338 nan 8.190 nan 0.000 0.450 243 L N 1.159 121.999 121.223 -0.639 0.000 2.017 243 L HA -0.201 4.141 4.340 0.003 0.000 0.208 243 L C 2.656 179.247 176.870 -0.466 0.000 1.073 243 L CA 2.358 56.852 54.840 -0.576 0.000 0.745 243 L CB -0.866 41.011 42.059 -0.302 0.000 0.894 243 L HN 0.488 nan 8.230 nan 0.000 0.432 244 K N -1.026 119.098 120.400 -0.460 0.000 2.097 244 K HA -0.194 4.128 4.320 0.003 0.000 0.205 244 K C 2.126 178.135 176.600 -0.985 0.000 1.050 244 K CA 1.725 57.590 56.287 -0.703 0.000 0.938 244 K CB -0.978 31.213 32.500 -0.516 0.000 0.718 244 K HN 0.300 nan 8.250 nan 0.000 0.442 245 L N 1.976 122.836 121.223 -0.605 0.000 2.017 245 L HA -0.049 4.293 4.340 0.003 0.000 0.208 245 L C 2.613 179.344 176.870 -0.231 0.000 1.073 245 L CA 2.038 56.574 54.840 -0.506 0.000 0.745 245 L CB -0.858 40.826 42.059 -0.625 0.000 0.894 245 L HN 0.313 nan 8.230 nan 0.000 0.432 246 A N -0.432 122.326 122.820 -0.102 0.000 1.948 246 A HA -0.314 4.008 4.320 0.003 0.000 0.220 246 A C 2.191 179.711 177.584 -0.107 0.000 1.177 246 A CA 2.099 54.110 52.037 -0.043 0.000 0.636 246 A CB -1.053 17.780 19.000 -0.278 0.000 0.815 246 A HN 0.646 nan 8.150 nan 0.000 0.449 247 N N -1.297 117.258 118.700 -0.243 0.000 2.188 247 N HA -0.123 4.619 4.740 0.003 0.000 0.184 247 N C 1.517 177.020 175.510 -0.013 0.000 1.018 247 N CA 1.795 54.737 53.050 -0.181 0.000 0.858 247 N CB -0.463 37.848 38.487 -0.294 0.000 0.989 247 N HN 0.691 nan 8.380 nan 0.000 0.426 248 Y N -0.461 119.841 120.300 0.002 0.000 2.220 248 Y HA -0.070 4.482 4.550 0.003 0.000 0.291 248 Y C 1.973 177.937 175.900 0.105 0.000 1.129 248 Y CA 0.816 58.960 58.100 0.073 0.000 1.161 248 Y CB 0.111 38.641 38.460 0.117 0.000 0.997 248 Y HN 0.035 nan 8.280 nan 0.000 0.522 249 V N -0.160 119.895 119.914 0.235 0.000 3.596 249 V HA 0.121 4.243 4.120 0.003 0.000 0.289 249 V C 0.718 176.928 176.094 0.194 0.000 1.336 249 V CA -0.443 61.999 62.300 0.238 0.000 1.137 249 V CB -1.037 30.941 31.823 0.258 0.000 0.966 249 V HN 0.189 nan 8.190 nan 0.000 0.428 250 R N 0.792 121.372 120.500 0.132 0.000 2.585 250 R HA 0.056 4.398 4.340 0.003 0.000 0.275 250 R C -0.134 176.225 176.300 0.098 0.000 1.018 250 R CA 0.764 56.917 56.100 0.088 0.000 1.072 250 R CB -0.325 30.004 30.300 0.049 0.000 0.953 250 R HN 0.458 nan 8.270 nan 0.000 0.419 251 D N 0.276 120.724 120.400 0.080 0.000 2.835 251 D HA -0.153 4.488 4.640 0.003 0.000 0.230 251 D C -0.486 175.868 176.300 0.091 0.000 1.130 251 D CA 1.847 55.890 54.000 0.073 0.000 0.738 251 D CB -1.161 39.677 40.800 0.064 0.000 1.090 251 D HN 0.897 nan 8.370 nan 0.000 0.433 252 T N -4.547 110.076 114.554 0.115 0.000 2.864 252 T HA 0.540 4.892 4.350 0.003 0.000 0.299 252 T C -2.149 172.597 174.700 0.077 0.000 1.166 252 T CA -1.243 60.939 62.100 0.136 0.000 1.007 252 T CB 3.112 72.141 68.868 0.267 0.000 1.219 252 T HN -0.343 nan 8.240 nan 0.000 0.506 253 P HA -0.086 nan 4.420 nan 0.000 0.224 253 P C 0.434 177.593 177.300 -0.234 0.000 1.142 253 P CA 1.083 64.061 63.100 -0.203 0.000 0.778 253 P CB -0.266 31.221 31.700 -0.356 0.000 0.764 254 Y N -0.299 120.064 120.300 0.104 0.000 2.457 254 Y HA 0.415 4.967 4.550 0.003 0.000 0.263 254 Y C 1.607 177.612 175.900 0.174 0.000 1.164 254 Y CA -0.646 57.535 58.100 0.135 0.000 1.274 254 Y CB -0.732 37.811 38.460 0.139 0.000 1.097 254 Y HN -0.104 nan 8.280 nan 0.000 0.523 255 A N 1.056 124.012 122.820 0.227 0.000 2.561 255 A HA 0.116 4.438 4.320 0.003 0.000 0.234 255 A C 0.009 177.642 177.584 0.082 0.000 1.055 255 A CA -0.455 51.674 52.037 0.154 0.000 0.756 255 A CB -0.120 18.929 19.000 0.081 0.000 0.986 255 A HN 0.368 nan 8.150 nan 0.000 0.505 256 L N 3.069 124.259 121.223 -0.056 0.000 2.525 256 L HA 0.209 4.550 4.340 0.003 0.000 0.278 256 L C 1.168 177.922 176.870 -0.193 0.000 1.218 256 L CA 1.092 55.710 54.840 -0.370 0.000 0.878 256 L CB 0.225 41.881 42.059 -0.672 0.000 1.127 256 L HN 0.895 nan 8.230 nan 0.000 0.492 257 S N 1.800 117.394 115.700 -0.175 0.000 2.576 257 S HA 0.072 4.543 4.470 0.003 0.000 0.272 257 S C 1.437 175.994 174.600 -0.071 0.000 1.352 257 S CA 0.014 58.163 58.200 -0.084 0.000 1.021 257 S CB 0.488 63.652 63.200 -0.061 0.000 0.887 257 S HN 0.867 nan 8.310 nan 0.000 0.542 258 T N -0.210 114.331 114.554 -0.022 0.000 2.684 258 T HA -0.175 4.177 4.350 0.003 0.000 0.267 258 T C 1.285 175.995 174.700 0.016 0.000 1.036 258 T CA 1.592 63.696 62.100 0.008 0.000 1.148 258 T CB -0.910 67.974 68.868 0.025 0.000 0.863 258 T HN 0.705 nan 8.240 nan 0.000 0.436 259 E N 1.812 122.016 120.200 0.006 0.000 2.035 259 E HA -0.117 4.235 4.350 0.003 0.000 0.204 259 E C 2.345 178.940 176.600 -0.008 0.000 1.025 259 E CA 1.595 58.002 56.400 0.012 0.000 0.835 259 E CB -0.287 29.409 29.700 -0.007 0.000 0.764 259 E HN 0.585 nan 8.360 nan 0.000 0.457 260 K N 0.181 120.539 120.400 -0.069 0.000 2.097 260 K HA -0.080 4.242 4.320 0.003 0.000 0.206 260 K C 2.072 178.650 176.600 -0.035 0.000 1.049 260 K CA 0.718 56.942 56.287 -0.105 0.000 0.933 260 K CB -0.220 32.146 32.500 -0.224 0.000 0.717 260 K HN 0.099 nan 8.250 nan 0.000 0.442 261 L N 1.191 122.392 121.223 -0.036 0.000 2.046 261 L HA -0.124 4.218 4.340 0.003 0.000 0.208 261 L C 2.215 179.213 176.870 0.212 0.000 1.077 261 L CA 1.881 56.760 54.840 0.065 0.000 0.747 261 L CB -1.049 41.031 42.059 0.034 0.000 0.896 261 L HN 0.120 nan 8.230 nan 0.000 0.432 262 A N 0.092 123.008 122.820 0.161 0.000 1.898 262 A HA -0.177 4.144 4.320 0.003 0.000 0.216 262 A C 2.227 179.935 177.584 0.207 0.000 1.181 262 A CA 1.650 53.799 52.037 0.187 0.000 0.620 262 A CB -0.535 18.564 19.000 0.164 0.000 0.819 262 A HN 0.496 nan 8.150 nan 0.000 0.442 263 I N -1.680 119.012 120.570 0.203 0.000 2.252 263 I HA -0.208 3.964 4.170 0.003 0.000 0.245 263 I C 2.381 178.702 176.117 0.339 0.000 1.102 263 I CA 1.598 63.059 61.300 0.268 0.000 1.385 263 I CB -0.367 37.633 38.000 -0.000 0.000 1.064 263 I HN 0.492 nan 8.210 nan 0.000 0.414 264 F N 1.144 121.182 119.950 0.146 0.000 2.102 264 F HA -0.259 4.270 4.527 0.003 0.000 0.298 264 F C 2.761 178.726 175.800 0.276 0.000 1.105 264 F CA 1.878 59.976 58.000 0.164 0.000 1.239 264 F CB -0.509 38.477 39.000 -0.024 0.000 0.991 264 F HN -0.041 nan 8.300 nan 0.000 0.474 265 S N 0.099 115.860 115.700 0.101 0.000 2.359 265 S HA -0.288 4.184 4.470 0.003 0.000 0.224 265 S C 2.274 176.805 174.600 -0.116 0.000 1.035 265 S CA 1.811 60.039 58.200 0.047 0.000 1.018 265 S CB -0.612 62.698 63.200 0.184 0.000 0.876 265 S HN 0.573 nan 8.310 nan 0.000 0.448 266 K N -0.894 119.474 120.400 -0.052 0.000 2.057 266 K HA -0.159 4.162 4.320 0.003 0.000 0.206 266 K C 2.099 178.660 176.600 -0.066 0.000 1.050 266 K CA 1.577 57.773 56.287 -0.151 0.000 0.935 266 K CB -0.502 31.915 32.500 -0.138 0.000 0.715 266 K HN 0.537 nan 8.250 nan 0.000 0.439 267 Y N 0.421 120.812 120.300 0.153 0.000 2.128 267 Y HA -0.311 4.240 4.550 0.003 0.000 0.284 267 Y C 1.961 177.958 175.900 0.161 0.000 1.154 267 Y CA 1.899 60.171 58.100 0.287 0.000 1.149 267 Y CB -0.629 38.049 38.460 0.364 0.000 0.976 267 Y HN 0.202 nan 8.280 nan 0.000 0.505 268 Y N 0.483 120.612 120.300 -0.286 0.000 2.097 268 Y HA -0.314 4.237 4.550 0.003 0.000 0.282 268 Y C 2.586 178.380 175.900 -0.178 0.000 1.152 268 Y CA 1.547 59.469 58.100 -0.297 0.000 1.136 268 Y CB -0.087 38.151 38.460 -0.369 0.000 0.975 268 Y HN 0.107 nan 8.280 nan 0.000 0.498 269 R N -0.123 120.274 120.500 -0.172 0.000 2.057 269 R HA -0.129 4.213 4.340 0.003 0.000 0.229 269 R C 1.709 177.814 176.300 -0.325 0.000 1.136 269 R CA 1.556 57.431 56.100 -0.374 0.000 0.952 269 R CB -0.229 29.681 30.300 -0.649 0.000 0.848 269 R HN 0.350 nan 8.270 nan 0.000 0.430 270 D N -0.305 119.895 120.400 -0.333 0.000 2.194 270 D HA -0.004 4.638 4.640 0.003 0.000 0.204 270 D C 1.681 177.874 176.300 -0.179 0.000 0.964 270 D CA 1.097 54.889 54.000 -0.347 0.000 0.846 270 D CB 0.174 40.731 40.800 -0.406 0.000 0.962 270 D HN 0.043 nan 8.370 nan 0.000 0.490 271 S N -0.550 115.076 115.700 -0.124 0.000 2.433 271 S HA -0.019 4.452 4.470 0.003 0.000 0.216 271 S C 1.781 176.356 174.600 -0.042 0.000 1.031 271 S CA -0.114 58.108 58.200 0.037 0.000 0.931 271 S CB -0.279 62.907 63.200 -0.024 0.000 0.875 271 S HN 0.230 nan 8.310 nan 0.000 0.553 272 Y N 2.595 122.705 120.300 -0.318 0.000 2.089 272 Y HA -0.007 4.545 4.550 0.003 0.000 0.282 272 Y C 2.006 177.887 175.900 -0.032 0.000 1.139 272 Y CA 1.463 59.481 58.100 -0.137 0.000 1.123 272 Y CB -0.516 37.889 38.460 -0.090 0.000 0.980 272 Y HN 0.095 nan 8.280 nan 0.000 0.493 273 L N 0.270 121.547 121.223 0.090 0.000 2.131 273 L HA -0.230 4.112 4.340 0.003 0.000 0.210 273 L C 2.157 178.941 176.870 -0.144 0.000 1.092 273 L CA 1.509 56.321 54.840 -0.046 0.000 0.759 273 L CB -0.486 41.536 42.059 -0.061 0.000 0.903 273 L HN 0.219 nan 8.230 nan 0.000 0.435 274 K N -0.058 120.250 120.400 -0.153 0.000 2.486 274 K HA 0.019 4.341 4.320 0.003 0.000 0.194 274 K C 1.792 178.349 176.600 -0.072 0.000 1.033 274 K CA 0.738 56.934 56.287 -0.153 0.000 1.004 274 K CB 0.062 32.429 32.500 -0.222 0.000 0.798 274 K HN 0.237 nan 8.250 nan 0.000 0.495 275 A N 0.977 123.747 122.820 -0.083 0.000 2.251 275 A HA 0.131 4.453 4.320 0.003 0.000 0.209 275 A C 0.756 178.290 177.584 -0.083 0.000 1.187 275 A CA 0.095 52.104 52.037 -0.045 0.000 0.823 275 A CB -0.028 18.925 19.000 -0.078 0.000 0.846 275 A HN 0.094 nan 8.150 nan 0.000 0.486 276 I N 0.572 121.072 120.570 -0.117 0.000 2.339 276 I HA 0.337 4.509 4.170 0.003 0.000 0.290 276 I C 0.020 176.131 176.117 -0.010 0.000 0.994 276 I CA -0.813 60.442 61.300 -0.075 0.000 1.191 276 I CB 1.441 39.367 38.000 -0.123 0.000 1.343 276 I HN 0.047 nan 8.210 nan 0.000 0.458 277 R N 5.228 125.764 120.500 0.059 0.000 2.215 277 R HA 0.600 4.942 4.340 0.003 0.000 0.336 277 R C 0.499 176.866 176.300 0.111 0.000 0.996 277 R CA 0.641 56.791 56.100 0.083 0.000 0.847 277 R CB 0.536 30.911 30.300 0.126 0.000 1.127 277 R HN 0.875 nan 8.270 nan 0.000 0.465 278 G N 2.566 111.409 108.800 0.072 0.000 2.675 278 G HA2 -0.356 3.606 3.960 0.003 0.000 0.312 278 G HA3 -0.356 3.606 3.960 0.003 0.000 0.312 278 G C 0.426 175.343 174.900 0.028 0.000 1.186 278 G CA 0.496 45.642 45.100 0.076 0.000 0.965 278 G HN 0.579 nan 8.290 nan 0.000 0.548 279 S N 0.134 115.844 115.700 0.017 0.000 2.603 279 S HA 0.467 4.939 4.470 0.003 0.000 0.232 279 S C -0.354 173.962 174.600 -0.472 0.000 1.016 279 S CA 0.013 58.071 58.200 -0.236 0.000 0.976 279 S CB 0.501 63.473 63.200 -0.380 0.000 0.921 279 S HN 0.455 nan 8.310 nan 0.000 0.516 280 Y N 1.285 121.579 120.300 -0.011 0.000 2.352 280 Y HA 0.625 5.177 4.550 0.003 0.000 0.339 280 Y C 0.002 175.926 175.900 0.041 0.000 0.992 280 Y CA -1.333 56.780 58.100 0.022 0.000 1.100 280 Y CB 0.795 39.291 38.460 0.060 0.000 1.192 280 Y HN 0.048 nan 8.280 nan 0.000 0.458 281 M N 2.968 122.659 119.600 0.152 0.000 2.242 281 M HA 0.177 4.658 4.480 0.003 0.000 0.344 281 M C -0.386 175.993 176.300 0.132 0.000 1.140 281 M CA -0.304 55.037 55.300 0.069 0.000 1.160 281 M CB 0.420 33.028 32.600 0.013 0.000 1.491 281 M HN 0.628 nan 8.290 nan 0.000 0.459 282 D N 3.343 123.767 120.400 0.039 0.000 2.450 282 D HA -0.046 4.596 4.640 0.003 0.000 0.247 282 D C 0.586 176.865 176.300 -0.036 0.000 1.162 282 D CA 0.083 54.063 54.000 -0.032 0.000 0.879 282 D CB 0.211 40.980 40.800 -0.052 0.000 1.163 282 D HN 0.528 nan 8.370 nan 0.000 0.472 283 F N 3.038 123.022 119.950 0.057 0.000 2.451 283 F HA 0.001 4.530 4.527 0.002 0.000 0.299 283 F C 1.442 177.253 175.800 0.019 0.000 1.101 283 F CA 0.154 58.180 58.000 0.043 0.000 1.436 283 F CB -0.717 38.300 39.000 0.028 0.000 1.074 283 F HN 0.209 nan 8.300 nan 0.000 0.553 284 N N 1.222 119.770 118.700 -0.253 0.000 2.381 284 N HA -0.088 4.654 4.740 0.003 0.000 0.182 284 N C 1.755 177.143 175.510 -0.204 0.000 1.025 284 N CA 1.701 54.646 53.050 -0.174 0.000 0.888 284 N CB -0.051 38.266 38.487 -0.284 0.000 0.965 284 N HN 0.507 nan 8.380 nan 0.000 0.438 285 V N -2.208 117.587 119.914 -0.198 0.000 3.376 285 V HA 0.321 4.443 4.120 0.003 0.000 0.313 285 V C 0.851 176.917 176.094 -0.046 0.000 1.393 285 V CA 0.108 62.286 62.300 -0.204 0.000 1.125 285 V CB 0.271 31.932 31.823 -0.270 0.000 1.037 285 V HN -0.106 nan 8.190 nan 0.000 0.440 286 E N 1.525 121.739 120.200 0.023 0.000 2.463 286 E HA 0.323 4.674 4.350 0.003 0.000 0.193 286 E C 1.520 178.146 176.600 0.043 0.000 1.041 286 E CA 0.618 57.047 56.400 0.050 0.000 0.879 286 E CB 0.675 30.429 29.700 0.090 0.000 0.997 286 E HN 0.808 nan 8.360 nan 0.000 0.478 287 G N 3.002 111.832 108.800 0.050 0.000 2.574 287 G HA2 -0.436 3.525 3.960 0.003 0.000 0.282 287 G HA3 -0.436 3.525 3.960 0.003 0.000 0.282 287 G C 0.845 175.790 174.900 0.074 0.000 1.257 287 G CA 0.765 45.904 45.100 0.066 0.000 0.956 287 G HN 0.429 nan 8.290 nan 0.000 0.560 288 R N 0.624 121.165 120.500 0.069 0.000 2.237 288 R HA 0.202 4.544 4.340 0.003 0.000 0.219 288 R C 2.410 178.733 176.300 0.038 0.000 1.080 288 R CA 1.801 57.929 56.100 0.047 0.000 0.995 288 R CB -0.601 29.725 30.300 0.043 0.000 0.875 288 R HN 0.973 nan 8.270 nan 0.000 0.462 289 G N 0.867 109.679 108.800 0.021 0.000 2.679 289 G HA2 -0.140 3.822 3.960 0.003 0.000 0.212 289 G HA3 -0.140 3.822 3.960 0.003 0.000 0.212 289 G C 1.237 176.179 174.900 0.071 0.000 1.137 289 G CA 0.289 45.398 45.100 0.014 0.000 0.787 289 G HN 0.223 nan 8.290 nan 0.000 0.534 290 V N 1.793 121.777 119.914 0.116 0.000 2.720 290 V HA -0.116 4.006 4.120 0.003 0.000 0.256 290 V C 2.621 178.854 176.094 0.231 0.000 1.082 290 V CA 2.382 64.791 62.300 0.182 0.000 1.101 290 V CB -0.197 31.770 31.823 0.240 0.000 0.693 290 V HN 0.487 nan 8.190 nan 0.000 0.479 291 S N -0.558 115.264 115.700 0.203 0.000 2.671 291 S HA 0.257 4.728 4.470 0.003 0.000 0.220 291 S C 0.676 175.451 174.600 0.291 0.000 0.951 291 S CA -0.418 57.940 58.200 0.262 0.000 0.932 291 S CB -0.245 63.014 63.200 0.100 0.000 0.777 291 S HN 0.626 nan 8.310 nan 0.000 0.508 292 R N 1.699 122.267 120.500 0.113 0.000 2.474 292 R HA 0.498 4.839 4.340 0.003 0.000 0.295 292 R C -3.045 172.923 176.300 -0.553 0.000 0.980 292 R CA -2.394 53.564 56.100 -0.235 0.000 0.934 292 R CB 0.486 30.702 30.300 -0.141 0.000 1.101 292 R HN 0.132 nan 8.270 nan 0.000 0.469 293 P HA -0.034 nan 4.420 nan 0.000 0.268 293 P C -0.700 176.290 177.300 -0.517 0.000 1.204 293 P CA 0.451 62.679 63.100 -1.453 0.000 0.768 293 P CB 0.456 31.211 31.700 -1.576 0.000 0.842 294 D N 0.687 120.939 120.400 -0.246 0.000 2.978 294 D HA -0.219 4.423 4.640 0.003 0.000 0.205 294 D C 1.044 177.474 176.300 0.216 0.000 1.093 294 D CA 0.650 54.708 54.000 0.097 0.000 1.006 294 D CB -1.602 39.257 40.800 0.097 0.000 1.116 294 D HN 0.310 nan 8.370 nan 0.000 0.419 295 I N 0.824 121.450 120.570 0.094 0.000 2.236 295 I HA -0.242 3.930 4.170 0.003 0.000 0.249 295 I C 2.064 178.301 176.117 0.200 0.000 1.102 295 I CA 1.602 62.971 61.300 0.116 0.000 1.365 295 I CB -0.141 37.907 38.000 0.079 0.000 1.051 295 I HN 0.250 nan 8.210 nan 0.000 0.420 296 L N 0.027 121.452 121.223 0.337 0.000 2.478 296 L HA -0.044 4.297 4.340 0.003 0.000 0.223 296 L C 0.813 177.839 176.870 0.260 0.000 1.140 296 L CA 0.095 55.154 54.840 0.365 0.000 0.842 296 L CB -1.001 41.375 42.059 0.529 0.000 0.953 296 L HN 0.272 nan 8.230 nan 0.000 0.452 297 N N 1.711 120.546 118.700 0.226 0.000 2.405 297 N HA -0.004 4.738 4.740 0.003 0.000 0.260 297 N C 0.046 175.454 175.510 -0.169 0.000 1.152 297 N CA 0.271 53.193 53.050 -0.213 0.000 0.948 297 N CB 0.633 39.051 38.487 -0.114 0.000 1.111 297 N HN -0.042 nan 8.380 nan 0.000 0.485 298 K N 3.526 123.761 120.400 -0.275 0.000 2.699 298 K HA 0.161 4.483 4.320 0.003 0.000 0.210 298 K C 0.704 177.220 176.600 -0.140 0.000 1.076 298 K CA -0.189 56.026 56.287 -0.120 0.000 1.109 298 K CB 0.380 32.847 32.500 -0.054 0.000 0.862 298 K HN 0.539 nan 8.250 nan 0.000 0.470 299 K N 0.391 120.669 120.400 -0.203 0.000 2.283 299 K HA -0.026 4.296 4.320 0.003 0.000 0.202 299 K C 1.458 178.017 176.600 -0.069 0.000 1.048 299 K CA 1.097 57.292 56.287 -0.153 0.000 0.948 299 K CB 0.131 32.531 32.500 -0.167 0.000 0.742 299 K HN 0.101 nan 8.250 nan 0.000 0.458 300 A N 0.843 123.639 122.820 -0.041 0.000 2.307 300 A HA -0.013 4.309 4.320 0.003 0.000 0.218 300 A C 1.598 179.195 177.584 0.021 0.000 1.228 300 A CA 0.272 52.304 52.037 -0.008 0.000 0.857 300 A CB -0.046 18.954 19.000 -0.001 0.000 0.897 300 A HN 0.130 nan 8.150 nan 0.000 0.495 301 E N 1.855 122.078 120.200 0.038 0.000 2.160 301 E HA -0.247 4.105 4.350 0.003 0.000 0.195 301 E C 1.911 178.559 176.600 0.080 0.000 0.991 301 E CA 1.821 58.280 56.400 0.098 0.000 0.810 301 E CB -0.327 29.456 29.700 0.139 0.000 0.742 301 E HN 0.773 nan 8.360 nan 0.000 0.466 302 K N -0.358 120.066 120.400 0.040 0.000 2.281 302 K HA -0.144 4.178 4.320 0.003 0.000 0.203 302 K C 2.209 178.817 176.600 0.012 0.000 1.046 302 K CA 1.738 58.039 56.287 0.024 0.000 0.938 302 K CB -0.392 32.112 32.500 0.008 0.000 0.737 302 K HN 0.093 nan 8.250 nan 0.000 0.458 303 K N 2.174 122.583 120.400 0.015 0.000 2.063 303 K HA -0.110 4.212 4.320 0.003 0.000 0.208 303 K C 2.091 178.689 176.600 -0.002 0.000 1.048 303 K CA 1.761 58.050 56.287 0.004 0.000 0.928 303 K CB -0.631 31.874 32.500 0.008 0.000 0.713 303 K HN 0.465 nan 8.250 nan 0.000 0.442 304 R N -0.543 119.972 120.500 0.023 0.000 2.112 304 R HA 0.272 4.614 4.340 0.003 0.000 0.216 304 R C 2.563 178.871 176.300 0.015 0.000 1.080 304 R CA 0.786 56.902 56.100 0.027 0.000 0.996 304 R CB -0.294 30.046 30.300 0.065 0.000 0.902 304 R HN 0.316 nan 8.270 nan 0.000 0.449 305 L N 0.682 121.918 121.223 0.022 0.000 2.079 305 L HA -0.215 4.127 4.340 0.003 0.000 0.210 305 L C 2.169 178.928 176.870 -0.186 0.000 1.081 305 L CA 0.830 55.607 54.840 -0.106 0.000 0.752 305 L CB -0.404 41.653 42.059 -0.003 0.000 0.896 305 L HN 0.149 nan 8.230 nan 0.000 0.433 306 L N -0.678 120.487 121.223 -0.096 0.000 2.083 306 L HA -0.175 4.166 4.340 0.003 0.000 0.209 306 L C 2.403 179.191 176.870 -0.138 0.000 1.083 306 L CA 1.512 56.297 54.840 -0.092 0.000 0.752 306 L CB -0.676 41.355 42.059 -0.047 0.000 0.899 306 L HN -0.004 nan 8.230 nan 0.000 0.433 307 V N -0.741 119.088 119.914 -0.143 0.000 2.323 307 V HA -0.216 3.906 4.120 0.003 0.000 0.244 307 V C 2.694 178.639 176.094 -0.247 0.000 1.041 307 V CA 1.349 63.555 62.300 -0.156 0.000 1.025 307 V CB -1.169 30.572 31.823 -0.138 0.000 0.656 307 V HN 0.483 nan 8.190 nan 0.000 0.451 308 A N -0.190 122.405 122.820 -0.375 0.000 1.948 308 A HA -0.303 4.018 4.320 0.003 0.000 0.220 308 A C 2.351 179.402 177.584 -0.888 0.000 1.177 308 A CA 2.319 53.943 52.037 -0.689 0.000 0.636 308 A CB -0.542 17.692 19.000 -1.277 0.000 0.815 308 A HN 0.499 nan 8.150 nan 0.000 0.449 309 K N -1.038 118.900 120.400 -0.771 0.000 2.211 309 K HA -0.039 4.283 4.320 0.003 0.000 0.203 309 K C 1.943 178.457 176.600 -0.143 0.000 1.050 309 K CA 1.267 57.307 56.287 -0.410 0.000 0.945 309 K CB -0.199 32.222 32.500 -0.131 0.000 0.732 309 K HN 0.574 nan 8.250 nan 0.000 0.451 310 M N 0.008 119.517 119.600 -0.150 0.000 2.193 310 M HA -0.062 4.420 4.480 0.003 0.000 0.265 310 M C 2.003 178.276 176.300 -0.045 0.000 1.071 310 M CA 1.309 56.568 55.300 -0.068 0.000 1.140 310 M CB -0.045 32.516 32.600 -0.066 0.000 1.369 310 M HN 0.084 nan 8.290 nan 0.000 0.423 311 I N -0.616 119.907 120.570 -0.078 0.000 2.584 311 I HA -0.123 4.049 4.170 0.003 0.000 0.255 311 I C 0.449 176.592 176.117 0.044 0.000 1.145 311 I CA 0.709 61.989 61.300 -0.034 0.000 1.462 311 I CB -0.047 37.908 38.000 -0.076 0.000 1.102 311 I HN 0.151 nan 8.210 nan 0.000 0.433 312 D N 0.413 120.868 120.400 0.092 0.000 2.483 312 D HA 0.193 4.835 4.640 0.003 0.000 0.281 312 D C 0.799 177.314 176.300 0.358 0.000 1.174 312 D CA -0.274 53.905 54.000 0.298 0.000 0.938 312 D CB 0.652 41.787 40.800 0.559 0.000 1.002 312 D HN -0.141 nan 8.370 nan 0.000 0.501 313 L N 2.035 123.376 121.223 0.196 0.000 2.265 313 L HA -0.034 4.308 4.340 0.003 0.000 0.215 313 L C 2.143 179.074 176.870 0.101 0.000 1.117 313 L CA 1.268 56.197 54.840 0.148 0.000 0.782 313 L CB -0.419 41.686 42.059 0.077 0.000 0.914 313 L HN 0.349 nan 8.230 nan 0.000 0.441 314 K N -0.927 119.507 120.400 0.058 0.000 2.280 314 K HA -0.128 4.194 4.320 0.003 0.000 0.202 314 K C 0.357 176.685 176.600 -0.453 0.000 1.047 314 K CA 1.118 57.291 56.287 -0.191 0.000 0.942 314 K CB -0.172 32.173 32.500 -0.259 0.000 0.739 314 K HN 0.480 nan 8.250 nan 0.000 0.457 315 H N -1.036 118.062 119.070 0.048 0.000 2.505 315 H HA 0.151 4.708 4.556 0.003 0.000 0.260 315 H C 0.783 176.039 175.328 -0.119 0.000 1.168 315 H CA -0.250 55.694 56.048 -0.173 0.000 0.945 315 H CB 0.618 30.076 29.762 -0.507 0.000 1.800 315 H HN 0.005 nan 8.280 nan 0.000 0.586 316 T N -0.337 114.319 114.554 0.169 0.000 2.624 316 T HA -0.287 4.065 4.350 0.003 0.000 0.268 316 T C 1.908 176.687 174.700 0.132 0.000 1.041 316 T CA 1.923 64.164 62.100 0.235 0.000 1.159 316 T CB 0.140 69.087 68.868 0.131 0.000 0.863 316 T HN 0.589 nan 8.240 nan 0.000 0.434 317 E N 0.932 121.147 120.200 0.026 0.000 2.038 317 E HA -0.220 4.131 4.350 0.003 0.000 0.195 317 E C 2.265 178.841 176.600 -0.041 0.000 1.000 317 E CA 1.412 57.810 56.400 -0.004 0.000 0.803 317 E CB -0.077 29.598 29.700 -0.042 0.000 0.750 317 E HN 0.588 nan 8.360 nan 0.000 0.448 318 E N -0.450 119.658 120.200 -0.154 0.000 2.085 318 E HA -0.208 4.144 4.350 0.003 0.000 0.194 318 E C 1.857 178.333 176.600 -0.208 0.000 0.994 318 E CA 1.410 57.648 56.400 -0.270 0.000 0.801 318 E CB -0.233 29.181 29.700 -0.477 0.000 0.743 318 E HN 0.488 nan 8.360 nan 0.000 0.453 319 W N 0.644 121.912 121.300 -0.055 0.000 2.358 319 W HA -0.142 4.520 4.660 0.003 0.000 0.303 319 W C 2.607 179.097 176.519 -0.049 0.000 1.208 319 W CA 0.472 57.768 57.345 -0.081 0.000 1.274 319 W CB -0.151 29.278 29.460 -0.052 0.000 1.138 319 W HN 0.095 nan 8.180 nan 0.000 0.515 320 A N 0.629 123.571 122.820 0.204 0.000 1.877 320 A HA -0.220 4.102 4.320 0.003 0.000 0.216 320 A C 1.655 179.309 177.584 0.117 0.000 1.186 320 A CA 2.108 54.225 52.037 0.132 0.000 0.620 320 A CB -0.879 18.185 19.000 0.107 0.000 0.822 320 A HN 0.158 nan 8.150 nan 0.000 0.443 321 D N 0.232 120.696 120.400 0.107 0.000 2.117 321 D HA -0.066 4.576 4.640 0.003 0.000 0.197 321 D C 2.227 178.594 176.300 0.112 0.000 0.987 321 D CA 1.540 55.635 54.000 0.159 0.000 0.829 321 D CB -0.537 40.293 40.800 0.051 0.000 0.961 321 D HN 0.427 nan 8.370 nan 0.000 0.460 322 A N 0.925 123.774 122.820 0.049 0.000 1.902 322 A HA -0.152 4.170 4.320 0.003 0.000 0.217 322 A C 2.401 180.014 177.584 0.049 0.000 1.181 322 A CA 0.921 52.976 52.037 0.031 0.000 0.623 322 A CB -0.743 18.267 19.000 0.016 0.000 0.818 322 A HN 0.184 nan 8.150 nan 0.000 0.443 323 I N -0.329 120.281 120.570 0.066 0.000 2.163 323 I HA -0.314 3.857 4.170 0.003 0.000 0.243 323 I C 3.032 179.157 176.117 0.014 0.000 1.085 323 I CA 1.115 62.440 61.300 0.042 0.000 1.347 323 I CB -0.444 37.584 38.000 0.046 0.000 1.044 323 I HN 0.382 nan 8.210 nan 0.000 0.408 324 A N 0.949 123.777 122.820 0.014 0.000 1.873 324 A HA -0.245 4.077 4.320 0.003 0.000 0.218 324 A C 2.409 179.965 177.584 -0.048 0.000 1.193 324 A CA 1.784 53.792 52.037 -0.048 0.000 0.629 324 A CB -0.668 18.266 19.000 -0.109 0.000 0.826 324 A HN 0.326 nan 8.150 nan 0.000 0.447 325 R N -0.841 119.666 120.500 0.011 0.000 2.070 325 R HA -0.112 4.230 4.340 0.003 0.000 0.233 325 R C 2.565 178.860 176.300 -0.008 0.000 1.137 325 R CA 2.060 58.170 56.100 0.018 0.000 0.945 325 R CB -0.947 29.386 30.300 0.055 0.000 0.845 325 R HN 0.771 nan 8.270 nan 0.000 0.430 326 T N -1.355 113.192 114.554 -0.012 0.000 2.867 326 T HA -0.133 4.218 4.350 0.003 0.000 0.268 326 T C 1.474 176.141 174.700 -0.054 0.000 1.057 326 T CA 1.556 63.632 62.100 -0.039 0.000 1.136 326 T CB -0.158 68.697 68.868 -0.021 0.000 0.874 326 T HN 0.046 nan 8.240 nan 0.000 0.466 327 D N 0.944 121.321 120.400 -0.037 0.000 2.339 327 D HA 0.129 4.771 4.640 0.003 0.000 0.217 327 D C 0.412 176.684 176.300 -0.045 0.000 1.050 327 D CA 0.194 54.169 54.000 -0.041 0.000 0.856 327 D CB -0.576 40.206 40.800 -0.030 0.000 0.922 327 D HN 0.314 nan 8.370 nan 0.000 0.518 328 S N -0.432 115.241 115.700 -0.046 0.000 3.436 328 S HA -0.208 4.264 4.470 0.003 0.000 0.393 328 S C 1.045 175.606 174.600 -0.064 0.000 0.914 328 S CA 0.877 59.049 58.200 -0.047 0.000 1.317 328 S CB -1.469 61.715 63.200 -0.027 0.000 0.920 328 S HN 0.496 nan 8.310 nan 0.000 0.564 329 T N -1.381 113.114 114.554 -0.098 0.000 3.054 329 T HA 0.492 4.844 4.350 0.003 0.000 0.255 329 T C 0.663 175.255 174.700 -0.179 0.000 1.035 329 T CA 0.431 62.460 62.100 -0.117 0.000 0.941 329 T CB 0.354 69.150 68.868 -0.120 0.000 1.026 329 T HN 1.349 nan 8.240 nan 0.000 0.533 330 V N -2.512 117.282 119.914 -0.199 0.000 3.206 330 V HA 0.960 5.082 4.120 0.003 0.000 0.305 330 V C -0.289 175.745 176.094 -0.099 0.000 1.257 330 V CA -1.692 60.456 62.300 -0.253 0.000 1.057 330 V CB 1.119 32.559 31.823 -0.638 0.000 1.075 330 V HN 0.311 nan 8.190 nan 0.000 0.443 331 A N 0.639 123.439 122.820 -0.035 0.000 2.366 331 A HA 0.751 5.073 4.320 0.003 0.000 0.249 331 A C 1.691 179.314 177.584 0.066 0.000 1.084 331 A CA 0.285 52.338 52.037 0.027 0.000 0.794 331 A CB 0.388 19.415 19.000 0.046 0.000 1.034 331 A HN 2.341 nan 8.150 nan 0.000 0.491 332 A N 1.366 124.223 122.820 0.062 0.000 1.927 332 A HA -0.030 4.292 4.320 0.003 0.000 0.220 332 A C 1.946 179.573 177.584 0.071 0.000 1.185 332 A CA 2.307 54.386 52.037 0.070 0.000 0.639 332 A CB -1.059 17.986 19.000 0.075 0.000 0.820 332 A HN 1.591 nan 8.150 nan 0.000 0.451 333 G N -2.743 106.099 108.800 0.070 0.000 3.181 333 G HA2 0.216 4.178 3.960 0.003 0.000 0.219 333 G HA3 0.216 4.178 3.960 0.003 0.000 0.219 333 G C 0.277 175.209 174.900 0.054 0.000 1.182 333 G CA -0.136 44.988 45.100 0.040 0.000 0.791 333 G HN 0.457 nan 8.290 nan 0.000 0.537 334 Y N 2.001 122.282 120.300 -0.032 0.000 2.804 334 Y HA 0.034 4.586 4.550 0.003 0.000 0.338 334 Y C 1.254 177.122 175.900 -0.054 0.000 1.252 334 Y CA 0.113 58.191 58.100 -0.037 0.000 1.576 334 Y CB 0.038 38.481 38.460 -0.030 0.000 1.223 334 Y HN 0.357 nan 8.280 nan 0.000 0.536 335 K N 4.155 124.236 120.400 -0.531 0.000 3.020 335 K HA -0.209 4.113 4.320 0.003 0.000 0.266 335 K C -0.682 175.755 176.600 -0.272 0.000 1.067 335 K CA 0.477 56.476 56.287 -0.480 0.000 0.780 335 K CB -1.268 30.817 32.500 -0.691 0.000 1.220 335 K HN 0.442 nan 8.250 nan 0.000 0.483 336 I N 2.254 122.710 120.570 -0.191 0.000 2.337 336 I HA 0.083 4.255 4.170 0.003 0.000 0.291 336 I C 0.965 176.982 176.117 -0.167 0.000 1.046 336 I CA 0.192 61.391 61.300 -0.168 0.000 1.324 336 I CB 0.847 38.767 38.000 -0.134 0.000 1.409 336 I HN 0.051 nan 8.210 nan 0.000 0.494 337 E N 7.880 127.978 120.200 -0.171 0.000 2.283 337 E HA 0.376 4.728 4.350 0.003 0.000 0.271 337 E C -2.222 174.290 176.600 -0.146 0.000 1.031 337 E CA -1.965 54.347 56.400 -0.147 0.000 0.868 337 E CB 0.766 30.387 29.700 -0.131 0.000 1.094 337 E HN 0.239 nan 8.360 nan 0.000 0.401 338 P HA -0.002 nan 4.420 nan 0.000 0.263 338 P C -1.094 176.114 177.300 -0.154 0.000 1.195 338 P CA 0.706 63.672 63.100 -0.223 0.000 0.762 338 P CB -0.008 31.545 31.700 -0.245 0.000 0.799 339 Y N 2.857 122.939 120.300 -0.364 0.000 2.571 339 Y HA 0.604 5.156 4.550 0.003 0.000 0.341 339 Y C -1.391 174.344 175.900 -0.275 0.000 1.076 339 Y CA -0.970 56.959 58.100 -0.285 0.000 1.029 339 Y CB 1.926 40.237 38.460 -0.248 0.000 1.308 339 Y HN 0.456 nan 8.280 nan 0.000 0.461 340 H N 2.752 121.191 119.070 -1.052 0.000 3.029 340 H HA 0.480 5.038 4.556 0.003 0.000 0.358 340 H C -2.206 172.610 175.328 -0.853 0.000 1.129 340 H CA -0.520 55.084 56.048 -0.739 0.000 1.230 340 H CB 1.261 30.774 29.762 -0.416 0.000 1.827 340 H HN 0.782 nan 8.280 nan 0.000 0.530 341 H N 2.674 121.120 119.070 -1.040 0.000 3.083 341 H HA 0.267 4.825 4.556 0.003 0.000 0.339 341 H C -1.545 173.394 175.328 -0.648 0.000 1.020 341 H CA -0.683 54.922 56.048 -0.738 0.000 1.360 341 H CB 1.510 30.852 29.762 -0.701 0.000 1.811 341 H HN 0.586 nan 8.280 nan 0.000 0.493 342 Q N 4.861 124.187 119.800 -0.789 0.000 2.331 342 Q HA 0.292 4.634 4.340 0.003 0.000 0.257 342 Q C -1.441 174.151 176.000 -0.680 0.000 0.957 342 Q CA -0.368 55.135 55.803 -0.501 0.000 0.923 342 Q CB 0.122 28.779 28.738 -0.135 0.000 1.212 342 Q HN 0.510 nan 8.270 nan 0.000 0.443 343 F N 5.256 124.933 119.950 -0.455 0.000 2.509 343 F HA 0.158 4.687 4.527 0.003 0.000 0.350 343 F C 0.508 176.185 175.800 -0.205 0.000 1.220 343 F CA -0.513 57.257 58.000 -0.383 0.000 1.151 343 F CB 0.011 38.945 39.000 -0.110 0.000 1.379 343 F HN 0.774 nan 8.300 nan 0.000 0.610 344 W N 1.468 122.789 121.300 0.035 0.000 2.392 344 W HA -0.122 4.539 4.660 0.002 0.000 0.279 344 W C 0.862 177.462 176.519 0.135 0.000 1.225 344 W CA 1.264 58.654 57.345 0.076 0.000 1.233 344 W CB -1.003 28.490 29.460 0.055 0.000 1.122 344 W HN 0.324 nan 8.180 nan 0.000 0.561 345 N N 0.131 118.630 118.700 -0.335 0.000 2.290 345 N HA 0.062 4.803 4.740 0.003 0.000 0.179 345 N C 2.064 177.538 175.510 -0.061 0.000 1.016 345 N CA 1.136 53.989 53.050 -0.327 0.000 0.871 345 N CB -0.539 37.519 38.487 -0.715 0.000 0.987 345 N HN 0.312 nan 8.380 nan 0.000 0.431 346 G N -0.231 108.557 108.800 -0.020 0.000 2.880 346 G HA2 -0.061 3.901 3.960 0.003 0.000 0.209 346 G HA3 -0.061 3.901 3.960 0.003 0.000 0.209 346 G C -0.320 174.646 174.900 0.111 0.000 1.157 346 G CA -0.120 45.004 45.100 0.041 0.000 0.779 346 G HN 0.079 nan 8.290 nan 0.000 0.539 347 D N -1.535 118.965 120.400 0.166 0.000 2.697 347 D HA -0.186 4.456 4.640 0.003 0.000 0.238 347 D C -0.744 175.660 176.300 0.173 0.000 1.152 347 D CA 1.078 55.174 54.000 0.161 0.000 0.666 347 D CB -1.143 39.735 40.800 0.131 0.000 1.037 347 D HN 0.474 nan 8.370 nan 0.000 0.423 348 Y N -1.009 119.310 120.300 0.031 0.000 2.552 348 Y HA 0.543 5.095 4.550 0.003 0.000 0.337 348 Y C -1.773 174.196 175.900 0.116 0.000 1.094 348 Y CA -1.051 57.041 58.100 -0.013 0.000 1.028 348 Y CB 1.755 40.124 38.460 -0.151 0.000 1.321 348 Y HN -0.105 nan 8.280 nan 0.000 0.456 349 V N 6.096 125.739 119.914 -0.452 0.000 2.686 349 V HA 0.557 4.679 4.120 0.003 0.000 0.306 349 V C -1.660 174.017 176.094 -0.696 0.000 1.065 349 V CA -0.316 61.682 62.300 -0.502 0.000 0.894 349 V CB 2.093 33.696 31.823 -0.367 0.000 1.004 349 V HN 0.914 nan 8.190 nan 0.000 0.424 350 Q N 3.960 123.401 119.800 -0.599 0.000 2.309 350 Q HA 0.564 4.906 4.340 0.003 0.000 0.264 350 Q C -1.590 174.162 176.000 -0.412 0.000 1.008 350 Q CA -0.693 54.888 55.803 -0.370 0.000 0.853 350 Q CB 2.501 31.185 28.738 -0.089 0.000 1.314 350 Q HN 0.842 nan 8.270 nan 0.000 0.448 351 H N 1.643 120.575 119.070 -0.231 0.000 3.013 351 H HA 0.437 4.995 4.556 0.003 0.000 0.326 351 H C -1.935 173.401 175.328 0.013 0.000 0.973 351 H CA -0.459 55.520 56.048 -0.115 0.000 1.369 351 H CB 0.562 30.378 29.762 0.089 0.000 1.598 351 H HN 0.380 nan 8.280 nan 0.000 0.518 352 L N 5.027 126.063 121.223 -0.312 0.000 2.329 352 L HA 0.636 4.977 4.340 0.003 0.000 0.279 352 L C -0.317 176.262 176.870 -0.485 0.000 1.014 352 L CA -0.549 54.113 54.840 -0.296 0.000 0.814 352 L CB 1.358 43.340 42.059 -0.129 0.000 1.257 352 L HN 0.578 nan 8.230 nan 0.000 0.424 353 R N 2.546 122.704 120.500 -0.570 0.000 2.799 353 R HA 0.454 4.796 4.340 0.003 0.000 0.270 353 R C -2.037 174.066 176.300 -0.329 0.000 1.010 353 R CA -1.977 53.816 56.100 -0.511 0.000 0.916 353 R CB 0.984 30.851 30.300 -0.722 0.000 1.228 353 R HN 0.158 nan 8.270 nan 0.000 0.469 354 P HA -0.125 nan 4.420 nan 0.000 0.216 354 P C 0.696 177.970 177.300 -0.043 0.000 1.153 354 P CA 1.785 64.826 63.100 -0.099 0.000 0.858 354 P CB 0.276 31.940 31.700 -0.060 0.000 0.789 355 A N -2.842 119.982 122.820 0.006 0.000 2.251 355 A HA 0.213 4.534 4.320 0.003 0.000 0.209 355 A C 0.345 178.078 177.584 0.247 0.000 1.187 355 A CA 0.403 52.520 52.037 0.132 0.000 0.823 355 A CB -0.797 18.323 19.000 0.201 0.000 0.846 355 A HN 0.381 nan 8.150 nan 0.000 0.486 356 Y N -5.041 115.303 120.300 0.073 0.000 2.851 356 Y HA 0.619 5.171 4.550 0.003 0.000 0.359 356 Y C -1.004 174.978 175.900 0.136 0.000 1.231 356 Y CA -1.227 56.942 58.100 0.114 0.000 1.106 356 Y CB 0.124 38.677 38.460 0.155 0.000 1.409 356 Y HN -0.188 nan 8.280 nan 0.000 0.454 357 S N 1.454 117.348 115.700 0.324 0.000 2.538 357 S HA 0.684 5.156 4.470 0.003 0.000 0.288 357 S C -2.092 172.847 174.600 0.565 0.000 1.108 357 S CA -0.608 57.756 58.200 0.274 0.000 0.971 357 S CB 1.407 64.694 63.200 0.145 0.000 1.041 357 S HN 0.684 nan 8.310 nan 0.000 0.483 358 F N 3.978 124.199 119.950 0.452 0.000 2.716 358 F HA 0.469 4.998 4.527 0.004 0.000 0.354 358 F C -0.988 175.006 175.800 0.323 0.000 1.168 358 F CA -0.561 57.707 58.000 0.446 0.000 1.045 358 F CB 0.768 40.127 39.000 0.599 0.000 1.311 358 F HN 0.451 nan 8.300 nan 0.000 0.477 359 N N 4.822 123.641 118.700 0.198 0.000 2.314 359 N HA 0.579 5.321 4.740 0.003 0.000 0.304 359 N C -1.335 174.149 175.510 -0.044 0.000 1.073 359 N CA -0.569 52.515 53.050 0.057 0.000 0.822 359 N CB 2.759 41.232 38.487 -0.024 0.000 1.280 359 N HN 0.221 nan 8.380 nan 0.000 0.489 360 V N 1.125 120.984 119.914 -0.092 0.000 2.540 360 V HA 0.463 4.585 4.120 0.003 0.000 0.302 360 V C 0.235 176.281 176.094 -0.081 0.000 1.035 360 V CA -0.876 61.293 62.300 -0.219 0.000 0.873 360 V CB 2.158 33.627 31.823 -0.591 0.000 0.992 360 V HN 0.565 nan 8.190 nan 0.000 0.428 361 R N 4.127 124.589 120.500 -0.064 0.000 2.393 361 R HA 0.820 5.161 4.340 0.003 0.000 0.310 361 R C -0.771 175.450 176.300 -0.131 0.000 0.968 361 R CA -0.352 55.753 56.100 0.009 0.000 0.867 361 R CB 1.219 31.515 30.300 -0.008 0.000 1.124 361 R HN 0.791 nan 8.270 nan 0.000 0.450 362 M N 2.402 121.920 119.600 -0.136 0.000 2.752 362 M HA 0.615 5.097 4.480 0.003 0.000 0.285 362 M C -1.233 174.938 176.300 -0.215 0.000 1.140 362 M CA -1.123 53.971 55.300 -0.343 0.000 0.767 362 M CB 2.031 34.496 32.600 -0.225 0.000 1.736 362 M HN 0.386 nan 8.290 nan 0.000 0.452 363 V N -0.289 119.502 119.914 -0.205 0.000 3.264 363 V HA 0.862 4.984 4.120 0.003 0.000 0.294 363 V C -1.779 174.441 176.094 0.210 0.000 1.429 363 V CA 0.010 62.327 62.300 0.028 0.000 1.053 363 V CB 2.505 34.340 31.823 0.019 0.000 1.128 363 V HN 1.091 nan 8.190 nan 0.000 0.452 364 S N 2.375 118.187 115.700 0.188 0.000 2.661 364 S HA 0.476 4.948 4.470 0.003 0.000 0.268 364 S C 0.150 174.825 174.600 0.125 0.000 1.162 364 S CA -0.299 58.025 58.200 0.205 0.000 0.817 364 S CB 1.647 64.963 63.200 0.193 0.000 1.141 364 S HN 0.755 nan 8.310 nan 0.000 0.477 365 K N 0.235 120.692 120.400 0.096 0.000 2.360 365 K HA 0.036 4.358 4.320 0.003 0.000 0.201 365 K C 1.695 178.283 176.600 -0.020 0.000 1.046 365 K CA 0.923 57.236 56.287 0.044 0.000 0.945 365 K CB -0.207 32.311 32.500 0.030 0.000 0.750 365 K HN 0.423 nan 8.250 nan 0.000 0.464 366 R N 0.263 120.738 120.500 -0.041 0.000 2.280 366 R HA 0.007 4.349 4.340 0.003 0.000 0.195 366 R C 0.867 177.144 176.300 -0.039 0.000 0.935 366 R CA 0.702 56.691 56.100 -0.185 0.000 1.033 366 R CB 0.372 30.485 30.300 -0.311 0.000 0.964 366 R HN 0.203 nan 8.270 nan 0.000 0.489 367 T N -2.036 112.554 114.554 0.059 0.000 2.742 367 T HA 0.521 4.873 4.350 0.003 0.000 0.282 367 T C -0.372 174.367 174.700 0.066 0.000 1.025 367 T CA -1.101 61.056 62.100 0.096 0.000 1.020 367 T CB 2.157 71.098 68.868 0.123 0.000 1.317 367 T HN -0.209 nan 8.240 nan 0.000 0.538 368 R N 0.315 120.851 120.500 0.060 0.000 2.711 368 R HA 0.544 4.885 4.340 0.003 0.000 0.284 368 R C -0.069 176.248 176.300 0.029 0.000 0.968 368 R CA -0.811 55.319 56.100 0.050 0.000 0.924 368 R CB 1.949 32.288 30.300 0.066 0.000 1.162 368 R HN 0.660 nan 8.270 nan 0.000 0.465 369 R N 0.129 120.632 120.500 0.005 0.000 2.707 369 R HA 0.112 4.454 4.340 0.003 0.000 0.270 369 R C 0.428 176.722 176.300 -0.009 0.000 1.083 369 R CA -0.180 55.898 56.100 -0.036 0.000 1.182 369 R CB 0.430 30.658 30.300 -0.119 0.000 1.084 369 R HN 0.459 nan 8.270 nan 0.000 0.528 370 S N 1.054 116.746 115.700 -0.014 0.000 2.563 370 S HA -0.072 4.399 4.470 0.003 0.000 0.294 370 S C 0.030 174.633 174.600 0.005 0.000 1.279 370 S CA -0.275 57.935 58.200 0.017 0.000 1.069 370 S CB 0.118 63.339 63.200 0.034 0.000 0.828 370 S HN 0.507 nan 8.310 nan 0.000 0.497 371 E N 2.837 123.065 120.200 0.047 0.000 2.314 371 E HA 0.548 4.899 4.350 0.003 0.000 0.262 371 E C -0.555 176.007 176.600 -0.064 0.000 1.093 371 E CA -0.912 55.505 56.400 0.028 0.000 0.908 371 E CB 1.090 30.897 29.700 0.179 0.000 1.091 371 E HN 0.361 nan 8.360 nan 0.000 0.425 372 S N 0.249 115.835 115.700 -0.190 0.000 2.521 372 S HA 0.749 5.221 4.470 0.003 0.000 0.295 372 S C -0.804 173.443 174.600 -0.589 0.000 1.098 372 S CA 0.060 58.083 58.200 -0.295 0.000 0.999 372 S CB 1.327 64.358 63.200 -0.282 0.000 1.034 372 S HN 0.849 nan 8.310 nan 0.000 0.483 373 G N 2.426 110.852 108.800 -0.624 0.000 2.667 373 G HA2 0.443 4.404 3.960 0.003 0.000 0.294 373 G HA3 0.443 4.404 3.960 0.003 0.000 0.294 373 G C -0.898 173.745 174.900 -0.428 0.000 1.467 373 G CA -0.784 43.630 45.100 -1.143 0.000 0.852 373 G HN 0.717 nan 8.290 nan 0.000 0.521 374 N N 0.363 118.935 118.700 -0.212 0.000 2.721 374 N HA -0.184 4.557 4.740 0.003 0.000 0.249 374 N C 0.561 176.029 175.510 -0.069 0.000 1.072 374 N CA 1.550 54.607 53.050 0.011 0.000 0.710 374 N CB -0.757 37.808 38.487 0.130 0.000 0.993 374 N HN 0.994 nan 8.380 nan 0.000 0.547 375 K N -2.098 118.213 120.400 -0.148 0.000 3.129 375 K HA -0.249 4.073 4.320 0.003 0.000 0.273 375 K C -0.524 175.970 176.600 -0.176 0.000 1.123 375 K CA 1.192 57.379 56.287 -0.167 0.000 0.800 375 K CB -1.113 31.308 32.500 -0.133 0.000 1.238 375 K HN 0.562 nan 8.250 nan 0.000 0.492 376 E N 0.513 120.611 120.200 -0.170 0.000 2.244 376 E HA 0.261 4.613 4.350 0.003 0.000 0.266 376 E C 0.010 176.506 176.600 -0.173 0.000 0.914 376 E CA -1.142 55.180 56.400 -0.130 0.000 0.794 376 E CB 1.174 30.838 29.700 -0.060 0.000 1.210 376 E HN 0.204 nan 8.360 nan 0.000 0.414 377 N N 1.563 120.160 118.700 -0.171 0.000 2.738 377 N HA -0.204 4.538 4.740 0.003 0.000 0.249 377 N C 0.067 175.376 175.510 -0.334 0.000 1.047 377 N CA 0.292 53.202 53.050 -0.232 0.000 0.707 377 N CB -1.105 37.310 38.487 -0.120 0.000 0.937 377 N HN 0.601 nan 8.380 nan 0.000 0.545 378 L N -0.719 120.273 121.223 -0.384 0.000 2.191 378 L HA -0.122 4.220 4.340 0.003 0.000 0.212 378 L C 1.734 178.335 176.870 -0.448 0.000 1.103 378 L CA 1.084 55.698 54.840 -0.377 0.000 0.769 378 L CB -0.177 41.670 42.059 -0.352 0.000 0.908 378 L HN 0.368 nan 8.230 nan 0.000 0.438 379 L N -0.922 119.879 121.223 -0.703 0.000 2.728 379 L HA 0.218 4.559 4.340 0.003 0.000 0.238 379 L C 1.679 178.200 176.870 -0.580 0.000 1.143 379 L CA -0.153 54.229 54.840 -0.763 0.000 0.937 379 L CB -0.043 41.266 42.059 -1.251 0.000 1.225 379 L HN 0.116 nan 8.230 nan 0.000 0.507 380 G N 0.103 108.636 108.800 -0.445 0.000 3.340 380 G HA2 -0.068 3.894 3.960 0.003 0.000 0.240 380 G HA3 -0.068 3.894 3.960 0.003 0.000 0.240 380 G C 1.337 176.190 174.900 -0.080 0.000 1.327 380 G CA -0.287 44.779 45.100 -0.056 0.000 1.170 380 G HN 0.240 nan 8.290 nan 0.000 0.520 381 R N -0.636 119.733 120.500 -0.218 0.000 2.159 381 R HA -0.101 4.241 4.340 0.003 0.000 0.237 381 R C 0.520 176.449 176.300 -0.617 0.000 1.131 381 R CA 1.125 56.947 56.100 -0.464 0.000 0.982 381 R CB -0.049 29.837 30.300 -0.690 0.000 0.868 381 R HN 0.568 nan 8.270 nan 0.000 0.453 382 Y N -1.057 119.307 120.300 0.108 0.000 2.660 382 Y HA 0.197 4.749 4.550 0.003 0.000 0.254 382 Y C 1.175 177.117 175.900 0.069 0.000 1.176 382 Y CA -0.473 57.682 58.100 0.092 0.000 1.195 382 Y CB 0.498 39.037 38.460 0.132 0.000 1.190 382 Y HN -0.062 nan 8.280 nan 0.000 0.535 383 L N -0.677 120.640 121.223 0.157 0.000 2.265 383 L HA -0.186 4.156 4.340 0.003 0.000 0.215 383 L C 1.532 178.467 176.870 0.107 0.000 1.117 383 L CA 1.295 56.227 54.840 0.154 0.000 0.782 383 L CB -0.105 42.067 42.059 0.188 0.000 0.914 383 L HN 0.182 nan 8.230 nan 0.000 0.441 384 S N -1.690 114.040 115.700 0.050 0.000 2.556 384 S HA 0.038 4.510 4.470 0.003 0.000 0.216 384 S C 0.306 174.864 174.600 -0.069 0.000 0.970 384 S CA -0.096 58.092 58.200 -0.020 0.000 0.912 384 S CB 0.024 63.192 63.200 -0.055 0.000 0.790 384 S HN 0.267 nan 8.310 nan 0.000 0.504 385 D N 2.256 122.706 120.400 0.083 0.000 3.057 385 D HA 0.339 4.980 4.640 0.003 0.000 0.246 385 D C 0.960 177.438 176.300 0.297 0.000 1.238 385 D CA 0.044 54.181 54.000 0.229 0.000 0.949 385 D CB -0.128 40.927 40.800 0.424 0.000 1.086 385 D HN 0.376 nan 8.370 nan 0.000 0.487 386 G N 0.796 109.641 108.800 0.074 0.000 2.248 386 G HA2 -0.176 3.785 3.960 0.003 0.000 0.263 386 G HA3 -0.176 3.785 3.960 0.003 0.000 0.263 386 G C 0.447 175.481 174.900 0.223 0.000 1.082 386 G CA -0.144 45.124 45.100 0.280 0.000 0.863 386 G HN 0.615 nan 8.290 nan 0.000 0.495 387 A N 0.753 123.624 122.820 0.086 0.000 2.451 387 A HA 0.673 4.995 4.320 0.003 0.000 0.266 387 A C 1.022 178.605 177.584 -0.002 0.000 1.119 387 A CA 0.950 53.054 52.037 0.112 0.000 0.786 387 A CB 0.189 19.300 19.000 0.185 0.000 1.061 387 A HN 1.817 nan 8.150 nan 0.000 0.503 388 T N 0.921 115.494 114.554 0.032 0.000 2.781 388 T HA 0.375 4.727 4.350 0.003 0.000 0.305 388 T C -0.264 174.297 174.700 -0.231 0.000 1.001 388 T CA -0.698 61.297 62.100 -0.176 0.000 0.950 388 T CB 0.126 68.924 68.868 -0.117 0.000 0.955 388 T HN 0.592 nan 8.240 nan 0.000 0.471 389 N N 4.053 122.518 118.700 -0.392 0.000 2.406 389 N HA 0.334 5.076 4.740 0.003 0.000 0.251 389 N C -0.760 174.680 175.510 -0.117 0.000 1.069 389 N CA -0.601 52.217 53.050 -0.386 0.000 0.947 389 N CB 0.152 38.244 38.487 -0.659 0.000 1.111 389 N HN 0.681 nan 8.380 nan 0.000 0.497 390 I N 2.914 123.610 120.570 0.209 0.000 2.390 390 I HA 0.244 4.416 4.170 0.003 0.000 0.283 390 I C -0.404 175.911 176.117 0.331 0.000 1.016 390 I CA -0.597 60.819 61.300 0.194 0.000 1.151 390 I CB 1.279 39.370 38.000 0.152 0.000 1.293 390 I HN 0.401 nan 8.210 nan 0.000 0.458 391 Q N 5.043 125.015 119.800 0.288 0.000 2.340 391 Q HA 0.504 4.845 4.340 0.003 0.000 0.268 391 Q C -0.454 175.678 176.000 0.220 0.000 1.031 391 Q CA -0.640 55.300 55.803 0.230 0.000 0.804 391 Q CB 3.114 31.990 28.738 0.231 0.000 1.286 391 Q HN 0.551 nan 8.270 nan 0.000 0.448 392 L N 0.791 122.105 121.223 0.152 0.000 2.614 392 L HA 0.239 4.581 4.340 0.003 0.000 0.185 392 L C 1.813 178.742 176.870 0.098 0.000 1.098 392 L CA 0.661 55.590 54.840 0.147 0.000 0.852 392 L CB -0.149 41.977 42.059 0.111 0.000 1.213 392 L HN 0.445 nan 8.230 nan 0.000 0.491 393 R N -0.470 120.064 120.500 0.057 0.000 2.093 393 R HA 0.233 4.575 4.340 0.003 0.000 0.224 393 R C 1.335 177.672 176.300 0.063 0.000 1.101 393 R CA 1.096 57.220 56.100 0.040 0.000 0.979 393 R CB -0.054 30.244 30.300 -0.003 0.000 0.877 393 R HN 0.520 nan 8.270 nan 0.000 0.441 394 G N -0.188 108.646 108.800 0.056 0.000 3.131 394 G HA2 -0.168 3.793 3.960 0.003 0.000 0.198 394 G HA3 -0.168 3.793 3.960 0.003 0.000 0.198 394 G C -1.808 173.026 174.900 -0.111 0.000 1.435 394 G CA -0.140 45.027 45.100 0.112 0.000 1.016 394 G HN 0.245 nan 8.290 nan 0.000 0.499 395 P HA 0.320 nan 4.420 nan 0.000 0.249 395 P C 0.561 177.815 177.300 -0.077 0.000 1.544 395 P CA 0.443 63.150 63.100 -0.656 0.000 0.932 395 P CB 0.492 31.580 31.700 -1.020 0.000 1.524 396 E N -0.311 119.835 120.200 -0.090 0.000 2.219 396 E HA -0.174 4.177 4.350 0.003 0.000 0.198 396 E C 0.414 176.808 176.600 -0.343 0.000 0.998 396 E CA 1.661 57.937 56.400 -0.206 0.000 0.818 396 E CB -0.667 28.752 29.700 -0.469 0.000 0.741 396 E HN 0.540 nan 8.360 nan 0.000 0.477 397 Y N -2.526 117.853 120.300 0.131 0.000 2.641 397 Y HA 0.180 4.731 4.550 0.002 0.000 0.248 397 Y C -0.213 175.695 175.900 0.012 0.000 1.170 397 Y CA -0.947 57.090 58.100 -0.104 0.000 1.201 397 Y CB 0.083 38.536 38.460 -0.012 0.000 1.232 397 Y HN -0.074 nan 8.280 nan 0.000 0.537 398 Y N 3.337 123.791 120.300 0.257 0.000 2.745 398 Y HA -0.018 4.533 4.550 0.003 0.000 0.335 398 Y C 0.685 176.844 175.900 0.432 0.000 1.212 398 Y CA -0.094 58.185 58.100 0.297 0.000 1.535 398 Y CB -0.261 38.278 38.460 0.131 0.000 1.220 398 Y HN 0.317 nan 8.280 nan 0.000 0.531 399 N N 3.945 122.536 118.700 -0.181 0.000 2.708 399 N HA -0.326 4.416 4.740 0.003 0.000 0.251 399 N C 0.947 176.457 175.510 -0.000 0.000 1.123 399 N CA 1.336 54.357 53.050 -0.049 0.000 0.739 399 N CB -1.409 36.978 38.487 -0.167 0.000 1.113 399 N HN 0.867 nan 8.380 nan 0.000 0.561 400 I N -0.477 119.929 120.570 -0.273 0.000 3.059 400 I HA -0.092 4.080 4.170 0.003 0.000 0.270 400 I C 1.749 177.288 176.117 -0.963 0.000 1.238 400 I CA 0.365 61.186 61.300 -0.798 0.000 1.478 400 I CB 0.129 37.189 38.000 -1.565 0.000 1.097 400 I HN 0.034 nan 8.210 nan 0.000 0.455 401 M N 1.547 120.601 119.600 -0.909 0.000 2.113 401 M HA -0.197 4.285 4.480 0.003 0.000 0.255 401 M C -0.624 175.499 176.300 -0.295 0.000 1.073 401 M CA 2.440 57.358 55.300 -0.637 0.000 1.091 401 M CB -2.021 30.442 32.600 -0.229 0.000 1.309 401 M HN 0.139 nan 8.290 nan 0.000 0.407 402 P HA -0.075 nan 4.420 nan 0.000 0.222 402 P C 1.035 178.318 177.300 -0.029 0.000 1.147 402 P CA 1.647 64.494 63.100 -0.422 0.000 0.790 402 P CB -0.227 30.848 31.700 -1.042 0.000 0.780 403 V N -7.380 112.464 119.914 -0.117 0.000 3.427 403 V HA 0.340 4.461 4.120 0.003 0.000 0.305 403 V C 0.488 176.591 176.094 0.015 0.000 1.412 403 V CA -0.838 61.457 62.300 -0.008 0.000 1.086 403 V CB -1.048 30.775 31.823 0.000 0.000 0.964 403 V HN -0.168 nan 8.190 nan 0.000 0.439 404 W N 1.972 123.109 121.300 -0.272 0.000 2.150 404 W HA 0.408 5.069 4.660 0.003 0.000 0.341 404 W C 0.596 176.904 176.519 -0.352 0.000 1.276 404 W CA -0.807 56.230 57.345 -0.513 0.000 1.238 404 W CB 0.816 29.621 29.460 -1.091 0.000 1.128 404 W HN 0.290 nan 8.180 nan 0.000 0.581 405 E N 2.693 122.779 120.200 -0.189 0.000 2.046 405 E HA 0.067 4.419 4.350 0.003 0.000 0.279 405 E C -0.002 176.427 176.600 -0.286 0.000 0.989 405 E CA -0.465 55.858 56.400 -0.128 0.000 0.798 405 E CB 0.271 29.845 29.700 -0.210 0.000 1.086 405 E HN 0.472 nan 8.360 nan 0.000 0.399 406 W N 2.700 123.941 121.300 -0.098 0.000 2.721 406 W HA -0.066 4.596 4.660 0.003 0.000 0.245 406 W C 0.978 177.460 176.519 -0.062 0.000 1.276 406 W CA 0.435 57.712 57.345 -0.114 0.000 1.342 406 W CB 0.161 29.616 29.460 -0.008 0.000 1.135 406 W HN 0.575 nan 8.180 nan 0.000 0.654 407 D N -0.853 119.587 120.400 0.067 0.000 2.358 407 D HA 0.036 4.678 4.640 0.003 0.000 0.224 407 D C 0.537 176.694 176.300 -0.237 0.000 1.123 407 D CA 0.109 54.094 54.000 -0.024 0.000 0.833 407 D CB -0.493 40.325 40.800 0.029 0.000 0.946 407 D HN 0.033 nan 8.370 nan 0.000 0.505 408 K N 0.724 120.920 120.400 -0.339 0.000 3.123 408 K HA 0.186 4.507 4.320 0.003 0.000 0.209 408 K C -0.386 175.877 176.600 -0.561 0.000 1.132 408 K CA -0.680 55.343 56.287 -0.440 0.000 0.992 408 K CB 0.980 33.158 32.500 -0.537 0.000 0.773 408 K HN 0.027 nan 8.250 nan 0.000 0.458 409 I N 2.502 122.745 120.570 -0.546 0.000 2.775 409 I HA 0.013 4.185 4.170 0.003 0.000 0.290 409 I C -2.094 173.777 176.117 -0.410 0.000 1.203 409 I CA -2.498 58.351 61.300 -0.752 0.000 1.433 409 I CB -0.308 37.427 38.000 -0.442 0.000 1.354 409 I HN -0.061 nan 8.210 nan 0.000 0.579 410 P HA 0.060 nan 4.420 nan 0.000 0.260 410 P C 0.844 178.206 177.300 0.102 0.000 1.172 410 P CA 1.068 64.151 63.100 -0.028 0.000 0.760 410 P CB 0.377 32.153 31.700 0.127 0.000 0.773 411 G N 2.908 111.815 108.800 0.178 0.000 2.225 411 G HA2 -0.271 3.690 3.960 0.003 0.000 0.254 411 G HA3 -0.271 3.690 3.960 0.003 0.000 0.254 411 G C 0.310 175.421 174.900 0.352 0.000 0.988 411 G CA 0.246 45.559 45.100 0.355 0.000 0.625 411 G HN 0.673 nan 8.290 nan 0.000 0.527 412 I N -0.425 120.266 120.570 0.202 0.000 2.612 412 I HA 0.763 4.935 4.170 0.003 0.000 0.295 412 I C 0.039 176.246 176.117 0.151 0.000 1.011 412 I CA -0.532 60.899 61.300 0.218 0.000 1.326 412 I CB 1.589 39.679 38.000 0.151 0.000 1.427 412 I HN -0.030 nan 8.210 nan 0.000 0.537 413 T N 4.081 118.756 114.554 0.201 0.000 2.824 413 T HA 0.540 4.891 4.350 0.003 0.000 0.280 413 T C -0.355 174.378 174.700 0.056 0.000 0.995 413 T CA -0.407 61.786 62.100 0.156 0.000 1.009 413 T CB 1.151 70.158 68.868 0.231 0.000 0.955 413 T HN 0.799 nan 8.240 nan 0.000 0.452 414 S N 1.983 117.654 115.700 -0.048 0.000 2.611 414 S HA 0.489 4.960 4.470 0.003 0.000 0.268 414 S C -1.316 173.135 174.600 -0.248 0.000 1.156 414 S CA -0.947 57.129 58.200 -0.207 0.000 0.817 414 S CB 1.175 64.129 63.200 -0.410 0.000 1.122 414 S HN 0.620 nan 8.310 nan 0.000 0.466 415 R N 1.172 121.449 120.500 -0.371 0.000 2.490 415 R HA 0.253 4.595 4.340 0.003 0.000 0.280 415 R C -0.997 174.942 176.300 -0.602 0.000 1.077 415 R CA -0.329 55.471 56.100 -0.501 0.000 1.065 415 R CB 0.408 30.265 30.300 -0.739 0.000 1.003 415 R HN 0.539 nan 8.270 nan 0.000 0.470 416 D N 3.102 123.217 120.400 -0.475 0.000 2.499 416 D HA 0.087 4.728 4.640 0.003 0.000 0.225 416 D C -0.760 175.357 176.300 -0.305 0.000 1.124 416 D CA -0.352 53.438 54.000 -0.351 0.000 0.938 416 D CB -0.137 40.503 40.800 -0.267 0.000 1.014 416 D HN 0.238 nan 8.370 nan 0.000 0.517 417 Y N 1.511 121.767 120.300 -0.074 0.000 2.426 417 Y HA 0.026 4.578 4.550 0.004 0.000 0.344 417 Y C 1.468 177.348 175.900 -0.034 0.000 1.256 417 Y CA -0.751 57.332 58.100 -0.029 0.000 1.451 417 Y CB 0.633 39.101 38.460 0.013 0.000 1.342 417 Y HN 0.237 nan 8.280 nan 0.000 0.600 418 L N 1.212 122.520 121.223 0.142 0.000 2.005 418 L HA -0.042 4.300 4.340 0.003 0.000 0.207 418 L C 0.956 177.872 176.870 0.078 0.000 1.072 418 L CA 1.933 56.816 54.840 0.072 0.000 0.744 418 L CB -0.670 41.424 42.059 0.059 0.000 0.895 418 L HN 0.805 nan 8.230 nan 0.000 0.433 419 T N -2.422 112.193 114.554 0.101 0.000 2.885 419 T HA 0.338 4.690 4.350 0.003 0.000 0.285 419 T C -0.374 174.383 174.700 0.095 0.000 1.019 419 T CA -0.995 61.154 62.100 0.081 0.000 1.010 419 T CB 1.159 70.057 68.868 0.050 0.000 1.022 419 T HN 0.023 nan 8.240 nan 0.000 0.466 420 D N 1.658 122.120 120.400 0.103 0.000 2.472 420 D HA 0.049 4.690 4.640 0.003 0.000 0.237 420 D C 0.305 176.582 176.300 -0.038 0.000 1.141 420 D CA 0.301 54.359 54.000 0.098 0.000 0.875 420 D CB 0.655 41.548 40.800 0.154 0.000 1.192 420 D HN 0.519 nan 8.370 nan 0.000 0.450 421 R N 3.552 123.972 120.500 -0.134 0.000 2.196 421 R HA 0.230 4.571 4.340 0.003 0.000 0.340 421 R C -2.200 173.983 176.300 -0.195 0.000 1.043 421 R CA -1.392 54.542 56.100 -0.277 0.000 0.883 421 R CB 0.822 30.745 30.300 -0.628 0.000 1.078 421 R HN 0.247 nan 8.270 nan 0.000 0.462 422 P HA -0.002 nan 4.420 nan 0.000 0.274 422 P C -0.429 176.750 177.300 -0.202 0.000 1.260 422 P CA -0.244 62.732 63.100 -0.207 0.000 0.793 422 P CB 0.889 32.480 31.700 -0.182 0.000 1.048 423 L N 0.473 121.569 121.223 -0.212 0.000 2.418 423 L HA 0.198 4.540 4.340 0.003 0.000 0.265 423 L C 1.832 178.614 176.870 -0.146 0.000 1.143 423 L CA 0.194 54.927 54.840 -0.179 0.000 0.809 423 L CB 0.722 42.665 42.059 -0.194 0.000 1.124 423 L HN 0.541 nan 8.230 nan 0.000 0.456 424 T N -2.769 111.720 114.554 -0.107 0.000 2.987 424 T HA 0.195 4.547 4.350 0.003 0.000 0.248 424 T C 0.673 175.323 174.700 -0.084 0.000 0.997 424 T CA -0.365 61.681 62.100 -0.089 0.000 1.013 424 T CB 0.317 69.148 68.868 -0.062 0.000 1.077 424 T HN 0.159 nan 8.240 nan 0.000 0.483 425 K N 1.832 122.193 120.400 -0.066 0.000 2.185 425 K HA 0.486 4.808 4.320 0.003 0.000 0.271 425 K C -0.570 175.957 176.600 -0.122 0.000 1.013 425 K CA -0.517 55.737 56.287 -0.054 0.000 0.943 425 K CB 0.901 33.399 32.500 -0.004 0.000 0.998 425 K HN 0.196 nan 8.250 nan 0.000 0.468 426 L N 1.396 122.535 121.223 -0.140 0.000 2.342 426 L HA 0.316 4.658 4.340 0.003 0.000 0.271 426 L C 0.042 176.805 176.870 -0.179 0.000 1.008 426 L CA -0.407 54.217 54.840 -0.359 0.000 0.818 426 L CB 0.722 42.447 42.059 -0.556 0.000 1.296 426 L HN 0.836 nan 8.230 nan 0.000 0.427 427 W N 2.028 123.344 121.300 0.026 0.000 3.105 427 W HA -0.062 4.600 4.660 0.003 0.000 0.308 427 W C 0.962 177.516 176.519 0.059 0.000 1.182 427 W CA 0.504 57.877 57.345 0.046 0.000 0.612 427 W CB -1.660 27.773 29.460 -0.045 0.000 2.238 427 W HN 1.007 nan 8.180 nan 0.000 1.307 428 G N 0.850 109.755 108.800 0.174 0.000 3.439 428 G HA2 -0.043 3.919 3.960 0.003 0.000 0.686 428 G HA3 -0.043 3.919 3.960 0.003 0.000 0.686 428 G C -0.669 174.284 174.900 0.088 0.000 1.075 428 G CA -0.427 44.749 45.100 0.126 0.000 0.926 428 G HN 0.399 nan 8.290 nan 0.000 0.485 429 E N 1.730 121.960 120.200 0.050 0.000 2.227 429 E HA 0.399 4.750 4.350 0.003 0.000 0.282 429 E C 0.764 177.395 176.600 0.051 0.000 1.015 429 E CA -0.654 55.778 56.400 0.054 0.000 0.823 429 E CB 0.678 30.413 29.700 0.058 0.000 1.081 429 E HN 0.661 nan 8.360 nan 0.000 0.396 430 Q N 3.029 122.864 119.800 0.059 0.000 2.330 430 Q HA 0.108 4.450 4.340 0.003 0.000 0.279 430 Q C 0.074 176.117 176.000 0.072 0.000 1.024 430 Q CA 0.030 55.866 55.803 0.056 0.000 0.900 430 Q CB 0.645 29.411 28.738 0.046 0.000 1.221 430 Q HN 0.715 nan 8.270 nan 0.000 0.396 431 G N 1.624 110.469 108.800 0.075 0.000 2.664 431 G HA2 0.063 4.025 3.960 0.003 0.000 0.242 431 G HA3 0.063 4.025 3.960 0.003 0.000 0.242 431 G C 0.648 175.625 174.900 0.128 0.000 1.225 431 G CA 0.092 45.259 45.100 0.111 0.000 0.849 431 G HN 0.820 nan 8.290 nan 0.000 0.581 432 S N -0.460 115.341 115.700 0.167 0.000 2.497 432 S HA 0.042 4.514 4.470 0.003 0.000 0.218 432 S C 0.794 175.477 174.600 0.139 0.000 1.023 432 S CA -0.020 58.272 58.200 0.153 0.000 0.913 432 S CB -0.100 63.212 63.200 0.187 0.000 0.800 432 S HN 0.755 nan 8.310 nan 0.000 0.505 433 N N 1.499 120.301 118.700 0.170 0.000 2.473 433 N HA 0.248 4.990 4.740 0.003 0.000 0.291 433 N C -0.647 174.972 175.510 0.182 0.000 1.083 433 N CA -0.408 52.744 53.050 0.170 0.000 0.951 433 N CB 1.338 39.933 38.487 0.180 0.000 1.164 433 N HN -0.058 nan 8.380 nan 0.000 0.480 434 D N 0.458 120.961 120.400 0.172 0.000 2.213 434 D HA -0.014 4.627 4.640 0.003 0.000 0.205 434 D C -0.334 176.078 176.300 0.186 0.000 0.961 434 D CA 0.706 54.794 54.000 0.146 0.000 0.853 434 D CB 0.166 41.037 40.800 0.119 0.000 0.967 434 D HN 0.468 nan 8.370 nan 0.000 0.496 435 F N 1.110 121.145 119.950 0.143 0.000 2.413 435 F HA 0.403 4.932 4.527 0.004 0.000 0.359 435 F C -0.240 175.713 175.800 0.255 0.000 1.122 435 F CA -0.318 57.792 58.000 0.183 0.000 1.160 435 F CB 0.516 39.650 39.000 0.222 0.000 1.146 435 F HN -0.204 nan 8.300 nan 0.000 0.514 436 A N 4.329 127.286 122.820 0.229 0.000 2.530 436 A HA 0.704 5.025 4.320 0.003 0.000 0.297 436 A C -0.553 177.128 177.584 0.161 0.000 1.059 436 A CA 0.098 52.358 52.037 0.371 0.000 0.782 436 A CB 0.648 19.904 19.000 0.428 0.000 1.301 436 A HN 1.276 nan 8.150 nan 0.000 0.394 437 G N -0.079 108.843 108.800 0.204 0.000 2.404 437 G HA2 0.830 4.792 3.960 0.003 0.000 0.253 437 G HA3 0.830 4.792 3.960 0.003 0.000 0.253 437 G C -0.110 174.884 174.900 0.158 0.000 1.253 437 G CA 0.518 45.700 45.100 0.136 0.000 0.917 437 G HN 2.584 nan 8.290 nan 0.000 0.480 438 G N -2.135 106.733 108.800 0.113 0.000 2.387 438 G HA2 0.618 4.580 3.960 0.003 0.000 0.294 438 G HA3 0.618 4.580 3.960 0.003 0.000 0.294 438 G C -1.753 173.203 174.900 0.094 0.000 1.509 438 G CA 0.426 45.596 45.100 0.116 0.000 0.806 438 G HN 1.754 nan 8.290 nan 0.000 0.546 439 V N -0.127 119.837 119.914 0.085 0.000 2.612 439 V HA 0.898 5.020 4.120 0.003 0.000 0.301 439 V C -0.064 176.038 176.094 0.014 0.000 1.046 439 V CA 0.195 62.541 62.300 0.078 0.000 0.946 439 V CB 1.718 33.608 31.823 0.111 0.000 1.003 439 V HN 1.591 nan 8.190 nan 0.000 0.459 440 S N 2.970 118.665 115.700 -0.009 0.000 2.543 440 S HA 0.424 4.895 4.470 0.003 0.000 0.271 440 S C -0.563 173.913 174.600 -0.207 0.000 1.148 440 S CA -0.110 58.035 58.200 -0.092 0.000 0.914 440 S CB 1.771 65.008 63.200 0.061 0.000 1.096 440 S HN 1.009 nan 8.310 nan 0.000 0.471 441 D N 2.296 122.434 120.400 -0.437 0.000 2.402 441 D HA 0.288 4.930 4.640 0.003 0.000 0.216 441 D C 1.295 177.419 176.300 -0.294 0.000 1.128 441 D CA 0.561 54.183 54.000 -0.631 0.000 0.833 441 D CB -0.079 39.886 40.800 -1.392 0.000 0.971 441 D HN 1.187 nan 8.370 nan 0.000 0.503 442 G N -0.646 108.021 108.800 -0.221 0.000 2.217 442 G HA2 -0.316 3.646 3.960 0.003 0.000 0.246 442 G HA3 -0.316 3.646 3.960 0.003 0.000 0.246 442 G C 0.815 175.520 174.900 -0.326 0.000 0.990 442 G CA 0.394 45.347 45.100 -0.246 0.000 0.627 442 G HN 0.400 nan 8.290 nan 0.000 0.522 443 V N -1.730 118.007 119.914 -0.296 0.000 3.165 443 V HA 0.417 4.538 4.120 0.003 0.000 0.231 443 V C 0.623 176.421 176.094 -0.494 0.000 1.365 443 V CA 0.881 62.951 62.300 -0.384 0.000 1.286 443 V CB 0.154 31.752 31.823 -0.375 0.000 1.081 443 V HN 0.292 nan 8.190 nan 0.000 0.477 444 Y N -0.210 119.886 120.300 -0.341 0.000 2.598 444 Y HA 0.844 5.396 4.550 0.004 0.000 0.340 444 Y C 0.540 175.958 175.900 -0.803 0.000 1.038 444 Y CA -0.073 57.755 58.100 -0.454 0.000 1.100 444 Y CB 2.187 40.444 38.460 -0.338 0.000 1.281 444 Y HN 0.199 nan 8.280 nan 0.000 0.488 445 G N -0.352 108.029 108.800 -0.698 0.000 2.328 445 G HA2 0.580 4.541 3.960 0.003 0.000 0.295 445 G HA3 0.580 4.541 3.960 0.003 0.000 0.295 445 G C -2.291 172.460 174.900 -0.249 0.000 1.413 445 G CA -0.246 44.500 45.100 -0.590 0.000 0.817 445 G HN 0.867 nan 8.290 nan 0.000 0.546 446 A N -0.408 122.382 122.820 -0.050 0.000 2.486 446 A HA 0.937 5.259 4.320 0.003 0.000 0.300 446 A C -0.293 177.346 177.584 0.092 0.000 1.048 446 A CA -0.185 51.855 52.037 0.006 0.000 0.696 446 A CB 1.805 20.668 19.000 -0.229 0.000 1.278 446 A HN 1.490 nan 8.150 nan 0.000 0.405 447 S N -0.401 115.441 115.700 0.237 0.000 2.599 447 S HA 0.935 5.407 4.470 0.003 0.000 0.294 447 S C -0.288 174.547 174.600 0.392 0.000 1.094 447 S CA -0.012 58.384 58.200 0.327 0.000 0.931 447 S CB 1.903 65.350 63.200 0.410 0.000 1.093 447 S HN 1.856 nan 8.310 nan 0.000 0.488 448 A N 1.285 124.380 122.820 0.459 0.000 2.539 448 A HA 0.807 5.129 4.320 0.003 0.000 0.296 448 A C -2.193 175.835 177.584 0.740 0.000 1.073 448 A CA -0.550 51.792 52.037 0.508 0.000 0.700 448 A CB 1.441 20.645 19.000 0.340 0.000 1.296 448 A HN 0.839 nan 8.150 nan 0.000 0.405 449 Y N 0.845 121.469 120.300 0.540 0.000 2.362 449 Y HA 0.586 5.138 4.550 0.003 0.000 0.326 449 Y C -0.388 175.732 175.900 0.367 0.000 1.083 449 Y CA -0.777 57.628 58.100 0.508 0.000 1.073 449 Y CB 1.598 40.408 38.460 0.583 0.000 1.211 449 Y HN 1.067 nan 8.280 nan 0.000 0.433 450 A N 7.347 130.169 122.820 0.003 0.000 2.774 450 A HA 0.467 4.789 4.320 0.003 0.000 0.326 450 A C -0.860 176.411 177.584 -0.521 0.000 1.478 450 A CA -0.554 51.357 52.037 -0.210 0.000 1.099 450 A CB -0.734 18.276 19.000 0.017 0.000 1.148 450 A HN 0.772 nan 8.150 nan 0.000 0.519 451 L N 1.594 122.356 121.223 -0.767 0.000 2.485 451 L HA 0.432 4.774 4.340 0.003 0.000 0.275 451 L C -0.366 176.419 176.870 -0.142 0.000 1.207 451 L CA 0.877 55.388 54.840 -0.549 0.000 0.855 451 L CB 0.619 42.536 42.059 -0.236 0.000 1.114 451 L HN 0.565 nan 8.230 nan 0.000 0.485 452 D N 3.467 123.887 120.400 0.034 0.000 2.362 452 D HA 0.217 4.858 4.640 0.003 0.000 0.232 452 D C -2.114 174.338 176.300 0.252 0.000 1.329 452 D CA -0.152 53.907 54.000 0.099 0.000 0.944 452 D CB -0.034 40.803 40.800 0.063 0.000 1.471 452 D HN 0.437 nan 8.370 nan 0.000 0.533 453 Y N 1.658 122.021 120.300 0.105 0.000 2.521 453 Y HA 0.328 4.879 4.550 0.003 0.000 0.332 453 Y C -0.730 175.270 175.900 0.167 0.000 1.121 453 Y CA -0.840 57.351 58.100 0.151 0.000 1.037 453 Y CB 1.448 40.041 38.460 0.221 0.000 1.330 453 Y HN 0.113 nan 8.280 nan 0.000 0.452 454 D N 3.474 123.593 120.400 -0.468 0.000 2.686 454 D HA -0.199 4.443 4.640 0.003 0.000 0.235 454 D C 0.217 176.496 176.300 -0.034 0.000 1.160 454 D CA 1.847 55.703 54.000 -0.241 0.000 0.645 454 D CB -1.180 39.602 40.800 -0.029 0.000 1.039 454 D HN 0.710 nan 8.370 nan 0.000 0.423 455 S N -2.028 113.650 115.700 -0.037 0.000 3.587 455 S HA -0.241 4.231 4.470 0.003 0.000 0.337 455 S C -0.048 174.554 174.600 0.004 0.000 1.119 455 S CA 0.876 59.071 58.200 -0.009 0.000 0.976 455 S CB -0.723 62.471 63.200 -0.010 0.000 0.922 455 S HN 0.558 nan 8.310 nan 0.000 0.503 456 L N 0.882 122.123 121.223 0.029 0.000 2.436 456 L HA 0.754 5.096 4.340 0.003 0.000 0.268 456 L C -0.824 176.065 176.870 0.031 0.000 0.974 456 L CA -0.118 54.737 54.840 0.025 0.000 0.826 456 L CB 1.928 44.011 42.059 0.040 0.000 1.291 456 L HN 0.076 nan 8.230 nan 0.000 0.406 457 Q N 3.451 123.243 119.800 -0.014 0.000 2.387 457 Q HA 0.995 5.337 4.340 0.003 0.000 0.273 457 Q C -1.264 174.687 176.000 -0.081 0.000 1.089 457 Q CA -0.296 55.480 55.803 -0.045 0.000 0.824 457 Q CB 2.439 31.140 28.738 -0.062 0.000 1.367 457 Q HN 0.958 nan 8.270 nan 0.000 0.443 458 A N 1.128 123.875 122.820 -0.121 0.000 2.590 458 A HA 0.662 4.984 4.320 0.003 0.000 0.294 458 A C -1.736 175.721 177.584 -0.212 0.000 1.046 458 A CA -0.934 51.015 52.037 -0.148 0.000 0.684 458 A CB 1.232 20.195 19.000 -0.062 0.000 1.279 458 A HN 0.334 nan 8.150 nan 0.000 0.415 459 K N 1.741 121.980 120.400 -0.268 0.000 2.367 459 K HA 0.474 4.796 4.320 0.003 0.000 0.263 459 K C -0.971 175.513 176.600 -0.193 0.000 1.000 459 K CA -0.147 55.948 56.287 -0.320 0.000 0.891 459 K CB 1.491 33.600 32.500 -0.651 0.000 1.117 459 K HN 0.642 nan 8.250 nan 0.000 0.443 460 K N 1.254 121.604 120.400 -0.083 0.000 2.270 460 K HA 0.716 5.038 4.320 0.003 0.000 0.255 460 K C -0.771 175.560 176.600 -0.448 0.000 0.936 460 K CA -0.708 55.439 56.287 -0.233 0.000 0.809 460 K CB 2.149 34.626 32.500 -0.039 0.000 1.131 460 K HN 0.613 nan 8.250 nan 0.000 0.427 461 A N 2.584 124.979 122.820 -0.709 0.000 2.515 461 A HA 0.743 5.065 4.320 0.003 0.000 0.296 461 A C -1.811 175.226 177.584 -0.912 0.000 1.094 461 A CA -0.769 50.901 52.037 -0.610 0.000 0.718 461 A CB 1.274 20.130 19.000 -0.241 0.000 1.307 461 A HN 0.679 nan 8.150 nan 0.000 0.408 462 W N 1.070 122.169 121.300 -0.336 0.000 2.715 462 W HA 0.521 5.184 4.660 0.005 0.000 0.331 462 W C -2.013 174.026 176.519 -0.800 0.000 1.031 462 W CA -0.614 56.447 57.345 -0.474 0.000 1.237 462 W CB 1.745 30.942 29.460 -0.438 0.000 1.378 462 W HN 0.537 nan 8.180 nan 0.000 0.454 463 F N 3.022 122.793 119.950 -0.299 0.000 2.375 463 F HA 0.390 4.922 4.527 0.007 0.000 0.361 463 F C -0.304 175.147 175.800 -0.581 0.000 1.117 463 F CA -0.913 56.917 58.000 -0.284 0.000 1.037 463 F CB 0.400 39.352 39.000 -0.080 0.000 1.192 463 F HN -0.014 nan 8.300 nan 0.000 0.452 464 F N 4.053 123.683 119.950 -0.533 0.000 2.391 464 F HA 0.538 5.068 4.527 0.004 0.000 0.359 464 F C -0.139 175.229 175.800 -0.720 0.000 1.122 464 F CA -0.775 56.811 58.000 -0.691 0.000 1.120 464 F CB 0.317 38.738 39.000 -0.965 0.000 1.142 464 F HN 0.288 nan 8.300 nan 0.000 0.483 465 F N 0.684 120.759 119.950 0.207 0.000 2.977 465 F HA 0.364 4.894 4.527 0.005 0.000 0.317 465 F C 1.293 177.369 175.800 0.459 0.000 1.425 465 F CA -0.620 57.602 58.000 0.370 0.000 1.038 465 F CB 0.313 39.444 39.000 0.218 0.000 1.797 465 F HN 0.219 nan 8.300 nan 0.000 0.442 466 D N -0.164 120.597 120.400 0.601 0.000 2.320 466 D HA 0.033 4.675 4.640 0.003 0.000 0.228 466 D C 1.557 178.105 176.300 0.414 0.000 0.978 466 D CA 1.033 55.290 54.000 0.428 0.000 0.905 466 D CB -0.160 40.816 40.800 0.292 0.000 1.051 466 D HN 0.320 nan 8.370 nan 0.000 0.471 467 K N 0.510 121.094 120.400 0.307 0.000 2.365 467 K HA 0.001 4.322 4.320 0.003 0.000 0.197 467 K C 0.778 177.435 176.600 0.095 0.000 1.042 467 K CA 0.568 56.965 56.287 0.183 0.000 0.987 467 K CB 0.482 33.052 32.500 0.116 0.000 0.779 467 K HN 0.279 nan 8.250 nan 0.000 0.484 468 E N 0.364 120.684 120.200 0.201 0.000 2.445 468 E HA 0.285 4.637 4.350 0.003 0.000 0.279 468 E C -1.293 175.395 176.600 0.148 0.000 1.018 468 E CA -0.881 55.577 56.400 0.097 0.000 0.816 468 E CB 1.089 30.851 29.700 0.103 0.000 1.356 468 E HN -0.148 nan 8.360 nan 0.000 0.462 469 I N 0.776 121.307 120.570 -0.065 0.000 2.439 469 I HA 0.229 4.400 4.170 0.003 0.000 0.285 469 I C -0.525 175.499 176.117 -0.155 0.000 1.021 469 I CA -0.796 60.323 61.300 -0.301 0.000 1.091 469 I CB 1.947 39.359 38.000 -0.979 0.000 1.242 469 I HN 0.337 nan 8.210 nan 0.000 0.439 470 V N 5.076 125.000 119.914 0.016 0.000 2.461 470 V HA 0.251 4.373 4.120 0.003 0.000 0.275 470 V C -0.268 175.811 176.094 -0.025 0.000 1.047 470 V CA -0.331 61.997 62.300 0.047 0.000 0.955 470 V CB 0.973 32.883 31.823 0.144 0.000 0.988 470 V HN 0.809 nan 8.190 nan 0.000 0.471 471 C N 7.159 126.307 119.300 -0.253 0.000 2.281 471 C HA 0.669 5.131 4.460 0.003 0.000 0.323 471 C C 0.024 174.897 174.990 -0.195 0.000 1.270 471 C CA -0.877 57.903 59.018 -0.396 0.000 1.559 471 C CB -0.439 26.742 27.740 -0.931 0.000 2.239 471 C HN 0.715 nan 8.230 nan 0.000 0.488 472 L N 2.970 124.108 121.223 -0.142 0.000 2.362 472 L HA 0.866 5.208 4.340 0.003 0.000 0.271 472 L C 0.416 176.882 176.870 -0.673 0.000 1.002 472 L CA -0.166 54.518 54.840 -0.260 0.000 0.818 472 L CB 1.895 43.896 42.059 -0.096 0.000 1.298 472 L HN 0.821 nan 8.230 nan 0.000 0.420 473 G N 1.125 109.147 108.800 -1.297 0.000 2.617 473 G HA2 0.811 4.773 3.960 0.003 0.000 0.306 473 G HA3 0.811 4.773 3.960 0.003 0.000 0.306 473 G C -1.542 172.963 174.900 -0.658 0.000 1.360 473 G CA -0.297 44.031 45.100 -1.286 0.000 0.983 473 G HN 0.806 nan 8.290 nan 0.000 0.496 474 A N 0.145 122.721 122.820 -0.407 0.000 2.593 474 A HA 0.882 5.204 4.320 0.003 0.000 0.290 474 A C 0.756 178.182 177.584 -0.262 0.000 1.126 474 A CA 0.193 52.059 52.037 -0.285 0.000 0.695 474 A CB 1.003 19.862 19.000 -0.235 0.000 1.290 474 A HN 2.583 nan 8.150 nan 0.000 0.414 475 G N -0.252 108.420 108.800 -0.213 0.000 2.283 475 G HA2 -0.193 3.769 3.960 0.003 0.000 0.280 475 G HA3 -0.193 3.769 3.960 0.003 0.000 0.280 475 G C 0.039 174.831 174.900 -0.179 0.000 1.029 475 G CA 0.595 45.578 45.100 -0.195 0.000 0.840 475 G HN 0.971 nan 8.290 nan 0.000 0.505 476 I N 1.078 121.537 120.570 -0.184 0.000 2.436 476 I HA 0.196 4.368 4.170 0.003 0.000 0.289 476 I C 0.226 176.263 176.117 -0.134 0.000 1.083 476 I CA -0.136 61.055 61.300 -0.181 0.000 1.372 476 I CB 0.269 38.090 38.000 -0.300 0.000 1.408 476 I HN 0.126 nan 8.210 nan 0.000 0.516 477 N N 4.469 123.108 118.700 -0.101 0.000 2.284 477 N HA 0.556 5.298 4.740 0.003 0.000 0.289 477 N C -1.279 174.200 175.510 -0.052 0.000 1.179 477 N CA -0.634 52.373 53.050 -0.071 0.000 0.774 477 N CB 2.438 40.885 38.487 -0.066 0.000 1.548 477 N HN 0.460 nan 8.380 nan 0.000 0.473 478 S N 0.232 115.907 115.700 -0.041 0.000 2.560 478 S HA 0.231 4.702 4.470 0.003 0.000 0.283 478 S C -1.397 173.187 174.600 -0.028 0.000 1.141 478 S CA -0.729 57.451 58.200 -0.032 0.000 0.902 478 S CB 0.392 63.570 63.200 -0.036 0.000 1.104 478 S HN 0.669 nan 8.310 nan 0.000 0.454 479 N N 2.227 120.913 118.700 -0.022 0.000 2.328 479 N HA 0.421 5.163 4.740 0.003 0.000 0.247 479 N C -0.050 175.450 175.510 -0.017 0.000 1.165 479 N CA -0.102 52.937 53.050 -0.019 0.000 0.873 479 N CB 0.734 39.212 38.487 -0.015 0.000 1.125 479 N HN 0.601 nan 8.380 nan 0.000 0.513 480 A N 1.185 123.991 122.820 -0.023 0.000 2.269 480 A HA 0.601 4.923 4.320 0.003 0.000 0.319 480 A C -1.387 176.177 177.584 -0.033 0.000 1.110 480 A CA -1.389 50.633 52.037 -0.024 0.000 0.847 480 A CB 1.120 20.100 19.000 -0.033 0.000 1.161 480 A HN 0.113 nan 8.150 nan 0.000 0.497 481 P HA 0.030 nan 4.420 nan 0.000 0.224 481 P C 0.022 177.289 177.300 -0.054 0.000 1.157 481 P CA 0.595 63.677 63.100 -0.031 0.000 0.799 481 P CB 0.154 31.846 31.700 -0.013 0.000 0.809 482 E N 1.107 121.249 120.200 -0.097 0.000 2.408 482 E HA 0.101 4.452 4.350 0.003 0.000 0.259 482 E C 0.503 177.030 176.600 -0.121 0.000 1.110 482 E CA -0.134 56.178 56.400 -0.146 0.000 0.929 482 E CB -0.196 29.317 29.700 -0.312 0.000 0.971 482 E HN 0.061 nan 8.360 nan 0.000 0.438 483 N N 1.196 119.832 118.700 -0.107 0.000 2.508 483 N HA 0.043 4.785 4.740 0.003 0.000 0.264 483 N C -1.014 174.446 175.510 -0.083 0.000 1.216 483 N CA -0.142 52.869 53.050 -0.064 0.000 0.943 483 N CB 0.406 38.868 38.487 -0.041 0.000 1.113 483 N HN 0.249 nan 8.380 nan 0.000 0.447 484 I N 1.808 122.371 120.570 -0.012 0.000 2.377 484 I HA 0.302 4.474 4.170 0.003 0.000 0.293 484 I C 0.417 176.605 176.117 0.119 0.000 0.987 484 I CA -0.403 60.912 61.300 0.025 0.000 1.185 484 I CB 0.529 38.571 38.000 0.069 0.000 1.341 484 I HN 0.725 nan 8.210 nan 0.000 0.455 485 T N 1.176 115.770 114.554 0.067 0.000 2.916 485 T HA 0.667 5.018 4.350 0.003 0.000 0.292 485 T C -0.312 174.449 174.700 0.102 0.000 1.055 485 T CA -0.643 61.495 62.100 0.062 0.000 1.009 485 T CB 2.038 70.851 68.868 -0.091 0.000 1.118 485 T HN 0.454 nan 8.240 nan 0.000 0.497 486 T N 2.366 116.962 114.554 0.071 0.000 2.864 486 T HA 0.480 4.832 4.350 0.003 0.000 0.299 486 T C -0.348 174.335 174.700 -0.028 0.000 1.011 486 T CA -0.468 61.657 62.100 0.040 0.000 0.975 486 T CB 1.119 69.983 68.868 -0.007 0.000 0.962 486 T HN 0.786 nan 8.240 nan 0.000 0.448 487 T N 4.628 119.164 114.554 -0.030 0.000 2.780 487 T HA 0.217 4.568 4.350 0.003 0.000 0.294 487 T C 1.293 175.959 174.700 -0.056 0.000 0.949 487 T CA -0.487 61.593 62.100 -0.033 0.000 1.074 487 T CB 0.742 69.538 68.868 -0.119 0.000 0.910 487 T HN 0.252 nan 8.240 nan 0.000 0.501 488 L N 3.014 124.151 121.223 -0.144 0.000 2.131 488 L HA 0.278 4.620 4.340 0.003 0.000 0.206 488 L C 1.173 178.108 176.870 0.108 0.000 1.087 488 L CA 1.158 55.884 54.840 -0.189 0.000 0.767 488 L CB -0.197 41.633 42.059 -0.383 0.000 0.917 488 L HN 0.528 nan 8.230 nan 0.000 0.441 489 N N -1.349 117.380 118.700 0.048 0.000 3.127 489 N HA 0.212 4.953 4.740 0.003 0.000 0.239 489 N C -1.723 173.828 175.510 0.069 0.000 1.407 489 N CA -0.514 52.655 53.050 0.198 0.000 0.891 489 N CB 1.257 40.017 38.487 0.456 0.000 1.447 489 N HN -0.019 nan 8.380 nan 0.000 0.507 490 Q N 1.527 121.454 119.800 0.212 0.000 3.258 490 Q HA 0.437 4.779 4.340 0.003 0.000 0.214 490 Q C -1.668 174.576 176.000 0.406 0.000 0.873 490 Q CA -0.350 55.541 55.803 0.147 0.000 0.752 490 Q CB 0.211 28.885 28.738 -0.107 0.000 1.396 490 Q HN 0.715 nan 8.270 nan 0.000 0.463 491 S N 0.703 116.583 115.700 0.301 0.000 2.704 491 S HA 0.629 5.101 4.470 0.003 0.000 0.296 491 S C -0.699 173.950 174.600 0.081 0.000 1.138 491 S CA -0.883 57.362 58.200 0.074 0.000 0.875 491 S CB 0.624 63.788 63.200 -0.060 0.000 1.151 491 S HN 0.499 nan 8.310 nan 0.000 0.500 492 W N 0.846 122.202 121.300 0.094 0.000 2.264 492 W HA 0.332 4.994 4.660 0.003 0.000 0.331 492 W C 0.395 177.036 176.519 0.203 0.000 1.364 492 W CA -0.566 56.840 57.345 0.102 0.000 1.253 492 W CB 0.320 29.795 29.460 0.025 0.000 1.215 492 W HN 0.522 nan 8.180 nan 0.000 0.561 493 L N 4.696 126.222 121.223 0.505 0.000 2.455 493 L HA 0.055 4.396 4.340 0.003 0.000 0.272 493 L C -0.166 176.932 176.870 0.380 0.000 1.174 493 L CA 0.683 55.786 54.840 0.438 0.000 0.869 493 L CB 0.091 42.334 42.059 0.307 0.000 1.130 493 L HN 0.484 nan 8.230 nan 0.000 0.474 494 N N 3.578 122.528 118.700 0.417 0.000 2.685 494 N HA 0.584 5.326 4.740 0.003 0.000 0.252 494 N C -0.539 174.993 175.510 0.035 0.000 1.261 494 N CA 0.604 53.727 53.050 0.122 0.000 0.768 494 N CB 0.730 39.219 38.487 0.003 0.000 1.304 494 N HN 1.033 nan 8.380 nan 0.000 0.536 495 G N 2.409 111.265 108.800 0.094 0.000 2.710 495 G HA2 -0.136 3.825 3.960 0.003 0.000 0.668 495 G HA3 -0.136 3.825 3.960 0.003 0.000 0.668 495 G C -2.838 172.147 174.900 0.143 0.000 1.320 495 G CA -0.720 44.422 45.100 0.071 0.000 0.860 495 G HN 0.448 nan 8.290 nan 0.000 0.538 496 P HA 0.471 nan 4.420 nan 0.000 0.272 496 P C -0.312 177.097 177.300 0.181 0.000 1.230 496 P CA -0.225 62.954 63.100 0.132 0.000 0.788 496 P CB 1.342 33.096 31.700 0.090 0.000 0.949 497 V N 4.061 124.081 119.914 0.177 0.000 2.311 497 V HA 0.267 4.389 4.120 0.003 0.000 0.275 497 V C 0.614 176.802 176.094 0.157 0.000 1.022 497 V CA -0.457 61.963 62.300 0.200 0.000 0.830 497 V CB 0.410 32.361 31.823 0.213 0.000 1.012 497 V HN 0.379 nan 8.190 nan 0.000 0.452 498 I N 4.792 125.469 120.570 0.179 0.000 2.385 498 I HA 0.591 4.762 4.170 0.003 0.000 0.294 498 I C 0.596 176.752 176.117 0.064 0.000 0.988 498 I CA 0.229 61.618 61.300 0.149 0.000 1.265 498 I CB 1.800 39.945 38.000 0.241 0.000 1.388 498 I HN 0.734 nan 8.210 nan 0.000 0.480 499 S N 2.252 117.817 115.700 -0.226 0.000 2.806 499 S HA 0.652 5.123 4.470 0.003 0.000 0.306 499 S C -0.005 173.891 174.600 -1.173 0.000 1.167 499 S CA -0.626 57.134 58.200 -0.732 0.000 0.847 499 S CB 1.077 64.096 63.200 -0.300 0.000 1.216 499 S HN 0.752 nan 8.310 nan 0.000 0.532 500 T N 0.575 114.292 114.554 -1.395 0.000 2.759 500 T HA 0.528 4.880 4.350 0.003 0.000 0.273 500 T C 0.767 175.286 174.700 -0.303 0.000 0.938 500 T CA 0.383 61.971 62.100 -0.854 0.000 1.197 500 T CB -1.867 nan 68.868 nan 0.000 0.887 500 T HN 2.282 nan 8.240 nan 0.000 0.540 501 A N 2.274 124.981 122.820 -0.188 0.000 1.815 501 A HA 0.450 4.772 4.320 0.003 0.000 0.239 501 A C 1.011 178.534 177.584 -0.102 0.000 1.327 501 A CA 0.881 52.870 52.037 -0.080 0.000 0.710 501 A CB -1.319 nan 19.000 nan 0.000 1.192 501 A HN 2.993 nan 8.150 nan 0.000 0.255 502 G N -0.942 107.807 108.800 -0.086 0.000 2.277 502 G HA2 0.722 4.684 3.960 0.003 0.000 0.272 502 G HA3 0.722 4.684 3.960 0.003 0.000 0.272 502 G C -0.991 173.881 174.900 -0.047 0.000 1.692 502 G CA 0.401 45.455 45.100 -0.077 0.000 0.926 502 G HN 2.322 nan 8.290 nan 0.000 0.720 503 K N 0.240 120.628 120.400 -0.019 0.000 2.292 503 K HA 0.938 5.260 4.320 0.003 0.000 0.257 503 K C -0.166 176.444 176.600 0.016 0.000 0.940 503 K CA -0.425 55.871 56.287 0.015 0.000 0.811 503 K CB 1.977 nan 32.500 nan 0.000 1.120 503 K HN 1.048 nan 8.250 nan 0.000 0.428 504 T N 1.613 116.193 114.554 0.043 0.000 2.770 504 T HA 0.609 4.961 4.350 0.003 0.000 0.283 504 T C 0.584 175.326 174.700 0.070 0.000 0.988 504 T CA -0.181 61.947 62.100 0.047 0.000 0.957 504 T CB 1.391 70.297 68.868 0.062 0.000 0.930 504 T HN 0.885 nan 8.240 nan 0.000 0.443 505 G N 1.524 110.357 108.800 0.056 0.000 2.537 505 G HA2 0.504 4.466 3.960 0.003 0.000 0.297 505 G HA3 0.504 4.466 3.960 0.003 0.000 0.297 505 G C -0.094 174.849 174.900 0.072 0.000 1.310 505 G CA -0.849 44.290 45.100 0.065 0.000 1.027 505 G HN 0.718 nan 8.290 nan 0.000 0.505 506 R N -0.745 119.800 120.500 0.075 0.000 2.697 506 R HA 0.255 4.597 4.340 0.003 0.000 0.265 506 R C 1.164 177.503 176.300 0.065 0.000 1.009 506 R CA 1.191 57.339 56.100 0.080 0.000 1.099 506 R CB -0.240 30.105 30.300 0.075 0.000 0.965 506 R HN 1.393 nan 8.270 nan 0.000 0.428 507 G N 0.844 109.685 108.800 0.069 0.000 2.273 507 G HA2 -0.296 3.665 3.960 0.003 0.000 0.280 507 G HA3 -0.296 3.665 3.960 0.003 0.000 0.280 507 G C -0.209 174.718 174.900 0.045 0.000 1.047 507 G CA 0.825 45.959 45.100 0.057 0.000 0.869 507 G HN 0.872 nan 8.290 nan 0.000 0.502 508 K N -0.494 119.932 120.400 0.044 0.000 2.395 508 K HA 0.915 5.237 4.320 0.003 0.000 0.247 508 K C -0.549 176.065 176.600 0.022 0.000 0.973 508 K CA -0.533 55.772 56.287 0.029 0.000 0.828 508 K CB 2.448 34.963 32.500 0.024 0.000 1.272 508 K HN 1.092 nan 8.250 nan 0.000 0.439 509 I N 1.574 122.149 120.570 0.010 0.000 2.534 509 I HA 0.688 4.860 4.170 0.003 0.000 0.288 509 I C -1.238 174.865 176.117 -0.024 0.000 1.077 509 I CA -0.153 61.143 61.300 -0.007 0.000 1.051 509 I CB 1.791 39.802 38.000 0.019 0.000 1.234 509 I HN 0.791 nan 8.210 nan 0.000 0.425 510 T N 5.417 119.942 114.554 -0.050 0.000 2.971 510 T HA 0.574 4.926 4.350 0.003 0.000 0.304 510 T C -1.009 173.665 174.700 -0.043 0.000 1.038 510 T CA -0.106 61.986 62.100 -0.012 0.000 1.007 510 T CB 0.952 69.842 68.868 0.038 0.000 1.055 510 T HN 0.667 nan 8.240 nan 0.000 0.451 511 T N 5.947 120.467 114.554 -0.056 0.000 2.786 511 T HA 0.758 5.109 4.350 0.003 0.000 0.283 511 T C -1.015 173.642 174.700 -0.070 0.000 0.992 511 T CA -0.450 61.531 62.100 -0.197 0.000 0.954 511 T CB 0.090 68.833 68.868 -0.208 0.000 0.934 511 T HN 0.570 nan 8.240 nan 0.000 0.440 512 F N -0.109 119.651 119.950 -0.317 0.000 2.654 512 F HA 0.647 5.175 4.527 0.001 0.000 0.308 512 F C -0.777 174.806 175.800 -0.363 0.000 1.108 512 F CA -1.552 56.262 58.000 -0.311 0.000 0.957 512 F CB 1.595 40.398 39.000 -0.328 0.000 1.309 512 F HN 0.285 nan 8.300 nan 0.000 0.446 513 K N 2.538 122.826 120.400 -0.186 0.000 2.250 513 K HA 0.694 5.016 4.320 0.003 0.000 0.285 513 K C -0.291 176.166 176.600 -0.239 0.000 1.097 513 K CA -0.324 55.804 56.287 -0.264 0.000 0.913 513 K CB 0.568 32.970 32.500 -0.163 0.000 1.179 513 K HN 0.932 nan 8.250 nan 0.000 0.462 514 A N 4.301 126.854 122.820 -0.444 0.000 2.425 514 A HA 0.146 4.468 4.320 0.003 0.000 0.249 514 A C -0.202 177.237 177.584 -0.241 0.000 1.084 514 A CA -0.381 51.360 52.037 -0.493 0.000 0.781 514 A CB 0.436 18.971 19.000 -0.775 0.000 1.019 514 A HN 0.728 nan 8.150 nan 0.000 0.490 515 Q N 0.701 120.421 119.800 -0.134 0.000 2.199 515 Q HA 0.428 4.770 4.340 0.003 0.000 0.232 515 Q C 0.718 176.760 176.000 0.070 0.000 0.969 515 Q CA -0.001 55.790 55.803 -0.019 0.000 0.925 515 Q CB 0.718 29.457 28.738 0.002 0.000 1.198 515 Q HN 0.907 nan 8.270 nan 0.000 0.494 516 G N 0.483 109.322 108.800 0.064 0.000 2.321 516 G HA2 0.012 3.973 3.960 0.003 0.000 0.237 516 G HA3 0.012 3.973 3.960 0.003 0.000 0.237 516 G C -0.060 174.910 174.900 0.117 0.000 1.282 516 G CA 0.125 45.272 45.100 0.077 0.000 0.886 516 G HN 0.718 nan 8.290 nan 0.000 0.528 517 Q N -0.860 118.966 119.800 0.044 0.000 2.465 517 Q HA -0.241 4.100 4.340 0.003 0.000 0.248 517 Q C 0.196 176.378 176.000 0.303 0.000 0.819 517 Q CA 0.631 56.475 55.803 0.069 0.000 1.219 517 Q CB -1.908 26.992 28.738 0.270 0.000 1.472 517 Q HN 0.569 nan 8.270 nan 0.000 0.630 518 F N 2.213 122.251 119.950 0.147 0.000 2.450 518 F HA 0.386 4.913 4.527 0.000 0.000 0.339 518 F C 0.262 176.354 175.800 0.486 0.000 1.146 518 F CA 0.068 58.188 58.000 0.200 0.000 1.267 518 F CB 0.544 39.586 39.000 0.070 0.000 1.178 518 F HN 0.140 nan 8.300 nan 0.000 0.585 519 W N 6.209 127.126 121.300 -0.639 0.000 3.167 519 W HA 0.693 5.352 4.660 -0.001 0.000 0.324 519 W C -2.631 173.611 176.519 -0.461 0.000 1.230 519 W CA -1.395 55.818 57.345 -0.220 0.000 1.184 519 W CB 0.859 30.393 29.460 0.124 0.000 1.414 519 W HN 0.524 nan 8.180 nan 0.000 0.551 520 L N 2.900 124.334 121.223 0.353 0.000 2.388 520 L HA 0.637 4.979 4.340 0.003 0.000 0.264 520 L C -1.230 176.010 176.870 0.616 0.000 0.998 520 L CA -1.098 53.959 54.840 0.361 0.000 0.817 520 L CB 2.420 44.733 42.059 0.423 0.000 1.338 520 L HN 0.382 nan 8.230 nan 0.000 0.414 521 L N 3.100 124.630 121.223 0.512 0.000 2.409 521 L HA 0.609 4.951 4.340 0.003 0.000 0.272 521 L C -1.244 175.806 176.870 0.301 0.000 0.980 521 L CA 0.063 55.140 54.840 0.396 0.000 0.826 521 L CB 1.470 43.732 42.059 0.339 0.000 1.268 521 L HN 0.611 nan 8.230 nan 0.000 0.407 522 H N 4.443 123.562 119.070 0.083 0.000 3.087 522 H HA 0.236 4.793 4.556 0.003 0.000 0.348 522 H C -0.883 174.363 175.328 -0.136 0.000 1.092 522 H CA -0.237 55.730 56.048 -0.136 0.000 1.285 522 H CB 1.705 31.106 29.762 -0.602 0.000 1.875 522 H HN 0.785 nan 8.280 nan 0.000 0.512 523 D N 4.087 124.027 120.400 -0.766 0.000 2.751 523 D HA -0.221 4.421 4.640 0.003 0.000 0.233 523 D C 0.825 176.985 176.300 -0.234 0.000 1.149 523 D CA 1.909 55.579 54.000 -0.551 0.000 0.682 523 D CB -1.437 38.947 40.800 -0.694 0.000 1.068 523 D HN 1.117 nan 8.370 nan 0.000 0.429 524 A N -1.481 121.247 122.820 -0.153 0.000 3.021 524 A HA -0.276 4.046 4.320 0.003 0.000 0.257 524 A C 0.644 178.172 177.584 -0.094 0.000 1.277 524 A CA 1.265 53.247 52.037 -0.091 0.000 1.012 524 A CB -2.002 16.959 19.000 -0.064 0.000 1.147 524 A HN 0.551 nan 8.150 nan 0.000 0.861 525 I N 0.261 120.772 120.570 -0.097 0.000 2.362 525 I HA 0.558 4.730 4.170 0.003 0.000 0.289 525 I C 0.903 176.890 176.117 -0.218 0.000 0.994 525 I CA -0.144 61.050 61.300 -0.176 0.000 1.158 525 I CB 1.844 39.752 38.000 -0.153 0.000 1.315 525 I HN 0.358 nan 8.210 nan 0.000 0.451 526 G N 5.181 113.804 108.800 -0.294 0.000 2.389 526 G HA2 0.570 4.532 3.960 0.003 0.000 0.317 526 G HA3 0.570 4.532 3.960 0.003 0.000 0.317 526 G C -1.490 173.218 174.900 -0.320 0.000 1.137 526 G CA -0.214 44.795 45.100 -0.152 0.000 0.870 526 G HN 0.460 nan 8.290 nan 0.000 0.496 527 Y N 0.499 120.929 120.300 0.217 0.000 2.363 527 Y HA 0.330 4.881 4.550 0.002 0.000 0.325 527 Y C -0.811 175.190 175.900 0.169 0.000 0.984 527 Y CA -0.916 57.284 58.100 0.168 0.000 1.248 527 Y CB 1.711 40.313 38.460 0.237 0.000 1.116 527 Y HN 0.589 nan 8.280 nan 0.000 0.470 528 Y N 3.787 124.102 120.300 0.025 0.000 2.341 528 Y HA 0.629 5.179 4.550 -0.000 0.000 0.337 528 Y C -1.616 174.241 175.900 -0.072 0.000 1.014 528 Y CA -2.068 56.118 58.100 0.142 0.000 1.111 528 Y CB 0.695 39.308 38.460 0.256 0.000 1.194 528 Y HN 0.451 nan 8.280 nan 0.000 0.462 529 F N 8.463 128.320 119.950 -0.154 0.000 2.359 529 F HA 0.393 4.920 4.527 0.000 0.000 0.369 529 F C -1.840 173.751 175.800 -0.349 0.000 1.084 529 F CA -2.481 55.466 58.000 -0.088 0.000 1.096 529 F CB 1.160 40.229 39.000 0.116 0.000 1.335 529 F HN 0.462 nan 8.300 nan 0.000 0.457 530 P HA -0.200 nan 4.420 nan 0.000 0.216 530 P C 0.522 177.817 177.300 -0.008 0.000 1.154 530 P CA 1.741 64.763 63.100 -0.130 0.000 0.865 530 P CB 0.277 31.989 31.700 0.021 0.000 0.789 531 E N -1.333 118.905 120.200 0.063 0.000 2.558 531 E HA 0.344 4.695 4.350 0.003 0.000 0.205 531 E C 0.784 177.434 176.600 0.082 0.000 1.006 531 E CA -0.086 56.354 56.400 0.067 0.000 0.961 531 E CB 0.199 29.937 29.700 0.064 0.000 1.044 531 E HN 0.110 nan 8.360 nan 0.000 0.465 532 G N 1.419 110.294 108.800 0.125 0.000 2.750 532 G HA2 0.014 3.976 3.960 0.003 0.000 0.228 532 G HA3 0.014 3.976 3.960 0.003 0.000 0.228 532 G C -0.386 174.530 174.900 0.027 0.000 1.367 532 G CA -0.568 44.568 45.100 0.059 0.000 0.871 532 G HN 0.662 nan 8.290 nan 0.000 0.560 533 A N -1.054 121.667 122.820 -0.164 0.000 2.550 533 A HA 0.610 4.932 4.320 0.003 0.000 0.295 533 A C -0.759 176.603 177.584 -0.370 0.000 1.001 533 A CA 0.013 51.934 52.037 -0.194 0.000 0.660 533 A CB 0.457 19.375 19.000 -0.136 0.000 1.308 533 A HN 1.343 nan 8.150 nan 0.000 0.426 534 N N 1.463 119.969 118.700 -0.323 0.000 2.482 534 N HA 0.423 5.164 4.740 0.003 0.000 0.242 534 N C -0.766 174.412 175.510 -0.554 0.000 1.100 534 N CA 0.230 53.041 53.050 -0.398 0.000 0.946 534 N CB 0.407 38.733 38.487 -0.268 0.000 1.227 534 N HN 0.544 nan 8.380 nan 0.000 0.508 535 L N 0.634 121.357 121.223 -0.832 0.000 2.360 535 L HA 0.441 4.783 4.340 0.003 0.000 0.271 535 L C 0.509 176.737 176.870 -1.071 0.000 1.057 535 L CA -0.429 53.808 54.840 -1.005 0.000 0.803 535 L CB 1.249 42.552 42.059 -1.260 0.000 1.207 535 L HN 0.211 nan 8.230 nan 0.000 0.445 536 S N 2.421 117.419 115.700 -1.169 0.000 2.672 536 S HA 0.562 5.034 4.470 0.003 0.000 0.291 536 S C -1.154 172.718 174.600 -1.212 0.000 1.145 536 S CA -0.423 57.011 58.200 -1.277 0.000 1.013 536 S CB 1.659 63.705 63.200 -1.925 0.000 1.017 536 S HN 0.350 nan 8.310 nan 0.000 0.487 537 L N 3.551 124.379 121.223 -0.659 0.000 2.341 537 L HA 0.845 5.186 4.340 0.003 0.000 0.278 537 L C -0.434 176.287 176.870 -0.249 0.000 1.005 537 L CA 0.136 54.734 54.840 -0.403 0.000 0.818 537 L CB 1.814 43.805 42.059 -0.114 0.000 1.259 537 L HN 0.561 nan 8.230 nan 0.000 0.418 538 S N 1.789 117.378 115.700 -0.185 0.000 2.521 538 S HA 0.709 5.180 4.470 0.003 0.000 0.295 538 S C 0.097 174.682 174.600 -0.025 0.000 1.098 538 S CA 0.179 58.360 58.200 -0.033 0.000 0.999 538 S CB 1.299 64.567 63.200 0.113 0.000 1.034 538 S HN 0.840 nan 8.310 nan 0.000 0.483 539 T N 1.130 115.707 114.554 0.039 0.000 3.337 539 T HA 0.350 4.701 4.350 0.003 0.000 0.299 539 T C 0.126 174.882 174.700 0.093 0.000 0.998 539 T CA -0.444 61.708 62.100 0.088 0.000 0.948 539 T CB -0.151 68.781 68.868 0.107 0.000 1.170 539 T HN 0.633 nan 8.240 nan 0.000 0.508 540 Q N 1.355 121.201 119.800 0.078 0.000 2.396 540 Q HA 0.494 4.836 4.340 0.003 0.000 0.221 540 Q C 0.087 176.144 176.000 0.096 0.000 1.025 540 Q CA -0.507 55.342 55.803 0.077 0.000 0.946 540 Q CB 0.712 29.489 28.738 0.065 0.000 1.224 540 Q HN 0.349 nan 8.270 nan 0.000 0.539 541 S N 0.259 116.012 115.700 0.089 0.000 2.545 541 S HA 0.147 4.619 4.470 0.003 0.000 0.275 541 S C -0.815 173.839 174.600 0.091 0.000 1.299 541 S CA -0.407 57.855 58.200 0.104 0.000 1.048 541 S CB 0.476 63.727 63.200 0.084 0.000 0.938 541 S HN 0.421 nan 8.310 nan 0.000 0.496 542 Q N 1.840 121.705 119.800 0.109 0.000 2.387 542 Q HA 0.649 4.991 4.340 0.003 0.000 0.273 542 Q C -1.186 174.865 176.000 0.085 0.000 1.089 542 Q CA -1.129 54.721 55.803 0.079 0.000 0.824 542 Q CB 1.995 30.770 28.738 0.061 0.000 1.367 542 Q HN 0.716 nan 8.270 nan 0.000 0.443 543 K N -0.941 119.493 120.400 0.057 0.000 2.522 543 K HA 0.929 5.250 4.320 0.003 0.000 0.275 543 K C -0.678 175.934 176.600 0.020 0.000 1.006 543 K CA -0.664 55.650 56.287 0.045 0.000 0.890 543 K CB 1.416 33.937 32.500 0.036 0.000 1.475 543 K HN 0.765 nan 8.250 nan 0.000 0.441 544 G N 0.007 108.807 108.800 0.001 0.000 2.336 544 G HA2 0.326 4.288 3.960 0.003 0.000 0.300 544 G HA3 0.326 4.288 3.960 0.003 0.000 0.300 544 G C -1.983 172.919 174.900 0.004 0.000 1.375 544 G CA -0.578 44.491 45.100 -0.053 0.000 0.885 544 G HN 1.071 nan 8.290 nan 0.000 0.599 545 N N -1.749 116.987 118.700 0.061 0.000 2.457 545 N HA 0.582 5.324 4.740 0.003 0.000 0.290 545 N C 0.400 176.086 175.510 0.293 0.000 1.232 545 N CA -1.159 51.999 53.050 0.181 0.000 0.852 545 N CB 1.088 39.719 38.487 0.240 0.000 1.313 545 N HN 0.577 nan 8.380 nan 0.000 0.522 546 W N -0.948 120.516 121.300 0.273 0.000 2.436 546 W HA 0.110 4.772 4.660 0.003 0.000 0.284 546 W C 1.714 178.366 176.519 0.223 0.000 1.225 546 W CA 0.025 57.492 57.345 0.203 0.000 1.271 546 W CB -0.428 29.120 29.460 0.148 0.000 1.114 546 W HN 0.581 nan 8.180 nan 0.000 0.559 547 F N 1.753 121.930 119.950 0.378 0.000 2.063 547 F HA -0.368 4.160 4.527 0.003 0.000 0.298 547 F C 2.980 178.893 175.800 0.188 0.000 1.109 547 F CA 2.440 60.589 58.000 0.249 0.000 1.212 547 F CB -0.923 38.191 39.000 0.189 0.000 0.973 547 F HN 0.080 nan 8.300 nan 0.000 0.480 548 H N 0.767 119.895 119.070 0.097 0.000 2.560 548 H HA -0.088 4.469 4.556 0.003 0.000 0.283 548 H C 1.579 176.794 175.328 -0.188 0.000 1.028 548 H CA 1.702 57.710 56.048 -0.067 0.000 1.221 548 H CB -1.080 28.708 29.762 0.043 0.000 1.363 548 H HN 0.581 nan 8.280 nan 0.000 0.594 549 I N -3.399 116.884 120.570 -0.478 0.000 4.227 549 I HA 0.333 4.504 4.170 0.003 0.000 0.334 549 I C -0.096 175.856 176.117 -0.276 0.000 1.341 549 I CA -0.261 60.720 61.300 -0.532 0.000 1.123 549 I CB 0.543 38.178 38.000 -0.609 0.000 1.097 549 I HN -0.043 nan 8.210 nan 0.000 0.399 550 N N 1.943 120.547 118.700 -0.160 0.000 2.812 550 N HA 0.178 4.920 4.740 0.003 0.000 0.262 550 N C -0.809 174.626 175.510 -0.125 0.000 1.241 550 N CA -0.248 52.764 53.050 -0.063 0.000 0.854 550 N CB 0.782 39.369 38.487 0.167 0.000 1.506 550 N HN 0.166 nan 8.380 nan 0.000 0.576 551 N N 0.137 118.626 118.700 -0.352 0.000 2.635 551 N HA -0.047 4.695 4.740 0.003 0.000 0.191 551 N C 0.519 176.016 175.510 -0.021 0.000 1.155 551 N CA 0.435 53.189 53.050 -0.494 0.000 0.927 551 N CB 0.306 38.513 38.487 -0.467 0.000 0.976 551 N HN 0.311 nan 8.380 nan 0.000 0.448 552 S N -0.531 115.137 115.700 -0.053 0.000 2.575 552 S HA 0.080 4.551 4.470 0.003 0.000 0.215 552 S C 0.042 174.370 174.600 -0.452 0.000 0.966 552 S CA 0.153 58.234 58.200 -0.199 0.000 0.911 552 S CB 0.146 63.174 63.200 -0.287 0.000 0.780 552 S HN 0.349 nan 8.310 nan 0.000 0.514 553 H N 0.262 119.437 119.070 0.175 0.000 2.855 553 H HA 0.355 4.913 4.556 0.003 0.000 0.363 553 H C -0.016 175.494 175.328 0.303 0.000 1.185 553 H CA -0.805 55.349 56.048 0.177 0.000 1.174 553 H CB 1.104 30.921 29.762 0.092 0.000 1.857 553 H HN 0.068 nan 8.280 nan 0.000 0.565 554 S N 0.149 116.060 115.700 0.353 0.000 2.573 554 S HA -0.084 4.388 4.470 0.003 0.000 0.297 554 S C 0.947 175.746 174.600 0.331 0.000 1.280 554 S CA 0.073 58.438 58.200 0.274 0.000 1.061 554 S CB 0.195 63.530 63.200 0.224 0.000 0.812 554 S HN 0.527 nan 8.310 nan 0.000 0.500 555 K N 2.186 122.681 120.400 0.159 0.000 2.404 555 K HA 0.100 4.422 4.320 0.003 0.000 0.194 555 K C -0.138 176.527 176.600 0.109 0.000 1.023 555 K CA -0.101 56.247 56.287 0.102 0.000 1.094 555 K CB 0.099 32.493 32.500 -0.177 0.000 0.841 555 K HN 0.601 nan 8.250 nan 0.000 0.523 556 D N 2.565 123.045 120.400 0.133 0.000 2.423 556 D HA -0.055 4.587 4.640 0.003 0.000 0.238 556 D C -0.069 176.307 176.300 0.127 0.000 1.142 556 D CA 0.398 54.465 54.000 0.111 0.000 0.884 556 D CB 0.776 41.645 40.800 0.115 0.000 1.199 556 D HN 0.151 nan 8.370 nan 0.000 0.438 557 E N 0.841 121.091 120.200 0.083 0.000 2.313 557 E HA 0.291 4.643 4.350 0.003 0.000 0.276 557 E C -0.732 175.913 176.600 0.075 0.000 1.031 557 E CA -0.741 55.699 56.400 0.066 0.000 0.857 557 E CB 0.929 30.652 29.700 0.038 0.000 1.040 557 E HN 0.228 nan 8.360 nan 0.000 0.408 558 V N 1.165 121.117 119.914 0.063 0.000 2.628 558 V HA 0.749 4.871 4.120 0.003 0.000 0.306 558 V C -0.472 175.660 176.094 0.063 0.000 1.045 558 V CA -0.605 61.736 62.300 0.068 0.000 0.905 558 V CB 1.770 33.626 31.823 0.055 0.000 0.997 558 V HN 0.597 nan 8.190 nan 0.000 0.436 559 S N 1.626 117.370 115.700 0.074 0.000 2.632 559 S HA 1.029 5.500 4.470 0.003 0.000 0.289 559 S C -0.033 174.636 174.600 0.116 0.000 1.115 559 S CA -0.186 58.069 58.200 0.092 0.000 0.889 559 S CB 1.890 65.128 63.200 0.063 0.000 1.116 559 S HN 1.782 nan 8.310 nan 0.000 0.486 560 G N 0.754 109.665 108.800 0.185 0.000 2.473 560 G HA2 0.428 4.390 3.960 0.003 0.000 0.298 560 G HA3 0.428 4.390 3.960 0.003 0.000 0.298 560 G C -2.395 172.702 174.900 0.327 0.000 1.575 560 G CA -0.855 44.382 45.100 0.229 0.000 0.846 560 G HN 0.487 nan 8.290 nan 0.000 0.585 561 D N 0.334 120.892 120.400 0.263 0.000 2.383 561 D HA 0.409 5.051 4.640 0.003 0.000 0.252 561 D C 0.143 176.670 176.300 0.378 0.000 1.166 561 D CA 0.310 54.462 54.000 0.253 0.000 0.879 561 D CB 1.911 42.821 40.800 0.183 0.000 1.164 561 D HN 0.185 nan 8.370 nan 0.000 0.462 562 V N 3.577 123.648 119.914 0.262 0.000 2.495 562 V HA 0.244 4.366 4.120 0.003 0.000 0.298 562 V C -0.332 175.866 176.094 0.174 0.000 1.031 562 V CA -1.046 61.378 62.300 0.207 0.000 0.871 562 V CB 1.600 33.465 31.823 0.071 0.000 0.988 562 V HN 0.348 nan 8.190 nan 0.000 0.432 563 F N 5.618 125.582 119.950 0.023 0.000 2.404 563 F HA 0.539 5.067 4.527 0.002 0.000 0.359 563 F C 0.094 175.876 175.800 -0.031 0.000 1.134 563 F CA -0.255 57.683 58.000 -0.103 0.000 1.160 563 F CB 0.307 39.105 39.000 -0.337 0.000 1.186 563 F HN 0.442 nan 8.300 nan 0.000 0.526 564 K N 7.275 127.370 120.400 -0.508 0.000 2.463 564 K HA 0.599 4.920 4.320 0.003 0.000 0.255 564 K C -2.272 174.076 176.600 -0.420 0.000 0.942 564 K CA -0.944 55.135 56.287 -0.347 0.000 0.814 564 K CB 1.367 33.848 32.500 -0.031 0.000 1.122 564 K HN 0.700 nan 8.250 nan 0.000 0.425 565 L N 6.214 127.170 121.223 -0.445 0.000 2.409 565 L HA 0.719 5.061 4.340 0.003 0.000 0.272 565 L C -1.926 174.895 176.870 -0.082 0.000 0.980 565 L CA -0.083 54.512 54.840 -0.408 0.000 0.826 565 L CB 0.975 42.643 42.059 -0.653 0.000 1.268 565 L HN 0.794 nan 8.230 nan 0.000 0.407 566 W N 4.177 125.272 121.300 -0.343 0.000 3.042 566 W HA 0.802 5.465 4.660 0.004 0.000 0.342 566 W C -1.914 174.414 176.519 -0.318 0.000 1.240 566 W CA -1.126 56.033 57.345 -0.308 0.000 1.166 566 W CB 0.615 29.911 29.460 -0.273 0.000 1.469 566 W HN 0.391 nan 8.180 nan 0.000 0.579 567 I N 3.001 123.501 120.570 -0.117 0.000 2.437 567 I HA 0.253 4.424 4.170 0.003 0.000 0.298 567 I C -0.382 175.574 176.117 -0.268 0.000 0.984 567 I CA -1.074 60.049 61.300 -0.295 0.000 1.214 567 I CB 1.197 39.024 38.000 -0.288 0.000 1.365 567 I HN 0.379 nan 8.210 nan 0.000 0.469 568 N N 5.199 123.705 118.700 -0.323 0.000 2.444 568 N HA 0.250 4.991 4.740 0.003 0.000 0.262 568 N C 0.204 175.557 175.510 -0.261 0.000 0.974 568 N CA -0.442 52.490 53.050 -0.198 0.000 0.933 568 N CB 1.285 39.693 38.487 -0.132 0.000 1.137 568 N HN 0.557 nan 8.380 nan 0.000 0.498 569 H N 1.084 120.167 119.070 0.021 0.000 2.592 569 H HA 0.178 4.736 4.556 0.002 0.000 0.265 569 H C 1.372 176.696 175.328 -0.006 0.000 0.955 569 H CA 0.520 56.577 56.048 0.016 0.000 1.175 569 H CB 0.683 30.467 29.762 0.037 0.000 1.433 569 H HN 0.828 nan 8.280 nan 0.000 0.537 570 G N 0.608 109.449 108.800 0.069 0.000 2.756 570 G HA2 -0.053 3.909 3.960 0.003 0.000 0.678 570 G HA3 -0.053 3.909 3.960 0.003 0.000 0.678 570 G C -0.272 174.642 174.900 0.024 0.000 1.349 570 G CA -0.407 44.710 45.100 0.027 0.000 0.847 570 G HN 0.551 nan 8.290 nan 0.000 0.548 571 A N 0.017 122.836 122.820 -0.001 0.000 2.351 571 A HA 0.757 5.079 4.320 0.003 0.000 0.257 571 A C 1.359 178.937 177.584 -0.010 0.000 1.087 571 A CA 0.870 52.898 52.037 -0.015 0.000 0.798 571 A CB 0.092 19.078 19.000 -0.023 0.000 1.033 571 A HN 1.880 nan 8.150 nan 0.000 0.488 572 R N -0.499 119.990 120.500 -0.019 0.000 3.158 572 R HA -0.131 4.211 4.340 0.003 0.000 0.244 572 R C -2.239 174.052 176.300 -0.015 0.000 0.900 572 R CA 0.620 56.709 56.100 -0.019 0.000 0.618 572 R CB -1.887 28.402 30.300 -0.018 0.000 1.061 572 R HN 0.701 nan 8.270 nan 0.000 0.471 573 P HA 0.002 nan 4.420 nan 0.000 0.272 573 P C -0.577 176.704 177.300 -0.032 0.000 1.230 573 P CA 0.176 63.269 63.100 -0.012 0.000 0.788 573 P CB 0.808 32.502 31.700 -0.010 0.000 0.949 574 E N 1.713 121.894 120.200 -0.032 0.000 2.279 574 E HA 0.165 4.517 4.350 0.003 0.000 0.252 574 E C -0.320 176.250 176.600 -0.049 0.000 0.894 574 E CA -0.572 55.803 56.400 -0.040 0.000 0.785 574 E CB -0.061 29.621 29.700 -0.030 0.000 1.237 574 E HN 0.398 nan 8.360 nan 0.000 0.418 575 N N 2.411 121.069 118.700 -0.069 0.000 2.747 575 N HA -0.236 4.505 4.740 0.003 0.000 0.249 575 N C -0.913 174.547 175.510 -0.082 0.000 1.107 575 N CA 0.998 53.999 53.050 -0.082 0.000 0.707 575 N CB -1.027 37.420 38.487 -0.066 0.000 1.054 575 N HN 0.617 nan 8.380 nan 0.000 0.555 576 A N -0.046 122.720 122.820 -0.090 0.000 2.366 576 A HA 0.493 4.814 4.320 0.003 0.000 0.250 576 A C 0.659 178.174 177.584 -0.114 0.000 1.099 576 A CA 0.811 52.803 52.037 -0.074 0.000 0.794 576 A CB 0.376 19.328 19.000 -0.080 0.000 1.056 576 A HN 0.625 nan 8.150 nan 0.000 0.499 577 Q N -1.334 118.447 119.800 -0.033 0.000 2.648 577 Q HA 0.704 5.046 4.340 0.003 0.000 0.300 577 Q C -1.644 174.459 176.000 0.172 0.000 0.954 577 Q CA -0.844 54.923 55.803 -0.060 0.000 0.757 577 Q CB 1.538 30.225 28.738 -0.085 0.000 1.482 577 Q HN 1.251 nan 8.270 nan 0.000 0.437 578 Y N -2.390 117.997 120.300 0.145 0.000 2.656 578 Y HA 0.899 5.451 4.550 0.003 0.000 0.334 578 Y C -2.091 173.909 175.900 0.166 0.000 1.179 578 Y CA -0.742 57.499 58.100 0.236 0.000 1.050 578 Y CB 1.453 40.148 38.460 0.391 0.000 1.308 578 Y HN 0.992 nan 8.280 nan 0.000 0.456 579 A N 2.454 125.580 122.820 0.510 0.000 2.480 579 A HA 0.690 5.012 4.320 0.003 0.000 0.289 579 A C -2.262 175.548 177.584 0.376 0.000 1.044 579 A CA -0.593 51.629 52.037 0.308 0.000 0.761 579 A CB 0.364 19.438 19.000 0.124 0.000 1.289 579 A HN 1.523 nan 8.150 nan 0.000 0.401 580 Y N 0.228 120.644 120.300 0.193 0.000 2.513 580 Y HA 0.835 5.386 4.550 0.002 0.000 0.340 580 Y C -1.311 174.611 175.900 0.038 0.000 1.055 580 Y CA -1.546 56.527 58.100 -0.045 0.000 1.020 580 Y CB 1.154 39.506 38.460 -0.179 0.000 1.301 580 Y HN 0.485 nan 8.280 nan 0.000 0.453 581 I N 4.036 124.696 120.570 0.150 0.000 2.378 581 I HA 0.480 4.651 4.170 0.003 0.000 0.291 581 I C -0.841 175.372 176.117 0.161 0.000 0.992 581 I CA -1.335 60.062 61.300 0.162 0.000 1.154 581 I CB 1.923 40.107 38.000 0.306 0.000 1.315 581 I HN 0.492 nan 8.210 nan 0.000 0.448 582 V N 7.452 127.423 119.914 0.094 0.000 2.407 582 V HA 0.309 4.431 4.120 0.003 0.000 0.278 582 V C -0.226 175.777 176.094 -0.152 0.000 1.037 582 V CA -0.463 61.837 62.300 -0.001 0.000 0.900 582 V CB 1.475 33.418 31.823 0.201 0.000 0.983 582 V HN 0.390 nan 8.190 nan 0.000 0.459 583 L N 8.167 129.228 121.223 -0.270 0.000 2.384 583 L HA 0.479 4.820 4.340 0.003 0.000 0.261 583 L C -2.562 174.124 176.870 -0.308 0.000 1.024 583 L CA -1.277 53.375 54.840 -0.313 0.000 0.899 583 L CB 1.283 43.092 42.059 -0.417 0.000 1.243 583 L HN 0.432 nan 8.230 nan 0.000 0.449 584 P HA 0.406 nan 4.420 nan 0.000 0.280 584 P C 0.729 177.946 177.300 -0.139 0.000 1.244 584 P CA -0.109 62.806 63.100 -0.308 0.000 0.784 584 P CB 1.344 32.623 31.700 -0.703 0.000 0.913 585 G N 2.598 111.365 108.800 -0.055 0.000 2.165 585 G HA2 -0.164 3.798 3.960 0.003 0.000 0.226 585 G HA3 -0.164 3.798 3.960 0.003 0.000 0.226 585 G C -0.160 174.710 174.900 -0.050 0.000 1.035 585 G CA -0.666 44.431 45.100 -0.004 0.000 0.744 585 G HN 0.407 nan 8.290 nan 0.000 0.501 586 I N 1.168 121.682 120.570 -0.094 0.000 2.352 586 I HA 0.245 4.416 4.170 0.003 0.000 0.290 586 I C 0.685 176.754 176.117 -0.079 0.000 1.036 586 I CA -0.440 60.791 61.300 -0.115 0.000 1.336 586 I CB 1.101 39.003 38.000 -0.163 0.000 1.407 586 I HN 0.079 nan 8.210 nan 0.000 0.497 587 N N 5.511 124.171 118.700 -0.066 0.000 2.282 587 N HA 0.114 4.856 4.740 0.003 0.000 0.185 587 N C -0.069 175.415 175.510 -0.043 0.000 1.099 587 N CA 0.266 53.289 53.050 -0.045 0.000 0.878 587 N CB 1.051 39.520 38.487 -0.030 0.000 0.993 587 N HN 0.536 nan 8.380 nan 0.000 0.481 588 K N 0.098 120.461 120.400 -0.062 0.000 2.535 588 K HA 0.289 4.611 4.320 0.003 0.000 0.251 588 K C -2.174 174.370 176.600 -0.093 0.000 0.942 588 K CA -1.634 54.620 56.287 -0.055 0.000 0.798 588 K CB 3.050 35.523 32.500 -0.046 0.000 1.267 588 K HN -0.342 nan 8.250 nan 0.000 0.434 589 P HA -0.243 nan 4.420 nan 0.000 0.217 589 P C 0.303 177.468 177.300 -0.225 0.000 1.148 589 P CA 1.428 64.457 63.100 -0.118 0.000 0.834 589 P CB 0.316 32.051 31.700 0.057 0.000 0.783 590 E N -0.092 120.035 120.200 -0.121 0.000 2.085 590 E HA -0.225 4.126 4.350 0.003 0.000 0.194 590 E C 1.908 178.407 176.600 -0.168 0.000 0.994 590 E CA 1.072 57.404 56.400 -0.113 0.000 0.801 590 E CB -0.612 29.053 29.700 -0.058 0.000 0.743 590 E HN 0.423 nan 8.360 nan 0.000 0.453 591 E N 0.331 120.429 120.200 -0.170 0.000 2.273 591 E HA -0.196 4.156 4.350 0.003 0.000 0.198 591 E C 2.060 178.502 176.600 -0.264 0.000 1.002 591 E CA 1.328 57.621 56.400 -0.178 0.000 0.828 591 E CB -0.179 29.427 29.700 -0.156 0.000 0.747 591 E HN 0.545 nan 8.360 nan 0.000 0.491 592 I N -3.187 117.137 120.570 -0.412 0.000 4.139 592 I HA 0.123 4.294 4.170 0.003 0.000 0.320 592 I C 2.029 177.748 176.117 -0.664 0.000 1.290 592 I CA -0.238 60.720 61.300 -0.570 0.000 1.253 592 I CB 0.078 37.627 38.000 -0.751 0.000 1.122 592 I HN -0.198 nan 8.210 nan 0.000 0.421 593 K N 3.124 123.148 120.400 -0.627 0.000 2.218 593 K HA -0.161 4.160 4.320 0.003 0.000 0.205 593 K C 1.489 178.024 176.600 -0.108 0.000 1.046 593 K CA 2.108 58.184 56.287 -0.352 0.000 0.933 593 K CB -0.055 32.382 32.500 -0.105 0.000 0.728 593 K HN 0.538 nan 8.250 nan 0.000 0.454 594 K N -0.221 120.111 120.400 -0.113 0.000 2.618 594 K HA 0.041 4.363 4.320 0.003 0.000 0.207 594 K C 0.877 177.445 176.600 -0.053 0.000 1.058 594 K CA -0.154 56.106 56.287 -0.045 0.000 1.086 594 K CB -0.655 nan 32.500 nan 0.000 0.827 594 K HN 0.212 nan 8.250 nan 0.000 0.481 595 Y N 1.055 121.192 120.300 -0.271 0.000 2.314 595 Y HA -0.140 4.414 4.550 0.008 0.000 0.293 595 Y C 2.492 178.168 175.900 -0.373 0.000 1.129 595 Y CA 1.883 59.761 58.100 -0.370 0.000 1.201 595 Y CB -0.608 37.521 38.460 -0.552 0.000 0.999 595 Y HN 0.479 nan 8.280 nan 0.000 0.541 596 N N 0.183 118.710 118.700 -0.288 0.000 2.334 596 N HA -0.166 4.576 4.740 0.003 0.000 0.187 596 N C 1.936 177.323 175.510 -0.204 0.000 1.016 596 N CA 1.397 54.352 53.050 -0.159 0.000 0.879 596 N CB -1.456 nan 38.487 nan 0.000 0.965 596 N HN 0.511 nan 8.380 nan 0.000 0.438 597 G N -1.432 107.250 108.800 -0.196 0.000 2.985 597 G HA2 0.237 4.199 3.960 0.003 0.000 0.209 597 G HA3 0.237 4.199 3.960 0.003 0.000 0.209 597 G C 1.098 175.862 174.900 -0.227 0.000 1.165 597 G CA 1.552 46.555 45.100 -0.161 0.000 0.776 597 G HN 0.881 nan 8.290 nan 0.000 0.541 598 T N -3.718 110.610 114.554 -0.376 0.000 3.403 598 T HA 0.618 4.970 4.350 0.003 0.000 0.308 598 T C 0.635 174.954 174.700 -0.636 0.000 0.952 598 T CA 0.378 62.247 62.100 -0.385 0.000 0.970 598 T CB 0.416 69.150 68.868 -0.223 0.000 1.189 598 T HN 0.312 nan 8.240 nan 0.000 0.528 599 A N 2.575 124.858 122.820 -0.895 0.000 2.371 599 A HA 0.697 5.019 4.320 0.003 0.000 0.257 599 A C -2.353 174.856 177.584 -0.625 0.000 1.089 599 A CA -1.290 50.127 52.037 -1.033 0.000 0.794 599 A CB -0.265 18.101 19.000 -1.057 0.000 1.029 599 A HN 0.330 nan 8.150 nan 0.000 0.488 600 P HA 0.132 nan 4.420 nan 0.000 0.268 600 P C -0.521 176.567 177.300 -0.352 0.000 1.208 600 P CA -0.002 62.720 63.100 -0.631 0.000 0.777 600 P CB 0.426 31.756 31.700 -0.616 0.000 0.875 601 K N 2.163 122.386 120.400 -0.295 0.000 2.213 601 K HA 0.305 4.627 4.320 0.003 0.000 0.270 601 K C -0.951 175.586 176.600 -0.106 0.000 1.002 601 K CA -0.702 55.498 56.287 -0.146 0.000 0.868 601 K CB 0.626 33.081 32.500 -0.074 0.000 1.093 601 K HN 0.118 nan 8.250 nan 0.000 0.454 602 V N 7.244 127.097 119.914 -0.102 0.000 2.446 602 V HA -0.001 4.121 4.120 0.003 0.000 0.276 602 V C 1.327 177.365 176.094 -0.094 0.000 1.030 602 V CA 0.118 62.337 62.300 -0.134 0.000 1.033 602 V CB 0.648 32.403 31.823 -0.114 0.000 0.993 602 V HN 0.867 nan 8.190 nan 0.000 0.477 603 L N 4.191 125.350 121.223 -0.106 0.000 2.162 603 L HA 0.375 4.716 4.340 0.003 0.000 0.205 603 L C 0.964 177.786 176.870 -0.079 0.000 1.086 603 L CA 1.079 55.877 54.840 -0.069 0.000 0.778 603 L CB -0.021 42.001 42.059 -0.061 0.000 0.928 603 L HN 0.764 nan 8.230 nan 0.000 0.446 604 A N -0.340 122.412 122.820 -0.113 0.000 2.594 604 A HA 0.605 4.926 4.320 0.003 0.000 0.296 604 A C -1.376 176.143 177.584 -0.108 0.000 1.061 604 A CA -0.419 51.561 52.037 -0.095 0.000 0.689 604 A CB 1.248 20.196 19.000 -0.087 0.000 1.280 604 A HN 0.038 nan 8.150 nan 0.000 0.406 605 N N 0.682 119.330 118.700 -0.086 0.000 2.751 605 N HA 0.446 5.187 4.740 0.003 0.000 0.234 605 N C -0.748 174.707 175.510 -0.091 0.000 1.403 605 N CA 0.592 53.586 53.050 -0.093 0.000 0.747 605 N CB 1.180 39.599 38.487 -0.113 0.000 1.326 605 N HN 1.077 nan 8.380 nan 0.000 0.532 606 T N -1.127 113.382 114.554 -0.076 0.000 2.864 606 T HA 0.364 4.716 4.350 0.003 0.000 0.289 606 T C 1.066 175.683 174.700 -0.139 0.000 1.082 606 T CA -0.681 61.363 62.100 -0.094 0.000 1.009 606 T CB 0.883 69.715 68.868 -0.060 0.000 1.234 606 T HN 0.160 nan 8.240 nan 0.000 0.526 607 N N -0.071 118.515 118.700 -0.191 0.000 2.571 607 N HA -0.054 4.687 4.740 0.003 0.000 0.189 607 N C 1.092 176.415 175.510 -0.312 0.000 1.154 607 N CA 0.624 53.469 53.050 -0.340 0.000 0.907 607 N CB -0.367 37.950 38.487 -0.282 0.000 0.977 607 N HN 0.755 nan 8.380 nan 0.000 0.449 608 Q N -0.931 118.822 119.800 -0.079 0.000 2.353 608 Q HA 0.308 4.650 4.340 0.003 0.000 0.240 608 Q C -0.530 175.601 176.000 0.217 0.000 0.868 608 Q CA -0.044 55.804 55.803 0.076 0.000 0.944 608 Q CB 1.020 29.792 28.738 0.056 0.000 1.104 608 Q HN 0.280 nan 8.270 nan 0.000 0.531 609 L N 0.550 121.859 121.223 0.144 0.000 2.565 609 L HA 0.326 4.668 4.340 0.003 0.000 0.261 609 L C -2.136 174.740 176.870 0.009 0.000 0.932 609 L CA -0.142 54.719 54.840 0.035 0.000 0.878 609 L CB 2.222 44.236 42.059 -0.075 0.000 1.333 609 L HN -0.137 nan 8.230 nan 0.000 0.409 610 Q N 3.834 123.640 119.800 0.009 0.000 2.292 610 Q HA 0.908 5.250 4.340 0.003 0.000 0.270 610 Q C -1.302 174.703 176.000 0.007 0.000 1.024 610 Q CA -0.648 55.186 55.803 0.052 0.000 0.768 610 Q CB 2.395 31.282 28.738 0.250 0.000 1.250 610 Q HN 0.879 nan 8.270 nan 0.000 0.447 611 A N 1.839 124.530 122.820 -0.216 0.000 2.572 611 A HA 0.857 5.178 4.320 0.003 0.000 0.295 611 A C -1.416 175.901 177.584 -0.446 0.000 1.072 611 A CA -0.514 51.353 52.037 -0.284 0.000 0.691 611 A CB 1.779 20.666 19.000 -0.187 0.000 1.291 611 A HN 0.399 nan 8.150 nan 0.000 0.404 612 V N 1.314 120.996 119.914 -0.386 0.000 2.789 612 V HA 0.502 4.624 4.120 0.003 0.000 0.311 612 V C -1.539 174.608 176.094 0.089 0.000 1.073 612 V CA -0.528 61.636 62.300 -0.228 0.000 0.921 612 V CB 1.926 33.559 31.823 -0.317 0.000 1.009 612 V HN 0.889 nan 8.190 nan 0.000 0.426 613 Y N 3.902 124.148 120.300 -0.089 0.000 2.334 613 Y HA 0.522 5.071 4.550 -0.002 0.000 0.336 613 Y C -0.379 175.442 175.900 -0.131 0.000 0.960 613 Y CA -1.148 56.923 58.100 -0.049 0.000 1.164 613 Y CB 0.904 39.329 38.460 -0.059 0.000 1.155 613 Y HN 0.758 nan 8.280 nan 0.000 0.478 614 H N 7.328 126.171 119.070 -0.378 0.000 2.685 614 H HA 0.150 4.709 4.556 0.005 0.000 0.286 614 H C 0.944 175.827 175.328 -0.740 0.000 1.102 614 H CA 0.167 55.818 56.048 -0.661 0.000 1.254 614 H CB 1.148 30.436 29.762 -0.791 0.000 1.397 614 H HN 0.884 nan 8.280 nan 0.000 0.473 615 Q N 3.327 122.600 119.800 -0.879 0.000 2.061 615 Q HA -0.159 4.183 4.340 0.003 0.000 0.204 615 Q C 1.250 177.128 176.000 -0.203 0.000 0.984 615 Q CA 1.482 56.869 55.803 -0.692 0.000 0.846 615 Q CB 0.398 28.808 28.738 -0.547 0.000 0.902 615 Q HN 0.696 nan 8.270 nan 0.000 0.421 616 Q N 0.112 119.879 119.800 -0.055 0.000 2.050 616 Q HA -0.077 4.265 4.340 0.003 0.000 0.202 616 Q C 2.284 178.317 176.000 0.056 0.000 0.980 616 Q CA 1.096 56.929 55.803 0.051 0.000 0.840 616 Q CB -0.305 28.503 28.738 0.118 0.000 0.898 616 Q HN 0.414 nan 8.270 nan 0.000 0.424 617 L N 0.396 121.645 121.223 0.044 0.000 2.492 617 L HA -0.049 4.293 4.340 0.003 0.000 0.223 617 L C 0.198 177.070 176.870 0.004 0.000 1.132 617 L CA 0.197 54.977 54.840 -0.100 0.000 0.850 617 L CB -0.123 41.703 42.059 -0.387 0.000 0.966 617 L HN 0.240 nan 8.230 nan 0.000 0.454 618 D N 0.546 120.977 120.400 0.051 0.000 2.699 618 D HA -0.251 4.390 4.640 0.003 0.000 0.239 618 D C -0.088 176.323 176.300 0.185 0.000 1.136 618 D CA 0.759 54.856 54.000 0.162 0.000 0.668 618 D CB -0.511 40.394 40.800 0.174 0.000 1.060 618 D HN 0.237 nan 8.370 nan 0.000 0.429 619 M N 0.114 119.817 119.600 0.170 0.000 2.530 619 M HA 0.597 5.079 4.480 0.003 0.000 0.307 619 M C -1.409 175.086 176.300 0.325 0.000 1.161 619 M CA -0.862 54.538 55.300 0.166 0.000 0.903 619 M CB 2.100 34.724 32.600 0.040 0.000 1.711 619 M HN -0.141 nan 8.290 nan 0.000 0.451 620 V N 3.704 123.777 119.914 0.266 0.000 2.588 620 V HA 0.479 4.601 4.120 0.003 0.000 0.304 620 V C -1.026 175.216 176.094 0.247 0.000 1.042 620 V CA -0.545 61.921 62.300 0.276 0.000 0.877 620 V CB 2.148 34.077 31.823 0.176 0.000 0.996 620 V HN 0.876 nan 8.190 nan 0.000 0.425 621 Q N 2.519 122.493 119.800 0.290 0.000 2.337 621 Q HA 0.834 5.175 4.340 0.003 0.000 0.270 621 Q C -0.817 175.383 176.000 0.333 0.000 1.043 621 Q CA -0.525 55.466 55.803 0.313 0.000 0.794 621 Q CB 2.620 31.600 28.738 0.404 0.000 1.281 621 Q HN 0.924 nan 8.270 nan 0.000 0.446 622 A N 2.967 125.949 122.820 0.271 0.000 2.486 622 A HA 0.696 5.018 4.320 0.003 0.000 0.300 622 A C -1.346 176.285 177.584 0.078 0.000 1.048 622 A CA -0.571 51.539 52.037 0.121 0.000 0.696 622 A CB 1.257 20.192 19.000 -0.108 0.000 1.278 622 A HN 0.593 nan 8.150 nan 0.000 0.405 623 I N 2.302 122.839 120.570 -0.055 0.000 2.390 623 I HA 0.310 4.482 4.170 0.003 0.000 0.283 623 I C -1.321 174.611 176.117 -0.307 0.000 1.016 623 I CA -0.318 60.909 61.300 -0.122 0.000 1.151 623 I CB 0.347 38.218 38.000 -0.215 0.000 1.293 623 I HN 0.507 nan 8.210 nan 0.000 0.458 624 F N 5.776 125.705 119.950 -0.035 0.000 2.350 624 F HA 0.293 4.822 4.527 0.003 0.000 0.365 624 F C 0.949 176.737 175.800 -0.020 0.000 1.122 624 F CA -0.362 57.645 58.000 0.010 0.000 1.139 624 F CB 0.559 39.610 39.000 0.084 0.000 1.220 624 F HN 0.350 nan 8.300 nan 0.000 0.499 625 Y N 0.481 120.831 120.300 0.084 0.000 2.457 625 Y HA -0.019 4.532 4.550 0.002 0.000 0.292 625 Y C 1.437 177.392 175.900 0.093 0.000 1.125 625 Y CA 0.567 58.591 58.100 -0.126 0.000 1.254 625 Y CB 0.015 38.255 38.460 -0.367 0.000 1.012 625 Y HN 0.468 nan 8.280 nan 0.000 0.555 626 T N -2.948 111.776 114.554 0.282 0.000 2.864 626 T HA 0.768 5.120 4.350 0.003 0.000 0.299 626 T C -0.334 174.498 174.700 0.221 0.000 1.166 626 T CA -0.889 61.339 62.100 0.214 0.000 1.007 626 T CB 1.514 70.473 68.868 0.152 0.000 1.219 626 T HN 0.114 nan 8.240 nan 0.000 0.506 627 A N 0.233 123.136 122.820 0.140 0.000 2.555 627 A HA 0.662 4.984 4.320 0.003 0.000 0.233 627 A C 0.934 178.588 177.584 0.118 0.000 1.060 627 A CA 0.556 52.639 52.037 0.078 0.000 0.759 627 A CB -0.784 18.241 19.000 0.040 0.000 0.995 627 A HN 1.940 nan 8.150 nan 0.000 0.506 628 G N 0.592 109.440 108.800 0.079 0.000 2.342 628 G HA2 0.544 4.505 3.960 0.003 0.000 0.297 628 G HA3 0.544 4.505 3.960 0.003 0.000 0.297 628 G C -1.137 173.862 174.900 0.165 0.000 1.313 628 G CA -0.241 44.963 45.100 0.174 0.000 0.830 628 G HN 1.165 nan 8.290 nan 0.000 0.506 629 K N -1.549 118.990 120.400 0.232 0.000 2.400 629 K HA 0.896 5.218 4.320 0.003 0.000 0.246 629 K C -1.746 175.013 176.600 0.264 0.000 0.995 629 K CA -1.035 55.380 56.287 0.214 0.000 0.840 629 K CB 2.799 35.357 32.500 0.096 0.000 1.293 629 K HN 0.896 nan 8.250 nan 0.000 0.445 630 L N 0.270 121.625 121.223 0.220 0.000 2.493 630 L HA 0.446 4.787 4.340 0.003 0.000 0.265 630 L C -1.647 175.262 176.870 0.065 0.000 0.954 630 L CA -0.059 54.862 54.840 0.135 0.000 0.844 630 L CB 2.552 44.710 42.059 0.164 0.000 1.302 630 L HN 0.800 nan 8.230 nan 0.000 0.405 631 S N 3.191 118.901 115.700 0.017 0.000 2.475 631 S HA 0.925 5.396 4.470 0.003 0.000 0.298 631 S C -1.070 173.493 174.600 -0.061 0.000 1.119 631 S CA -0.482 57.708 58.200 -0.016 0.000 1.085 631 S CB 1.687 64.879 63.200 -0.013 0.000 1.028 631 S HN 0.794 nan 8.310 nan 0.000 0.489 632 V N 1.901 121.751 119.914 -0.105 0.000 3.036 632 V HA 0.600 4.722 4.120 0.003 0.000 0.288 632 V C -0.270 175.672 176.094 -0.253 0.000 1.407 632 V CA -0.024 62.145 62.300 -0.218 0.000 0.983 632 V CB 1.205 32.832 31.823 -0.327 0.000 1.128 632 V HN 1.632 nan 8.190 nan 0.000 0.439 633 A N 3.977 126.622 122.820 -0.292 0.000 2.665 633 A HA 0.137 4.458 4.320 0.003 0.000 0.301 633 A C 2.153 179.679 177.584 -0.096 0.000 1.509 633 A CA 2.292 54.213 52.037 -0.194 0.000 0.789 633 A CB -1.815 17.018 19.000 -0.279 0.000 1.024 633 A HN 3.113 nan 8.150 nan 0.000 0.460 634 G N -2.386 106.372 108.800 -0.071 0.000 2.179 634 G HA2 -0.169 3.793 3.960 0.003 0.000 0.260 634 G HA3 -0.169 3.793 3.960 0.003 0.000 0.260 634 G C 0.336 175.214 174.900 -0.037 0.000 0.977 634 G CA 0.751 45.827 45.100 -0.041 0.000 0.641 634 G HN 2.456 nan 8.290 nan 0.000 0.533 635 I N -3.280 117.260 120.570 -0.051 0.000 3.002 635 I HA 0.915 5.087 4.170 0.003 0.000 0.310 635 I C -0.646 175.454 176.117 -0.028 0.000 1.087 635 I CA -1.458 59.822 61.300 -0.034 0.000 1.017 635 I CB 2.350 40.331 38.000 -0.031 0.000 1.226 635 I HN 0.022 nan 8.210 nan 0.000 0.443 636 E N 3.564 123.758 120.200 -0.010 0.000 2.216 636 E HA 0.525 4.877 4.350 0.003 0.000 0.260 636 E C -1.560 175.052 176.600 0.019 0.000 0.880 636 E CA -0.705 55.699 56.400 0.007 0.000 0.765 636 E CB 1.839 31.543 29.700 0.008 0.000 1.174 636 E HN 0.627 nan 8.360 nan 0.000 0.417 637 I N 3.673 124.273 120.570 0.050 0.000 2.342 637 I HA 0.305 4.477 4.170 0.003 0.000 0.291 637 I C 0.143 176.292 176.117 0.053 0.000 1.010 637 I CA -0.244 61.094 61.300 0.062 0.000 1.308 637 I CB 1.340 39.419 38.000 0.131 0.000 1.400 637 I HN 0.522 nan 8.210 nan 0.000 0.488 638 E N 4.110 124.288 120.200 -0.037 0.000 2.317 638 E HA 0.526 4.878 4.350 0.003 0.000 0.270 638 E C -1.412 175.058 176.600 -0.217 0.000 0.885 638 E CA -0.571 55.766 56.400 -0.106 0.000 0.760 638 E CB 2.405 32.075 29.700 -0.050 0.000 1.227 638 E HN 0.533 nan 8.360 nan 0.000 0.434 639 T N 1.334 115.681 114.554 -0.345 0.000 2.893 639 T HA 0.184 4.535 4.350 0.003 0.000 0.293 639 T C -0.288 174.303 174.700 -0.182 0.000 1.027 639 T CA -0.591 61.320 62.100 -0.315 0.000 0.988 639 T CB 1.077 69.624 68.868 -0.534 0.000 1.043 639 T HN 0.583 nan 8.240 nan 0.000 0.461 640 D N 2.642 122.988 120.400 -0.091 0.000 2.339 640 D HA 0.173 4.815 4.640 0.003 0.000 0.217 640 D C 0.113 176.416 176.300 0.004 0.000 1.050 640 D CA 0.052 54.031 54.000 -0.034 0.000 0.856 640 D CB 0.347 41.137 40.800 -0.017 0.000 0.922 640 D HN 0.220 nan 8.370 nan 0.000 0.518 641 K N 0.428 120.834 120.400 0.010 0.000 2.508 641 K HA 0.446 4.767 4.320 0.003 0.000 0.260 641 K C -2.978 173.675 176.600 0.088 0.000 0.949 641 K CA -2.027 54.301 56.287 0.068 0.000 0.834 641 K CB 1.950 34.526 32.500 0.127 0.000 1.365 641 K HN -0.167 nan 8.250 nan 0.000 0.437 642 P HA 0.143 nan 4.420 nan 0.000 0.269 642 P C -0.445 176.969 177.300 0.190 0.000 1.209 642 P CA -0.232 63.006 63.100 0.230 0.000 0.776 642 P CB 0.428 32.309 31.700 0.301 0.000 0.876 643 C N -0.324 119.146 119.300 0.284 0.000 3.167 643 C HA 0.842 5.303 4.460 0.003 0.000 0.348 643 C C -1.490 173.694 174.990 0.322 0.000 1.394 643 C CA -1.062 58.096 59.018 0.234 0.000 1.204 643 C CB 0.802 28.718 27.740 0.293 0.000 1.467 643 C HN 0.634 nan 8.230 nan 0.000 0.446 644 A N 0.660 123.632 122.820 0.254 0.000 2.319 644 A HA 0.894 5.216 4.320 0.003 0.000 0.310 644 A C -0.400 177.337 177.584 0.255 0.000 1.152 644 A CA 0.089 52.268 52.037 0.236 0.000 0.783 644 A CB 0.966 20.055 19.000 0.149 0.000 1.184 644 A HN 2.508 nan 8.150 nan 0.000 0.474 645 V N 0.855 120.941 119.914 0.287 0.000 2.914 645 V HA 0.913 5.035 4.120 0.003 0.000 0.314 645 V C -1.112 175.122 176.094 0.233 0.000 1.084 645 V CA -0.942 61.519 62.300 0.269 0.000 0.963 645 V CB 1.612 33.616 31.823 0.300 0.000 1.025 645 V HN 1.259 nan 8.190 nan 0.000 0.432 646 L N 4.667 126.030 121.223 0.234 0.000 2.406 646 L HA 0.774 5.116 4.340 0.003 0.000 0.272 646 L C -1.088 175.946 176.870 0.273 0.000 0.980 646 L CA -0.244 54.712 54.840 0.193 0.000 0.831 646 L CB 1.405 43.510 42.059 0.076 0.000 1.253 646 L HN 0.758 nan 8.230 nan 0.000 0.406 647 I N 4.882 125.573 120.570 0.202 0.000 2.418 647 I HA 0.441 4.612 4.170 0.003 0.000 0.287 647 I C -0.323 175.858 176.117 0.107 0.000 1.008 647 I CA -0.708 60.702 61.300 0.183 0.000 1.104 647 I CB 1.722 39.803 38.000 0.135 0.000 1.264 647 I HN 0.574 nan 8.210 nan 0.000 0.438 648 K N 4.318 124.758 120.400 0.065 0.000 2.123 648 K HA 0.450 4.771 4.320 0.003 0.000 0.248 648 K C -0.344 176.119 176.600 -0.228 0.000 0.969 648 K CA -0.835 55.323 56.287 -0.215 0.000 0.882 648 K CB 0.733 32.953 32.500 -0.467 0.000 1.080 648 K HN 0.566 nan 8.250 nan 0.000 0.441 649 H N 1.016 120.147 119.070 0.103 0.000 2.527 649 H HA -0.155 4.402 4.556 0.002 0.000 0.321 649 H C 0.971 176.348 175.328 0.080 0.000 1.092 649 H CA 0.906 57.005 56.048 0.084 0.000 1.118 649 H CB -2.061 27.743 29.762 0.071 0.000 1.536 649 H HN 0.722 nan 8.280 nan 0.000 0.407 650 I N -2.998 117.665 120.570 0.155 0.000 2.567 650 I HA -0.162 4.010 4.170 0.003 0.000 0.257 650 I C 1.401 177.569 176.117 0.084 0.000 1.184 650 I CA 1.524 62.883 61.300 0.099 0.000 1.451 650 I CB -0.090 37.944 38.000 0.058 0.000 1.089 650 I HN 0.044 nan 8.210 nan 0.000 0.441 651 N N 1.267 120.036 118.700 0.115 0.000 2.235 651 N HA 0.256 4.998 4.740 0.003 0.000 0.209 651 N C 0.503 176.059 175.510 0.075 0.000 1.122 651 N CA 0.652 53.752 53.050 0.083 0.000 0.845 651 N CB 1.270 39.813 38.487 0.094 0.000 1.004 651 N HN 0.652 nan 8.380 nan 0.000 0.499 652 G N -0.400 108.459 108.800 0.098 0.000 3.100 652 G HA2 0.383 4.345 3.960 0.003 0.000 0.174 652 G HA3 0.383 4.345 3.960 0.003 0.000 0.174 652 G C -0.813 174.134 174.900 0.079 0.000 1.136 652 G CA -0.274 44.868 45.100 0.070 0.000 0.881 652 G HN 0.098 nan 8.290 nan 0.000 0.616 653 K N 1.199 121.639 120.400 0.066 0.000 2.167 653 K HA 0.470 4.792 4.320 0.003 0.000 0.275 653 K C 0.477 177.182 176.600 0.176 0.000 1.103 653 K CA -0.068 56.264 56.287 0.075 0.000 0.963 653 K CB -0.968 31.550 32.500 0.031 0.000 1.243 653 K HN 0.541 nan 8.250 nan 0.000 0.407 654 Q N 0.272 120.146 119.800 0.124 0.000 2.364 654 Q HA 0.409 4.750 4.340 0.003 0.000 0.267 654 Q C -0.391 175.641 176.000 0.054 0.000 0.999 654 Q CA -0.507 55.362 55.803 0.110 0.000 0.886 654 Q CB 1.213 29.985 28.738 0.057 0.000 1.243 654 Q HN 0.445 nan 8.270 nan 0.000 0.415 655 V N 3.751 123.680 119.914 0.026 0.000 2.638 655 V HA 0.498 4.620 4.120 0.003 0.000 0.306 655 V C -0.434 175.571 176.094 -0.150 0.000 1.052 655 V CA -0.642 61.572 62.300 -0.142 0.000 0.885 655 V CB 1.634 33.363 31.823 -0.155 0.000 0.999 655 V HN 0.622 nan 8.190 nan 0.000 0.424 656 I N 3.476 123.858 120.570 -0.313 0.000 2.530 656 I HA 0.530 4.701 4.170 0.003 0.000 0.297 656 I C -0.909 175.057 176.117 -0.251 0.000 1.011 656 I CA -0.409 60.825 61.300 -0.111 0.000 1.107 656 I CB 2.112 40.074 38.000 -0.064 0.000 1.285 656 I HN 0.457 nan 8.210 nan 0.000 0.436 657 W N 4.141 125.436 121.300 -0.008 0.000 2.819 657 W HA 0.765 5.426 4.660 0.002 0.000 0.337 657 W C -0.514 176.017 176.519 0.021 0.000 1.077 657 W CA -0.774 56.567 57.345 -0.005 0.000 1.226 657 W CB 2.320 31.780 29.460 -0.000 0.000 1.419 657 W HN 0.476 nan 8.180 nan 0.000 0.502 658 A N 1.457 124.411 122.820 0.223 0.000 2.556 658 A HA 0.990 5.312 4.320 0.003 0.000 0.294 658 A C -1.589 176.144 177.584 0.249 0.000 1.091 658 A CA -0.544 51.618 52.037 0.207 0.000 0.704 658 A CB 1.817 20.889 19.000 0.119 0.000 1.300 658 A HN 0.827 nan 8.150 nan 0.000 0.406 659 A N 0.246 123.254 122.820 0.313 0.000 2.606 659 A HA 0.689 5.010 4.320 0.003 0.000 0.293 659 A C -1.940 175.721 177.584 0.129 0.000 1.082 659 A CA -0.284 51.905 52.037 0.254 0.000 0.685 659 A CB 1.619 20.691 19.000 0.119 0.000 1.284 659 A HN 0.889 nan 8.150 nan 0.000 0.408 660 D N 1.609 121.899 120.400 -0.184 0.000 2.472 660 D HA 0.516 5.157 4.640 0.003 0.000 0.234 660 D C -1.992 174.097 176.300 -0.351 0.000 1.088 660 D CA -1.887 51.812 54.000 -0.501 0.000 0.882 660 D CB 1.423 41.540 40.800 -1.139 0.000 1.037 660 D HN 0.060 nan 8.370 nan 0.000 0.520 661 P HA -0.077 nan 4.420 nan 0.000 0.221 661 P C 1.295 178.319 177.300 -0.460 0.000 1.145 661 P CA 0.820 63.630 63.100 -0.484 0.000 0.795 661 P CB 0.269 31.386 31.700 -0.972 0.000 0.775 662 L N -1.674 119.273 121.223 -0.461 0.000 2.418 662 L HA 0.007 4.348 4.340 0.003 0.000 0.218 662 L C 0.633 177.415 176.870 -0.147 0.000 1.125 662 L CA 0.379 55.071 54.840 -0.247 0.000 0.835 662 L CB -0.812 41.153 42.059 -0.157 0.000 0.953 662 L HN -0.017 nan 8.230 nan 0.000 0.454 663 Q N 0.498 120.192 119.800 -0.178 0.000 2.439 663 Q HA -0.304 4.037 4.340 0.003 0.000 0.325 663 Q C 0.942 176.893 176.000 -0.083 0.000 1.372 663 Q CA 0.970 56.712 55.803 -0.101 0.000 0.909 663 Q CB -0.956 27.792 28.738 0.016 0.000 1.167 663 Q HN 0.531 nan 8.270 nan 0.000 0.418 664 K N -0.608 119.712 120.400 -0.133 0.000 2.585 664 K HA 0.085 4.407 4.320 0.003 0.000 0.198 664 K C -0.056 176.502 176.600 -0.070 0.000 1.403 664 K CA -0.224 56.016 56.287 -0.078 0.000 1.021 664 K CB 0.741 33.205 32.500 -0.059 0.000 1.558 664 K HN 0.065 nan 8.250 nan 0.000 0.524 665 E N 1.816 121.933 120.200 -0.138 0.000 2.373 665 E HA 0.047 4.398 4.350 0.003 0.000 0.263 665 E C 0.391 177.045 176.600 0.091 0.000 1.073 665 E CA 0.082 56.459 56.400 -0.038 0.000 0.894 665 E CB 1.325 30.997 29.700 -0.046 0.000 1.008 665 E HN 0.128 nan 8.360 nan 0.000 0.420 666 K N 0.327 120.823 120.400 0.160 0.000 2.168 666 K HA 0.063 4.385 4.320 0.003 0.000 0.201 666 K C 1.151 177.898 176.600 0.245 0.000 1.049 666 K CA 0.801 57.189 56.287 0.168 0.000 0.974 666 K CB 0.095 32.645 32.500 0.084 0.000 0.792 666 K HN 0.733 nan 8.250 nan 0.000 0.463 667 T N -2.457 112.244 114.554 0.245 0.000 2.754 667 T HA 0.795 5.147 4.350 0.003 0.000 0.296 667 T C -1.351 173.443 174.700 0.157 0.000 1.205 667 T CA -0.643 61.516 62.100 0.099 0.000 1.009 667 T CB 2.187 71.048 68.868 -0.011 0.000 1.368 667 T HN 0.136 nan 8.240 nan 0.000 0.509 668 A N -0.017 122.782 122.820 -0.035 0.000 2.586 668 A HA 0.719 5.041 4.320 0.003 0.000 0.291 668 A C -1.713 175.818 177.584 -0.088 0.000 1.062 668 A CA -0.749 51.297 52.037 0.015 0.000 0.666 668 A CB 1.400 20.493 19.000 0.156 0.000 1.281 668 A HN 1.224 nan 8.150 nan 0.000 0.421 669 V N 1.068 120.944 119.914 -0.063 0.000 2.487 669 V HA 0.558 4.679 4.120 0.003 0.000 0.298 669 V C -0.989 175.050 176.094 -0.092 0.000 1.028 669 V CA -0.412 61.839 62.300 -0.082 0.000 0.860 669 V CB 1.341 33.128 31.823 -0.059 0.000 0.991 669 V HN 0.775 nan 8.190 nan 0.000 0.427 670 L N 4.631 125.793 121.223 -0.101 0.000 2.296 670 L HA 0.665 5.007 4.340 0.003 0.000 0.286 670 L C 0.144 176.968 176.870 -0.076 0.000 1.023 670 L CA 0.666 55.445 54.840 -0.101 0.000 0.812 670 L CB 1.853 43.856 42.059 -0.093 0.000 1.223 670 L HN 0.694 nan 8.230 nan 0.000 0.421 671 S N 5.523 121.182 115.700 -0.068 0.000 2.482 671 S HA 0.681 5.153 4.470 0.003 0.000 0.303 671 S C -0.716 173.864 174.600 -0.032 0.000 1.091 671 S CA -0.515 57.657 58.200 -0.047 0.000 1.057 671 S CB 1.521 64.696 63.200 -0.042 0.000 1.031 671 S HN 0.337 nan 8.310 nan 0.000 0.485 672 I N 3.124 123.679 120.570 -0.025 0.000 2.420 672 I HA 0.376 4.548 4.170 0.003 0.000 0.282 672 I C 0.154 176.263 176.117 -0.014 0.000 1.019 672 I CA -0.345 60.947 61.300 -0.014 0.000 1.130 672 I CB 1.121 39.113 38.000 -0.012 0.000 1.262 672 I HN 0.565 nan 8.210 nan 0.000 0.454 673 R N 4.810 125.304 120.500 -0.011 0.000 2.294 673 R HA 0.252 4.593 4.340 0.003 0.000 0.319 673 R C -0.434 175.860 176.300 -0.010 0.000 0.984 673 R CA -0.518 55.576 56.100 -0.010 0.000 0.861 673 R CB 1.314 31.609 30.300 -0.008 0.000 1.104 673 R HN 0.554 nan 8.270 nan 0.000 0.451 674 D N 5.022 125.416 120.400 -0.010 0.000 2.317 674 D HA 0.009 4.651 4.640 0.003 0.000 0.252 674 D C 1.077 177.371 176.300 -0.010 0.000 1.174 674 D CA -0.307 53.687 54.000 -0.011 0.000 0.866 674 D CB 1.203 41.998 40.800 -0.009 0.000 1.127 674 D HN 0.466 nan 8.370 nan 0.000 0.467 675 L N 4.716 125.932 121.223 -0.011 0.000 2.127 675 L HA -0.160 4.181 4.340 0.003 0.000 0.211 675 L C 2.418 179.283 176.870 -0.008 0.000 1.089 675 L CA 1.339 56.173 54.840 -0.010 0.000 0.757 675 L CB -0.628 41.424 42.059 -0.012 0.000 0.899 675 L HN 0.439 nan 8.230 nan 0.000 0.434 676 K N -0.575 119.821 120.400 -0.008 0.000 2.021 676 K HA -0.055 4.266 4.320 0.003 0.000 0.205 676 K C 2.120 178.717 176.600 -0.005 0.000 1.047 676 K CA 1.833 58.117 56.287 -0.006 0.000 0.943 676 K CB -0.186 32.311 32.500 -0.005 0.000 0.725 676 K HN 0.476 nan 8.250 nan 0.000 0.439 677 T N -3.199 111.351 114.554 -0.006 0.000 3.054 677 T HA 0.112 4.464 4.350 0.003 0.000 0.259 677 T C 1.434 176.130 174.700 -0.006 0.000 1.092 677 T CA 1.217 63.313 62.100 -0.006 0.000 1.121 677 T CB 0.062 68.927 68.868 -0.006 0.000 0.912 677 T HN 0.381 nan 8.240 nan 0.000 0.489 678 G N 1.497 110.293 108.800 -0.007 0.000 2.179 678 G HA2 -0.240 3.722 3.960 0.003 0.000 0.260 678 G HA3 -0.240 3.722 3.960 0.003 0.000 0.260 678 G C 0.117 175.012 174.900 -0.008 0.000 0.977 678 G CA 0.114 45.210 45.100 -0.007 0.000 0.641 678 G HN 0.604 nan 8.290 nan 0.000 0.533 679 K N 1.471 121.866 120.400 -0.009 0.000 2.401 679 K HA 0.450 4.772 4.320 0.003 0.000 0.278 679 K C 0.088 176.681 176.600 -0.012 0.000 1.018 679 K CA 0.519 56.800 56.287 -0.010 0.000 0.981 679 K CB 0.831 33.326 32.500 -0.010 0.000 0.933 679 K HN 0.238 nan 8.250 nan 0.000 0.477 680 T N 3.320 117.866 114.554 -0.014 0.000 2.848 680 T HA 0.329 4.680 4.350 0.003 0.000 0.285 680 T C -0.276 174.412 174.700 -0.020 0.000 0.995 680 T CA -0.932 61.158 62.100 -0.016 0.000 0.970 680 T CB 1.066 69.924 68.868 -0.017 0.000 0.976 680 T HN 0.310 nan 8.240 nan 0.000 0.441 681 N N 2.608 121.294 118.700 -0.022 0.000 2.405 681 N HA 0.490 5.232 4.740 0.003 0.000 0.299 681 N C -0.421 175.068 175.510 -0.034 0.000 1.075 681 N CA -0.660 52.373 53.050 -0.028 0.000 0.884 681 N CB 1.934 40.405 38.487 -0.027 0.000 1.194 681 N HN 0.438 nan 8.380 nan 0.000 0.491 682 R N 0.540 121.016 120.500 -0.040 0.000 2.599 682 R HA 0.635 4.977 4.340 0.003 0.000 0.295 682 R C -1.001 175.263 176.300 -0.060 0.000 0.963 682 R CA -0.880 55.191 56.100 -0.049 0.000 0.883 682 R CB 1.971 32.244 30.300 -0.045 0.000 1.171 682 R HN 0.204 nan 8.270 nan 0.000 0.450 683 V N 2.652 122.522 119.914 -0.073 0.000 2.531 683 V HA 0.274 4.396 4.120 0.003 0.000 0.301 683 V C -0.348 175.679 176.094 -0.111 0.000 1.034 683 V CA -0.991 61.254 62.300 -0.092 0.000 0.865 683 V CB 1.831 33.595 31.823 -0.098 0.000 0.995 683 V HN 0.559 nan 8.190 nan 0.000 0.424 684 K N 4.472 124.800 120.400 -0.119 0.000 2.249 684 K HA 0.538 4.860 4.320 0.003 0.000 0.280 684 K C -0.898 175.581 176.600 -0.201 0.000 1.033 684 K CA 0.069 56.271 56.287 -0.140 0.000 0.946 684 K CB 0.630 33.059 32.500 -0.117 0.000 1.005 684 K HN 0.626 nan 8.250 nan 0.000 0.469 685 I N 4.201 124.605 120.570 -0.276 0.000 2.354 685 I HA 0.199 4.370 4.170 0.003 0.000 0.286 685 I C -0.660 175.138 176.117 -0.531 0.000 1.007 685 I CA -0.618 60.407 61.300 -0.459 0.000 1.167 685 I CB 1.552 39.151 38.000 -0.667 0.000 1.320 685 I HN 0.506 nan 8.210 nan 0.000 0.458 686 D N 7.716 127.876 120.400 -0.401 0.000 2.443 686 D HA 0.268 4.909 4.640 0.003 0.000 0.221 686 D C -0.354 175.794 176.300 -0.253 0.000 1.097 686 D CA -0.180 53.661 54.000 -0.265 0.000 0.865 686 D CB 0.971 41.677 40.800 -0.156 0.000 1.034 686 D HN 0.178 nan 8.370 nan 0.000 0.511 687 F N 2.368 122.283 119.950 -0.059 0.000 2.484 687 F HA 0.177 4.705 4.527 0.002 0.000 0.360 687 F C -1.518 174.233 175.800 -0.081 0.000 1.101 687 F CA -1.683 56.276 58.000 -0.068 0.000 1.251 687 F CB 0.281 39.249 39.000 -0.054 0.000 1.132 687 F HN 0.059 nan 8.300 nan 0.000 0.570 688 P HA 0.021 nan 4.420 nan 0.000 0.268 688 P C -0.818 176.498 177.300 0.027 0.000 1.205 688 P CA -0.043 63.049 63.100 -0.014 0.000 0.771 688 P CB 0.566 32.201 31.700 -0.108 0.000 0.858 689 Q N 1.968 121.788 119.800 0.033 0.000 2.333 689 Q HA 0.326 4.668 4.340 0.003 0.000 0.266 689 Q C 0.466 176.492 176.000 0.042 0.000 1.053 689 Q CA -0.638 55.191 55.803 0.043 0.000 0.890 689 Q CB 1.087 29.848 28.738 0.038 0.000 1.337 689 Q HN 0.344 nan 8.270 nan 0.000 0.474 690 Q N 0.130 119.946 119.800 0.027 0.000 1.675 690 Q HA -0.313 4.028 4.340 0.003 0.000 0.365 690 Q C 1.157 177.007 176.000 -0.250 0.000 0.856 690 Q CA 2.325 58.110 55.803 -0.030 0.000 0.832 690 Q CB -1.347 27.354 28.738 -0.063 0.000 3.604 690 Q HN 0.740 nan 8.270 nan 0.000 0.678 691 E N -0.259 119.521 120.200 -0.700 0.000 2.209 691 E HA -0.097 4.255 4.350 0.003 0.000 0.196 691 E C 1.371 177.542 176.600 -0.715 0.000 0.993 691 E CA 1.702 57.311 56.400 -1.319 0.000 0.819 691 E CB -0.242 28.292 29.700 -1.943 0.000 0.745 691 E HN 0.435 nan 8.360 nan 0.000 0.477 692 F N 0.313 120.103 119.950 -0.265 0.000 2.693 692 F HA 0.347 4.875 4.527 0.003 0.000 0.303 692 F C 0.783 176.285 175.800 -0.495 0.000 1.097 692 F CA -0.394 57.406 58.000 -0.334 0.000 1.330 692 F CB -0.036 38.762 39.000 -0.337 0.000 1.067 692 F HN -0.144 nan 8.300 nan 0.000 0.565 693 A N 0.567 123.336 122.820 -0.084 0.000 2.545 693 A HA 0.412 4.734 4.320 0.003 0.000 0.253 693 A C 1.477 178.989 177.584 -0.120 0.000 1.074 693 A CA 0.937 52.946 52.037 -0.048 0.000 0.760 693 A CB -0.730 18.323 19.000 0.089 0.000 1.005 693 A HN 0.892 nan 8.150 nan 0.000 0.506 694 G N 1.043 109.730 108.800 -0.189 0.000 2.238 694 G HA2 0.173 4.134 3.960 0.003 0.000 0.217 694 G HA3 0.173 4.134 3.960 0.003 0.000 0.217 694 G C 0.656 175.398 174.900 -0.263 0.000 0.996 694 G CA 0.310 45.341 45.100 -0.115 0.000 0.632 694 G HN 2.125 nan 8.290 nan 0.000 0.503 695 A N 0.352 122.699 122.820 -0.788 0.000 2.366 695 A HA 0.664 4.986 4.320 0.003 0.000 0.249 695 A C 0.737 178.165 177.584 -0.260 0.000 1.084 695 A CA 1.265 52.786 52.037 -0.859 0.000 0.794 695 A CB 0.255 18.442 19.000 -1.355 0.000 1.034 695 A HN 0.754 nan 8.150 nan 0.000 0.491 696 T N 0.471 114.962 114.554 -0.104 0.000 2.889 696 T HA 0.443 4.795 4.350 0.003 0.000 0.291 696 T C -0.329 174.400 174.700 0.049 0.000 0.995 696 T CA -0.156 61.973 62.100 0.048 0.000 1.092 696 T CB 1.154 70.099 68.868 0.127 0.000 0.954 696 T HN 0.891 nan 8.240 nan 0.000 0.506 697 V N 2.976 122.933 119.914 0.072 0.000 2.540 697 V HA 0.470 4.592 4.120 0.003 0.000 0.302 697 V C -0.334 175.746 176.094 -0.023 0.000 1.035 697 V CA -0.917 61.381 62.300 -0.004 0.000 0.873 697 V CB 1.645 33.417 31.823 -0.085 0.000 0.992 697 V HN 0.959 nan 8.190 nan 0.000 0.428 698 E N 6.275 126.408 120.200 -0.113 0.000 2.229 698 E HA 0.421 4.773 4.350 0.003 0.000 0.283 698 E C -0.634 175.733 176.600 -0.389 0.000 1.030 698 E CA -0.517 55.596 56.400 -0.477 0.000 0.836 698 E CB 0.981 30.367 29.700 -0.523 0.000 1.068 698 E HN 0.745 nan 8.360 nan 0.000 0.401 699 L N 0.000 120.969 121.223 -0.424 0.000 2.949 699 L HA 0.000 4.342 4.340 0.003 0.000 0.249 699 L CA 0.000 54.663 54.840 -0.294 0.000 0.813 699 L CB 0.000 41.915 42.059 -0.240 0.000 0.961 699 L HN 0.000 nan 8.230 nan 0.000 0.502