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 2p88_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKITAIHLYA IRLPLRNPFV ISYGSYSDMP SIIVKMETDE GIIGYGEGVA DATA SEQUENCE DDHVTGESWE STFHTLKHTL TPALIGQNPM NIEKIHDMMD NTIYGVPTAK DATA SEQUENCE AAIDIACFDI MGKKLNQPVY QLIGGRYHEE FPVTHVLSIA DPENMAEEAA DATA SEQUENCE SMIQKGYQSF KMKVGTNVKE DVKRIEAVRE RVGNDIAIRV DVNQGWKNSA DATA SEQUENCE NTLTALRSLG HLNIDWIEQP VIADDIDAMA HIRSKTDLPL MIDEGLKSSR DATA SEQUENCE EMRQIIKLEA ADKVNIKLMK CGGIYPAVKL AHQAEMAGIE CQVGSMVESS DATA SEQUENCE VASSAGFHVA FSKKIITSVE LTGPLKFTKD IGNLHYDVPF IRLNEKPGLG DATA SEQUENCE IEINEDTLQE LTVFQDIVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.047 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 K N 3.358 123.731 120.400 -0.047 0.000 2.464 2 K HA 0.618 4.938 4.320 -0.000 0.000 0.253 2 K C -1.369 175.198 176.600 -0.054 0.000 0.933 2 K CA -0.723 55.534 56.287 -0.050 0.000 0.801 2 K CB 2.648 35.123 32.500 -0.043 0.000 1.271 2 K HN 0.596 nan 8.250 nan 0.000 0.430 3 I N 2.586 123.118 120.570 -0.063 0.000 2.471 3 I HA -0.027 4.143 4.170 -0.000 0.000 0.286 3 I C 1.499 177.577 176.117 -0.066 0.000 1.079 3 I CA 0.235 61.494 61.300 -0.069 0.000 1.398 3 I CB 1.056 39.008 38.000 -0.080 0.000 1.403 3 I HN 0.860 nan 8.210 nan 0.000 0.530 4 T N 2.136 116.652 114.554 -0.063 0.000 3.034 4 T HA 0.466 4.816 4.350 -0.000 0.000 0.248 4 T C 0.469 175.117 174.700 -0.086 0.000 1.040 4 T CA 0.155 62.218 62.100 -0.063 0.000 1.107 4 T CB 0.504 69.344 68.868 -0.046 0.000 0.932 4 T HN 0.653 nan 8.240 nan 0.000 0.474 5 A N 0.294 123.052 122.820 -0.103 0.000 2.612 5 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 5 A C -1.877 175.595 177.584 -0.186 0.000 1.075 5 A CA -0.995 50.940 52.037 -0.171 0.000 0.680 5 A CB 1.035 19.908 19.000 -0.213 0.000 1.279 5 A HN 0.384 nan 8.150 nan 0.000 0.411 6 I N 2.387 122.797 120.570 -0.266 0.000 2.512 6 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 6 I C -0.851 175.078 176.117 -0.314 0.000 1.069 6 I CA -0.449 60.722 61.300 -0.215 0.000 1.056 6 I CB 1.894 39.792 38.000 -0.171 0.000 1.229 6 I HN 0.659 nan 8.210 nan 0.000 0.429 7 H N 6.320 125.286 119.070 -0.173 0.000 2.473 7 H HA 0.468 5.023 4.556 -0.000 0.000 0.327 7 H C -0.879 174.223 175.328 -0.377 0.000 1.105 7 H CA -0.680 55.188 56.048 -0.299 0.000 1.280 7 H CB 2.318 31.914 29.762 -0.276 0.000 1.450 7 H HN 0.173 nan 8.280 nan 0.000 0.492 8 L N 4.308 125.310 121.223 -0.369 0.000 2.333 8 L HA 0.275 4.615 4.340 -0.000 0.000 0.280 8 L C -0.774 175.955 176.870 -0.235 0.000 1.004 8 L CA -0.666 54.037 54.840 -0.229 0.000 0.820 8 L CB 0.558 42.435 42.059 -0.302 0.000 1.247 8 L HN 0.584 nan 8.230 nan 0.000 0.416 9 Y N 1.403 121.792 120.300 0.148 0.000 2.326 9 Y HA 0.607 5.156 4.550 -0.000 0.000 0.331 9 Y C 0.525 176.403 175.900 -0.036 0.000 0.962 9 Y CA -0.867 57.267 58.100 0.057 0.000 1.167 9 Y CB 1.857 40.349 38.460 0.053 0.000 1.148 9 Y HN 0.654 nan 8.280 nan 0.000 0.463 10 A N 6.144 128.817 122.820 -0.246 0.000 2.391 10 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 10 A C 0.020 177.595 177.584 -0.016 0.000 1.381 10 A CA -0.426 51.335 52.037 -0.461 0.000 0.998 10 A CB -0.793 16.934 19.000 -2.122 0.000 1.147 10 A HN 0.830 nan 8.150 nan 0.000 0.545 11 I N -0.779 119.930 120.570 0.231 0.000 3.217 11 I HA 0.814 4.984 4.170 -0.000 0.000 0.308 11 I C -0.238 175.882 176.117 0.003 0.000 1.091 11 I CA -1.411 59.957 61.300 0.113 0.000 1.013 11 I CB 1.786 39.796 38.000 0.017 0.000 1.250 11 I HN 0.438 nan 8.210 nan 0.000 0.496 12 R N 2.329 122.754 120.500 -0.125 0.000 2.502 12 R HA 0.539 4.878 4.340 -0.000 0.000 0.298 12 R C -1.661 174.486 176.300 -0.255 0.000 1.018 12 R CA -0.656 55.291 56.100 -0.256 0.000 0.899 12 R CB 2.067 32.216 30.300 -0.251 0.000 1.181 12 R HN 0.578 nan 8.270 nan 0.000 0.444 13 L N 5.345 126.343 121.223 -0.375 0.000 2.278 13 L HA 0.369 4.709 4.340 -0.000 0.000 0.287 13 L C -1.868 174.804 176.870 -0.330 0.000 1.072 13 L CA -1.882 52.613 54.840 -0.575 0.000 0.819 13 L CB 0.848 42.099 42.059 -1.347 0.000 1.176 13 L HN 0.264 nan 8.230 nan 0.000 0.435 14 P HA 0.133 nan 4.420 nan 0.000 0.276 14 P C -0.870 176.536 177.300 0.176 0.000 1.235 14 P CA -0.109 62.996 63.100 0.007 0.000 0.772 14 P CB 1.092 32.790 31.700 -0.004 0.000 0.871 15 L N 3.976 125.307 121.223 0.180 0.000 2.309 15 L HA 0.390 4.730 4.340 -0.000 0.000 0.282 15 L C 2.255 179.188 176.870 0.104 0.000 1.036 15 L CA -0.684 54.270 54.840 0.190 0.000 0.806 15 L CB 1.606 43.763 42.059 0.164 0.000 1.220 15 L HN 0.392 nan 8.230 nan 0.000 0.429 16 R N 2.112 122.656 120.500 0.074 0.000 2.105 16 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 16 R C -0.222 176.108 176.300 0.050 0.000 1.135 16 R CA 1.407 57.537 56.100 0.050 0.000 0.967 16 R CB 0.183 30.501 30.300 0.031 0.000 0.861 16 R HN 0.729 nan 8.270 nan 0.000 0.442 17 N N -1.022 117.713 118.700 0.058 0.000 2.329 17 N HA 0.313 5.053 4.740 -0.000 0.000 0.282 17 N C -2.886 172.682 175.510 0.097 0.000 1.198 17 N CA -1.581 51.508 53.050 0.065 0.000 0.790 17 N CB 2.047 40.568 38.487 0.058 0.000 1.579 17 N HN -0.141 nan 8.380 nan 0.000 0.475 18 P HA 0.046 nan 4.420 nan 0.000 0.267 18 P C -1.164 176.237 177.300 0.170 0.000 1.209 18 P CA 0.067 63.239 63.100 0.121 0.000 0.763 18 P CB 0.138 31.875 31.700 0.062 0.000 0.816 19 F N 5.675 125.667 119.950 0.071 0.000 2.413 19 F HA 0.282 4.809 4.527 -0.000 0.000 0.359 19 F C -0.555 175.299 175.800 0.090 0.000 1.122 19 F CA -0.551 57.485 58.000 0.060 0.000 1.160 19 F CB 0.379 39.416 39.000 0.061 0.000 1.146 19 F HN -0.007 nan 8.300 nan 0.000 0.514 20 V N 8.456 128.118 119.914 -0.420 0.000 2.417 20 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 20 V C 0.278 176.024 176.094 -0.580 0.000 1.024 20 V CA -0.630 61.431 62.300 -0.399 0.000 0.861 20 V CB 1.073 32.760 31.823 -0.228 0.000 0.985 20 V HN 0.717 nan 8.190 nan 0.000 0.436 21 I N 1.120 121.383 120.570 -0.511 0.000 3.457 21 I HA 0.591 4.761 4.170 -0.000 0.000 0.307 21 I C 1.321 177.174 176.117 -0.440 0.000 1.138 21 I CA -0.572 60.414 61.300 -0.524 0.000 0.974 21 I CB 1.731 39.355 38.000 -0.627 0.000 1.324 21 I HN 0.401 nan 8.210 nan 0.000 0.485 22 S N 0.466 115.896 115.700 -0.451 0.000 2.365 22 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 22 S C 1.277 175.731 174.600 -0.243 0.000 1.039 22 S CA 2.179 60.197 58.200 -0.302 0.000 1.033 22 S CB -0.610 62.458 63.200 -0.219 0.000 0.887 22 S HN 0.739 nan 8.310 nan 0.000 0.447 23 Y N -0.267 119.931 120.300 -0.169 0.000 2.708 23 Y HA 0.699 5.249 4.550 -0.000 0.000 0.287 23 Y C 0.402 176.094 175.900 -0.347 0.000 1.145 23 Y CA -0.756 57.192 58.100 -0.254 0.000 1.249 23 Y CB -0.347 37.919 38.460 -0.323 0.000 1.152 23 Y HN 0.241 nan 8.280 nan 0.000 0.532 24 G N -0.638 108.009 108.800 -0.255 0.000 2.347 24 G HA2 0.336 4.296 3.960 -0.000 0.000 0.303 24 G HA3 0.336 4.296 3.960 -0.000 0.000 0.303 24 G C -1.914 172.759 174.900 -0.378 0.000 1.481 24 G CA -0.681 44.248 45.100 -0.284 0.000 0.914 24 G HN 0.242 nan 8.290 nan 0.000 0.638 25 S N -0.710 114.739 115.700 -0.419 0.000 2.482 25 S HA 0.821 5.290 4.470 -0.000 0.000 0.303 25 S C -1.418 172.930 174.600 -0.421 0.000 1.091 25 S CA -0.585 57.430 58.200 -0.308 0.000 1.057 25 S CB 0.876 63.979 63.200 -0.163 0.000 1.031 25 S HN 0.551 nan 8.310 nan 0.000 0.485 26 Y N 2.168 122.510 120.300 0.069 0.000 2.331 26 Y HA 0.302 4.852 4.550 -0.000 0.000 0.334 26 Y C 1.378 177.338 175.900 0.099 0.000 0.960 26 Y CA -0.704 57.465 58.100 0.115 0.000 1.130 26 Y CB 1.998 40.580 38.460 0.204 0.000 1.164 26 Y HN 0.760 nan 8.280 nan 0.000 0.458 27 S N -0.186 115.624 115.700 0.184 0.000 2.486 27 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 27 S C 0.126 174.802 174.600 0.127 0.000 1.011 27 S CA 0.728 59.001 58.200 0.122 0.000 0.921 27 S CB 0.007 63.246 63.200 0.066 0.000 0.785 27 S HN 0.780 nan 8.310 nan 0.000 0.517 28 D N -0.359 120.128 120.400 0.144 0.000 2.768 28 D HA 0.491 5.131 4.640 -0.000 0.000 0.327 28 D C -1.372 174.982 176.300 0.091 0.000 1.302 28 D CA -0.688 53.371 54.000 0.098 0.000 0.897 28 D CB 0.776 41.580 40.800 0.006 0.000 1.420 28 D HN 0.110 nan 8.370 nan 0.000 0.494 29 M N 0.300 119.897 119.600 -0.005 0.000 2.090 29 M HA 0.465 4.945 4.480 -0.000 0.000 0.277 29 M C -2.922 173.233 176.300 -0.242 0.000 0.935 29 M CA -1.662 53.600 55.300 -0.064 0.000 0.966 29 M CB 2.144 34.788 32.600 0.073 0.000 1.635 29 M HN 0.037 nan 8.290 nan 0.000 0.446 30 P HA 0.310 nan 4.420 nan 0.000 0.268 30 P C -1.252 175.828 177.300 -0.366 0.000 1.205 30 P CA -0.119 62.506 63.100 -0.792 0.000 0.771 30 P CB 1.038 31.984 31.700 -1.255 0.000 0.858 31 S N 2.536 118.162 115.700 -0.124 0.000 2.550 31 S HA 0.637 5.106 4.470 -0.000 0.000 0.270 31 S C -1.597 173.227 174.600 0.374 0.000 1.145 31 S CA -0.677 57.619 58.200 0.159 0.000 0.852 31 S CB 0.638 63.850 63.200 0.021 0.000 1.119 31 S HN 0.109 nan 8.310 nan 0.000 0.465 32 I N 4.160 124.904 120.570 0.290 0.000 2.378 32 I HA 0.489 4.658 4.170 -0.000 0.000 0.291 32 I C -0.641 175.594 176.117 0.197 0.000 0.992 32 I CA -0.701 60.745 61.300 0.244 0.000 1.154 32 I CB 1.431 39.555 38.000 0.207 0.000 1.315 32 I HN 0.566 nan 8.210 nan 0.000 0.448 33 I N 6.892 127.602 120.570 0.234 0.000 2.493 33 I HA 0.469 4.639 4.170 -0.000 0.000 0.298 33 I C 0.048 176.357 176.117 0.320 0.000 0.998 33 I CA -0.884 60.572 61.300 0.261 0.000 1.137 33 I CB 2.005 40.159 38.000 0.256 0.000 1.310 33 I HN 0.272 nan 8.210 nan 0.000 0.445 34 V N 3.125 123.188 119.914 0.249 0.000 2.604 34 V HA 0.626 4.746 4.120 -0.000 0.000 0.305 34 V C -0.588 175.580 176.094 0.124 0.000 1.043 34 V CA -0.801 61.600 62.300 0.169 0.000 0.888 34 V CB 2.110 33.965 31.823 0.053 0.000 0.995 34 V HN 0.837 nan 8.190 nan 0.000 0.429 35 K N 5.071 125.530 120.400 0.097 0.000 2.394 35 K HA 0.594 4.914 4.320 -0.000 0.000 0.260 35 K C -1.116 175.448 176.600 -0.060 0.000 0.967 35 K CA -0.715 55.474 56.287 -0.163 0.000 0.855 35 K CB 1.755 34.196 32.500 -0.098 0.000 1.101 35 K HN 0.997 nan 8.250 nan 0.000 0.433 36 M N 4.213 123.725 119.600 -0.147 0.000 2.129 36 M HA 0.238 4.718 4.480 -0.000 0.000 0.348 36 M C -1.018 175.236 176.300 -0.077 0.000 1.116 36 M CA -0.193 55.055 55.300 -0.087 0.000 1.022 36 M CB 1.049 33.595 32.600 -0.089 0.000 1.599 36 M HN 0.518 nan 8.290 nan 0.000 0.449 37 E N 2.654 122.830 120.200 -0.039 0.000 2.204 37 E HA 0.463 4.813 4.350 -0.000 0.000 0.276 37 E C -0.618 175.957 176.600 -0.042 0.000 0.974 37 E CA -0.601 55.783 56.400 -0.026 0.000 0.815 37 E CB 1.751 31.462 29.700 0.019 0.000 1.119 37 E HN 0.681 nan 8.360 nan 0.000 0.393 38 T N -1.690 112.842 114.554 -0.037 0.000 2.924 38 T HA 0.141 4.491 4.350 -0.000 0.000 0.291 38 T C 0.654 175.336 174.700 -0.030 0.000 1.045 38 T CA -0.894 61.182 62.100 -0.040 0.000 1.015 38 T CB 1.292 70.134 68.868 -0.044 0.000 1.103 38 T HN 0.460 nan 8.240 nan 0.000 0.496 39 D N 0.021 120.402 120.400 -0.032 0.000 2.351 39 D HA -0.129 4.511 4.640 -0.000 0.000 0.216 39 D C 0.938 177.226 176.300 -0.020 0.000 0.968 39 D CA 0.836 54.821 54.000 -0.025 0.000 0.899 39 D CB -0.238 40.547 40.800 -0.027 0.000 0.907 39 D HN 0.831 nan 8.370 nan 0.000 0.514 40 E N -0.486 119.701 120.200 -0.022 0.000 2.444 40 E HA 0.275 4.625 4.350 -0.000 0.000 0.191 40 E C 1.214 177.806 176.600 -0.014 0.000 1.041 40 E CA 0.195 56.584 56.400 -0.018 0.000 0.883 40 E CB 0.163 29.851 29.700 -0.021 0.000 1.024 40 E HN 0.436 nan 8.360 nan 0.000 0.470 41 G N 1.824 110.617 108.800 -0.012 0.000 2.212 41 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 41 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 41 G C 0.400 175.296 174.900 -0.007 0.000 0.978 41 G CA 0.167 45.263 45.100 -0.006 0.000 0.632 41 G HN 0.300 nan 8.290 nan 0.000 0.537 42 I N 2.229 122.791 120.570 -0.013 0.000 2.496 42 I HA 0.451 4.621 4.170 -0.000 0.000 0.285 42 I C 1.009 177.112 176.117 -0.023 0.000 1.080 42 I CA -0.467 60.825 61.300 -0.013 0.000 1.404 42 I CB 0.808 38.797 38.000 -0.018 0.000 1.403 42 I HN 0.350 nan 8.210 nan 0.000 0.539 43 I N 2.672 123.230 120.570 -0.019 0.000 2.603 43 I HA 0.914 5.084 4.170 -0.000 0.000 0.300 43 I C -0.153 175.927 176.117 -0.062 0.000 1.017 43 I CA -0.501 60.762 61.300 -0.061 0.000 1.098 43 I CB 2.063 40.013 38.000 -0.084 0.000 1.279 43 I HN 0.544 nan 8.210 nan 0.000 0.437 44 G N 4.146 112.868 108.800 -0.131 0.000 2.524 44 G HA2 0.645 4.605 3.960 -0.000 0.000 0.310 44 G HA3 0.645 4.605 3.960 -0.000 0.000 0.310 44 G C -2.034 172.753 174.900 -0.188 0.000 1.279 44 G CA -0.568 44.493 45.100 -0.065 0.000 0.974 44 G HN 0.577 nan 8.290 nan 0.000 0.484 45 Y N -0.118 120.203 120.300 0.035 0.000 2.377 45 Y HA 0.672 5.222 4.550 -0.000 0.000 0.339 45 Y C 0.839 176.771 175.900 0.055 0.000 1.011 45 Y CA -0.117 58.012 58.100 0.048 0.000 1.093 45 Y CB 2.666 41.145 38.460 0.031 0.000 1.201 45 Y HN 0.774 nan 8.280 nan 0.000 0.455 46 G N 1.246 110.165 108.800 0.198 0.000 2.658 46 G HA2 0.637 4.597 3.960 -0.000 0.000 0.292 46 G HA3 0.637 4.597 3.960 -0.000 0.000 0.292 46 G C -1.899 173.092 174.900 0.153 0.000 1.320 46 G CA -0.780 44.409 45.100 0.148 0.000 0.933 46 G HN 0.522 nan 8.290 nan 0.000 0.476 47 E N -1.010 119.264 120.200 0.123 0.000 2.343 47 E HA 0.592 4.942 4.350 -0.000 0.000 0.278 47 E C -0.971 175.690 176.600 0.101 0.000 0.910 47 E CA -1.034 55.437 56.400 0.117 0.000 0.757 47 E CB 2.117 31.881 29.700 0.105 0.000 1.218 47 E HN 0.836 nan 8.360 nan 0.000 0.435 48 G N 1.822 110.688 108.800 0.110 0.000 2.737 48 G HA2 0.462 4.422 3.960 -0.000 0.000 0.290 48 G HA3 0.462 4.422 3.960 -0.000 0.000 0.290 48 G C -1.545 173.431 174.900 0.127 0.000 1.482 48 G CA -0.429 44.734 45.100 0.107 0.000 1.017 48 G HN 0.333 nan 8.290 nan 0.000 0.529 49 V N 3.169 123.144 119.914 0.101 0.000 2.326 49 V HA 0.795 4.915 4.120 -0.000 0.000 0.281 49 V C 0.327 176.478 176.094 0.094 0.000 1.015 49 V CA -0.457 61.902 62.300 0.098 0.000 0.823 49 V CB 0.695 32.552 31.823 0.057 0.000 1.009 49 V HN 1.117 nan 8.190 nan 0.000 0.436 50 A N 4.867 127.766 122.820 0.133 0.000 2.354 50 A HA 0.606 4.926 4.320 -0.000 0.000 0.269 50 A C -0.162 177.490 177.584 0.114 0.000 1.109 50 A CA -0.320 51.793 52.037 0.126 0.000 0.800 50 A CB 0.695 19.793 19.000 0.164 0.000 1.045 50 A HN 0.877 nan 8.150 nan 0.000 0.489 51 D N 1.713 122.174 120.400 0.103 0.000 2.454 51 D HA 0.242 4.882 4.640 -0.000 0.000 0.247 51 D C -0.186 176.156 176.300 0.071 0.000 1.129 51 D CA -0.397 53.681 54.000 0.131 0.000 0.877 51 D CB 0.901 41.796 40.800 0.158 0.000 1.082 51 D HN 0.431 nan 8.370 nan 0.000 0.537 52 D N 1.460 121.861 120.400 0.001 0.000 2.172 52 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 52 D C 1.162 177.332 176.300 -0.217 0.000 0.999 52 D CA 1.494 55.411 54.000 -0.137 0.000 0.856 52 D CB -0.179 40.466 40.800 -0.259 0.000 0.934 52 D HN 0.642 nan 8.370 nan 0.000 0.453 53 H N -1.164 117.892 119.070 -0.023 0.000 2.547 53 H HA 0.117 4.673 4.556 -0.000 0.000 0.272 53 H C 1.652 176.847 175.328 -0.221 0.000 0.989 53 H CA 0.307 56.226 56.048 -0.215 0.000 1.214 53 H CB 0.464 29.877 29.762 -0.582 0.000 1.389 53 H HN 0.034 nan 8.280 nan 0.000 0.577 54 V N -0.820 119.090 119.914 -0.007 0.000 2.854 54 V HA -0.053 4.067 4.120 -0.000 0.000 0.236 54 V C 2.041 178.143 176.094 0.013 0.000 1.157 54 V CA 1.554 63.857 62.300 0.004 0.000 1.187 54 V CB 0.283 32.139 31.823 0.056 0.000 0.949 54 V HN 0.547 nan 8.190 nan 0.000 0.488 55 T N -2.421 112.147 114.554 0.024 0.000 3.044 55 T HA 0.343 4.693 4.350 -0.000 0.000 0.260 55 T C 1.425 176.142 174.700 0.028 0.000 1.019 55 T CA 0.716 62.832 62.100 0.026 0.000 0.921 55 T CB 0.619 69.506 68.868 0.033 0.000 1.053 55 T HN 1.042 nan 8.240 nan 0.000 0.533 56 G N 1.232 110.042 108.800 0.015 0.000 2.225 56 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.267 56 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.267 56 G C -0.367 174.555 174.900 0.037 0.000 1.024 56 G CA 0.221 45.331 45.100 0.016 0.000 0.784 56 G HN 0.680 nan 8.290 nan 0.000 0.507 57 E N -0.167 120.063 120.200 0.049 0.000 2.212 57 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 57 E C 0.239 176.899 176.600 0.100 0.000 0.902 57 E CA -0.159 56.288 56.400 0.078 0.000 0.779 57 E CB 1.751 31.501 29.700 0.084 0.000 1.172 57 E HN 0.441 nan 8.360 nan 0.000 0.409 58 S N 0.914 116.697 115.700 0.138 0.000 2.677 58 S HA 0.246 4.716 4.470 -0.000 0.000 0.304 58 S C 0.214 174.988 174.600 0.290 0.000 1.108 58 S CA -0.842 57.474 58.200 0.193 0.000 0.944 58 S CB 0.993 64.300 63.200 0.179 0.000 1.127 58 S HN 0.803 nan 8.310 nan 0.000 0.511 59 W N 1.709 123.083 121.300 0.123 0.000 2.315 59 W HA -0.102 4.558 4.660 -0.000 0.000 0.323 59 W C 1.789 178.438 176.519 0.216 0.000 1.233 59 W CA 2.309 59.738 57.345 0.139 0.000 1.267 59 W CB -0.954 28.577 29.460 0.118 0.000 1.160 59 W HN 0.917 nan 8.180 nan 0.000 0.474 60 E N -0.031 120.307 120.200 0.230 0.000 2.077 60 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 60 E C 2.473 179.264 176.600 0.320 0.000 0.989 60 E CA 2.236 58.728 56.400 0.154 0.000 0.800 60 E CB -0.953 28.856 29.700 0.181 0.000 0.746 60 E HN 0.308 nan 8.360 nan 0.000 0.452 61 S N -0.175 115.678 115.700 0.255 0.000 2.382 61 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 61 S C 2.034 176.761 174.600 0.213 0.000 1.027 61 S CA 1.668 60.005 58.200 0.228 0.000 0.991 61 S CB -0.690 62.602 63.200 0.154 0.000 0.823 61 S HN 0.200 nan 8.310 nan 0.000 0.469 62 T N 1.463 116.129 114.554 0.188 0.000 2.777 62 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 62 T C 1.269 176.030 174.700 0.101 0.000 1.040 62 T CA 1.375 63.559 62.100 0.139 0.000 1.141 62 T CB -0.629 68.330 68.868 0.152 0.000 0.868 62 T HN 0.506 nan 8.240 nan 0.000 0.444 63 F N 1.867 121.785 119.950 -0.054 0.000 2.095 63 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 63 F C 2.493 178.161 175.800 -0.219 0.000 1.104 63 F CA 1.595 59.487 58.000 -0.180 0.000 1.232 63 F CB -0.333 38.500 39.000 -0.279 0.000 0.987 63 F HN 0.276 nan 8.300 nan 0.000 0.475 64 H N -1.030 118.104 119.070 0.106 0.000 2.395 64 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 64 H C 2.483 177.818 175.328 0.012 0.000 1.070 64 H CA 1.909 57.987 56.048 0.050 0.000 1.356 64 H CB -0.884 29.030 29.762 0.253 0.000 1.401 64 H HN 0.383 nan 8.280 nan 0.000 0.524 65 T N -0.433 114.195 114.554 0.124 0.000 2.962 65 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 65 T C 2.224 176.904 174.700 -0.033 0.000 1.088 65 T CA 0.469 62.611 62.100 0.070 0.000 1.127 65 T CB -0.368 68.541 68.868 0.069 0.000 0.883 65 T HN 0.150 nan 8.240 nan 0.000 0.493 66 L N 0.153 121.301 121.223 -0.124 0.000 2.044 66 L HA 0.108 4.448 4.340 -0.000 0.000 0.205 66 L C 3.018 179.713 176.870 -0.293 0.000 1.075 66 L CA 1.505 56.227 54.840 -0.196 0.000 0.747 66 L CB -0.413 41.502 42.059 -0.239 0.000 0.903 66 L HN 0.257 nan 8.230 nan 0.000 0.435 67 K N -0.373 119.736 120.400 -0.485 0.000 2.002 67 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 67 K C 1.918 178.234 176.600 -0.473 0.000 1.048 67 K CA 1.875 57.789 56.287 -0.621 0.000 0.930 67 K CB -0.050 31.852 32.500 -0.996 0.000 0.714 67 K HN 0.418 nan 8.250 nan 0.000 0.438 68 H N -1.558 117.452 119.070 -0.100 0.000 2.547 68 H HA 0.114 4.670 4.556 -0.000 0.000 0.272 68 H C 1.318 176.619 175.328 -0.045 0.000 0.971 68 H CA 1.050 57.068 56.048 -0.050 0.000 1.245 68 H CB 0.779 30.538 29.762 -0.005 0.000 1.440 68 H HN 0.158 nan 8.280 nan 0.000 0.540 69 T N -0.409 114.173 114.554 0.047 0.000 3.151 69 T HA 0.134 4.484 4.350 -0.000 0.000 0.239 69 T C 1.906 176.595 174.700 -0.018 0.000 0.979 69 T CA 0.087 62.202 62.100 0.024 0.000 1.194 69 T CB 0.008 68.899 68.868 0.038 0.000 0.982 69 T HN 0.042 nan 8.240 nan 0.000 0.428 70 L N 1.589 122.786 121.223 -0.043 0.000 2.049 70 L HA -0.030 4.310 4.340 -0.000 0.000 0.203 70 L C 3.139 179.958 176.870 -0.084 0.000 1.074 70 L CA 1.660 56.464 54.840 -0.060 0.000 0.749 70 L CB -1.073 40.947 42.059 -0.065 0.000 0.907 70 L HN 0.440 nan 8.230 nan 0.000 0.439 71 T N -2.353 112.131 114.554 -0.117 0.000 2.720 71 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 71 T C -0.464 174.170 174.700 -0.110 0.000 1.037 71 T CA 0.970 62.992 62.100 -0.130 0.000 1.144 71 T CB -1.912 66.849 68.868 -0.180 0.000 0.864 71 T HN 0.205 nan 8.240 nan 0.000 0.444 72 P HA 0.027 nan 4.420 nan 0.000 0.218 72 P C 1.539 178.803 177.300 -0.059 0.000 1.148 72 P CA 1.575 64.630 63.100 -0.074 0.000 0.822 72 P CB -0.321 31.348 31.700 -0.052 0.000 0.784 73 A N -0.808 121.980 122.820 -0.054 0.000 2.167 73 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 73 A C 2.203 179.754 177.584 -0.055 0.000 1.151 73 A CA 0.645 52.655 52.037 -0.045 0.000 0.735 73 A CB -1.173 17.806 19.000 -0.035 0.000 0.802 73 A HN 0.156 nan 8.150 nan 0.000 0.467 74 L N -0.845 120.336 121.223 -0.070 0.000 2.513 74 L HA 0.189 4.529 4.340 -0.000 0.000 0.222 74 L C -0.061 176.762 176.870 -0.077 0.000 1.096 74 L CA -0.397 54.397 54.840 -0.078 0.000 0.857 74 L CB -0.137 41.866 42.059 -0.092 0.000 1.026 74 L HN 0.166 nan 8.230 nan 0.000 0.469 75 I N 0.977 121.501 120.570 -0.077 0.000 2.752 75 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 75 I C 1.429 177.509 176.117 -0.061 0.000 1.197 75 I CA 1.121 62.377 61.300 -0.074 0.000 1.432 75 I CB 0.370 38.325 38.000 -0.076 0.000 1.359 75 I HN 0.299 nan 8.210 nan 0.000 0.571 76 G N 3.786 112.550 108.800 -0.059 0.000 2.199 76 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 76 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 76 G C 0.435 175.304 174.900 -0.051 0.000 0.982 76 G CA -0.002 45.068 45.100 -0.050 0.000 0.632 76 G HN 0.565 nan 8.290 nan 0.000 0.529 77 Q N 0.473 120.237 119.800 -0.059 0.000 2.306 77 Q HA 0.586 4.926 4.340 -0.000 0.000 0.241 77 Q C 0.132 176.090 176.000 -0.069 0.000 0.948 77 Q CA -0.574 55.192 55.803 -0.062 0.000 0.886 77 Q CB 0.720 29.418 28.738 -0.067 0.000 1.227 77 Q HN 0.276 nan 8.270 nan 0.000 0.457 78 N N 3.347 122.005 118.700 -0.070 0.000 2.406 78 N HA 0.188 4.928 4.740 -0.000 0.000 0.251 78 N C -2.071 173.376 175.510 -0.105 0.000 1.069 78 N CA -1.796 51.206 53.050 -0.079 0.000 0.947 78 N CB 1.026 39.471 38.487 -0.069 0.000 1.111 78 N HN 0.378 nan 8.380 nan 0.000 0.497 79 P HA -0.083 nan 4.420 nan 0.000 0.230 79 P C 1.121 178.303 177.300 -0.197 0.000 1.158 79 P CA 0.725 63.734 63.100 -0.152 0.000 0.769 79 P CB 0.336 31.957 31.700 -0.132 0.000 0.807 80 M N -0.468 119.036 119.600 -0.160 0.000 2.349 80 M HA -0.015 4.465 4.480 -0.000 0.000 0.266 80 M C 0.485 176.670 176.300 -0.191 0.000 1.076 80 M CA 0.932 56.131 55.300 -0.170 0.000 1.126 80 M CB -1.371 31.163 32.600 -0.110 0.000 1.392 80 M HN 0.020 nan 8.290 nan 0.000 0.440 81 N N 1.399 119.999 118.700 -0.167 0.000 3.083 81 N HA 0.107 4.847 4.740 -0.000 0.000 0.260 81 N C 1.053 176.441 175.510 -0.204 0.000 1.163 81 N CA -0.367 52.589 53.050 -0.156 0.000 1.060 81 N CB 1.028 39.456 38.487 -0.098 0.000 1.345 81 N HN 0.064 nan 8.380 nan 0.000 0.515 82 I N 1.452 121.825 120.570 -0.327 0.000 2.208 82 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 82 I C 2.254 178.212 176.117 -0.265 0.000 1.097 82 I CA 1.755 62.814 61.300 -0.402 0.000 1.363 82 I CB -0.216 37.352 38.000 -0.721 0.000 1.051 82 I HN 0.502 nan 8.210 nan 0.000 0.413 83 E N 0.895 120.914 120.200 -0.301 0.000 2.077 83 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 83 E C 2.185 178.819 176.600 0.057 0.000 0.989 83 E CA 1.786 58.176 56.400 -0.017 0.000 0.800 83 E CB -0.115 29.625 29.700 0.068 0.000 0.746 83 E HN 0.230 nan 8.360 nan 0.000 0.452 84 K N 0.012 120.405 120.400 -0.012 0.000 2.025 84 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 84 K C 1.940 178.533 176.600 -0.011 0.000 1.049 84 K CA 1.314 57.598 56.287 -0.005 0.000 0.933 84 K CB -0.270 32.210 32.500 -0.033 0.000 0.714 84 K HN 0.144 nan 8.250 nan 0.000 0.438 85 I N 0.857 121.395 120.570 -0.055 0.000 2.151 85 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 85 I C 2.004 178.062 176.117 -0.098 0.000 1.080 85 I CA 1.829 63.068 61.300 -0.101 0.000 1.339 85 I CB -1.114 36.784 38.000 -0.169 0.000 1.039 85 I HN 0.344 nan 8.210 nan 0.000 0.409 86 H N -0.182 118.886 119.070 -0.004 0.000 2.423 86 H HA -0.170 4.386 4.556 -0.000 0.000 0.297 86 H C 1.971 177.324 175.328 0.041 0.000 1.075 86 H CA 1.779 57.854 56.048 0.045 0.000 1.342 86 H CB -0.084 29.753 29.762 0.125 0.000 1.395 86 H HN 0.311 nan 8.280 nan 0.000 0.530 87 D N -0.232 120.255 120.400 0.144 0.000 2.117 87 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 87 D C 2.209 178.541 176.300 0.052 0.000 0.987 87 D CA 1.025 55.081 54.000 0.094 0.000 0.829 87 D CB -0.044 40.800 40.800 0.073 0.000 0.961 87 D HN 0.189 nan 8.370 nan 0.000 0.460 88 M N -0.350 119.262 119.600 0.021 0.000 2.086 88 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 88 M C 1.980 178.279 176.300 -0.002 0.000 1.067 88 M CA 1.600 56.899 55.300 -0.001 0.000 1.116 88 M CB -0.375 32.209 32.600 -0.026 0.000 1.348 88 M HN 0.080 nan 8.290 nan 0.000 0.407 89 M N -0.285 119.303 119.600 -0.020 0.000 2.086 89 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 89 M C 1.627 177.939 176.300 0.021 0.000 1.067 89 M CA 1.792 57.079 55.300 -0.022 0.000 1.116 89 M CB -1.008 31.549 32.600 -0.071 0.000 1.348 89 M HN 0.225 nan 8.290 nan 0.000 0.407 90 D N 0.430 120.860 120.400 0.050 0.000 2.144 90 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 90 D C 1.487 177.832 176.300 0.074 0.000 0.984 90 D CA 1.178 55.218 54.000 0.068 0.000 0.834 90 D CB -0.594 40.258 40.800 0.085 0.000 0.955 90 D HN 0.494 nan 8.370 nan 0.000 0.465 91 N N -0.548 118.186 118.700 0.058 0.000 2.244 91 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 91 N C 1.827 177.364 175.510 0.046 0.000 1.016 91 N CA 1.429 54.510 53.050 0.052 0.000 0.866 91 N CB 0.129 38.639 38.487 0.037 0.000 0.980 91 N HN 0.213 nan 8.380 nan 0.000 0.430 92 T N -1.458 113.117 114.554 0.036 0.000 2.978 92 T HA 0.117 4.467 4.350 -0.000 0.000 0.262 92 T C 0.635 175.363 174.700 0.046 0.000 1.063 92 T CA 0.281 62.399 62.100 0.030 0.000 1.140 92 T CB 0.241 69.116 68.868 0.012 0.000 0.886 92 T HN 0.113 nan 8.240 nan 0.000 0.470 93 I N 0.029 120.636 120.570 0.061 0.000 2.775 93 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 93 I C -1.776 174.418 176.117 0.129 0.000 1.287 93 I CA -1.650 59.704 61.300 0.090 0.000 1.029 93 I CB 2.133 40.173 38.000 0.066 0.000 1.282 93 I HN 0.202 nan 8.210 nan 0.000 0.426 94 Y N 7.274 127.590 120.300 0.026 0.000 2.301 94 Y HA 0.620 5.170 4.550 -0.000 0.000 0.325 94 Y C 0.874 176.794 175.900 0.034 0.000 1.203 94 Y CA 1.467 59.586 58.100 0.030 0.000 1.255 94 Y CB 1.169 39.644 38.460 0.024 0.000 1.232 94 Y HN 0.949 nan 8.280 nan 0.000 0.501 95 G N 1.957 110.439 108.800 -0.531 0.000 2.556 95 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.283 95 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.283 95 G C 0.196 175.037 174.900 -0.098 0.000 1.177 95 G CA -0.046 44.853 45.100 -0.335 0.000 0.978 95 G HN 1.663 nan 8.290 nan 0.000 0.554 96 V N 1.347 121.249 119.914 -0.021 0.000 5.479 96 V HA -0.215 3.905 4.120 -0.000 0.000 0.289 96 V C 0.263 176.364 176.094 0.011 0.000 0.595 96 V CA 2.366 64.675 62.300 0.016 0.000 0.649 96 V CB -0.929 30.914 31.823 0.033 0.000 0.390 96 V HN 0.918 nan 8.190 nan 0.000 0.974 97 P HA -0.163 nan 4.420 nan 0.000 0.216 97 P C 1.529 178.855 177.300 0.043 0.000 1.150 97 P CA 2.000 65.112 63.100 0.020 0.000 0.837 97 P CB 0.092 31.795 31.700 0.004 0.000 0.786 98 T N 0.243 114.825 114.554 0.047 0.000 2.746 98 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 98 T C 2.116 176.852 174.700 0.061 0.000 1.039 98 T CA 1.757 63.893 62.100 0.061 0.000 1.142 98 T CB -0.813 68.100 68.868 0.074 0.000 0.866 98 T HN 0.099 nan 8.240 nan 0.000 0.444 99 A N 1.793 124.644 122.820 0.051 0.000 1.902 99 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 99 A C 2.232 179.827 177.584 0.018 0.000 1.181 99 A CA 1.522 53.579 52.037 0.034 0.000 0.623 99 A CB -0.408 18.606 19.000 0.023 0.000 0.818 99 A HN 0.464 nan 8.150 nan 0.000 0.443 100 K N -0.226 120.186 120.400 0.021 0.000 2.148 100 K HA 0.005 4.324 4.320 -0.000 0.000 0.204 100 K C 2.231 178.855 176.600 0.041 0.000 1.050 100 K CA 0.930 57.220 56.287 0.006 0.000 0.942 100 K CB -0.287 32.231 32.500 0.030 0.000 0.724 100 K HN 0.444 nan 8.250 nan 0.000 0.446 101 A N 1.725 124.591 122.820 0.078 0.000 1.902 101 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 101 A C 2.414 180.052 177.584 0.090 0.000 1.181 101 A CA 1.751 53.851 52.037 0.105 0.000 0.623 101 A CB -0.688 18.364 19.000 0.087 0.000 0.818 101 A HN 0.312 nan 8.150 nan 0.000 0.443 102 A N -0.201 122.660 122.820 0.067 0.000 1.908 102 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 102 A C 2.126 179.739 177.584 0.048 0.000 1.181 102 A CA 1.705 53.782 52.037 0.066 0.000 0.627 102 A CB -0.562 18.472 19.000 0.057 0.000 0.818 102 A HN 0.511 nan 8.150 nan 0.000 0.445 103 I N -0.598 119.980 120.570 0.012 0.000 2.333 103 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 103 I C 2.354 178.468 176.117 -0.006 0.000 1.106 103 I CA 1.414 62.699 61.300 -0.025 0.000 1.411 103 I CB -0.275 37.676 38.000 -0.081 0.000 1.082 103 I HN 0.465 nan 8.210 nan 0.000 0.420 104 D N 1.623 122.043 120.400 0.032 0.000 2.104 104 D HA -0.213 4.426 4.640 -0.000 0.000 0.194 104 D C 2.223 178.685 176.300 0.270 0.000 0.994 104 D CA 1.660 55.754 54.000 0.156 0.000 0.830 104 D CB 0.035 41.029 40.800 0.323 0.000 0.959 104 D HN 0.329 nan 8.370 nan 0.000 0.452 105 I N 1.230 121.928 120.570 0.212 0.000 2.226 105 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 105 I C 2.825 179.045 176.117 0.172 0.000 1.100 105 I CA 1.126 62.552 61.300 0.210 0.000 1.374 105 I CB -0.323 37.762 38.000 0.142 0.000 1.057 105 I HN 0.011 nan 8.210 nan 0.000 0.413 106 A N -0.066 122.816 122.820 0.103 0.000 1.933 106 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 106 A C 2.449 180.043 177.584 0.017 0.000 1.175 106 A CA 1.839 53.908 52.037 0.055 0.000 0.628 106 A CB -1.229 17.775 19.000 0.006 0.000 0.814 106 A HN 0.553 nan 8.150 nan 0.000 0.444 107 C N -1.958 117.332 119.300 -0.016 0.000 2.429 107 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 107 C C 2.410 177.303 174.990 -0.162 0.000 1.262 107 C CA 0.870 59.813 59.018 -0.125 0.000 1.733 107 C CB -1.732 25.876 27.740 -0.219 0.000 2.010 107 C HN 0.637 nan 8.230 nan 0.000 0.483 108 F N 0.933 120.868 119.950 -0.024 0.000 2.259 108 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 108 F C 2.182 177.949 175.800 -0.055 0.000 1.088 108 F CA 1.843 59.822 58.000 -0.035 0.000 1.358 108 F CB -0.418 38.569 39.000 -0.021 0.000 1.040 108 F HN 0.193 nan 8.300 nan 0.000 0.505 109 D N 0.687 121.163 120.400 0.126 0.000 2.092 109 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 109 D C 2.222 178.537 176.300 0.025 0.000 0.994 109 D CA 1.477 55.514 54.000 0.062 0.000 0.828 109 D CB -0.262 40.592 40.800 0.089 0.000 0.963 109 D HN 0.248 nan 8.370 nan 0.000 0.450 110 I N 0.024 120.594 120.570 -0.000 0.000 2.208 110 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 110 I C 2.632 178.726 176.117 -0.039 0.000 1.097 110 I CA 0.822 62.106 61.300 -0.027 0.000 1.363 110 I CB -0.233 37.734 38.000 -0.056 0.000 1.051 110 I HN 0.149 nan 8.210 nan 0.000 0.413 111 M N 0.377 119.941 119.600 -0.060 0.000 2.080 111 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 111 M C 2.214 178.501 176.300 -0.021 0.000 1.068 111 M CA 2.358 57.619 55.300 -0.065 0.000 1.109 111 M CB -0.513 32.013 32.600 -0.123 0.000 1.342 111 M HN 0.313 nan 8.290 nan 0.000 0.405 112 G N 0.103 108.903 108.800 0.001 0.000 2.418 112 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 112 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 112 G C 1.524 176.413 174.900 -0.019 0.000 1.158 112 G CA 0.842 45.934 45.100 -0.014 0.000 0.771 112 G HN 0.440 nan 8.290 nan 0.000 0.545 113 K N 0.235 120.627 120.400 -0.013 0.000 2.057 113 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 113 K C 2.432 179.027 176.600 -0.009 0.000 1.049 113 K CA 1.386 57.669 56.287 -0.007 0.000 0.931 113 K CB -0.097 32.406 32.500 0.005 0.000 0.714 113 K HN 0.184 nan 8.250 nan 0.000 0.440 114 K N 1.633 122.024 120.400 -0.015 0.000 2.063 114 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 114 K C 1.471 178.063 176.600 -0.013 0.000 1.048 114 K CA 1.429 57.706 56.287 -0.017 0.000 0.928 114 K CB -0.139 32.344 32.500 -0.028 0.000 0.713 114 K HN 0.094 nan 8.250 nan 0.000 0.442 115 L N 0.822 122.038 121.223 -0.011 0.000 2.611 115 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 115 L C 0.224 177.092 176.870 -0.004 0.000 1.137 115 L CA -0.087 54.750 54.840 -0.005 0.000 0.901 115 L CB -0.744 41.315 42.059 0.000 0.000 1.098 115 L HN 0.422 nan 8.230 nan 0.000 0.456 116 N N 1.934 120.629 118.700 -0.008 0.000 2.667 116 N HA -0.230 4.509 4.740 -0.000 0.000 0.263 116 N C -0.253 175.249 175.510 -0.013 0.000 1.038 116 N CA 0.368 53.413 53.050 -0.008 0.000 0.749 116 N CB -0.169 38.317 38.487 -0.003 0.000 0.892 116 N HN 0.445 nan 8.380 nan 0.000 0.546 117 Q N 0.315 120.099 119.800 -0.027 0.000 2.472 117 Q HA 0.522 4.862 4.340 -0.000 0.000 0.281 117 Q C -2.754 173.184 176.000 -0.104 0.000 0.997 117 Q CA -1.117 54.658 55.803 -0.047 0.000 0.828 117 Q CB 2.159 30.885 28.738 -0.021 0.000 1.443 117 Q HN 0.108 nan 8.270 nan 0.000 0.390 118 P HA 0.016 nan 4.420 nan 0.000 0.274 118 P C 0.328 177.423 177.300 -0.341 0.000 1.231 118 P CA -0.155 62.747 63.100 -0.330 0.000 0.790 118 P CB 0.989 32.309 31.700 -0.634 0.000 0.951 119 V N 2.255 121.938 119.914 -0.386 0.000 2.278 119 V HA -0.313 3.806 4.120 -0.000 0.000 0.251 119 V C 2.426 178.551 176.094 0.050 0.000 1.062 119 V CA 2.661 64.821 62.300 -0.232 0.000 1.038 119 V CB -2.026 29.471 31.823 -0.543 0.000 0.646 119 V HN 0.618 nan 8.190 nan 0.000 0.447 120 Y N 1.014 121.587 120.300 0.454 0.000 2.365 120 Y HA -0.239 4.311 4.550 -0.000 0.000 0.287 120 Y C 2.268 178.293 175.900 0.209 0.000 1.162 120 Y CA 1.551 59.841 58.100 0.317 0.000 1.260 120 Y CB -1.163 37.480 38.460 0.304 0.000 0.976 120 Y HN 0.322 nan 8.280 nan 0.000 0.548 121 Q N 0.597 120.535 119.800 0.230 0.000 2.297 121 Q HA 0.003 4.343 4.340 -0.000 0.000 0.204 121 Q C 1.401 177.511 176.000 0.184 0.000 0.962 121 Q CA 1.067 57.009 55.803 0.232 0.000 0.879 121 Q CB -0.160 28.633 28.738 0.091 0.000 0.947 121 Q HN 0.527 nan 8.270 nan 0.000 0.462 122 L N 0.468 121.797 121.223 0.177 0.000 2.567 122 L HA 0.159 4.499 4.340 -0.000 0.000 0.225 122 L C 1.197 178.217 176.870 0.250 0.000 1.119 122 L CA 0.667 55.631 54.840 0.206 0.000 0.871 122 L CB -0.610 41.605 42.059 0.259 0.000 1.036 122 L HN 0.421 nan 8.230 nan 0.000 0.459 123 I N -4.146 116.563 120.570 0.232 0.000 3.491 123 I HA 0.631 4.801 4.170 -0.000 0.000 0.332 123 I C 0.802 177.046 176.117 0.212 0.000 1.565 123 I CA 0.124 61.554 61.300 0.217 0.000 1.050 123 I CB 0.514 38.593 38.000 0.133 0.000 1.348 123 I HN 0.099 nan 8.210 nan 0.000 0.506 124 G N 0.323 109.250 108.800 0.212 0.000 2.367 124 G HA2 0.185 4.145 3.960 -0.000 0.000 0.181 124 G HA3 0.185 4.145 3.960 -0.000 0.000 0.181 124 G C 0.641 175.661 174.900 0.200 0.000 1.000 124 G CA -0.165 45.051 45.100 0.193 0.000 0.693 124 G HN 1.479 nan 8.290 nan 0.000 0.480 125 G N -0.466 108.487 108.800 0.255 0.000 2.728 125 G HA2 0.143 4.103 3.960 -0.000 0.000 0.294 125 G HA3 0.143 4.103 3.960 -0.000 0.000 0.294 125 G C -0.253 174.794 174.900 0.246 0.000 1.342 125 G CA 0.436 45.702 45.100 0.277 0.000 0.866 125 G HN 1.139 nan 8.290 nan 0.000 0.534 126 R N -0.211 120.360 120.500 0.118 0.000 2.308 126 R HA 0.566 4.906 4.340 -0.000 0.000 0.305 126 R C 0.559 176.843 176.300 -0.027 0.000 1.053 126 R CA -0.287 55.728 56.100 -0.142 0.000 0.957 126 R CB 0.444 30.541 30.300 -0.339 0.000 1.022 126 R HN 0.777 nan 8.270 nan 0.000 0.461 127 Y N 3.149 123.371 120.300 -0.132 0.000 2.664 127 Y HA 0.222 4.772 4.550 -0.000 0.000 0.278 127 Y C 0.069 175.751 175.900 -0.363 0.000 1.130 127 Y CA 0.228 58.186 58.100 -0.237 0.000 1.260 127 Y CB 0.539 38.820 38.460 -0.298 0.000 1.369 127 Y HN 0.568 nan 8.280 nan 0.000 0.499 128 H N 0.955 119.959 119.070 -0.110 0.000 2.483 128 H HA 0.212 4.768 4.556 -0.000 0.000 0.338 128 H C 0.379 175.579 175.328 -0.213 0.000 1.152 128 H CA -0.098 55.743 56.048 -0.344 0.000 1.264 128 H CB 1.836 31.148 29.762 -0.751 0.000 1.510 128 H HN 0.281 nan 8.280 nan 0.000 0.530 129 E N 0.967 121.093 120.200 -0.123 0.000 2.127 129 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 129 E C 0.294 176.948 176.600 0.090 0.000 0.964 129 E CA 0.691 57.072 56.400 -0.031 0.000 0.832 129 E CB 0.799 30.438 29.700 -0.103 0.000 0.790 129 E HN 0.802 nan 8.360 nan 0.000 0.465 130 E N -1.516 118.624 120.200 -0.101 0.000 2.429 130 E HA 0.479 4.829 4.350 -0.000 0.000 0.280 130 E C -1.267 175.147 176.600 -0.310 0.000 1.068 130 E CA -0.702 55.690 56.400 -0.013 0.000 0.837 130 E CB 1.010 30.730 29.700 0.034 0.000 1.357 130 E HN -0.175 nan 8.360 nan 0.000 0.455 131 F N 0.395 120.314 119.950 -0.053 0.000 2.576 131 F HA 0.508 5.035 4.527 -0.000 0.000 0.313 131 F C -2.344 173.492 175.800 0.059 0.000 1.078 131 F CA -1.936 56.014 58.000 -0.083 0.000 0.921 131 F CB 2.520 41.407 39.000 -0.189 0.000 1.232 131 F HN 0.262 nan 8.300 nan 0.000 0.459 132 P HA 0.240 nan 4.420 nan 0.000 0.276 132 P C -1.042 176.250 177.300 -0.013 0.000 1.244 132 P CA -0.251 62.794 63.100 -0.093 0.000 0.801 132 P CB 1.784 33.410 31.700 -0.123 0.000 1.006 133 V N 1.625 121.481 119.914 -0.096 0.000 2.435 133 V HA 0.389 4.509 4.120 -0.000 0.000 0.290 133 V C 0.854 176.993 176.094 0.074 0.000 1.030 133 V CA -0.257 62.086 62.300 0.073 0.000 0.881 133 V CB 1.377 33.303 31.823 0.170 0.000 0.983 133 V HN 0.752 nan 8.190 nan 0.000 0.445 134 T N 1.525 116.095 114.554 0.028 0.000 2.824 134 T HA 0.476 4.826 4.350 -0.000 0.000 0.280 134 T C -0.563 174.010 174.700 -0.212 0.000 0.995 134 T CA -0.552 61.481 62.100 -0.112 0.000 1.009 134 T CB 0.953 69.751 68.868 -0.117 0.000 0.955 134 T HN 0.745 nan 8.240 nan 0.000 0.452 135 H N 3.242 121.912 119.070 -0.667 0.000 2.668 135 H HA 0.480 5.036 4.556 -0.000 0.000 0.303 135 H C 0.218 175.388 175.328 -0.264 0.000 1.074 135 H CA -0.415 55.227 56.048 -0.676 0.000 1.406 135 H CB 0.583 29.609 29.762 -1.227 0.000 1.442 135 H HN 0.703 nan 8.280 nan 0.000 0.482 136 V N 5.112 124.636 119.914 -0.649 0.000 2.432 136 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 136 V C -0.262 175.573 176.094 -0.432 0.000 1.046 136 V CA -0.687 61.392 62.300 -0.369 0.000 0.945 136 V CB 0.435 32.168 31.823 -0.150 0.000 0.992 136 V HN 0.623 nan 8.190 nan 0.000 0.471 137 L N 5.365 126.472 121.223 -0.195 0.000 2.255 137 L HA 0.423 4.763 4.340 -0.000 0.000 0.289 137 L C 0.874 177.679 176.870 -0.108 0.000 1.046 137 L CA 0.050 54.828 54.840 -0.104 0.000 0.816 137 L CB 1.118 43.166 42.059 -0.019 0.000 1.197 137 L HN 0.767 nan 8.230 nan 0.000 0.427 138 S N 3.214 118.851 115.700 -0.106 0.000 2.576 138 S HA 0.257 4.727 4.470 -0.000 0.000 0.272 138 S C 0.508 175.011 174.600 -0.162 0.000 1.352 138 S CA -0.511 57.573 58.200 -0.193 0.000 1.021 138 S CB 0.566 63.656 63.200 -0.184 0.000 0.887 138 S HN 0.361 nan 8.310 nan 0.000 0.542 139 I N 2.519 122.965 120.570 -0.207 0.000 2.845 139 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 139 I C 0.636 176.688 176.117 -0.108 0.000 1.202 139 I CA 0.203 61.412 61.300 -0.152 0.000 1.406 139 I CB -0.681 37.217 38.000 -0.171 0.000 1.383 139 I HN 0.652 nan 8.210 nan 0.000 0.549 140 A N 5.639 128.411 122.820 -0.079 0.000 2.525 140 A HA 0.576 4.896 4.320 -0.000 0.000 0.291 140 A C -1.152 176.405 177.584 -0.045 0.000 1.268 140 A CA -0.773 51.230 52.037 -0.057 0.000 0.712 140 A CB 0.838 19.810 19.000 -0.047 0.000 1.320 140 A HN 0.531 nan 8.150 nan 0.000 0.456 141 D N 0.526 120.904 120.400 -0.036 0.000 2.339 141 D HA 0.413 5.053 4.640 -0.000 0.000 0.245 141 D C -1.728 174.554 176.300 -0.031 0.000 1.115 141 D CA -0.978 53.004 54.000 -0.029 0.000 0.917 141 D CB 0.711 41.497 40.800 -0.024 0.000 1.192 141 D HN 0.124 nan 8.370 nan 0.000 0.428 142 P HA -0.225 nan 4.420 nan 0.000 0.219 142 P C 0.872 178.151 177.300 -0.035 0.000 1.153 142 P CA 1.322 64.404 63.100 -0.028 0.000 0.865 142 P CB 0.313 32.001 31.700 -0.020 0.000 0.788 143 E N -2.096 118.085 120.200 -0.031 0.000 2.340 143 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 143 E C 1.619 178.197 176.600 -0.036 0.000 0.996 143 E CA 0.275 56.654 56.400 -0.034 0.000 0.869 143 E CB -0.644 29.040 29.700 -0.027 0.000 0.835 143 E HN 0.259 nan 8.360 nan 0.000 0.493 144 N N -0.006 118.674 118.700 -0.033 0.000 2.331 144 N HA -0.021 4.719 4.740 -0.000 0.000 0.180 144 N C 1.697 177.185 175.510 -0.036 0.000 1.019 144 N CA 0.756 53.788 53.050 -0.030 0.000 0.881 144 N CB 0.083 38.554 38.487 -0.026 0.000 0.972 144 N HN 0.256 nan 8.380 nan 0.000 0.435 145 M N 0.030 119.602 119.600 -0.047 0.000 2.357 145 M HA 0.109 4.589 4.480 -0.000 0.000 0.266 145 M C 2.250 178.496 176.300 -0.089 0.000 1.095 145 M CA 0.494 55.759 55.300 -0.059 0.000 1.156 145 M CB -0.045 32.517 32.600 -0.063 0.000 1.365 145 M HN 0.023 nan 8.290 nan 0.000 0.447 146 A N 0.375 123.142 122.820 -0.088 0.000 1.972 146 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 146 A C 1.963 179.480 177.584 -0.112 0.000 1.169 146 A CA 1.965 53.935 52.037 -0.111 0.000 0.635 146 A CB -0.666 18.285 19.000 -0.082 0.000 0.810 146 A HN 0.568 nan 8.150 nan 0.000 0.446 147 E N -0.430 119.724 120.200 -0.076 0.000 2.028 147 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 147 E C 2.006 178.572 176.600 -0.058 0.000 0.984 147 E CA 0.970 57.334 56.400 -0.060 0.000 0.800 147 E CB -0.228 29.450 29.700 -0.037 0.000 0.758 147 E HN 0.697 nan 8.360 nan 0.000 0.448 148 E N -0.252 119.924 120.200 -0.041 0.000 2.219 148 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 148 E C 1.686 178.275 176.600 -0.019 0.000 0.998 148 E CA 0.938 57.335 56.400 -0.004 0.000 0.818 148 E CB -0.047 29.680 29.700 0.044 0.000 0.741 148 E HN 0.346 nan 8.360 nan 0.000 0.477 149 A N 0.681 123.416 122.820 -0.142 0.000 1.975 149 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 149 A C 2.315 179.738 177.584 -0.268 0.000 1.170 149 A CA 1.086 52.877 52.037 -0.411 0.000 0.656 149 A CB -0.381 18.158 19.000 -0.768 0.000 0.821 149 A HN 0.358 nan 8.150 nan 0.000 0.449 150 A N -0.057 122.667 122.820 -0.161 0.000 1.940 150 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 150 A C 2.423 179.998 177.584 -0.016 0.000 1.176 150 A CA 2.151 54.139 52.037 -0.083 0.000 0.631 150 A CB -0.787 18.175 19.000 -0.064 0.000 0.814 150 A HN 0.448 nan 8.150 nan 0.000 0.446 151 S N -0.067 115.628 115.700 -0.008 0.000 2.335 151 S HA -0.145 4.325 4.470 -0.000 0.000 0.216 151 S C 2.007 176.643 174.600 0.061 0.000 1.032 151 S CA 1.726 59.935 58.200 0.016 0.000 1.000 151 S CB -0.383 62.816 63.200 -0.001 0.000 0.928 151 S HN 0.501 nan 8.310 nan 0.000 0.434 152 M N 1.147 120.793 119.600 0.078 0.000 2.267 152 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 152 M C 1.919 178.436 176.300 0.362 0.000 1.063 152 M CA 0.910 56.316 55.300 0.177 0.000 1.090 152 M CB -1.429 31.137 32.600 -0.058 0.000 1.392 152 M HN 0.227 nan 8.290 nan 0.000 0.422 153 I N 0.969 121.738 120.570 0.331 0.000 2.151 153 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 153 I C 1.818 178.033 176.117 0.163 0.000 1.080 153 I CA 1.439 62.912 61.300 0.287 0.000 1.339 153 I CB -1.155 36.931 38.000 0.143 0.000 1.039 153 I HN 0.511 nan 8.210 nan 0.000 0.409 154 Q N 1.347 121.210 119.800 0.106 0.000 2.642 154 Q HA 0.086 4.426 4.340 -0.000 0.000 0.319 154 Q C 0.223 176.252 176.000 0.049 0.000 1.030 154 Q CA 0.138 55.978 55.803 0.062 0.000 0.943 154 Q CB -0.067 28.695 28.738 0.040 0.000 1.323 154 Q HN 0.413 nan 8.270 nan 0.000 0.419 155 K N -0.576 119.853 120.400 0.049 0.000 2.614 155 K HA 0.218 4.538 4.320 -0.000 0.000 0.190 155 K C 0.556 177.081 176.600 -0.125 0.000 1.255 155 K CA 0.187 56.467 56.287 -0.012 0.000 1.099 155 K CB 1.406 33.925 32.500 0.031 0.000 1.023 155 K HN 0.423 nan 8.250 nan 0.000 0.576 156 G N 0.971 109.725 108.800 -0.077 0.000 2.279 156 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.223 156 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.223 156 G C -0.068 174.724 174.900 -0.180 0.000 1.015 156 G CA -0.413 44.605 45.100 -0.136 0.000 0.621 156 G HN 0.232 nan 8.290 nan 0.000 0.506 157 Y N 1.168 121.395 120.300 -0.121 0.000 2.944 157 Y HA 0.206 4.756 4.550 -0.000 0.000 0.340 157 Y C 1.768 177.576 175.900 -0.153 0.000 1.275 157 Y CA 1.465 59.424 58.100 -0.236 0.000 1.590 157 Y CB 0.617 38.844 38.460 -0.389 0.000 1.218 157 Y HN 0.298 nan 8.280 nan 0.000 0.576 158 Q N 1.563 121.339 119.800 -0.039 0.000 2.350 158 Q HA 0.117 4.457 4.340 -0.000 0.000 0.225 158 Q C -0.483 175.526 176.000 0.016 0.000 0.878 158 Q CA 0.268 56.072 55.803 0.002 0.000 0.935 158 Q CB 0.724 29.433 28.738 -0.048 0.000 1.099 158 Q HN 0.615 nan 8.270 nan 0.000 0.527 159 S N -1.301 114.327 115.700 -0.119 0.000 2.541 159 S HA 0.749 5.219 4.470 -0.000 0.000 0.271 159 S C -0.987 173.413 174.600 -0.334 0.000 1.133 159 S CA -0.857 57.292 58.200 -0.085 0.000 0.876 159 S CB 0.977 64.126 63.200 -0.085 0.000 1.105 159 S HN 0.017 nan 8.310 nan 0.000 0.470 160 F N 0.839 120.734 119.950 -0.091 0.000 2.593 160 F HA 0.705 5.232 4.527 -0.000 0.000 0.320 160 F C 0.091 175.793 175.800 -0.163 0.000 1.060 160 F CA -0.804 57.128 58.000 -0.113 0.000 0.940 160 F CB 2.214 41.160 39.000 -0.089 0.000 1.268 160 F HN 0.749 nan 8.300 nan 0.000 0.475 161 K N 2.639 123.052 120.400 0.023 0.000 2.502 161 K HA 0.557 4.877 4.320 -0.000 0.000 0.254 161 K C -1.490 175.079 176.600 -0.052 0.000 0.947 161 K CA -0.427 55.820 56.287 -0.066 0.000 0.834 161 K CB 1.008 33.458 32.500 -0.083 0.000 1.112 161 K HN 0.709 nan 8.250 nan 0.000 0.427 162 M N 4.240 123.799 119.600 -0.069 0.000 2.108 162 M HA 0.261 4.741 4.480 -0.000 0.000 0.354 162 M C -0.270 175.969 176.300 -0.101 0.000 1.229 162 M CA -0.611 54.644 55.300 -0.076 0.000 1.081 162 M CB 1.223 33.781 32.600 -0.070 0.000 1.606 162 M HN 0.235 nan 8.290 nan 0.000 0.467 163 K N 3.889 124.216 120.400 -0.121 0.000 2.276 163 K HA 0.452 4.772 4.320 -0.000 0.000 0.285 163 K C -0.284 176.224 176.600 -0.152 0.000 1.062 163 K CA -0.131 56.060 56.287 -0.161 0.000 0.918 163 K CB 0.898 33.263 32.500 -0.224 0.000 1.055 163 K HN 0.643 nan 8.250 nan 0.000 0.477 164 V N -1.469 118.349 119.914 -0.160 0.000 3.204 164 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 164 V C 0.562 176.559 176.094 -0.161 0.000 1.324 164 V CA -0.158 62.071 62.300 -0.118 0.000 1.042 164 V CB 1.292 33.087 31.823 -0.047 0.000 1.167 164 V HN 0.799 nan 8.190 nan 0.000 0.478 165 G N -0.573 108.179 108.800 -0.080 0.000 2.155 165 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.135 165 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.135 165 G C 0.459 175.367 174.900 0.013 0.000 1.023 165 G CA 0.920 45.965 45.100 -0.091 0.000 0.688 165 G HN 1.846 nan 8.290 nan 0.000 0.499 166 T N -3.140 111.442 114.554 0.046 0.000 3.046 166 T HA 0.343 4.693 4.350 -0.000 0.000 0.242 166 T C 0.628 175.375 174.700 0.079 0.000 1.018 166 T CA 1.194 63.315 62.100 0.035 0.000 1.131 166 T CB 0.473 69.342 68.868 0.001 0.000 0.904 166 T HN 0.919 nan 8.240 nan 0.000 0.459 167 N N -0.053 118.715 118.700 0.112 0.000 2.648 167 N HA 0.279 5.018 4.740 -0.000 0.000 0.272 167 N C 0.455 176.035 175.510 0.118 0.000 1.118 167 N CA -0.002 53.109 53.050 0.102 0.000 0.973 167 N CB 1.792 40.308 38.487 0.048 0.000 1.565 167 N HN -0.036 nan 8.380 nan 0.000 0.542 168 V N 4.453 124.420 119.914 0.089 0.000 2.252 168 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 168 V C 2.053 178.124 176.094 -0.038 0.000 1.071 168 V CA 2.531 64.798 62.300 -0.055 0.000 1.050 168 V CB -0.369 31.264 31.823 -0.317 0.000 0.654 168 V HN 0.826 nan 8.190 nan 0.000 0.448 169 K N -1.002 119.377 120.400 -0.035 0.000 2.209 169 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 169 K C 2.048 178.650 176.600 0.002 0.000 1.048 169 K CA 1.967 58.239 56.287 -0.025 0.000 0.940 169 K CB -0.078 32.407 32.500 -0.024 0.000 0.729 169 K HN 0.748 nan 8.250 nan 0.000 0.451 170 E N 0.021 120.234 120.200 0.022 0.000 2.075 170 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 170 E C 1.573 178.199 176.600 0.044 0.000 0.969 170 E CA 0.692 57.108 56.400 0.026 0.000 0.815 170 E CB 0.063 29.777 29.700 0.023 0.000 0.776 170 E HN 0.264 nan 8.360 nan 0.000 0.457 171 D N 1.067 121.520 120.400 0.089 0.000 2.133 171 D HA -0.169 4.470 4.640 -0.000 0.000 0.195 171 D C 2.276 178.637 176.300 0.102 0.000 0.997 171 D CA 1.758 55.831 54.000 0.123 0.000 0.840 171 D CB -0.326 40.638 40.800 0.274 0.000 0.947 171 D HN 0.181 nan 8.370 nan 0.000 0.452 172 V N -0.134 119.833 119.914 0.088 0.000 2.343 172 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 172 V C 2.357 178.470 176.094 0.032 0.000 1.051 172 V CA 1.637 63.971 62.300 0.056 0.000 1.036 172 V CB -0.710 31.125 31.823 0.020 0.000 0.654 172 V HN -0.090 nan 8.190 nan 0.000 0.451 173 K N 1.024 121.438 120.400 0.023 0.000 2.074 173 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 173 K C 2.314 178.915 176.600 0.002 0.000 1.048 173 K CA 2.036 58.329 56.287 0.011 0.000 0.926 173 K CB -0.442 32.061 32.500 0.006 0.000 0.713 173 K HN 0.597 nan 8.250 nan 0.000 0.444 174 R N -0.244 120.257 120.500 0.002 0.000 2.115 174 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 174 R C 2.105 178.389 176.300 -0.027 0.000 1.100 174 R CA 1.073 57.163 56.100 -0.016 0.000 0.980 174 R CB -0.314 29.975 30.300 -0.018 0.000 0.875 174 R HN 0.138 nan 8.270 nan 0.000 0.445 175 I N 1.740 122.302 120.570 -0.014 0.000 2.072 175 I HA -0.230 3.940 4.170 -0.000 0.000 0.235 175 I C 1.918 178.005 176.117 -0.052 0.000 1.058 175 I CA 1.672 62.952 61.300 -0.032 0.000 1.320 175 I CB -1.324 36.666 38.000 -0.016 0.000 1.047 175 I HN 0.110 nan 8.210 nan 0.000 0.397 176 E N 1.930 122.107 120.200 -0.039 0.000 2.267 176 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 176 E C 2.121 178.700 176.600 -0.035 0.000 0.998 176 E CA 1.224 57.601 56.400 -0.038 0.000 0.830 176 E CB -0.734 28.974 29.700 0.014 0.000 0.751 176 E HN 0.503 nan 8.360 nan 0.000 0.491 177 A N 1.291 124.090 122.820 -0.035 0.000 1.851 177 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 177 A C 2.533 180.078 177.584 -0.066 0.000 1.195 177 A CA 2.447 54.459 52.037 -0.041 0.000 0.622 177 A CB -1.151 17.826 19.000 -0.039 0.000 0.831 177 A HN 0.346 nan 8.150 nan 0.000 0.444 178 V N -1.408 118.454 119.914 -0.088 0.000 2.548 178 V HA -0.102 4.017 4.120 -0.000 0.000 0.249 178 V C 2.369 178.385 176.094 -0.130 0.000 1.055 178 V CA 2.418 64.638 62.300 -0.132 0.000 1.065 178 V CB -0.899 30.819 31.823 -0.174 0.000 0.681 178 V HN 0.520 nan 8.190 nan 0.000 0.462 179 R N 1.264 121.704 120.500 -0.101 0.000 2.073 179 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 179 R C 2.348 178.606 176.300 -0.069 0.000 1.134 179 R CA 2.278 58.324 56.100 -0.089 0.000 0.952 179 R CB -1.137 29.110 30.300 -0.089 0.000 0.850 179 R HN 0.669 nan 8.270 nan 0.000 0.433 180 E N 0.402 120.569 120.200 -0.055 0.000 2.077 180 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 180 E C 1.895 178.467 176.600 -0.046 0.000 0.989 180 E CA 1.304 57.682 56.400 -0.037 0.000 0.800 180 E CB -0.200 29.486 29.700 -0.023 0.000 0.746 180 E HN 0.189 nan 8.360 nan 0.000 0.452 181 R N 0.708 121.169 120.500 -0.064 0.000 2.127 181 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 181 R C 2.096 178.346 176.300 -0.083 0.000 1.134 181 R CA 1.728 57.783 56.100 -0.074 0.000 0.975 181 R CB -0.511 29.732 30.300 -0.095 0.000 0.865 181 R HN 0.222 nan 8.270 nan 0.000 0.447 182 V N -3.095 116.761 119.914 -0.098 0.000 3.427 182 V HA 0.546 4.666 4.120 -0.000 0.000 0.305 182 V C 0.796 176.864 176.094 -0.042 0.000 1.412 182 V CA 0.072 62.319 62.300 -0.088 0.000 1.086 182 V CB -0.359 31.373 31.823 -0.152 0.000 0.964 182 V HN 0.496 nan 8.190 nan 0.000 0.439 183 G N 1.911 110.691 108.800 -0.034 0.000 2.693 183 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.226 183 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.226 183 G C -0.185 174.706 174.900 -0.015 0.000 1.354 183 G CA 0.140 45.230 45.100 -0.016 0.000 0.873 183 G HN 0.528 nan 8.290 nan 0.000 0.562 184 N N 0.942 119.640 118.700 -0.004 0.000 2.401 184 N HA 0.236 4.976 4.740 -0.000 0.000 0.264 184 N C -0.133 175.381 175.510 0.007 0.000 1.238 184 N CA 0.073 53.121 53.050 -0.003 0.000 0.889 184 N CB 0.932 39.419 38.487 0.000 0.000 1.196 184 N HN 0.514 nan 8.380 nan 0.000 0.511 185 D N -0.117 120.291 120.400 0.014 0.000 2.502 185 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 185 D C 0.271 176.592 176.300 0.036 0.000 1.137 185 D CA -0.001 54.013 54.000 0.024 0.000 0.827 185 D CB 1.688 42.503 40.800 0.026 0.000 1.141 185 D HN 0.089 nan 8.370 nan 0.000 0.517 186 I N 2.332 122.929 120.570 0.044 0.000 2.352 186 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 186 I C 0.827 176.982 176.117 0.062 0.000 1.036 186 I CA -0.828 60.523 61.300 0.086 0.000 1.336 186 I CB 0.501 38.572 38.000 0.120 0.000 1.407 186 I HN -0.183 nan 8.210 nan 0.000 0.497 187 A N 8.348 131.200 122.820 0.054 0.000 2.477 187 A HA 0.550 4.870 4.320 -0.000 0.000 0.246 187 A C -0.021 177.558 177.584 -0.009 0.000 1.078 187 A CA 0.029 52.062 52.037 -0.007 0.000 0.770 187 A CB 0.137 19.113 19.000 -0.040 0.000 1.011 187 A HN 0.666 nan 8.150 nan 0.000 0.494 188 I N 2.645 123.161 120.570 -0.089 0.000 2.499 188 I HA 0.436 4.605 4.170 -0.000 0.000 0.288 188 I C 0.055 176.018 176.117 -0.257 0.000 1.048 188 I CA -0.577 60.656 61.300 -0.111 0.000 1.062 188 I CB 2.006 39.958 38.000 -0.080 0.000 1.238 188 I HN 0.916 nan 8.210 nan 0.000 0.426 189 R N 5.347 125.646 120.500 -0.336 0.000 2.670 189 R HA 0.837 5.177 4.340 -0.000 0.000 0.289 189 R C -1.714 174.413 176.300 -0.289 0.000 0.965 189 R CA -0.772 55.003 56.100 -0.541 0.000 0.899 189 R CB 2.647 32.329 30.300 -1.030 0.000 1.173 189 R HN 0.390 nan 8.270 nan 0.000 0.456 190 V N 1.677 121.464 119.914 -0.212 0.000 2.555 190 V HA 0.427 4.547 4.120 -0.000 0.000 0.302 190 V C -1.488 174.551 176.094 -0.091 0.000 1.038 190 V CA -0.545 61.684 62.300 -0.119 0.000 0.887 190 V CB 1.795 33.575 31.823 -0.070 0.000 0.991 190 V HN 0.937 nan 8.190 nan 0.000 0.434 191 D N 3.960 124.295 120.400 -0.108 0.000 2.425 191 D HA 0.296 4.936 4.640 -0.000 0.000 0.240 191 D C 0.150 176.322 176.300 -0.213 0.000 1.080 191 D CA 0.027 53.961 54.000 -0.109 0.000 0.836 191 D CB 2.122 42.891 40.800 -0.052 0.000 1.125 191 D HN 0.520 nan 8.370 nan 0.000 0.525 192 V N 3.340 123.060 119.914 -0.322 0.000 3.621 192 V HA 0.177 4.297 4.120 -0.000 0.000 0.285 192 V C 0.192 176.105 176.094 -0.302 0.000 1.346 192 V CA -0.026 61.999 62.300 -0.458 0.000 1.104 192 V CB -0.994 30.210 31.823 -1.031 0.000 0.913 192 V HN 0.707 nan 8.190 nan 0.000 0.432 193 N N 2.257 120.852 118.700 -0.175 0.000 2.689 193 N HA -0.286 4.454 4.740 -0.000 0.000 0.263 193 N C 0.656 176.176 175.510 0.016 0.000 0.987 193 N CA 1.417 54.440 53.050 -0.045 0.000 0.782 193 N CB -1.038 37.373 38.487 -0.127 0.000 0.903 193 N HN 0.931 nan 8.380 nan 0.000 0.547 194 Q N -3.993 115.785 119.800 -0.037 0.000 2.305 194 Q HA -0.271 4.069 4.340 -0.000 0.000 0.203 194 Q C 1.513 177.505 176.000 -0.013 0.000 0.663 194 Q CA 1.470 57.273 55.803 0.000 0.000 1.389 194 Q CB -1.805 26.974 28.738 0.070 0.000 1.566 194 Q HN 0.641 nan 8.270 nan 0.000 0.755 195 G N 0.166 108.906 108.800 -0.100 0.000 2.507 195 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 195 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 195 G C 0.547 175.523 174.900 0.126 0.000 1.119 195 G CA 1.165 46.234 45.100 -0.052 0.000 0.751 195 G HN 0.439 nan 8.290 nan 0.000 0.574 196 W N 0.061 121.379 121.300 0.029 0.000 3.256 196 W HA 0.351 5.010 4.660 -0.000 0.000 0.269 196 W C 1.576 178.114 176.519 0.030 0.000 1.310 196 W CA -0.140 57.221 57.345 0.026 0.000 1.673 196 W CB -0.063 29.413 29.460 0.027 0.000 1.115 196 W HN 0.190 nan 8.180 nan 0.000 0.686 197 K N -0.602 119.925 120.400 0.212 0.000 9.127 197 K HA -0.342 3.978 4.320 -0.000 0.000 0.501 197 K C 0.298 176.976 176.600 0.129 0.000 0.371 197 K CA 2.426 58.796 56.287 0.139 0.000 1.951 197 K CB -1.587 30.982 32.500 0.114 0.000 0.721 197 K HN 0.427 nan 8.250 nan 0.000 1.023 198 N N -1.825 116.962 118.700 0.144 0.000 2.701 198 N HA 0.475 5.215 4.740 -0.000 0.000 0.290 198 N C 0.455 176.052 175.510 0.145 0.000 1.338 198 N CA -0.175 52.946 53.050 0.119 0.000 0.799 198 N CB 1.247 39.782 38.487 0.081 0.000 1.491 198 N HN 0.005 nan 8.380 nan 0.000 0.540 199 S N -1.552 114.229 115.700 0.135 0.000 2.428 199 S HA -0.031 4.439 4.470 -0.000 0.000 0.230 199 S C 1.761 176.437 174.600 0.126 0.000 1.014 199 S CA 0.640 58.939 58.200 0.166 0.000 0.957 199 S CB -0.934 62.424 63.200 0.263 0.000 0.784 199 S HN 0.734 nan 8.310 nan 0.000 0.499 200 A N 3.374 126.248 122.820 0.090 0.000 1.845 200 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 200 A C 2.186 179.772 177.584 0.004 0.000 1.195 200 A CA 1.704 53.771 52.037 0.049 0.000 0.616 200 A CB -1.019 18.000 19.000 0.032 0.000 0.832 200 A HN 0.559 nan 8.150 nan 0.000 0.443 201 N N -0.122 118.579 118.700 0.002 0.000 2.104 201 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 201 N C 1.771 177.164 175.510 -0.195 0.000 1.024 201 N CA 1.978 54.977 53.050 -0.084 0.000 0.853 201 N CB -1.073 37.401 38.487 -0.021 0.000 1.008 201 N HN 0.507 nan 8.380 nan 0.000 0.424 202 T N 2.074 116.624 114.554 -0.006 0.000 2.652 202 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 202 T C 2.142 176.802 174.700 -0.066 0.000 1.039 202 T CA 0.779 62.921 62.100 0.069 0.000 1.153 202 T CB -0.348 68.724 68.868 0.339 0.000 0.863 202 T HN 0.141 nan 8.240 nan 0.000 0.428 203 L N 0.629 121.846 121.223 -0.010 0.000 2.131 203 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 203 L C 2.870 179.692 176.870 -0.080 0.000 1.092 203 L CA 1.107 55.934 54.840 -0.022 0.000 0.759 203 L CB -0.907 41.156 42.059 0.006 0.000 0.903 203 L HN 0.312 nan 8.230 nan 0.000 0.435 204 T N -0.258 114.220 114.554 -0.125 0.000 2.737 204 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 204 T C 2.042 176.612 174.700 -0.216 0.000 1.038 204 T CA 1.257 63.270 62.100 -0.145 0.000 1.144 204 T CB -0.193 68.586 68.868 -0.147 0.000 0.866 204 T HN 0.441 nan 8.240 nan 0.000 0.434 205 A N 1.461 124.040 122.820 -0.402 0.000 1.877 205 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 205 A C 2.297 179.720 177.584 -0.268 0.000 1.186 205 A CA 1.230 52.946 52.037 -0.536 0.000 0.620 205 A CB -0.928 17.233 19.000 -1.398 0.000 0.822 205 A HN 0.479 nan 8.150 nan 0.000 0.443 206 L N -0.148 120.971 121.223 -0.173 0.000 2.127 206 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 206 L C 2.796 179.665 176.870 -0.002 0.000 1.089 206 L CA 1.734 56.564 54.840 -0.016 0.000 0.757 206 L CB -0.608 41.475 42.059 0.040 0.000 0.899 206 L HN 0.601 nan 8.230 nan 0.000 0.434 207 R N -0.586 119.897 120.500 -0.027 0.000 2.189 207 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 207 R C 1.621 177.935 176.300 0.023 0.000 1.092 207 R CA 1.393 57.492 56.100 -0.003 0.000 0.989 207 R CB -0.527 29.761 30.300 -0.021 0.000 0.876 207 R HN 0.120 nan 8.270 nan 0.000 0.457 208 S N 0.563 116.269 115.700 0.011 0.000 2.605 208 S HA 0.263 4.733 4.470 -0.000 0.000 0.217 208 S C 1.002 175.685 174.600 0.138 0.000 0.958 208 S CA 0.046 58.283 58.200 0.062 0.000 0.919 208 S CB 0.258 63.463 63.200 0.007 0.000 0.780 208 S HN 0.277 nan 8.310 nan 0.000 0.507 209 L N 0.018 121.295 121.223 0.089 0.000 3.184 209 L HA 0.336 4.676 4.340 -0.000 0.000 0.283 209 L C 2.024 178.902 176.870 0.013 0.000 1.218 209 L CA -0.077 54.777 54.840 0.023 0.000 1.028 209 L CB 0.057 42.137 42.059 0.036 0.000 1.400 209 L HN 0.334 nan 8.230 nan 0.000 0.591 210 G N 0.288 109.154 108.800 0.111 0.000 2.422 210 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 210 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 210 G C 1.406 176.361 174.900 0.092 0.000 1.140 210 G CA 0.785 45.940 45.100 0.092 0.000 0.775 210 G HN 0.570 nan 8.290 nan 0.000 0.545 211 H N 0.049 119.123 119.070 0.006 0.000 2.548 211 H HA 0.212 4.768 4.556 -0.000 0.000 0.268 211 H C 1.943 177.273 175.328 0.003 0.000 0.975 211 H CA 0.026 56.076 56.048 0.004 0.000 1.195 211 H CB -0.455 29.307 29.762 -0.001 0.000 1.397 211 H HN 0.323 nan 8.280 nan 0.000 0.572 212 L N 0.454 121.368 121.223 -0.515 0.000 2.599 212 L HA -0.013 4.327 4.340 -0.000 0.000 0.230 212 L C 0.601 177.379 176.870 -0.153 0.000 1.141 212 L CA 0.201 54.824 54.840 -0.361 0.000 0.877 212 L CB -0.455 41.375 42.059 -0.382 0.000 1.009 212 L HN 0.244 nan 8.230 nan 0.000 0.447 213 N N 1.449 120.094 118.700 -0.092 0.000 2.708 213 N HA -0.190 4.550 4.740 -0.000 0.000 0.255 213 N C -0.518 174.962 175.510 -0.050 0.000 1.046 213 N CA 0.301 53.325 53.050 -0.044 0.000 0.715 213 N CB -0.630 37.838 38.487 -0.031 0.000 0.895 213 N HN 0.124 nan 8.380 nan 0.000 0.545 214 I N 1.410 121.952 120.570 -0.047 0.000 2.441 214 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 214 I C 1.733 177.822 176.117 -0.046 0.000 1.049 214 I CA -0.237 61.024 61.300 -0.064 0.000 1.381 214 I CB 0.803 38.777 38.000 -0.044 0.000 1.409 214 I HN 0.076 nan 8.210 nan 0.000 0.523 215 D N 4.544 124.862 120.400 -0.135 0.000 2.123 215 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 215 D C -0.433 175.967 176.300 0.166 0.000 0.992 215 D CA 1.987 55.937 54.000 -0.083 0.000 0.833 215 D CB 0.062 40.617 40.800 -0.408 0.000 0.954 215 D HN 0.597 nan 8.370 nan 0.000 0.455 216 W N -1.662 119.646 121.300 0.014 0.000 3.319 216 W HA 0.472 5.132 4.660 -0.000 0.000 0.300 216 W C -2.089 174.434 176.519 0.007 0.000 1.244 216 W CA -1.094 56.259 57.345 0.013 0.000 1.193 216 W CB -0.053 29.411 29.460 0.007 0.000 1.359 216 W HN -0.377 nan 8.180 nan 0.000 0.568 217 I N 2.531 123.296 120.570 0.326 0.000 2.336 217 I HA 0.304 4.473 4.170 -0.000 0.000 0.292 217 I C 0.079 176.325 176.117 0.215 0.000 0.991 217 I CA -0.785 60.632 61.300 0.194 0.000 1.227 217 I CB 1.596 39.693 38.000 0.162 0.000 1.366 217 I HN 0.522 nan 8.210 nan 0.000 0.466 218 E N 4.725 125.010 120.200 0.143 0.000 2.175 218 E HA 0.261 4.611 4.350 -0.000 0.000 0.278 218 E C -0.493 176.096 176.600 -0.018 0.000 0.969 218 E CA -0.854 55.609 56.400 0.105 0.000 0.796 218 E CB 0.837 30.632 29.700 0.158 0.000 1.104 218 E HN 0.433 nan 8.360 nan 0.000 0.395 219 Q N 3.868 123.665 119.800 -0.004 0.000 2.394 219 Q HA -0.167 4.173 4.340 -0.000 0.000 0.369 219 Q C -1.982 173.970 176.000 -0.080 0.000 1.312 219 Q CA 0.666 56.457 55.803 -0.019 0.000 1.155 219 Q CB -0.122 28.616 28.738 0.000 0.000 1.311 219 Q HN 0.467 nan 8.270 nan 0.000 0.315 220 P HA -0.053 nan 4.420 nan 0.000 0.224 220 P C 0.466 177.772 177.300 0.010 0.000 1.157 220 P CA 1.239 64.259 63.100 -0.134 0.000 0.799 220 P CB 0.144 31.885 31.700 0.067 0.000 0.809 221 V N -1.940 118.010 119.914 0.060 0.000 3.193 221 V HA 0.464 4.584 4.120 -0.000 0.000 0.320 221 V C 0.715 176.843 176.094 0.057 0.000 1.112 221 V CA -1.863 60.489 62.300 0.087 0.000 1.026 221 V CB 0.919 32.804 31.823 0.102 0.000 1.128 221 V HN -0.019 nan 8.190 nan 0.000 0.452 222 I N 0.136 120.743 120.570 0.061 0.000 2.710 222 I HA 0.427 4.597 4.170 -0.000 0.000 0.286 222 I C 1.672 177.812 176.117 0.039 0.000 1.181 222 I CA 0.382 61.710 61.300 0.046 0.000 1.430 222 I CB 0.340 38.366 38.000 0.043 0.000 1.367 222 I HN 0.929 nan 8.210 nan 0.000 0.577 223 A N 4.283 127.121 122.820 0.031 0.000 1.896 223 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 223 A C 1.762 179.362 177.584 0.026 0.000 1.206 223 A CA 2.429 54.482 52.037 0.026 0.000 0.647 223 A CB -0.869 18.142 19.000 0.018 0.000 0.828 223 A HN 0.933 nan 8.150 nan 0.000 0.455 224 D N -0.018 120.397 120.400 0.026 0.000 2.309 224 D HA -0.053 4.587 4.640 -0.000 0.000 0.212 224 D C 0.191 176.508 176.300 0.029 0.000 0.968 224 D CA 0.805 54.821 54.000 0.026 0.000 0.882 224 D CB -0.265 40.550 40.800 0.025 0.000 0.918 224 D HN 0.352 nan 8.370 nan 0.000 0.503 225 D N 0.381 120.801 120.400 0.033 0.000 2.558 225 D HA 0.111 4.751 4.640 -0.000 0.000 0.221 225 D C 1.358 177.682 176.300 0.041 0.000 1.143 225 D CA -0.165 53.857 54.000 0.037 0.000 1.010 225 D CB -0.074 40.752 40.800 0.043 0.000 1.068 225 D HN 0.131 nan 8.370 nan 0.000 0.511 226 I N 0.891 121.482 120.570 0.035 0.000 2.439 226 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 226 I C 1.777 177.920 176.117 0.044 0.000 1.139 226 I CA 0.490 61.811 61.300 0.035 0.000 1.438 226 I CB 0.190 38.206 38.000 0.026 0.000 1.085 226 I HN 0.198 nan 8.210 nan 0.000 0.427 227 D N 1.410 121.836 120.400 0.042 0.000 2.123 227 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 227 D C 2.261 178.608 176.300 0.078 0.000 0.992 227 D CA 1.683 55.713 54.000 0.050 0.000 0.833 227 D CB 0.063 40.882 40.800 0.031 0.000 0.954 227 D HN 0.353 nan 8.370 nan 0.000 0.455 228 A N 0.853 123.718 122.820 0.075 0.000 1.933 228 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 228 A C 2.131 179.794 177.584 0.132 0.000 1.175 228 A CA 1.389 53.492 52.037 0.110 0.000 0.628 228 A CB -0.443 18.612 19.000 0.091 0.000 0.814 228 A HN 0.095 nan 8.150 nan 0.000 0.444 229 M N 0.008 119.664 119.600 0.093 0.000 2.108 229 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 229 M C 2.250 178.595 176.300 0.074 0.000 1.066 229 M CA 1.641 56.988 55.300 0.079 0.000 1.107 229 M CB -0.665 31.967 32.600 0.053 0.000 1.356 229 M HN 0.415 nan 8.290 nan 0.000 0.406 230 A N -1.667 121.199 122.820 0.076 0.000 1.930 230 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 230 A C 2.269 179.904 177.584 0.085 0.000 1.175 230 A CA 1.872 53.949 52.037 0.067 0.000 0.627 230 A CB -1.229 17.809 19.000 0.063 0.000 0.815 230 A HN 0.721 nan 8.150 nan 0.000 0.443 231 H N -0.229 118.859 119.070 0.030 0.000 2.357 231 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 231 H C 1.961 177.311 175.328 0.036 0.000 1.082 231 H CA 1.775 57.841 56.048 0.030 0.000 1.342 231 H CB -0.043 29.737 29.762 0.030 0.000 1.389 231 H HN 0.472 nan 8.280 nan 0.000 0.511 232 I N 0.472 121.048 120.570 0.010 0.000 2.179 232 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 232 I C 2.917 179.006 176.117 -0.046 0.000 1.088 232 I CA 1.258 62.544 61.300 -0.024 0.000 1.357 232 I CB -0.317 37.729 38.000 0.075 0.000 1.051 232 I HN 0.163 nan 8.210 nan 0.000 0.409 233 R N 1.036 121.532 120.500 -0.008 0.000 2.159 233 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 233 R C 2.378 178.659 176.300 -0.031 0.000 1.131 233 R CA 1.738 57.836 56.100 -0.005 0.000 0.982 233 R CB -0.168 30.139 30.300 0.010 0.000 0.868 233 R HN 0.478 nan 8.270 nan 0.000 0.453 234 S N -0.534 115.125 115.700 -0.068 0.000 2.481 234 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 234 S C 1.155 175.697 174.600 -0.095 0.000 0.996 234 S CA 0.621 58.777 58.200 -0.074 0.000 0.942 234 S CB 0.199 63.352 63.200 -0.079 0.000 0.768 234 S HN 0.332 nan 8.310 nan 0.000 0.520 235 K N 0.634 120.957 120.400 -0.130 0.000 2.506 235 K HA 0.268 4.588 4.320 -0.000 0.000 0.204 235 K C -0.290 176.280 176.600 -0.050 0.000 1.045 235 K CA -0.034 56.191 56.287 -0.103 0.000 1.074 235 K CB 1.154 33.557 32.500 -0.162 0.000 0.842 235 K HN 0.296 nan 8.250 nan 0.000 0.514 236 T N 0.612 115.151 114.554 -0.025 0.000 2.900 236 T HA 0.135 4.485 4.350 -0.000 0.000 0.303 236 T C -1.099 173.612 174.700 0.017 0.000 1.142 236 T CA -0.672 61.431 62.100 0.005 0.000 1.007 236 T CB 1.518 70.401 68.868 0.025 0.000 1.156 236 T HN 0.201 nan 8.240 nan 0.000 0.490 237 D N 2.437 122.854 120.400 0.028 0.000 2.395 237 D HA 0.213 4.853 4.640 -0.000 0.000 0.213 237 D C 0.408 176.739 176.300 0.051 0.000 1.110 237 D CA -0.161 53.859 54.000 0.034 0.000 0.835 237 D CB -0.158 40.660 40.800 0.030 0.000 0.965 237 D HN 0.341 nan 8.370 nan 0.000 0.505 238 L N 1.084 122.345 121.223 0.063 0.000 2.331 238 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 238 L C -2.109 174.822 176.870 0.102 0.000 1.106 238 L CA -1.956 52.937 54.840 0.088 0.000 0.824 238 L CB 1.011 43.130 42.059 0.100 0.000 1.142 238 L HN -0.245 nan 8.230 nan 0.000 0.443 239 P HA 0.120 nan 4.420 nan 0.000 0.266 239 P C -0.999 176.385 177.300 0.139 0.000 1.195 239 P CA 0.126 63.301 63.100 0.125 0.000 0.768 239 P CB 0.527 32.333 31.700 0.177 0.000 0.838 240 L N 3.042 124.304 121.223 0.064 0.000 2.346 240 L HA 0.619 4.959 4.340 -0.000 0.000 0.276 240 L C 0.058 176.906 176.870 -0.037 0.000 1.006 240 L CA -0.649 54.223 54.840 0.053 0.000 0.817 240 L CB 1.712 43.800 42.059 0.047 0.000 1.272 240 L HN 0.342 nan 8.230 nan 0.000 0.421 241 M N 3.907 123.483 119.600 -0.040 0.000 2.393 241 M HA 0.572 5.052 4.480 -0.000 0.000 0.316 241 M C -1.521 174.746 176.300 -0.054 0.000 1.087 241 M CA -0.440 54.778 55.300 -0.137 0.000 0.937 241 M CB 1.970 34.398 32.600 -0.287 0.000 1.668 241 M HN 0.491 nan 8.290 nan 0.000 0.438 242 I N 3.805 124.337 120.570 -0.063 0.000 2.359 242 I HA 0.238 4.407 4.170 -0.000 0.000 0.294 242 I C -0.225 175.875 176.117 -0.030 0.000 0.987 242 I CA -0.208 61.075 61.300 -0.029 0.000 1.225 242 I CB 1.581 39.568 38.000 -0.022 0.000 1.366 242 I HN 0.799 nan 8.210 nan 0.000 0.466 243 D N 3.156 123.553 120.400 -0.005 0.000 3.013 243 D HA 0.003 4.643 4.640 -0.000 0.000 0.235 243 D C 1.412 177.722 176.300 0.017 0.000 1.540 243 D CA 0.538 54.541 54.000 0.005 0.000 1.303 243 D CB 0.201 41.016 40.800 0.026 0.000 0.980 243 D HN 0.443 nan 8.370 nan 0.000 0.250 244 E N 0.061 120.283 120.200 0.038 0.000 2.267 244 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 244 E C 1.777 178.391 176.600 0.023 0.000 0.998 244 E CA 1.171 57.595 56.400 0.040 0.000 0.830 244 E CB -0.407 29.327 29.700 0.056 0.000 0.751 244 E HN 0.413 nan 8.360 nan 0.000 0.491 245 G N -0.030 108.781 108.800 0.019 0.000 2.598 245 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.215 245 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.215 245 G C 0.176 175.080 174.900 0.007 0.000 1.131 245 G CA -0.044 45.065 45.100 0.015 0.000 0.785 245 G HN 0.142 nan 8.290 nan 0.000 0.539 246 L N -0.764 120.459 121.223 0.000 0.000 2.349 246 L HA 0.614 4.954 4.340 -0.000 0.000 0.278 246 L C 0.360 177.224 176.870 -0.010 0.000 0.996 246 L CA -0.619 54.215 54.840 -0.009 0.000 0.825 246 L CB 1.663 43.709 42.059 -0.022 0.000 1.243 246 L HN -0.032 nan 8.230 nan 0.000 0.412 247 K N 1.882 122.275 120.400 -0.012 0.000 2.524 247 K HA 0.349 4.669 4.320 -0.000 0.000 0.210 247 K C 0.210 176.793 176.600 -0.029 0.000 1.340 247 K CA 0.446 56.723 56.287 -0.016 0.000 0.880 247 K CB 0.575 33.069 32.500 -0.010 0.000 1.616 247 K HN 0.695 nan 8.250 nan 0.000 0.457 248 S N -0.392 115.288 115.700 -0.032 0.000 2.806 248 S HA 0.281 4.751 4.470 -0.000 0.000 0.315 248 S C 0.857 175.435 174.600 -0.037 0.000 1.127 248 S CA -0.666 57.508 58.200 -0.044 0.000 0.918 248 S CB 1.581 64.746 63.200 -0.058 0.000 1.240 248 S HN 0.019 nan 8.310 nan 0.000 0.552 249 S N 0.319 115.994 115.700 -0.042 0.000 2.440 249 S HA -0.110 4.360 4.470 -0.000 0.000 0.238 249 S C 1.867 176.458 174.600 -0.014 0.000 1.010 249 S CA 1.158 59.338 58.200 -0.033 0.000 0.972 249 S CB -0.595 62.582 63.200 -0.037 0.000 0.774 249 S HN 0.680 nan 8.310 nan 0.000 0.501 250 R N 1.640 122.136 120.500 -0.006 0.000 2.083 250 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 250 R C 1.990 178.296 176.300 0.011 0.000 1.137 250 R CA 1.818 57.925 56.100 0.013 0.000 0.951 250 R CB -0.201 30.117 30.300 0.030 0.000 0.851 250 R HN 0.469 nan 8.270 nan 0.000 0.434 251 E N 0.232 120.435 120.200 0.004 0.000 2.299 251 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 251 E C 1.855 178.453 176.600 -0.003 0.000 0.998 251 E CA 0.491 56.894 56.400 0.005 0.000 0.851 251 E CB -0.437 29.266 29.700 0.005 0.000 0.795 251 E HN 0.289 nan 8.360 nan 0.000 0.492 252 M N 2.080 121.673 119.600 -0.012 0.000 2.117 252 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 252 M C 2.382 178.675 176.300 -0.010 0.000 1.065 252 M CA 1.673 56.963 55.300 -0.017 0.000 1.114 252 M CB -0.319 32.265 32.600 -0.026 0.000 1.361 252 M HN 0.026 nan 8.290 nan 0.000 0.408 253 R N -0.619 119.878 120.500 -0.005 0.000 2.091 253 R HA -0.230 4.110 4.340 -0.000 0.000 0.238 253 R C 2.385 178.687 176.300 0.003 0.000 1.136 253 R CA 2.213 58.313 56.100 -0.001 0.000 0.959 253 R CB -0.480 29.823 30.300 0.004 0.000 0.856 253 R HN 0.676 nan 8.270 nan 0.000 0.437 254 Q N 0.277 120.080 119.800 0.006 0.000 2.079 254 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 254 Q C 2.127 178.131 176.000 0.007 0.000 0.974 254 Q CA 1.673 57.481 55.803 0.009 0.000 0.840 254 Q CB -0.032 28.714 28.738 0.013 0.000 0.898 254 Q HN 0.459 nan 8.270 nan 0.000 0.430 255 I N 0.364 120.935 120.570 0.002 0.000 2.226 255 I HA -0.304 3.865 4.170 -0.000 0.000 0.245 255 I C 2.113 178.228 176.117 -0.003 0.000 1.100 255 I CA 1.018 62.317 61.300 -0.001 0.000 1.374 255 I CB -0.185 37.809 38.000 -0.010 0.000 1.057 255 I HN 0.277 nan 8.210 nan 0.000 0.413 256 I N 0.474 121.041 120.570 -0.005 0.000 2.252 256 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 256 I C 2.585 178.702 176.117 0.000 0.000 1.102 256 I CA 1.128 62.426 61.300 -0.005 0.000 1.385 256 I CB -0.271 37.725 38.000 -0.006 0.000 1.064 256 I HN 0.119 nan 8.210 nan 0.000 0.414 257 K N 1.569 121.972 120.400 0.004 0.000 2.057 257 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 257 K C 1.745 178.351 176.600 0.010 0.000 1.049 257 K CA 1.693 57.984 56.287 0.007 0.000 0.931 257 K CB -0.277 32.228 32.500 0.008 0.000 0.714 257 K HN 0.269 nan 8.250 nan 0.000 0.440 258 L N 0.536 121.766 121.223 0.012 0.000 2.592 258 L HA 0.170 4.510 4.340 -0.000 0.000 0.227 258 L C -0.277 176.604 176.870 0.017 0.000 1.127 258 L CA 0.072 54.923 54.840 0.018 0.000 0.884 258 L CB -0.334 41.738 42.059 0.023 0.000 1.065 258 L HN 0.243 nan 8.230 nan 0.000 0.457 259 E N -0.028 120.178 120.200 0.010 0.000 2.271 259 E HA -0.270 4.080 4.350 -0.000 0.000 0.223 259 E C 1.007 177.612 176.600 0.010 0.000 1.223 259 E CA 0.288 56.692 56.400 0.006 0.000 0.704 259 E CB -0.914 28.791 29.700 0.008 0.000 1.194 259 E HN 0.582 nan 8.360 nan 0.000 0.375 260 A N -0.217 122.609 122.820 0.010 0.000 2.208 260 A HA 0.474 4.794 4.320 -0.000 0.000 0.209 260 A C 0.836 178.424 177.584 0.006 0.000 1.161 260 A CA 1.088 53.134 52.037 0.015 0.000 0.782 260 A CB 0.495 19.507 19.000 0.019 0.000 0.816 260 A HN 0.579 nan 8.150 nan 0.000 0.477 261 A N -1.308 121.507 122.820 -0.008 0.000 2.606 261 A HA 0.551 4.870 4.320 -0.000 0.000 0.293 261 A C -0.448 177.113 177.584 -0.038 0.000 1.082 261 A CA -0.255 51.768 52.037 -0.023 0.000 0.685 261 A CB 0.483 19.460 19.000 -0.037 0.000 1.284 261 A HN 0.000 nan 8.150 nan 0.000 0.408 262 D N 0.360 120.728 120.400 -0.054 0.000 2.301 262 D HA 0.089 4.729 4.640 -0.000 0.000 0.206 262 D C 0.043 176.271 176.300 -0.121 0.000 0.979 262 D CA 1.204 55.164 54.000 -0.067 0.000 0.874 262 D CB 0.385 41.155 40.800 -0.051 0.000 0.968 262 D HN 0.625 nan 8.370 nan 0.000 0.510 263 K N 0.070 120.369 120.400 -0.168 0.000 2.575 263 K HA 0.511 4.831 4.320 -0.000 0.000 0.279 263 K C -0.814 175.664 176.600 -0.203 0.000 0.969 263 K CA -0.903 55.247 56.287 -0.229 0.000 0.868 263 K CB 2.587 34.841 32.500 -0.409 0.000 1.457 263 K HN -0.161 nan 8.250 nan 0.000 0.426 264 V N -1.592 118.215 119.914 -0.180 0.000 2.864 264 V HA 0.558 4.678 4.120 -0.000 0.000 0.314 264 V C -0.894 175.117 176.094 -0.139 0.000 1.073 264 V CA -0.866 61.354 62.300 -0.133 0.000 0.956 264 V CB 1.794 33.562 31.823 -0.090 0.000 1.023 264 V HN 0.865 nan 8.190 nan 0.000 0.435 265 N N 2.781 121.420 118.700 -0.101 0.000 2.546 265 N HA 0.472 5.212 4.740 -0.000 0.000 0.238 265 N C -0.808 174.663 175.510 -0.065 0.000 0.984 265 N CA -0.453 52.548 53.050 -0.082 0.000 0.935 265 N CB 0.583 39.042 38.487 -0.047 0.000 1.122 265 N HN 0.816 nan 8.380 nan 0.000 0.510 266 I N 2.650 123.175 120.570 -0.076 0.000 2.428 266 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 266 I C 0.407 176.485 176.117 -0.065 0.000 1.019 266 I CA -0.207 61.052 61.300 -0.068 0.000 1.351 266 I CB 0.803 38.756 38.000 -0.077 0.000 1.412 266 I HN 0.152 nan 8.210 nan 0.000 0.513 267 K N 6.278 126.649 120.400 -0.048 0.000 2.471 267 K HA 0.393 4.713 4.320 -0.000 0.000 0.252 267 K C 0.493 177.076 176.600 -0.028 0.000 0.938 267 K CA -0.729 55.532 56.287 -0.043 0.000 0.796 267 K CB 2.510 34.995 32.500 -0.025 0.000 1.161 267 K HN 0.527 nan 8.250 nan 0.000 0.425 268 L N 1.705 122.912 121.223 -0.028 0.000 2.081 268 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 268 L C 1.839 178.720 176.870 0.020 0.000 1.080 268 L CA 1.320 56.158 54.840 -0.002 0.000 0.754 268 L CB -0.390 41.672 42.059 0.006 0.000 0.893 268 L HN 0.714 nan 8.230 nan 0.000 0.433 269 M N -0.432 119.179 119.600 0.017 0.000 2.460 269 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 269 M C 1.922 178.238 176.300 0.027 0.000 1.071 269 M CA 1.463 56.782 55.300 0.031 0.000 1.096 269 M CB -0.779 31.841 32.600 0.034 0.000 1.408 269 M HN 0.230 nan 8.290 nan 0.000 0.463 270 K N -0.537 119.871 120.400 0.013 0.000 2.323 270 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 270 K C 1.794 178.391 176.600 -0.004 0.000 1.043 270 K CA 1.021 57.312 56.287 0.007 0.000 0.997 270 K CB 0.305 32.806 32.500 0.002 0.000 0.807 270 K HN 0.519 nan 8.250 nan 0.000 0.497 271 C N -2.356 116.941 119.300 -0.004 0.000 3.228 271 C HA 0.504 4.964 4.460 -0.000 0.000 0.290 271 C C 1.269 176.270 174.990 0.018 0.000 1.301 271 C CA -0.056 58.954 59.018 -0.014 0.000 1.703 271 C CB 0.015 27.733 27.740 -0.036 0.000 2.141 271 C HN 0.484 nan 8.230 nan 0.000 0.656 272 G N 0.050 108.883 108.800 0.056 0.000 2.135 272 G HA2 0.436 4.396 3.960 -0.000 0.000 0.183 272 G HA3 0.436 4.396 3.960 -0.000 0.000 0.183 272 G C 0.656 175.686 174.900 0.218 0.000 1.004 272 G CA 0.231 45.412 45.100 0.135 0.000 0.677 272 G HN 2.458 nan 8.290 nan 0.000 0.512 273 G N -1.239 107.642 108.800 0.135 0.000 2.483 273 G HA2 0.087 4.047 3.960 -0.000 0.000 0.521 273 G HA3 0.087 4.047 3.960 -0.000 0.000 0.521 273 G C 0.868 175.826 174.900 0.098 0.000 1.278 273 G CA -0.088 45.105 45.100 0.155 0.000 0.965 273 G HN 0.937 nan 8.290 nan 0.000 0.504 274 I N -0.503 120.116 120.570 0.083 0.000 2.118 274 I HA -0.208 3.962 4.170 -0.000 0.000 0.241 274 I C 2.419 178.528 176.117 -0.014 0.000 1.070 274 I CA 2.451 63.697 61.300 -0.090 0.000 1.327 274 I CB -0.378 37.320 38.000 -0.503 0.000 1.034 274 I HN 0.554 nan 8.210 nan 0.000 0.405 275 Y N 1.611 121.930 120.300 0.032 0.000 2.097 275 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 275 Y C -0.365 175.453 175.900 -0.136 0.000 1.152 275 Y CA 1.699 59.808 58.100 0.015 0.000 1.136 275 Y CB -1.123 37.396 38.460 0.099 0.000 0.975 275 Y HN 0.133 nan 8.280 nan 0.000 0.498 276 P HA -0.171 nan 4.420 nan 0.000 0.218 276 P C 1.170 178.360 177.300 -0.183 0.000 1.149 276 P CA 2.154 65.120 63.100 -0.224 0.000 0.817 276 P CB -0.198 31.419 31.700 -0.138 0.000 0.785 277 A N -0.564 122.181 122.820 -0.126 0.000 1.902 277 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 277 A C 2.308 179.780 177.584 -0.185 0.000 1.181 277 A CA 1.660 53.623 52.037 -0.124 0.000 0.623 277 A CB -1.701 17.248 19.000 -0.085 0.000 0.818 277 A HN 0.022 nan 8.150 nan 0.000 0.443 278 V N 0.209 119.983 119.914 -0.233 0.000 2.407 278 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 278 V C 2.442 178.199 176.094 -0.561 0.000 1.055 278 V CA 2.342 64.420 62.300 -0.369 0.000 1.049 278 V CB -0.649 30.987 31.823 -0.311 0.000 0.662 278 V HN 0.546 nan 8.190 nan 0.000 0.455 279 K N -0.297 119.840 120.400 -0.437 0.000 2.057 279 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 279 K C 2.117 178.595 176.600 -0.202 0.000 1.049 279 K CA 1.274 57.361 56.287 -0.333 0.000 0.931 279 K CB -0.285 32.029 32.500 -0.309 0.000 0.714 279 K HN 0.362 nan 8.250 nan 0.000 0.440 280 L N 0.493 121.608 121.223 -0.180 0.000 2.046 280 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 280 L C 2.605 179.418 176.870 -0.095 0.000 1.077 280 L CA 1.136 55.908 54.840 -0.113 0.000 0.747 280 L CB -0.602 41.396 42.059 -0.102 0.000 0.896 280 L HN 0.218 nan 8.230 nan 0.000 0.432 281 A N -0.652 122.087 122.820 -0.135 0.000 1.908 281 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 281 A C 1.993 179.588 177.584 0.018 0.000 1.181 281 A CA 1.706 53.694 52.037 -0.082 0.000 0.627 281 A CB -0.973 17.961 19.000 -0.111 0.000 0.818 281 A HN 0.515 nan 8.150 nan 0.000 0.445 282 H N -1.186 117.846 119.070 -0.063 0.000 2.389 282 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 282 H C 2.419 177.715 175.328 -0.053 0.000 1.081 282 H CA 1.282 57.296 56.048 -0.057 0.000 1.345 282 H CB 0.077 29.802 29.762 -0.062 0.000 1.393 282 H HN 0.615 nan 8.280 nan 0.000 0.520 283 Q N 0.462 120.301 119.800 0.066 0.000 2.046 283 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 283 Q C 2.677 178.678 176.000 0.002 0.000 0.975 283 Q CA 1.066 56.880 55.803 0.017 0.000 0.836 283 Q CB -0.017 28.715 28.738 -0.010 0.000 0.896 283 Q HN 0.435 nan 8.270 nan 0.000 0.428 284 A N 1.110 123.924 122.820 -0.010 0.000 1.940 284 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 284 A C 1.913 179.488 177.584 -0.015 0.000 1.176 284 A CA 1.735 53.759 52.037 -0.022 0.000 0.631 284 A CB -0.570 18.407 19.000 -0.037 0.000 0.814 284 A HN 0.463 nan 8.150 nan 0.000 0.446 285 E N -0.619 119.580 120.200 -0.000 0.000 2.110 285 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 285 E C 1.971 178.563 176.600 -0.013 0.000 0.988 285 E CA 1.417 57.814 56.400 -0.006 0.000 0.804 285 E CB -0.230 29.475 29.700 0.007 0.000 0.745 285 E HN 0.681 nan 8.360 nan 0.000 0.458 286 M N -0.180 119.414 119.600 -0.009 0.000 2.279 286 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 286 M C 1.604 177.896 176.300 -0.013 0.000 1.062 286 M CA 1.845 57.137 55.300 -0.013 0.000 1.099 286 M CB 0.072 32.666 32.600 -0.010 0.000 1.394 286 M HN 0.189 nan 8.290 nan 0.000 0.426 287 A N -0.615 122.197 122.820 -0.014 0.000 2.348 287 A HA 0.447 4.767 4.320 -0.000 0.000 0.224 287 A C 1.340 178.914 177.584 -0.017 0.000 1.227 287 A CA 0.475 52.504 52.037 -0.014 0.000 0.885 287 A CB -0.454 18.537 19.000 -0.014 0.000 0.933 287 A HN 0.761 nan 8.150 nan 0.000 0.506 288 G N -0.067 108.722 108.800 -0.019 0.000 2.198 288 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 288 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 288 G C -0.006 174.877 174.900 -0.029 0.000 1.025 288 G CA 0.415 45.503 45.100 -0.021 0.000 0.769 288 G HN 0.501 nan 8.290 nan 0.000 0.507 289 I N 0.927 121.476 120.570 -0.035 0.000 2.325 289 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 289 I C 0.790 176.868 176.117 -0.065 0.000 1.019 289 I CA -0.546 60.723 61.300 -0.052 0.000 1.302 289 I CB 0.853 38.822 38.000 -0.052 0.000 1.401 289 I HN 0.165 nan 8.210 nan 0.000 0.485 290 E N 4.904 125.053 120.200 -0.087 0.000 2.373 290 E HA 0.213 4.563 4.350 -0.000 0.000 0.267 290 E C -0.930 175.591 176.600 -0.131 0.000 1.032 290 E CA -0.319 56.022 56.400 -0.099 0.000 0.889 290 E CB 1.102 30.731 29.700 -0.119 0.000 0.984 290 E HN 0.549 nan 8.360 nan 0.000 0.425 291 C N 1.858 121.096 119.300 -0.104 0.000 2.529 291 C HA 0.470 4.930 4.460 -0.000 0.000 0.329 291 C C -0.110 174.805 174.990 -0.125 0.000 1.194 291 C CA -0.619 58.331 59.018 -0.114 0.000 1.779 291 C CB 1.268 28.962 27.740 -0.077 0.000 2.322 291 C HN 0.754 nan 8.230 nan 0.000 0.500 292 Q N 0.656 120.372 119.800 -0.140 0.000 2.397 292 Q HA 0.693 5.033 4.340 -0.000 0.000 0.275 292 Q C -1.942 173.981 176.000 -0.128 0.000 1.090 292 Q CA -0.365 55.356 55.803 -0.137 0.000 0.809 292 Q CB 1.979 30.637 28.738 -0.134 0.000 1.362 292 Q HN 0.613 nan 8.270 nan 0.000 0.431 293 V N 3.390 123.207 119.914 -0.160 0.000 2.328 293 V HA 0.603 4.723 4.120 -0.000 0.000 0.278 293 V C 0.469 176.461 176.094 -0.169 0.000 1.021 293 V CA -0.035 62.169 62.300 -0.159 0.000 0.838 293 V CB 0.689 32.402 31.823 -0.183 0.000 0.999 293 V HN 0.870 nan 8.190 nan 0.000 0.447 294 G N 3.457 112.183 108.800 -0.123 0.000 2.857 294 G HA2 0.873 4.833 3.960 -0.000 0.000 0.217 294 G HA3 0.873 4.833 3.960 -0.000 0.000 0.217 294 G C -0.275 174.554 174.900 -0.119 0.000 1.357 294 G CA 0.155 45.191 45.100 -0.106 0.000 1.033 294 G HN 1.071 nan 8.290 nan 0.000 0.571 295 S N -2.233 113.413 115.700 -0.090 0.000 2.663 295 S HA 0.508 4.978 4.470 -0.000 0.000 0.264 295 S C -0.887 173.672 174.600 -0.069 0.000 1.112 295 S CA -0.817 57.331 58.200 -0.086 0.000 0.823 295 S CB 0.902 64.026 63.200 -0.126 0.000 1.111 295 S HN 0.505 nan 8.310 nan 0.000 0.476 296 M N 1.302 120.867 119.600 -0.059 0.000 2.369 296 M HA 0.461 4.941 4.480 -0.000 0.000 0.291 296 M C -0.017 176.202 176.300 -0.136 0.000 1.178 296 M CA -0.930 54.328 55.300 -0.069 0.000 0.996 296 M CB 0.564 33.148 32.600 -0.027 0.000 1.472 296 M HN 0.622 nan 8.290 nan 0.000 0.496 297 V N 2.072 121.853 119.914 -0.222 0.000 2.400 297 V HA 0.013 4.133 4.120 -0.000 0.000 0.263 297 V C 0.282 176.394 176.094 0.030 0.000 1.026 297 V CA 0.132 62.273 62.300 -0.265 0.000 1.077 297 V CB -1.403 30.152 31.823 -0.447 0.000 1.054 297 V HN 0.675 nan 8.190 nan 0.000 0.477 298 E N 2.773 123.005 120.200 0.054 0.000 2.263 298 E HA 0.562 4.912 4.350 -0.000 0.000 0.264 298 E C 0.056 176.864 176.600 0.346 0.000 0.923 298 E CA -0.621 55.884 56.400 0.174 0.000 0.802 298 E CB 1.762 31.500 29.700 0.063 0.000 1.228 298 E HN 0.685 nan 8.360 nan 0.000 0.417 299 S N 0.378 116.226 115.700 0.247 0.000 2.633 299 S HA 0.068 4.538 4.470 -0.000 0.000 0.257 299 S C 1.001 175.712 174.600 0.185 0.000 1.265 299 S CA -0.194 58.135 58.200 0.215 0.000 0.980 299 S CB 1.065 64.279 63.200 0.022 0.000 1.017 299 S HN 0.414 nan 8.310 nan 0.000 0.577 300 S N -0.046 115.753 115.700 0.166 0.000 2.400 300 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 300 S C 1.860 176.541 174.600 0.135 0.000 1.025 300 S CA 1.179 59.482 58.200 0.172 0.000 0.993 300 S CB -0.760 62.523 63.200 0.139 0.000 0.808 300 S HN 0.528 nan 8.310 nan 0.000 0.478 301 V N 1.847 121.816 119.914 0.092 0.000 2.223 301 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 301 V C 2.660 178.816 176.094 0.103 0.000 1.045 301 V CA 1.945 64.300 62.300 0.091 0.000 1.000 301 V CB -1.246 30.629 31.823 0.086 0.000 0.635 301 V HN 0.560 nan 8.190 nan 0.000 0.445 302 A N -0.585 122.290 122.820 0.091 0.000 1.930 302 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 302 A C 2.456 180.064 177.584 0.040 0.000 1.175 302 A CA 1.943 54.020 52.037 0.067 0.000 0.627 302 A CB -0.677 18.356 19.000 0.055 0.000 0.815 302 A HN 0.502 nan 8.150 nan 0.000 0.443 303 S N 0.720 116.452 115.700 0.054 0.000 2.359 303 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 303 S C 2.402 177.030 174.600 0.047 0.000 1.035 303 S CA 1.922 60.119 58.200 -0.005 0.000 1.018 303 S CB -0.504 62.777 63.200 0.136 0.000 0.876 303 S HN 0.911 nan 8.310 nan 0.000 0.448 304 S N 2.469 118.299 115.700 0.217 0.000 2.368 304 S HA 0.001 4.470 4.470 -0.000 0.000 0.224 304 S C 2.090 176.902 174.600 0.352 0.000 1.029 304 S CA 0.931 59.341 58.200 0.351 0.000 0.988 304 S CB -0.739 62.641 63.200 0.299 0.000 0.838 304 S HN 0.516 nan 8.310 nan 0.000 0.462 305 A N 2.186 125.123 122.820 0.194 0.000 1.892 305 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 305 A C 2.440 180.090 177.584 0.109 0.000 1.188 305 A CA 1.872 53.986 52.037 0.129 0.000 0.631 305 A CB -1.874 17.166 19.000 0.067 0.000 0.822 305 A HN 0.685 nan 8.150 nan 0.000 0.447 306 G N -1.579 107.225 108.800 0.005 0.000 2.418 306 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 306 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 306 G C 1.459 176.342 174.900 -0.029 0.000 1.158 306 G CA 0.991 46.034 45.100 -0.095 0.000 0.771 306 G HN 0.499 nan 8.290 nan 0.000 0.545 307 F N 0.102 120.120 119.950 0.113 0.000 2.171 307 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 307 F C 2.792 178.753 175.800 0.268 0.000 1.090 307 F CA 1.048 59.156 58.000 0.180 0.000 1.293 307 F CB -0.110 38.933 39.000 0.071 0.000 1.013 307 F HN 0.147 nan 8.300 nan 0.000 0.486 308 H N -0.640 118.646 119.070 0.360 0.000 2.387 308 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 308 H C 2.409 177.919 175.328 0.302 0.000 1.099 308 H CA 1.786 58.036 56.048 0.338 0.000 1.315 308 H CB -0.335 29.539 29.762 0.186 0.000 1.380 308 H HN 0.131 nan 8.280 nan 0.000 0.513 309 V N 0.973 121.054 119.914 0.278 0.000 2.270 309 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 309 V C 2.871 179.092 176.094 0.211 0.000 1.043 309 V CA 1.491 63.885 62.300 0.158 0.000 1.014 309 V CB -1.023 30.821 31.823 0.035 0.000 0.645 309 V HN 0.450 nan 8.190 nan 0.000 0.447 310 A N -0.233 122.717 122.820 0.216 0.000 1.873 310 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 310 A C 2.019 179.881 177.584 0.463 0.000 1.193 310 A CA 2.119 54.265 52.037 0.183 0.000 0.629 310 A CB -0.888 18.060 19.000 -0.086 0.000 0.826 310 A HN 0.472 nan 8.150 nan 0.000 0.447 311 F N 0.994 121.203 119.950 0.433 0.000 2.408 311 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 311 F C 2.680 178.672 175.800 0.319 0.000 1.090 311 F CA 1.447 59.718 58.000 0.452 0.000 1.427 311 F CB -0.107 38.963 39.000 0.116 0.000 1.070 311 F HN 0.355 nan 8.300 nan 0.000 0.549 312 S N -1.775 114.175 115.700 0.417 0.000 2.575 312 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 312 S C 0.472 175.193 174.600 0.201 0.000 0.966 312 S CA -0.157 58.216 58.200 0.288 0.000 0.911 312 S CB -0.023 63.347 63.200 0.283 0.000 0.780 312 S HN -0.079 nan 8.310 nan 0.000 0.514 313 K N 1.751 122.274 120.400 0.206 0.000 2.463 313 K HA 0.318 4.638 4.320 -0.000 0.000 0.255 313 K C 0.207 176.763 176.600 -0.073 0.000 0.942 313 K CA -0.381 55.929 56.287 0.039 0.000 0.814 313 K CB 1.923 34.468 32.500 0.075 0.000 1.122 313 K HN 0.141 nan 8.250 nan 0.000 0.425 314 K N 2.119 122.176 120.400 -0.572 0.000 2.152 314 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 314 K C 1.481 177.994 176.600 -0.146 0.000 1.048 314 K CA 1.189 57.037 56.287 -0.732 0.000 0.933 314 K CB 0.070 31.975 32.500 -0.992 0.000 0.721 314 K HN 0.433 nan 8.250 nan 0.000 0.447 315 I N 1.331 121.849 120.570 -0.086 0.000 2.830 315 I HA -0.023 4.147 4.170 -0.000 0.000 0.263 315 I C 0.177 176.312 176.117 0.030 0.000 1.230 315 I CA 0.636 61.925 61.300 -0.019 0.000 1.480 315 I CB 0.137 38.126 38.000 -0.020 0.000 1.095 315 I HN 0.088 nan 8.210 nan 0.000 0.455 316 I N 1.144 121.774 120.570 0.099 0.000 2.291 316 I HA 0.087 4.257 4.170 -0.000 0.000 0.292 316 I C 1.204 177.437 176.117 0.194 0.000 1.064 316 I CA 0.073 61.432 61.300 0.098 0.000 1.269 316 I CB 0.572 38.624 38.000 0.087 0.000 1.418 316 I HN 0.169 nan 8.210 nan 0.000 0.485 317 T N 0.132 114.758 114.554 0.121 0.000 3.054 317 T HA 0.186 4.536 4.350 -0.000 0.000 0.255 317 T C 0.485 175.317 174.700 0.220 0.000 1.035 317 T CA -0.137 62.075 62.100 0.187 0.000 0.941 317 T CB 0.085 69.022 68.868 0.115 0.000 1.026 317 T HN 0.567 nan 8.240 nan 0.000 0.533 318 S N -0.494 115.254 115.700 0.080 0.000 2.607 318 S HA 0.778 5.248 4.470 -0.000 0.000 0.273 318 S C -1.527 172.943 174.600 -0.217 0.000 1.148 318 S CA -0.771 57.459 58.200 0.050 0.000 0.833 318 S CB 2.103 65.417 63.200 0.189 0.000 1.130 318 S HN 0.267 nan 8.310 nan 0.000 0.470 319 V N 0.458 120.241 119.914 -0.219 0.000 2.841 319 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 319 V C -1.514 174.538 176.094 -0.070 0.000 1.090 319 V CA -0.450 61.687 62.300 -0.273 0.000 0.930 319 V CB 2.156 33.677 31.823 -0.504 0.000 1.014 319 V HN 1.080 nan 8.190 nan 0.000 0.425 320 E N 5.765 125.908 120.200 -0.095 0.000 3.626 320 E HA 0.351 4.701 4.350 -0.000 0.000 0.245 320 E C -1.741 174.794 176.600 -0.107 0.000 1.236 320 E CA -0.204 56.167 56.400 -0.048 0.000 1.072 320 E CB 1.308 30.996 29.700 -0.021 0.000 1.309 320 E HN 0.387 nan 8.360 nan 0.000 0.400 321 L N 1.364 122.518 121.223 -0.114 0.000 2.401 321 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 321 L C 0.708 177.631 176.870 0.089 0.000 1.004 321 L CA -0.172 54.562 54.840 -0.177 0.000 0.881 321 L CB 1.347 43.040 42.059 -0.610 0.000 1.219 321 L HN 0.191 nan 8.230 nan 0.000 0.441 322 T N -3.226 111.308 114.554 -0.033 0.000 3.231 322 T HA 0.174 4.524 4.350 -0.000 0.000 0.292 322 T C 1.471 175.993 174.700 -0.297 0.000 1.001 322 T CA 0.262 62.304 62.100 -0.097 0.000 0.920 322 T CB 0.733 69.529 68.868 -0.120 0.000 1.140 322 T HN 0.483 nan 8.240 nan 0.000 0.525 323 G N 3.004 111.631 108.800 -0.289 0.000 2.446 323 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 323 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 323 G C -0.629 173.916 174.900 -0.593 0.000 1.168 323 G CA 0.741 45.508 45.100 -0.554 0.000 0.771 323 G HN 0.449 nan 8.290 nan 0.000 0.551 324 P HA -0.068 nan 4.420 nan 0.000 0.218 324 P C 1.409 178.607 177.300 -0.169 0.000 1.146 324 P CA 0.962 64.073 63.100 0.019 0.000 0.813 324 P CB -0.164 31.648 31.700 0.186 0.000 0.778 325 L N -5.039 115.950 121.223 -0.389 0.000 2.791 325 L HA 0.377 4.717 4.340 -0.000 0.000 0.239 325 L C 1.139 177.846 176.870 -0.272 0.000 1.203 325 L CA 0.752 55.396 54.840 -0.326 0.000 1.002 325 L CB -0.416 41.381 42.059 -0.437 0.000 1.295 325 L HN -0.279 nan 8.230 nan 0.000 0.504 326 K N -0.776 119.378 120.400 -0.411 0.000 2.425 326 K HA 0.319 4.639 4.320 -0.000 0.000 0.201 326 K C -0.292 176.130 176.600 -0.295 0.000 1.128 326 K CA -0.149 55.898 56.287 -0.399 0.000 1.000 326 K CB 0.488 32.631 32.500 -0.596 0.000 0.961 326 K HN 0.107 nan 8.250 nan 0.000 0.555 327 F N 0.901 120.805 119.950 -0.078 0.000 2.370 327 F HA 0.085 4.612 4.527 -0.000 0.000 0.324 327 F C 1.890 177.667 175.800 -0.038 0.000 1.116 327 F CA -0.576 57.390 58.000 -0.057 0.000 1.123 327 F CB 0.996 39.960 39.000 -0.060 0.000 1.238 327 F HN -0.070 nan 8.300 nan 0.000 0.536 328 T N -2.468 112.199 114.554 0.189 0.000 3.044 328 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 328 T C 0.250 174.992 174.700 0.070 0.000 1.081 328 T CA 0.155 62.311 62.100 0.093 0.000 1.040 328 T CB -0.160 68.745 68.868 0.063 0.000 0.962 328 T HN 0.438 nan 8.240 nan 0.000 0.506 329 K N 0.977 121.421 120.400 0.072 0.000 2.535 329 K HA 0.503 4.823 4.320 -0.000 0.000 0.251 329 K C -2.042 174.551 176.600 -0.012 0.000 0.942 329 K CA -0.745 55.550 56.287 0.013 0.000 0.798 329 K CB 2.197 34.678 32.500 -0.032 0.000 1.267 329 K HN 0.003 nan 8.250 nan 0.000 0.434 330 D N 2.364 122.763 120.400 -0.002 0.000 2.738 330 D HA 0.269 4.909 4.640 -0.000 0.000 0.237 330 D C 0.638 176.909 176.300 -0.049 0.000 1.123 330 D CA -0.717 53.278 54.000 -0.008 0.000 0.856 330 D CB 1.638 42.491 40.800 0.088 0.000 1.552 330 D HN 0.582 nan 8.370 nan 0.000 0.480 331 I N -0.048 120.471 120.570 -0.084 0.000 3.428 331 I HA 0.384 4.553 4.170 -0.000 0.000 0.286 331 I C 0.790 176.839 176.117 -0.114 0.000 1.287 331 I CA -0.043 61.188 61.300 -0.115 0.000 1.396 331 I CB 0.200 38.110 38.000 -0.150 0.000 1.062 331 I HN 0.180 nan 8.210 nan 0.000 0.471 332 G N 1.883 110.649 108.800 -0.056 0.000 2.816 332 G HA2 0.404 4.364 3.960 -0.000 0.000 0.288 332 G HA3 0.404 4.364 3.960 -0.000 0.000 0.288 332 G C -0.687 174.226 174.900 0.022 0.000 1.334 332 G CA -0.604 44.472 45.100 -0.039 0.000 0.978 332 G HN 0.330 nan 8.290 nan 0.000 0.493 333 N N 0.099 118.822 118.700 0.038 0.000 2.599 333 N HA 0.142 4.882 4.740 -0.000 0.000 0.309 333 N C -0.573 175.014 175.510 0.127 0.000 1.743 333 N CA -0.554 52.542 53.050 0.077 0.000 0.918 333 N CB 0.751 39.263 38.487 0.042 0.000 1.339 333 N HN 0.314 nan 8.380 nan 0.000 0.493 334 L N 1.876 123.199 121.223 0.168 0.000 2.477 334 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 334 L C -0.107 176.917 176.870 0.256 0.000 1.157 334 L CA 0.131 55.081 54.840 0.184 0.000 0.889 334 L CB -0.065 42.137 42.059 0.238 0.000 1.158 334 L HN 0.418 nan 8.230 nan 0.000 0.473 335 H N 4.333 123.441 119.070 0.064 0.000 2.562 335 H HA 0.388 4.944 4.556 -0.000 0.000 0.314 335 H C -1.479 173.875 175.328 0.043 0.000 1.079 335 H CA -0.116 55.990 56.048 0.096 0.000 1.349 335 H CB 0.390 30.172 29.762 0.032 0.000 1.432 335 H HN 0.549 nan 8.280 nan 0.000 0.479 336 Y N 2.987 122.914 120.300 -0.622 0.000 2.341 336 Y HA 0.190 4.740 4.550 -0.000 0.000 0.337 336 Y C 0.273 175.778 175.900 -0.657 0.000 1.014 336 Y CA -0.806 57.004 58.100 -0.483 0.000 1.111 336 Y CB 1.372 39.718 38.460 -0.190 0.000 1.194 336 Y HN 0.681 nan 8.280 nan 0.000 0.462 337 D N 3.252 123.505 120.400 -0.245 0.000 3.139 337 D HA 0.136 4.776 4.640 -0.000 0.000 0.268 337 D C -0.313 176.020 176.300 0.056 0.000 1.322 337 D CA 0.040 53.999 54.000 -0.069 0.000 0.940 337 D CB 0.450 41.261 40.800 0.019 0.000 1.050 337 D HN 0.241 nan 8.370 nan 0.000 0.503 338 V N 3.202 123.120 119.914 0.006 0.000 2.780 338 V HA -0.092 4.028 4.120 -0.000 0.000 0.301 338 V C -1.145 174.879 176.094 -0.116 0.000 1.168 338 V CA -0.123 62.118 62.300 -0.098 0.000 1.305 338 V CB -0.044 31.677 31.823 -0.170 0.000 0.858 338 V HN 0.298 nan 8.190 nan 0.000 0.502 339 P HA 0.363 nan 4.420 nan 0.000 0.220 339 P C -0.798 176.120 177.300 -0.636 0.000 1.793 339 P CA 0.069 62.826 63.100 -0.572 0.000 0.917 339 P CB -0.204 31.012 31.700 -0.807 0.000 1.755 340 F N 0.088 120.001 119.950 -0.063 0.000 2.643 340 F HA 0.487 5.014 4.527 -0.000 0.000 0.314 340 F C 0.019 175.787 175.800 -0.053 0.000 1.096 340 F CA -1.273 56.713 58.000 -0.023 0.000 0.953 340 F CB 1.272 40.251 39.000 -0.035 0.000 1.345 340 F HN -0.303 nan 8.300 nan 0.000 0.468 341 I N 1.121 121.776 120.570 0.142 0.000 2.545 341 I HA 0.684 4.854 4.170 -0.000 0.000 0.292 341 I C -0.939 175.208 176.117 0.050 0.000 1.040 341 I CA -0.891 60.318 61.300 -0.152 0.000 1.068 341 I CB 2.103 39.750 38.000 -0.589 0.000 1.251 341 I HN 0.434 nan 8.210 nan 0.000 0.424 342 R N 5.087 125.520 120.500 -0.112 0.000 2.621 342 R HA 0.712 5.052 4.340 -0.000 0.000 0.284 342 R C -1.421 174.673 176.300 -0.343 0.000 0.998 342 R CA -0.922 55.143 56.100 -0.058 0.000 0.895 342 R CB 2.434 32.720 30.300 -0.024 0.000 1.195 342 R HN 0.489 nan 8.270 nan 0.000 0.450 343 L N 2.907 123.767 121.223 -0.604 0.000 2.357 343 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 343 L C 0.911 177.662 176.870 -0.197 0.000 1.080 343 L CA -0.618 53.900 54.840 -0.537 0.000 0.803 343 L CB 1.063 42.624 42.059 -0.830 0.000 1.174 343 L HN 0.765 nan 8.230 nan 0.000 0.443 344 N N 0.773 119.420 118.700 -0.088 0.000 2.328 344 N HA 0.022 4.762 4.740 -0.000 0.000 0.277 344 N C -0.088 175.461 175.510 0.066 0.000 1.286 344 N CA -0.619 52.428 53.050 -0.005 0.000 0.949 344 N CB 0.878 39.367 38.487 0.003 0.000 1.136 344 N HN 0.524 nan 8.380 nan 0.000 0.550 345 E N -1.016 119.219 120.200 0.059 0.000 2.501 345 E HA 0.152 4.502 4.350 -0.000 0.000 0.200 345 E C -0.653 175.958 176.600 0.019 0.000 1.016 345 E CA -0.218 56.226 56.400 0.073 0.000 0.921 345 E CB 0.208 29.949 29.700 0.067 0.000 1.034 345 E HN 0.367 nan 8.360 nan 0.000 0.468 346 K N 2.029 122.438 120.400 0.014 0.000 2.319 346 K HA 0.126 4.446 4.320 -0.000 0.000 0.265 346 K C -2.259 174.328 176.600 -0.022 0.000 1.000 346 K CA -1.570 54.718 56.287 0.002 0.000 0.943 346 K CB 0.198 32.705 32.500 0.011 0.000 0.950 346 K HN 0.054 nan 8.250 nan 0.000 0.485 347 P HA -0.064 nan 4.420 nan 0.000 0.269 347 P C 0.586 177.858 177.300 -0.047 0.000 1.215 347 P CA 0.384 63.460 63.100 -0.041 0.000 0.780 347 P CB 0.649 32.337 31.700 -0.021 0.000 0.898 348 G N 1.789 110.543 108.800 -0.077 0.000 2.574 348 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.286 348 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.286 348 G C 0.862 175.650 174.900 -0.186 0.000 1.212 348 G CA 0.328 45.374 45.100 -0.089 0.000 0.979 348 G HN 0.487 nan 8.290 nan 0.000 0.557 349 L N 2.322 123.478 121.223 -0.111 0.000 2.551 349 L HA 0.295 4.635 4.340 -0.000 0.000 0.228 349 L C 2.399 179.315 176.870 0.078 0.000 1.153 349 L CA 1.018 55.805 54.840 -0.087 0.000 0.851 349 L CB -0.702 41.368 42.059 0.017 0.000 0.959 349 L HN 1.958 nan 8.230 nan 0.000 0.451 350 G N 0.712 109.536 108.800 0.040 0.000 2.225 350 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 350 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 350 G C 0.124 175.055 174.900 0.052 0.000 1.024 350 G CA 0.154 45.288 45.100 0.057 0.000 0.784 350 G HN 0.194 nan 8.290 nan 0.000 0.507 351 I N -0.962 119.631 120.570 0.038 0.000 2.957 351 I HA 0.658 4.828 4.170 -0.000 0.000 0.310 351 I C -0.122 175.983 176.117 -0.020 0.000 1.063 351 I CA -1.455 59.856 61.300 0.020 0.000 1.033 351 I CB 2.064 40.081 38.000 0.028 0.000 1.230 351 I HN 0.048 nan 8.210 nan 0.000 0.447 352 E N 2.909 123.082 120.200 -0.044 0.000 2.210 352 E HA 0.499 4.849 4.350 -0.000 0.000 0.266 352 E C -0.910 175.602 176.600 -0.146 0.000 0.883 352 E CA -0.461 55.892 56.400 -0.079 0.000 0.761 352 E CB 1.941 31.613 29.700 -0.047 0.000 1.156 352 E HN 0.180 nan 8.360 nan 0.000 0.412 353 I N 2.713 123.131 120.570 -0.254 0.000 2.331 353 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 353 I C 0.143 176.125 176.117 -0.224 0.000 0.998 353 I CA -0.615 60.471 61.300 -0.356 0.000 1.267 353 I CB 0.882 38.396 38.000 -0.810 0.000 1.386 353 I HN 0.466 nan 8.210 nan 0.000 0.476 354 N N 6.595 125.193 118.700 -0.171 0.000 2.482 354 N HA 0.010 4.750 4.740 -0.000 0.000 0.242 354 N C 1.020 176.453 175.510 -0.128 0.000 1.100 354 N CA -0.024 52.956 53.050 -0.117 0.000 0.946 354 N CB 0.787 39.224 38.487 -0.084 0.000 1.227 354 N HN 0.365 nan 8.380 nan 0.000 0.508 355 E N 2.291 122.423 120.200 -0.113 0.000 2.114 355 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 355 E C 0.570 177.115 176.600 -0.092 0.000 1.008 355 E CA 1.393 57.729 56.400 -0.105 0.000 0.810 355 E CB 0.191 29.854 29.700 -0.061 0.000 0.739 355 E HN 0.667 nan 8.360 nan 0.000 0.456 356 D N -0.223 120.137 120.400 -0.066 0.000 2.117 356 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 356 D C 1.905 178.170 176.300 -0.058 0.000 0.987 356 D CA 1.519 55.489 54.000 -0.049 0.000 0.829 356 D CB -0.329 40.450 40.800 -0.035 0.000 0.961 356 D HN 0.195 nan 8.370 nan 0.000 0.460 357 T N 1.692 116.203 114.554 -0.071 0.000 2.777 357 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 357 T C 1.997 176.638 174.700 -0.097 0.000 1.040 357 T CA 0.438 62.493 62.100 -0.074 0.000 1.141 357 T CB -0.337 68.485 68.868 -0.076 0.000 0.868 357 T HN 0.022 nan 8.240 nan 0.000 0.444 358 L N 1.307 122.449 121.223 -0.135 0.000 1.989 358 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 358 L C 2.501 179.286 176.870 -0.141 0.000 1.071 358 L CA 1.897 56.626 54.840 -0.185 0.000 0.749 358 L CB -0.865 41.013 42.059 -0.301 0.000 0.890 358 L HN 0.070 nan 8.230 nan 0.000 0.431 359 Q N 0.114 119.848 119.800 -0.110 0.000 2.124 359 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 359 Q C 2.085 178.079 176.000 -0.010 0.000 0.977 359 Q CA 2.092 57.873 55.803 -0.037 0.000 0.850 359 Q CB -0.253 28.475 28.738 -0.017 0.000 0.901 359 Q HN 0.827 nan 8.270 nan 0.000 0.429 360 E N -1.095 119.090 120.200 -0.025 0.000 2.285 360 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 360 E C 1.470 178.061 176.600 -0.015 0.000 0.997 360 E CA 0.674 57.066 56.400 -0.013 0.000 0.845 360 E CB -0.178 29.511 29.700 -0.018 0.000 0.782 360 E HN 0.371 nan 8.360 nan 0.000 0.491 361 L N 1.143 122.345 121.223 -0.034 0.000 2.477 361 L HA 0.116 4.456 4.340 -0.000 0.000 0.220 361 L C 0.620 177.485 176.870 -0.008 0.000 1.106 361 L CA 0.051 54.867 54.840 -0.041 0.000 0.851 361 L CB 0.082 42.090 42.059 -0.084 0.000 0.994 361 L HN 0.004 nan 8.230 nan 0.000 0.462 362 T N 0.250 114.813 114.554 0.014 0.000 2.853 362 T HA 0.057 4.406 4.350 -0.000 0.000 0.298 362 T C 1.236 175.965 174.700 0.048 0.000 0.978 362 T CA -0.102 62.026 62.100 0.047 0.000 1.152 362 T CB 2.065 71.002 68.868 0.116 0.000 0.914 362 T HN -0.131 nan 8.240 nan 0.000 0.539 363 V N 3.486 123.413 119.914 0.021 0.000 2.825 363 V HA 0.263 4.383 4.120 -0.000 0.000 0.246 363 V C 0.150 176.337 176.094 0.153 0.000 1.068 363 V CA 0.827 63.196 62.300 0.114 0.000 1.088 363 V CB -0.552 31.444 31.823 0.288 0.000 0.733 363 V HN 0.918 nan 8.190 nan 0.000 0.468 364 F N -0.582 119.337 119.950 -0.052 0.000 2.719 364 F HA 0.734 5.261 4.527 -0.000 0.000 0.309 364 F C -1.045 174.653 175.800 -0.169 0.000 1.138 364 F CA -1.328 56.584 58.000 -0.147 0.000 0.943 364 F CB 1.139 39.972 39.000 -0.279 0.000 1.304 364 F HN 0.110 nan 8.300 nan 0.000 0.445 365 Q N 0.424 120.316 119.800 0.152 0.000 2.737 365 Q HA 0.751 5.091 4.340 -0.000 0.000 0.307 365 Q C -2.342 173.785 176.000 0.212 0.000 0.905 365 Q CA -1.062 54.821 55.803 0.133 0.000 0.753 365 Q CB 3.337 32.085 28.738 0.017 0.000 1.463 365 Q HN 0.727 nan 8.270 nan 0.000 0.455 366 D N -0.437 120.033 120.400 0.116 0.000 2.671 366 D HA 0.575 5.215 4.640 -0.000 0.000 0.273 366 D C -1.276 174.947 176.300 -0.128 0.000 1.264 366 D CA -0.388 53.628 54.000 0.027 0.000 0.788 366 D CB 2.185 43.017 40.800 0.053 0.000 1.324 366 D HN 0.549 nan 8.370 nan 0.000 0.424 367 I N 0.757 121.232 120.570 -0.157 0.000 2.647 367 I HA 0.429 4.599 4.170 -0.000 0.000 0.295 367 I C -0.738 175.226 176.117 -0.255 0.000 1.078 367 I CA -0.956 60.175 61.300 -0.282 0.000 1.048 367 I CB 2.546 40.372 38.000 -0.291 0.000 1.239 367 I HN -0.039 nan 8.210 nan 0.000 0.421 368 V N 5.998 125.736 119.914 -0.294 0.000 2.487 368 V HA 0.602 4.722 4.120 -0.000 0.000 0.298 368 V C -0.265 175.708 176.094 -0.201 0.000 1.028 368 V CA -0.572 61.595 62.300 -0.223 0.000 0.860 368 V CB 1.805 33.493 31.823 -0.226 0.000 0.991 368 V HN 0.827 nan 8.190 nan 0.000 0.427 369 R N 0.000 120.410 120.500 -0.149 0.000 2.786 369 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 369 R CA 0.000 56.027 56.100 -0.121 0.000 0.921 369 R CB 0.000 30.233 30.300 -0.112 0.000 0.687 369 R HN 0.000 nan 8.270 nan 0.000 0.535