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 1y9d_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMXX XXXQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYXXXXX XQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRAAQK PANEALAQAD VVLFVGNNYP XXXXXXAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDDLQHQ 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.745 174.700 0.075 0.000 1.109 9 T CA 0.000 62.129 62.100 0.049 0.000 1.349 9 T CB 0.000 68.885 68.868 0.028 0.000 0.612 10 N N 1.628 120.379 118.700 0.086 0.000 2.776 10 N HA -0.174 4.567 4.740 0.002 0.000 0.292 10 N C -0.914 174.663 175.510 0.112 0.000 1.561 10 N CA 1.082 54.190 53.050 0.096 0.000 1.336 10 N CB -0.208 38.319 38.487 0.066 0.000 0.970 10 N HN 0.677 nan 8.380 nan 0.000 0.524 11 I N 2.466 123.114 120.570 0.131 0.000 2.865 11 I HA 0.373 4.544 4.170 0.002 0.000 0.302 11 I C -0.535 175.620 176.117 0.063 0.000 1.140 11 I CA -0.921 60.444 61.300 0.109 0.000 1.021 11 I CB 1.605 39.706 38.000 0.169 0.000 1.233 11 I HN 0.304 nan 8.210 nan 0.000 0.427 12 L N 5.414 126.660 121.223 0.038 0.000 2.456 12 L HA 0.227 4.568 4.340 0.002 0.000 0.272 12 L C 1.491 178.334 176.870 -0.044 0.000 1.189 12 L CA 0.202 55.057 54.840 0.025 0.000 0.846 12 L CB 1.227 43.318 42.059 0.052 0.000 1.111 12 L HN 0.844 nan 8.230 nan 0.000 0.475 13 A N 3.015 125.806 122.820 -0.048 0.000 1.933 13 A HA -0.111 4.210 4.320 0.002 0.000 0.218 13 A C 2.119 179.592 177.584 -0.184 0.000 1.175 13 A CA 1.735 53.701 52.037 -0.120 0.000 0.628 13 A CB -0.971 17.983 19.000 -0.076 0.000 0.814 13 A HN 0.989 nan 8.150 nan 0.000 0.444 14 G N -0.564 108.138 108.800 -0.162 0.000 2.422 14 G HA2 0.013 3.974 3.960 0.002 0.000 0.218 14 G HA3 0.013 3.974 3.960 0.002 0.000 0.218 14 G C 1.690 176.471 174.900 -0.198 0.000 1.146 14 G CA 1.350 46.325 45.100 -0.208 0.000 0.769 14 G HN 0.773 nan 8.290 nan 0.000 0.547 15 A N 1.123 123.850 122.820 -0.156 0.000 1.898 15 A HA 0.355 4.676 4.320 0.002 0.000 0.216 15 A C 2.807 180.253 177.584 -0.231 0.000 1.181 15 A CA 2.011 53.964 52.037 -0.141 0.000 0.620 15 A CB -0.730 18.230 19.000 -0.066 0.000 0.819 15 A HN 0.729 nan 8.150 nan 0.000 0.442 16 A N -0.392 122.211 122.820 -0.362 0.000 1.902 16 A HA -0.023 4.298 4.320 0.002 0.000 0.217 16 A C 2.218 179.414 177.584 -0.647 0.000 1.181 16 A CA 1.803 53.377 52.037 -0.772 0.000 0.623 16 A CB -0.967 17.331 19.000 -1.170 0.000 0.818 16 A HN 0.377 nan 8.150 nan 0.000 0.443 17 V N 0.786 120.456 119.914 -0.407 0.000 2.287 17 V HA -0.280 3.841 4.120 0.002 0.000 0.248 17 V C 2.434 178.400 176.094 -0.213 0.000 1.053 17 V CA 1.990 64.124 62.300 -0.277 0.000 1.027 17 V CB -0.683 31.003 31.823 -0.228 0.000 0.646 17 V HN 0.552 nan 8.190 nan 0.000 0.447 18 I N -0.416 120.035 120.570 -0.198 0.000 2.315 18 I HA -0.140 4.031 4.170 0.002 0.000 0.248 18 I C 2.439 178.491 176.117 -0.107 0.000 1.117 18 I CA 1.399 62.616 61.300 -0.138 0.000 1.404 18 I CB -1.317 36.608 38.000 -0.125 0.000 1.071 18 I HN 0.326 nan 8.210 nan 0.000 0.419 19 K N 0.932 121.247 120.400 -0.142 0.000 2.097 19 K HA -0.068 4.253 4.320 0.002 0.000 0.206 19 K C 2.301 178.874 176.600 -0.045 0.000 1.049 19 K CA 0.800 57.040 56.287 -0.079 0.000 0.933 19 K CB -0.712 31.756 32.500 -0.053 0.000 0.717 19 K HN 0.214 nan 8.250 nan 0.000 0.442 20 V N 2.285 122.137 119.914 -0.103 0.000 2.255 20 V HA -0.264 3.857 4.120 0.002 0.000 0.247 20 V C 2.521 178.720 176.094 0.174 0.000 1.051 20 V CA 1.659 63.992 62.300 0.054 0.000 1.018 20 V CB -0.571 31.275 31.823 0.039 0.000 0.641 20 V HN 0.207 nan 8.190 nan 0.000 0.445 21 L N -0.377 120.891 121.223 0.074 0.000 2.013 21 L HA -0.259 4.082 4.340 0.002 0.000 0.212 21 L C 2.607 179.536 176.870 0.098 0.000 1.073 21 L CA 2.040 56.928 54.840 0.080 0.000 0.753 21 L CB -0.769 41.283 42.059 -0.012 0.000 0.890 21 L HN 0.413 nan 8.230 nan 0.000 0.432 22 E N 0.107 120.330 120.200 0.038 0.000 2.110 22 E HA -0.197 4.154 4.350 0.002 0.000 0.193 22 E C 2.287 178.907 176.600 0.032 0.000 0.988 22 E CA 1.090 57.504 56.400 0.022 0.000 0.804 22 E CB -0.204 29.492 29.700 -0.007 0.000 0.745 22 E HN 0.496 nan 8.360 nan 0.000 0.458 23 A N 0.302 123.134 122.820 0.020 0.000 2.024 23 A HA -0.165 4.156 4.320 0.002 0.000 0.220 23 A C 1.362 178.883 177.584 -0.106 0.000 1.164 23 A CA 0.985 52.977 52.037 -0.076 0.000 0.643 23 A CB -0.735 18.171 19.000 -0.156 0.000 0.806 23 A HN 0.387 nan 8.150 nan 0.000 0.451 24 W N -1.097 120.197 121.300 -0.010 0.000 3.290 24 W HA 0.383 5.044 4.660 0.002 0.000 0.287 24 W C 1.501 178.031 176.519 0.018 0.000 1.288 24 W CA 0.650 58.007 57.345 0.019 0.000 1.725 24 W CB 0.185 29.673 29.460 0.047 0.000 1.103 24 W HN 0.538 nan 8.180 nan 0.000 0.670 25 G N 0.623 109.522 108.800 0.166 0.000 2.160 25 G HA2 -0.294 3.667 3.960 0.002 0.000 0.251 25 G HA3 -0.294 3.667 3.960 0.002 0.000 0.251 25 G C -0.038 174.906 174.900 0.074 0.000 1.008 25 G CA -0.010 45.148 45.100 0.096 0.000 0.724 25 G HN 0.014 nan 8.290 nan 0.000 0.514 26 V N 0.627 120.583 119.914 0.069 0.000 2.450 26 V HA 0.209 4.330 4.120 0.002 0.000 0.281 26 V C 1.490 177.556 176.094 -0.047 0.000 1.019 26 V CA 1.207 63.495 62.300 -0.020 0.000 1.062 26 V CB 1.189 32.994 31.823 -0.029 0.000 0.979 26 V HN 0.549 nan 8.190 nan 0.000 0.477 27 D N 3.236 123.590 120.400 -0.078 0.000 2.183 27 D HA -0.019 4.622 4.640 0.002 0.000 0.205 27 D C 0.728 177.076 176.300 0.079 0.000 0.962 27 D CA 0.791 54.805 54.000 0.024 0.000 0.849 27 D CB 0.344 41.222 40.800 0.130 0.000 0.978 27 D HN 0.820 nan 8.370 nan 0.000 0.488 28 H N -1.339 117.697 119.070 -0.056 0.000 3.016 28 H HA 0.504 5.061 4.556 0.002 0.000 0.362 28 H C -0.959 174.197 175.328 -0.288 0.000 1.233 28 H CA -1.176 54.779 56.048 -0.155 0.000 1.124 28 H CB 0.791 30.422 29.762 -0.219 0.000 1.850 28 H HN 0.110 nan 8.280 nan 0.000 0.549 29 L N -0.627 120.426 121.223 -0.283 0.000 2.540 29 L HA 0.700 5.041 4.340 0.002 0.000 0.256 29 L C -2.103 174.539 176.870 -0.381 0.000 1.001 29 L CA -1.132 53.538 54.840 -0.283 0.000 0.843 29 L CB 2.569 44.651 42.059 0.037 0.000 1.436 29 L HN 0.510 nan 8.230 nan 0.000 0.410 30 Y N 0.309 120.618 120.300 0.016 0.000 2.485 30 Y HA 0.977 5.528 4.550 0.002 0.000 0.345 30 Y C 0.637 176.253 175.900 -0.473 0.000 0.998 30 Y CA -0.104 57.898 58.100 -0.163 0.000 1.059 30 Y CB 2.473 40.842 38.460 -0.152 0.000 1.234 30 Y HN 1.050 nan 8.280 nan 0.000 0.461 31 G N 1.091 109.639 108.800 -0.421 0.000 2.320 31 G HA2 0.497 4.458 3.960 0.002 0.000 0.296 31 G HA3 0.497 4.458 3.960 0.002 0.000 0.296 31 G C -2.280 172.409 174.900 -0.351 0.000 1.306 31 G CA -0.912 43.574 45.100 -1.024 0.000 0.836 31 G HN 0.504 nan 8.290 nan 0.000 0.517 32 I N 2.129 122.573 120.570 -0.210 0.000 2.499 32 I HA 0.373 4.544 4.170 0.002 0.000 0.288 32 I C -2.113 174.190 176.117 0.309 0.000 1.048 32 I CA -2.021 59.366 61.300 0.144 0.000 1.062 32 I CB 2.907 40.956 38.000 0.080 0.000 1.238 32 I HN 0.291 nan 8.210 nan 0.000 0.426 33 P HA 0.337 nan 4.420 nan 0.000 0.272 33 P C -0.367 177.024 177.300 0.152 0.000 1.240 33 P CA -0.004 63.238 63.100 0.237 0.000 0.791 33 P CB 1.174 32.962 31.700 0.146 0.000 0.978 34 G N -1.220 107.635 108.800 0.092 0.000 2.660 34 G HA2 0.453 4.414 3.960 0.002 0.000 0.290 34 G HA3 0.453 4.414 3.960 0.002 0.000 0.290 34 G C 0.729 175.662 174.900 0.054 0.000 1.432 34 G CA -0.145 44.999 45.100 0.073 0.000 0.807 34 G HN 0.470 nan 8.290 nan 0.000 0.485 35 G N 0.143 109.000 108.800 0.095 0.000 2.440 35 G HA2 -0.143 3.818 3.960 0.002 0.000 0.218 35 G HA3 -0.143 3.818 3.960 0.002 0.000 0.218 35 G C 2.100 177.061 174.900 0.101 0.000 1.154 35 G CA 2.288 47.464 45.100 0.126 0.000 0.767 35 G HN 1.544 nan 8.290 nan 0.000 0.552 36 S N -0.515 115.226 115.700 0.069 0.000 2.500 36 S HA 0.105 4.576 4.470 0.002 0.000 0.239 36 S C 1.684 176.179 174.600 -0.176 0.000 0.989 36 S CA 1.001 59.137 58.200 -0.106 0.000 0.951 36 S CB -0.025 62.924 63.200 -0.418 0.000 0.759 36 S HN 0.378 nan 8.310 nan 0.000 0.523 37 I N -0.015 120.462 120.570 -0.154 0.000 3.994 37 I HA 0.297 4.468 4.170 0.002 0.000 0.323 37 I C 0.689 176.616 176.117 -0.316 0.000 1.501 37 I CA -0.147 60.997 61.300 -0.259 0.000 1.112 37 I CB 0.283 38.139 38.000 -0.240 0.000 1.254 37 I HN 0.006 nan 8.210 nan 0.000 0.495 38 N N 0.923 119.483 118.700 -0.234 0.000 2.364 38 N HA -0.143 4.598 4.740 0.002 0.000 0.183 38 N C 2.006 177.262 175.510 -0.425 0.000 1.022 38 N CA 1.687 54.621 53.050 -0.193 0.000 0.883 38 N CB 0.037 38.544 38.487 0.034 0.000 0.965 38 N HN 0.538 nan 8.380 nan 0.000 0.438 39 S N 0.000 115.151 115.700 -0.915 0.000 2.387 39 S HA 0.017 4.488 4.470 0.002 0.000 0.226 39 S C 1.904 176.061 174.600 -0.740 0.000 1.026 39 S CA 0.333 57.707 58.200 -1.376 0.000 0.972 39 S CB -0.143 61.760 63.200 -2.161 0.000 0.814 39 S HN 0.060 nan 8.310 nan 0.000 0.477 40 I N 1.958 122.177 120.570 -0.586 0.000 2.315 40 I HA -0.053 4.118 4.170 0.002 0.000 0.248 40 I C 2.420 178.264 176.117 -0.455 0.000 1.117 40 I CA 1.118 62.124 61.300 -0.489 0.000 1.404 40 I CB -1.190 36.486 38.000 -0.540 0.000 1.071 40 I HN 0.304 nan 8.210 nan 0.000 0.419 41 M N 0.045 119.375 119.600 -0.451 0.000 2.080 41 M HA -0.230 4.251 4.480 0.002 0.000 0.260 41 M C 2.025 178.193 176.300 -0.219 0.000 1.068 41 M CA 1.616 56.700 55.300 -0.359 0.000 1.109 41 M CB -1.525 30.918 32.600 -0.263 0.000 1.342 41 M HN 0.151 nan 8.290 nan 0.000 0.405 42 D N 0.253 120.561 120.400 -0.153 0.000 2.133 42 D HA -0.101 4.540 4.640 0.002 0.000 0.195 42 D C 1.901 178.171 176.300 -0.050 0.000 0.997 42 D CA 1.860 55.849 54.000 -0.019 0.000 0.840 42 D CB 0.032 40.920 40.800 0.147 0.000 0.947 42 D HN 0.338 nan 8.370 nan 0.000 0.452 43 A N -0.136 122.607 122.820 -0.127 0.000 1.969 43 A HA -0.050 4.271 4.320 0.002 0.000 0.218 43 A C 2.467 179.983 177.584 -0.112 0.000 1.169 43 A CA 0.676 52.645 52.037 -0.114 0.000 0.635 43 A CB -0.575 18.327 19.000 -0.162 0.000 0.810 43 A HN 0.318 nan 8.150 nan 0.000 0.445 44 L N -1.040 120.091 121.223 -0.154 0.000 2.056 44 L HA -0.144 4.197 4.340 0.002 0.000 0.207 44 L C 2.896 179.733 176.870 -0.054 0.000 1.078 44 L CA 1.369 56.136 54.840 -0.122 0.000 0.749 44 L CB -0.476 41.462 42.059 -0.203 0.000 0.901 44 L HN 0.468 nan 8.230 nan 0.000 0.433 45 S N -0.157 115.512 115.700 -0.051 0.000 2.359 45 S HA -0.260 4.211 4.470 0.002 0.000 0.223 45 S C 2.105 176.713 174.600 0.013 0.000 1.039 45 S CA 1.539 59.740 58.200 0.001 0.000 1.042 45 S CB -0.171 63.034 63.200 0.009 0.000 0.915 45 S HN 0.479 nan 8.310 nan 0.000 0.439 46 A N 0.580 123.401 122.820 0.003 0.000 2.070 46 A HA -0.033 4.288 4.320 0.002 0.000 0.220 46 A C 1.719 179.303 177.584 0.001 0.000 1.159 46 A CA 1.330 53.371 52.037 0.008 0.000 0.656 46 A CB -0.248 18.756 19.000 0.007 0.000 0.800 46 A HN 0.499 nan 8.150 nan 0.000 0.453 47 E N -0.649 119.544 120.200 -0.013 0.000 2.499 47 E HA 0.022 4.373 4.350 0.002 0.000 0.199 47 E C 1.394 177.980 176.600 -0.023 0.000 1.016 47 E CA 0.037 56.423 56.400 -0.023 0.000 0.933 47 E CB 0.054 29.728 29.700 -0.043 0.000 1.050 47 E HN 0.865 nan 8.360 nan 0.000 0.462 48 R N 0.010 120.515 120.500 0.008 0.000 2.328 48 R HA -0.059 4.282 4.340 0.002 0.000 0.207 48 R C 0.318 176.628 176.300 0.015 0.000 1.056 48 R CA 1.238 57.357 56.100 0.033 0.000 1.016 48 R CB -0.243 30.110 30.300 0.089 0.000 0.872 48 R HN -0.077 nan 8.270 nan 0.000 0.471 49 D N 0.471 120.870 120.400 -0.002 0.000 2.289 49 D HA -0.015 4.626 4.640 0.002 0.000 0.207 49 D C 1.454 177.709 176.300 -0.074 0.000 0.966 49 D CA 0.623 54.622 54.000 -0.001 0.000 0.868 49 D CB 0.175 40.984 40.800 0.014 0.000 0.943 49 D HN 0.251 nan 8.370 nan 0.000 0.514 50 R N -0.616 119.813 120.500 -0.117 0.000 2.344 50 R HA 0.441 4.782 4.340 0.002 0.000 0.209 50 R C -0.130 176.041 176.300 -0.215 0.000 0.886 50 R CA -0.049 55.974 56.100 -0.128 0.000 1.040 50 R CB 1.433 31.695 30.300 -0.063 0.000 1.114 50 R HN 0.116 nan 8.270 nan 0.000 0.547 51 I N 0.534 120.940 120.570 -0.274 0.000 2.692 51 I HA 0.230 4.401 4.170 0.002 0.000 0.293 51 I C -1.398 174.549 176.117 -0.284 0.000 1.200 51 I CA -0.933 60.207 61.300 -0.266 0.000 1.036 51 I CB 1.808 39.745 38.000 -0.105 0.000 1.258 51 I HN 0.112 nan 8.210 nan 0.000 0.421 52 H N 6.458 125.561 119.070 0.054 0.000 2.640 52 H HA 0.229 4.786 4.556 0.002 0.000 0.297 52 H C -1.171 174.181 175.328 0.041 0.000 1.073 52 H CA -0.319 55.760 56.048 0.051 0.000 1.305 52 H CB 0.691 30.457 29.762 0.005 0.000 1.404 52 H HN 0.421 nan 8.280 nan 0.000 0.459 53 Y N 4.825 125.171 120.300 0.077 0.000 2.335 53 Y HA 0.225 4.776 4.550 0.002 0.000 0.331 53 Y C -0.928 174.949 175.900 -0.039 0.000 1.094 53 Y CA -1.087 57.038 58.100 0.041 0.000 1.253 53 Y CB 0.422 38.951 38.460 0.114 0.000 1.203 53 Y HN 0.496 nan 8.280 nan 0.000 0.508 54 I N 7.431 127.508 120.570 -0.821 0.000 2.354 54 I HA 0.178 4.349 4.170 0.002 0.000 0.286 54 I C -0.326 175.219 176.117 -0.954 0.000 1.007 54 I CA -0.691 60.011 61.300 -0.998 0.000 1.167 54 I CB 1.302 38.834 38.000 -0.778 0.000 1.320 54 I HN 0.636 nan 8.210 nan 0.000 0.458 55 Q N 7.218 126.601 119.800 -0.695 0.000 2.314 55 Q HA 0.379 4.720 4.340 0.002 0.000 0.257 55 Q C -0.778 175.229 176.000 0.010 0.000 0.975 55 Q CA -0.274 55.367 55.803 -0.270 0.000 0.933 55 Q CB 1.541 30.310 28.738 0.051 0.000 1.195 55 Q HN 0.600 nan 8.270 nan 0.000 0.426 56 V N 2.853 122.769 119.914 0.003 0.000 3.234 56 V HA 0.515 4.636 4.120 0.002 0.000 0.317 56 V C 0.675 176.807 176.094 0.064 0.000 1.081 56 V CA -0.689 61.638 62.300 0.045 0.000 1.037 56 V CB 1.464 33.296 31.823 0.015 0.000 1.148 56 V HN 0.741 nan 8.190 nan 0.000 0.453 57 R N -0.228 120.314 120.500 0.070 0.000 2.362 57 R HA 0.319 4.660 4.340 0.002 0.000 0.227 57 R C 0.072 176.443 176.300 0.118 0.000 0.905 57 R CA 0.216 56.364 56.100 0.081 0.000 1.067 57 R CB -0.385 29.955 30.300 0.067 0.000 1.078 57 R HN 0.945 nan 8.270 nan 0.000 0.516 58 H N 0.075 119.131 119.070 -0.023 0.000 3.026 58 H HA 0.190 4.747 4.556 0.002 0.000 0.352 58 H C -0.207 175.082 175.328 -0.066 0.000 1.090 58 H CA -0.265 55.745 56.048 -0.063 0.000 1.268 58 H CB 1.708 31.384 29.762 -0.143 0.000 1.816 58 H HN -0.219 nan 8.280 nan 0.000 0.518 59 E N 2.232 122.483 120.200 0.085 0.000 2.265 59 E HA -0.170 4.181 4.350 0.002 0.000 0.196 59 E C 1.763 178.443 176.600 0.135 0.000 0.996 59 E CA 1.304 57.761 56.400 0.095 0.000 0.832 59 E CB 0.191 29.947 29.700 0.094 0.000 0.756 59 E HN 0.791 nan 8.360 nan 0.000 0.491 60 E N 0.516 120.887 120.200 0.286 0.000 2.110 60 E HA -0.174 4.177 4.350 0.002 0.000 0.193 60 E C 1.813 178.398 176.600 -0.025 0.000 0.988 60 E CA 1.356 57.812 56.400 0.093 0.000 0.804 60 E CB -0.256 29.437 29.700 -0.013 0.000 0.745 60 E HN 0.112 nan 8.360 nan 0.000 0.458 61 V N 1.583 121.469 119.914 -0.048 0.000 2.407 61 V HA -0.183 3.938 4.120 0.002 0.000 0.248 61 V C 2.528 178.489 176.094 -0.222 0.000 1.055 61 V CA 1.946 64.173 62.300 -0.121 0.000 1.049 61 V CB -0.949 30.821 31.823 -0.087 0.000 0.662 61 V HN 0.569 nan 8.190 nan 0.000 0.455 62 G N -0.374 108.322 108.800 -0.174 0.000 2.421 62 G HA2 -0.186 3.775 3.960 0.002 0.000 0.216 62 G HA3 -0.186 3.775 3.960 0.002 0.000 0.216 62 G C 1.757 176.490 174.900 -0.279 0.000 1.171 62 G CA 0.992 45.934 45.100 -0.264 0.000 0.775 62 G HN 0.603 nan 8.290 nan 0.000 0.543 63 A N 0.418 123.161 122.820 -0.128 0.000 1.930 63 A HA 0.115 4.436 4.320 0.002 0.000 0.217 63 A C 2.439 179.949 177.584 -0.124 0.000 1.175 63 A CA 1.630 53.613 52.037 -0.090 0.000 0.627 63 A CB -0.312 18.672 19.000 -0.027 0.000 0.815 63 A HN 0.383 nan 8.150 nan 0.000 0.443 64 M N -0.638 118.880 119.600 -0.137 0.000 2.229 64 M HA -0.096 4.386 4.480 0.002 0.000 0.264 64 M C 2.443 178.639 176.300 -0.173 0.000 1.063 64 M CA 1.268 56.500 55.300 -0.114 0.000 1.114 64 M CB -0.274 32.273 32.600 -0.087 0.000 1.387 64 M HN 0.481 nan 8.290 nan 0.000 0.420 65 A N 0.269 122.872 122.820 -0.361 0.000 1.897 65 A HA 0.043 4.365 4.320 0.002 0.000 0.215 65 A C 2.361 179.750 177.584 -0.325 0.000 1.181 65 A CA 1.582 53.313 52.037 -0.510 0.000 0.620 65 A CB -0.838 17.415 19.000 -1.245 0.000 0.821 65 A HN 0.455 nan 8.150 nan 0.000 0.443 66 A N 0.172 122.823 122.820 -0.282 0.000 1.883 66 A HA 0.091 4.413 4.320 0.002 0.000 0.217 66 A C 2.523 180.106 177.584 -0.000 0.000 1.186 66 A CA 2.307 54.363 52.037 0.032 0.000 0.624 66 A CB -1.117 17.913 19.000 0.050 0.000 0.822 66 A HN 1.075 nan 8.150 nan 0.000 0.444 67 A N -0.217 122.577 122.820 -0.043 0.000 1.908 67 A HA 0.118 4.439 4.320 0.002 0.000 0.218 67 A C 2.525 180.114 177.584 0.008 0.000 1.181 67 A CA 2.303 54.324 52.037 -0.026 0.000 0.627 67 A CB -1.078 17.902 19.000 -0.033 0.000 0.818 67 A HN 1.135 nan 8.150 nan 0.000 0.445 68 A N -0.163 122.663 122.820 0.010 0.000 1.902 68 A HA -0.198 4.124 4.320 0.002 0.000 0.217 68 A C 1.818 179.457 177.584 0.093 0.000 1.181 68 A CA 1.839 53.906 52.037 0.049 0.000 0.623 68 A CB -0.616 18.406 19.000 0.037 0.000 0.818 68 A HN 0.492 nan 8.150 nan 0.000 0.443 69 D N 0.172 120.639 120.400 0.111 0.000 2.106 69 D HA -0.159 4.482 4.640 0.002 0.000 0.191 69 D C 2.306 178.664 176.300 0.098 0.000 0.997 69 D CA 1.833 55.916 54.000 0.140 0.000 0.834 69 D CB -0.486 40.400 40.800 0.142 0.000 0.956 69 D HN 0.415 nan 8.370 nan 0.000 0.448 70 A N 1.185 124.041 122.820 0.060 0.000 1.877 70 A HA -0.227 4.094 4.320 0.002 0.000 0.216 70 A C 2.091 179.722 177.584 0.078 0.000 1.186 70 A CA 1.754 53.822 52.037 0.050 0.000 0.620 70 A CB -0.464 18.537 19.000 0.001 0.000 0.822 70 A HN 0.179 nan 8.150 nan 0.000 0.443 71 K N -0.533 119.911 120.400 0.073 0.000 2.074 71 K HA -0.138 4.183 4.320 0.002 0.000 0.209 71 K C 1.850 178.515 176.600 0.108 0.000 1.048 71 K CA 1.676 58.012 56.287 0.082 0.000 0.926 71 K CB -0.408 32.135 32.500 0.071 0.000 0.713 71 K HN 0.490 nan 8.250 nan 0.000 0.444 72 L N -0.029 121.279 121.223 0.142 0.000 2.095 72 L HA -0.102 4.239 4.340 0.002 0.000 0.204 72 L C 2.457 179.461 176.870 0.224 0.000 1.080 72 L CA 1.466 56.429 54.840 0.206 0.000 0.759 72 L CB -0.337 41.907 42.059 0.308 0.000 0.914 72 L HN 0.348 nan 8.230 nan 0.000 0.439 73 T N -5.158 109.504 114.554 0.180 0.000 3.010 73 T HA 0.272 4.623 4.350 0.002 0.000 0.257 73 T C 1.498 176.281 174.700 0.138 0.000 1.020 73 T CA 0.438 62.637 62.100 0.165 0.000 0.938 73 T CB 0.868 69.803 68.868 0.112 0.000 1.049 73 T HN 0.382 nan 8.240 nan 0.000 0.522 74 G N 1.928 110.809 108.800 0.134 0.000 2.196 74 G HA2 -0.338 3.623 3.960 0.002 0.000 0.268 74 G HA3 -0.338 3.623 3.960 0.002 0.000 0.268 74 G C 0.027 175.056 174.900 0.216 0.000 0.975 74 G CA 0.680 45.871 45.100 0.152 0.000 0.648 74 G HN 0.875 nan 8.290 nan 0.000 0.538 75 K N 0.703 121.208 120.400 0.175 0.000 2.205 75 K HA 0.529 4.851 4.320 0.002 0.000 0.279 75 K C 0.920 177.571 176.600 0.085 0.000 1.027 75 K CA -0.982 55.432 56.287 0.213 0.000 0.932 75 K CB 0.548 33.129 32.500 0.135 0.000 1.032 75 K HN 0.262 nan 8.250 nan 0.000 0.466 76 I N 3.458 124.000 120.570 -0.047 0.000 2.906 76 I HA -0.096 4.075 4.170 0.002 0.000 0.302 76 I C 0.441 176.462 176.117 -0.159 0.000 1.220 76 I CA 0.621 61.734 61.300 -0.310 0.000 1.441 76 I CB 0.345 37.950 38.000 -0.659 0.000 1.336 76 I HN 0.793 nan 8.210 nan 0.000 0.565 77 G N 6.176 114.899 108.800 -0.129 0.000 2.451 77 G HA2 0.560 4.521 3.960 0.002 0.000 0.303 77 G HA3 0.560 4.521 3.960 0.002 0.000 0.303 77 G C -1.189 173.678 174.900 -0.055 0.000 1.166 77 G CA -0.464 44.605 45.100 -0.052 0.000 0.884 77 G HN 0.538 nan 8.290 nan 0.000 0.514 78 V N 0.305 120.228 119.914 0.015 0.000 2.623 78 V HA 0.534 4.655 4.120 0.002 0.000 0.304 78 V C 0.094 176.274 176.094 0.143 0.000 1.054 78 V CA -0.784 61.530 62.300 0.023 0.000 0.882 78 V CB 0.940 32.751 31.823 -0.020 0.000 1.002 78 V HN 1.237 nan 8.190 nan 0.000 0.424 79 C N 3.298 122.674 119.300 0.126 0.000 3.154 79 C HA 1.044 5.505 4.460 0.002 0.000 0.312 79 C C -0.888 174.206 174.990 0.175 0.000 1.349 79 C CA -0.981 58.115 59.018 0.131 0.000 1.518 79 C CB 1.421 29.198 27.740 0.062 0.000 1.934 79 C HN 1.036 nan 8.230 nan 0.000 0.462 80 F N -0.909 119.078 119.950 0.061 0.000 2.711 80 F HA 0.946 5.473 4.527 0.001 0.000 0.313 80 F C -0.357 175.456 175.800 0.022 0.000 1.141 80 F CA -0.384 57.615 58.000 -0.001 0.000 0.941 80 F CB 1.269 40.248 39.000 -0.034 0.000 1.349 80 F HN 1.208 nan 8.300 nan 0.000 0.464 81 G N 0.259 109.242 108.800 0.306 0.000 2.718 81 G HA2 0.551 4.512 3.960 0.002 0.000 0.295 81 G HA3 0.551 4.512 3.960 0.002 0.000 0.295 81 G C -1.376 173.620 174.900 0.160 0.000 1.421 81 G CA -0.463 44.753 45.100 0.194 0.000 0.902 81 G HN 1.128 nan 8.290 nan 0.000 0.501 82 S N 0.201 115.970 115.700 0.116 0.000 2.596 82 S HA 0.629 5.100 4.470 0.002 0.000 0.260 82 S C 1.016 175.584 174.600 -0.053 0.000 1.336 82 S CA 0.264 58.475 58.200 0.019 0.000 0.993 82 S CB 1.002 64.221 63.200 0.031 0.000 0.923 82 S HN 2.002 nan 8.310 nan 0.000 0.567 83 A N 1.165 123.885 122.820 -0.166 0.000 2.507 83 A HA 0.530 4.852 4.320 0.002 0.000 0.235 83 A C 1.513 179.036 177.584 -0.101 0.000 1.070 83 A CA 0.309 52.212 52.037 -0.223 0.000 0.768 83 A CB -1.467 17.186 19.000 -0.579 0.000 1.011 83 A HN 2.500 nan 8.150 nan 0.000 0.502 84 G N 1.586 110.356 108.800 -0.049 0.000 2.543 84 G HA2 -0.272 3.689 3.960 0.002 0.000 0.286 84 G HA3 -0.272 3.689 3.960 0.002 0.000 0.286 84 G C -0.691 174.195 174.900 -0.024 0.000 1.153 84 G CA 0.438 45.531 45.100 -0.012 0.000 0.968 84 G HN 0.898 nan 8.290 nan 0.000 0.544 85 P HA 0.024 nan 4.420 nan 0.000 0.223 85 P C 1.859 179.035 177.300 -0.207 0.000 1.151 85 P CA 2.290 65.292 63.100 -0.164 0.000 0.787 85 P CB -0.568 31.017 31.700 -0.192 0.000 0.788 86 G N 0.757 109.505 108.800 -0.086 0.000 2.404 86 G HA2 -0.171 3.790 3.960 0.002 0.000 0.215 86 G HA3 -0.171 3.790 3.960 0.002 0.000 0.215 86 G C 1.855 176.789 174.900 0.056 0.000 1.174 86 G CA 0.871 45.961 45.100 -0.017 0.000 0.780 86 G HN 0.360 nan 8.290 nan 0.000 0.537 87 G N 0.468 109.318 108.800 0.082 0.000 2.408 87 G HA2 -0.115 3.846 3.960 0.002 0.000 0.217 87 G HA3 -0.115 3.846 3.960 0.002 0.000 0.217 87 G C 1.986 177.035 174.900 0.248 0.000 1.150 87 G CA 2.059 47.269 45.100 0.183 0.000 0.776 87 G HN 0.568 nan 8.290 nan 0.000 0.542 88 T N -2.356 112.276 114.554 0.131 0.000 2.951 88 T HA -0.061 4.290 4.350 0.002 0.000 0.268 88 T C 1.903 176.702 174.700 0.165 0.000 1.073 88 T CA 1.319 63.468 62.100 0.082 0.000 1.134 88 T CB -0.631 68.233 68.868 -0.007 0.000 0.884 88 T HN 0.527 nan 8.240 nan 0.000 0.479 89 H N 0.841 119.954 119.070 0.071 0.000 2.457 89 H HA 0.097 4.654 4.556 0.002 0.000 0.297 89 H C 1.960 177.377 175.328 0.148 0.000 1.092 89 H CA 0.901 57.011 56.048 0.103 0.000 1.309 89 H CB -0.220 29.526 29.762 -0.028 0.000 1.382 89 H HN 0.308 nan 8.280 nan 0.000 0.535 90 L N -0.087 121.281 121.223 0.240 0.000 2.265 90 L HA -0.215 4.126 4.340 0.002 0.000 0.215 90 L C 2.227 179.184 176.870 0.145 0.000 1.117 90 L CA 0.190 55.127 54.840 0.162 0.000 0.782 90 L CB -0.269 41.876 42.059 0.144 0.000 0.914 90 L HN 0.386 nan 8.230 nan 0.000 0.441 91 M N -0.030 119.678 119.600 0.180 0.000 2.082 91 M HA -0.241 4.240 4.480 0.002 0.000 0.258 91 M C 1.935 178.374 176.300 0.232 0.000 1.069 91 M CA 1.830 57.252 55.300 0.203 0.000 1.102 91 M CB -1.387 31.353 32.600 0.232 0.000 1.336 91 M HN 0.280 nan 8.290 nan 0.000 0.404 92 N N 0.095 118.925 118.700 0.217 0.000 2.166 92 N HA -0.076 4.665 4.740 0.002 0.000 0.186 92 N C 1.760 177.368 175.510 0.163 0.000 1.019 92 N CA 1.560 54.773 53.050 0.271 0.000 0.856 92 N CB -0.615 38.012 38.487 0.233 0.000 0.993 92 N HN 0.496 nan 8.380 nan 0.000 0.426 93 G N 0.419 109.264 108.800 0.074 0.000 2.394 93 G HA2 -0.115 3.846 3.960 0.002 0.000 0.215 93 G HA3 -0.115 3.846 3.960 0.002 0.000 0.215 93 G C 1.429 176.298 174.900 -0.052 0.000 1.165 93 G CA 0.309 45.413 45.100 0.007 0.000 0.784 93 G HN 0.200 nan 8.290 nan 0.000 0.535 94 L N -1.048 120.128 121.223 -0.078 0.000 2.046 94 L HA -0.062 4.280 4.340 0.002 0.000 0.208 94 L C 2.658 179.311 176.870 -0.361 0.000 1.077 94 L CA 0.963 55.685 54.840 -0.197 0.000 0.747 94 L CB -0.545 41.395 42.059 -0.198 0.000 0.896 94 L HN 0.141 nan 8.230 nan 0.000 0.432 95 Y N 0.332 120.389 120.300 -0.404 0.000 2.242 95 Y HA -0.269 4.282 4.550 0.002 0.000 0.291 95 Y C 2.426 177.911 175.900 -0.691 0.000 1.137 95 Y CA 1.698 59.337 58.100 -0.769 0.000 1.181 95 Y CB -0.380 37.141 38.460 -1.566 0.000 0.989 95 Y HN 0.258 nan 8.280 nan 0.000 0.527 96 D N -0.306 119.925 120.400 -0.282 0.000 2.104 96 D HA -0.226 4.415 4.640 0.002 0.000 0.194 96 D C 2.235 178.494 176.300 -0.068 0.000 0.994 96 D CA 1.562 55.552 54.000 -0.017 0.000 0.830 96 D CB -0.263 40.596 40.800 0.098 0.000 0.959 96 D HN 0.243 nan 8.370 nan 0.000 0.452 97 A N 0.402 123.153 122.820 -0.114 0.000 1.877 97 A HA -0.201 4.120 4.320 0.002 0.000 0.216 97 A C 2.316 179.790 177.584 -0.183 0.000 1.186 97 A CA 1.863 53.827 52.037 -0.122 0.000 0.620 97 A CB -0.786 18.137 19.000 -0.128 0.000 0.822 97 A HN 0.275 nan 8.150 nan 0.000 0.443 98 R N -0.585 119.762 120.500 -0.254 0.000 2.083 98 R HA -0.173 4.168 4.340 0.002 0.000 0.237 98 R C 1.956 178.009 176.300 -0.412 0.000 1.137 98 R CA 1.842 57.754 56.100 -0.314 0.000 0.951 98 R CB -0.197 29.904 30.300 -0.332 0.000 0.851 98 R HN 0.505 nan 8.270 nan 0.000 0.434 99 E N 0.328 120.373 120.200 -0.258 0.000 2.112 99 E HA -0.109 4.242 4.350 0.002 0.000 0.190 99 E C 1.342 177.877 176.600 -0.109 0.000 0.979 99 E CA 0.857 57.154 56.400 -0.171 0.000 0.814 99 E CB -0.118 29.606 29.700 0.040 0.000 0.762 99 E HN 0.382 nan 8.360 nan 0.000 0.460 100 D N 0.026 120.400 120.400 -0.044 0.000 2.363 100 D HA -0.033 4.608 4.640 0.002 0.000 0.226 100 D C -0.425 175.942 176.300 0.112 0.000 1.020 100 D CA 0.305 54.341 54.000 0.060 0.000 0.892 100 D CB -0.315 40.520 40.800 0.058 0.000 0.900 100 D HN 0.261 nan 8.370 nan 0.000 0.531 101 H N -1.722 117.356 119.070 0.012 0.000 2.827 101 H HA -0.125 4.432 4.556 0.002 0.000 0.330 101 H C -0.500 174.837 175.328 0.015 0.000 1.236 101 H CA 0.443 56.499 56.048 0.014 0.000 1.165 101 H CB -1.748 28.029 29.762 0.026 0.000 1.532 101 H HN 0.039 nan 8.280 nan 0.000 0.434 102 V N -1.902 118.032 119.914 0.033 0.000 2.823 102 V HA 0.780 4.901 4.120 0.002 0.000 0.312 102 V C -2.521 173.544 176.094 -0.049 0.000 1.072 102 V CA -2.464 59.848 62.300 0.021 0.000 0.937 102 V CB 2.976 34.814 31.823 0.025 0.000 1.013 102 V HN 0.044 nan 8.190 nan 0.000 0.430 103 P HA 0.440 nan 4.420 nan 0.000 0.281 103 P C -0.885 176.277 177.300 -0.231 0.000 1.252 103 P CA -0.088 62.881 63.100 -0.217 0.000 0.778 103 P CB 1.627 33.060 31.700 -0.445 0.000 0.895 104 V N 4.606 124.388 119.914 -0.220 0.000 2.808 104 V HA 0.305 4.426 4.120 0.002 0.000 0.308 104 V C -0.360 175.616 176.094 -0.197 0.000 1.099 104 V CA -0.814 61.377 62.300 -0.182 0.000 0.920 104 V CB 2.390 34.138 31.823 -0.125 0.000 1.014 104 V HN 0.402 nan 8.190 nan 0.000 0.425 105 L N 4.375 125.488 121.223 -0.183 0.000 2.296 105 L HA 0.951 5.292 4.340 0.002 0.000 0.286 105 L C 0.022 176.830 176.870 -0.104 0.000 1.023 105 L CA -0.007 54.734 54.840 -0.166 0.000 0.812 105 L CB 1.308 43.249 42.059 -0.198 0.000 1.223 105 L HN 0.804 nan 8.230 nan 0.000 0.421 106 A N 6.323 129.077 122.820 -0.109 0.000 2.331 106 A HA 0.757 5.078 4.320 0.002 0.000 0.320 106 A C -1.221 176.296 177.584 -0.111 0.000 1.138 106 A CA -0.584 51.401 52.037 -0.087 0.000 0.790 106 A CB 0.769 19.691 19.000 -0.130 0.000 1.206 106 A HN 0.728 nan 8.150 nan 0.000 0.470 107 L N 3.619 124.820 121.223 -0.038 0.000 2.307 107 L HA 0.522 4.863 4.340 0.002 0.000 0.284 107 L C -0.807 176.018 176.870 -0.076 0.000 1.023 107 L CA -0.726 54.065 54.840 -0.081 0.000 0.810 107 L CB 1.437 43.452 42.059 -0.074 0.000 1.231 107 L HN 0.486 nan 8.230 nan 0.000 0.423 108 I N 1.980 122.448 120.570 -0.169 0.000 2.474 108 I HA 0.427 4.598 4.170 0.002 0.000 0.294 108 I C 0.732 176.750 176.117 -0.167 0.000 1.005 108 I CA -0.383 60.817 61.300 -0.166 0.000 1.113 108 I CB 1.459 39.289 38.000 -0.283 0.000 1.289 108 I HN 0.563 nan 8.210 nan 0.000 0.436 109 G N 3.766 112.475 108.800 -0.152 0.000 2.539 109 G HA2 0.432 4.393 3.960 0.002 0.000 0.258 109 G HA3 0.432 4.393 3.960 0.002 0.000 0.258 109 G C -0.614 174.121 174.900 -0.274 0.000 1.202 109 G CA 0.060 45.030 45.100 -0.217 0.000 0.851 109 G HN 0.587 nan 8.290 nan 0.000 0.556 110 Q N -0.695 118.917 119.800 -0.314 0.000 2.462 110 Q HA 0.546 4.887 4.340 0.002 0.000 0.285 110 Q C -1.089 174.688 176.000 -0.373 0.000 1.035 110 Q CA -0.809 54.765 55.803 -0.382 0.000 0.799 110 Q CB 1.164 29.786 28.738 -0.194 0.000 1.452 110 Q HN 0.435 nan 8.270 nan 0.000 0.404 111 F N 0.562 120.505 119.950 -0.012 0.000 2.490 111 F HA 0.493 5.021 4.527 0.001 0.000 0.336 111 F C 1.527 177.328 175.800 0.001 0.000 1.178 111 F CA 0.438 58.438 58.000 -0.001 0.000 1.301 111 F CB 0.617 39.623 39.000 0.009 0.000 1.175 111 F HN 0.611 nan 8.300 nan 0.000 0.593 112 G N -0.086 108.854 108.800 0.235 0.000 2.544 112 G HA2 0.244 4.206 3.960 0.002 0.000 0.242 112 G HA3 0.244 4.206 3.960 0.002 0.000 0.242 112 G C 0.905 175.866 174.900 0.103 0.000 1.247 112 G CA -0.105 45.075 45.100 0.133 0.000 0.840 112 G HN 0.832 nan 8.290 nan 0.000 0.578 113 T N -1.625 112.970 114.554 0.069 0.000 3.052 113 T HA -0.168 4.183 4.350 0.002 0.000 0.270 113 T C 2.050 176.781 174.700 0.052 0.000 1.147 113 T CA 1.956 64.087 62.100 0.053 0.000 1.089 113 T CB -0.497 68.394 68.868 0.037 0.000 0.875 113 T HN 0.576 nan 8.240 nan 0.000 0.541 114 T N -0.517 114.072 114.554 0.059 0.000 2.837 114 T HA 0.241 4.593 4.350 0.002 0.000 0.248 114 T C 2.207 176.930 174.700 0.039 0.000 1.033 114 T CA 0.680 62.808 62.100 0.046 0.000 1.150 114 T CB -0.973 67.921 68.868 0.044 0.000 0.865 114 T HN 0.410 nan 8.240 nan 0.000 0.425 115 G N 0.748 109.575 108.800 0.044 0.000 3.181 115 G HA2 0.372 4.333 3.960 0.002 0.000 0.219 115 G HA3 0.372 4.333 3.960 0.002 0.000 0.219 115 G C 0.453 175.369 174.900 0.026 0.000 1.182 115 G CA -0.491 44.620 45.100 0.019 0.000 0.791 115 G HN 0.397 nan 8.290 nan 0.000 0.537 123 E N 2.293 122.558 120.200 0.108 0.000 2.598 123 E HA 0.288 4.639 4.350 0.002 0.000 0.233 123 E C -0.371 176.298 176.600 0.114 0.000 1.173 123 E CA -0.141 56.340 56.400 0.135 0.000 1.473 123 E CB 0.164 29.907 29.700 0.072 0.000 1.398 123 E HN 0.603 nan 8.360 nan 0.000 0.431 124 M N 0.939 120.609 119.600 0.116 0.000 2.252 124 M HA 0.044 4.525 4.480 0.002 0.000 0.333 124 M C 0.467 176.799 176.300 0.053 0.000 1.111 124 M CA -0.004 55.336 55.300 0.067 0.000 1.140 124 M CB 0.374 33.006 32.600 0.055 0.000 1.538 124 M HN 0.015 nan 8.290 nan 0.000 0.448 125 N N 2.430 121.152 118.700 0.036 0.000 2.405 125 N HA 0.023 4.764 4.740 0.002 0.000 0.260 125 N C 0.147 175.674 175.510 0.029 0.000 1.152 125 N CA 0.412 53.478 53.050 0.027 0.000 0.948 125 N CB 0.525 39.023 38.487 0.017 0.000 1.111 125 N HN 0.568 nan 8.380 nan 0.000 0.485 126 E N 2.095 122.318 120.200 0.039 0.000 2.276 126 E HA -0.081 4.270 4.350 0.002 0.000 0.193 126 E C 1.056 177.740 176.600 0.139 0.000 0.983 126 E CA -0.036 56.415 56.400 0.086 0.000 0.861 126 E CB 0.079 29.834 29.700 0.091 0.000 0.817 126 E HN 0.629 nan 8.360 nan 0.000 0.485 127 N N 1.576 120.323 118.700 0.078 0.000 2.094 127 N HA -0.127 4.614 4.740 0.002 0.000 0.191 127 N C -0.967 174.585 175.510 0.070 0.000 1.023 127 N CA 1.304 54.398 53.050 0.075 0.000 0.857 127 N CB -0.460 38.030 38.487 0.005 0.000 1.013 127 N HN 0.092 nan 8.380 nan 0.000 0.426 128 P HA 0.012 nan 4.420 nan 0.000 0.223 128 P C 1.450 178.714 177.300 -0.059 0.000 1.151 128 P CA 0.655 63.748 63.100 -0.012 0.000 0.787 128 P CB -0.042 31.648 31.700 -0.017 0.000 0.788 129 I N -2.171 118.330 120.570 -0.115 0.000 2.335 129 I HA -0.238 3.933 4.170 0.002 0.000 0.251 129 I C 1.305 177.082 176.117 -0.567 0.000 1.129 129 I CA 1.660 62.733 61.300 -0.378 0.000 1.402 129 I CB -0.557 37.106 38.000 -0.561 0.000 1.069 129 I HN -0.008 nan 8.210 nan 0.000 0.424 130 Y N -0.292 119.978 120.300 -0.051 0.000 2.507 130 Y HA 0.396 4.948 4.550 0.002 0.000 0.254 130 Y C 2.142 177.983 175.900 -0.098 0.000 1.171 130 Y CA 0.145 58.194 58.100 -0.085 0.000 1.238 130 Y CB -0.236 38.163 38.460 -0.102 0.000 1.148 130 Y HN -0.011 nan 8.280 nan 0.000 0.525 131 A N 0.161 122.986 122.820 0.009 0.000 1.972 131 A HA -0.228 4.093 4.320 0.002 0.000 0.219 131 A C 1.774 179.341 177.584 -0.028 0.000 1.169 131 A CA 2.271 54.300 52.037 -0.013 0.000 0.635 131 A CB -0.441 18.548 19.000 -0.018 0.000 0.810 131 A HN 0.458 nan 8.150 nan 0.000 0.446 132 D N -1.328 119.060 120.400 -0.021 0.000 2.162 132 D HA -0.067 4.574 4.640 0.002 0.000 0.205 132 D C 1.707 177.968 176.300 -0.065 0.000 0.964 132 D CA 1.172 55.175 54.000 0.004 0.000 0.847 132 D CB -0.000 40.850 40.800 0.084 0.000 0.988 132 D HN 0.072 nan 8.370 nan 0.000 0.480 133 V N -0.105 119.683 119.914 -0.210 0.000 2.667 133 V HA 0.237 4.358 4.120 0.002 0.000 0.252 133 V C 0.808 176.716 176.094 -0.311 0.000 1.065 133 V CA 1.059 63.042 62.300 -0.528 0.000 1.083 133 V CB -0.364 30.866 31.823 -0.989 0.000 0.692 133 V HN 0.323 nan 8.190 nan 0.000 0.468 134 A N -0.446 122.270 122.820 -0.174 0.000 2.306 134 A HA 0.394 4.715 4.320 0.002 0.000 0.314 134 A C 0.664 178.168 177.584 -0.133 0.000 1.164 134 A CA -0.210 51.745 52.037 -0.137 0.000 0.822 134 A CB 0.484 19.435 19.000 -0.080 0.000 1.130 134 A HN 0.403 nan 8.150 nan 0.000 0.496 135 D N -0.619 119.689 120.400 -0.154 0.000 2.348 135 D HA 0.053 4.694 4.640 0.002 0.000 0.211 135 D C -0.935 175.271 176.300 -0.157 0.000 0.998 135 D CA 1.553 55.411 54.000 -0.236 0.000 0.873 135 D CB 0.248 40.804 40.800 -0.406 0.000 0.925 135 D HN 0.523 nan 8.370 nan 0.000 0.524 136 Y N 0.787 120.956 120.300 -0.217 0.000 2.362 136 Y HA 0.323 4.874 4.550 0.002 0.000 0.326 136 Y C -1.542 174.277 175.900 -0.135 0.000 1.083 136 Y CA -1.102 56.898 58.100 -0.167 0.000 1.073 136 Y CB 1.251 39.614 38.460 -0.162 0.000 1.211 136 Y HN -0.334 nan 8.280 nan 0.000 0.433 137 N N 5.361 123.800 118.700 -0.436 0.000 2.675 137 N HA 0.438 5.179 4.740 0.002 0.000 0.254 137 N C -2.177 173.114 175.510 -0.366 0.000 1.224 137 N CA -0.336 52.542 53.050 -0.288 0.000 0.777 137 N CB 1.078 39.483 38.487 -0.135 0.000 1.256 137 N HN 0.522 nan 8.380 nan 0.000 0.531 138 V N -0.057 119.616 119.914 -0.402 0.000 2.823 138 V HA 0.738 4.859 4.120 0.002 0.000 0.312 138 V C -0.036 175.955 176.094 -0.171 0.000 1.072 138 V CA -0.592 61.526 62.300 -0.303 0.000 0.937 138 V CB 1.627 33.218 31.823 -0.386 0.000 1.013 138 V HN 0.341 nan 8.190 nan 0.000 0.430 139 T N 3.911 118.393 114.554 -0.120 0.000 2.743 139 T HA 0.659 5.010 4.350 0.002 0.000 0.293 139 T C 0.464 175.126 174.700 -0.063 0.000 0.945 139 T CA 0.431 62.480 62.100 -0.086 0.000 1.030 139 T CB 0.943 69.775 68.868 -0.061 0.000 0.912 139 T HN 1.426 nan 8.240 nan 0.000 0.483 140 A N 2.766 125.551 122.820 -0.059 0.000 2.546 140 A HA 0.307 4.628 4.320 0.002 0.000 0.243 140 A C 1.445 179.017 177.584 -0.021 0.000 1.063 140 A CA -0.333 51.685 52.037 -0.032 0.000 0.757 140 A CB -0.020 18.954 19.000 -0.043 0.000 0.991 140 A HN 1.026 nan 8.150 nan 0.000 0.503 141 V N 0.166 120.079 119.914 -0.001 0.000 3.645 141 V HA 0.313 4.434 4.120 0.002 0.000 0.275 141 V C 0.382 176.484 176.094 0.014 0.000 1.356 141 V CA 0.635 62.937 62.300 0.005 0.000 1.051 141 V CB -0.593 31.235 31.823 0.009 0.000 0.828 141 V HN 0.858 nan 8.190 nan 0.000 0.441 142 N N -0.111 118.600 118.700 0.018 0.000 2.455 142 N HA 0.453 5.194 4.740 0.002 0.000 0.285 142 N C 0.726 176.251 175.510 0.025 0.000 1.080 142 N CA 0.398 53.465 53.050 0.027 0.000 0.932 142 N CB 2.417 40.927 38.487 0.037 0.000 1.610 142 N HN 0.107 nan 8.380 nan 0.000 0.493 143 A N 3.111 125.945 122.820 0.023 0.000 1.978 143 A HA -0.053 4.268 4.320 0.002 0.000 0.220 143 A C 1.970 179.571 177.584 0.028 0.000 1.170 143 A CA 2.162 54.208 52.037 0.014 0.000 0.636 143 A CB -0.536 18.477 19.000 0.021 0.000 0.810 143 A HN 0.764 nan 8.150 nan 0.000 0.448 144 A N -0.602 122.250 122.820 0.053 0.000 1.968 144 A HA 0.010 4.331 4.320 0.002 0.000 0.217 144 A C 2.257 179.910 177.584 0.114 0.000 1.169 144 A CA 2.065 54.154 52.037 0.087 0.000 0.638 144 A CB -0.915 18.136 19.000 0.084 0.000 0.812 144 A HN 0.733 nan 8.150 nan 0.000 0.446 145 T N -2.699 111.916 114.554 0.102 0.000 3.081 145 T HA 0.094 4.445 4.350 0.002 0.000 0.250 145 T C 1.588 176.373 174.700 0.141 0.000 1.100 145 T CA 0.676 62.867 62.100 0.152 0.000 1.038 145 T CB -0.228 68.728 68.868 0.148 0.000 0.962 145 T HN 0.133 nan 8.240 nan 0.000 0.516 146 L N 2.903 124.165 121.223 0.064 0.000 1.997 146 L HA 0.003 4.344 4.340 0.002 0.000 0.216 146 L C -0.931 175.940 176.870 0.002 0.000 1.074 146 L CA 2.211 57.057 54.840 0.010 0.000 0.763 146 L CB -1.382 40.650 42.059 -0.044 0.000 0.890 146 L HN 0.146 nan 8.230 nan 0.000 0.434 147 P HA -0.190 nan 4.420 nan 0.000 0.217 147 P C 1.547 178.930 177.300 0.137 0.000 1.150 147 P CA 1.693 64.780 63.100 -0.022 0.000 0.832 147 P CB -0.390 31.220 31.700 -0.150 0.000 0.787 148 H N -0.067 119.089 119.070 0.144 0.000 2.357 148 H HA -0.066 4.491 4.556 0.002 0.000 0.301 148 H C 1.621 177.017 175.328 0.114 0.000 1.082 148 H CA 1.269 57.416 56.048 0.165 0.000 1.342 148 H CB -0.293 29.567 29.762 0.163 0.000 1.389 148 H HN -0.140 nan 8.280 nan 0.000 0.511 149 V N 1.751 121.653 119.914 -0.020 0.000 2.332 149 V HA -0.272 3.849 4.120 0.002 0.000 0.248 149 V C 2.820 178.873 176.094 -0.069 0.000 1.055 149 V CA 1.425 63.703 62.300 -0.038 0.000 1.038 149 V CB -0.506 31.352 31.823 0.059 0.000 0.651 149 V HN 0.398 nan 8.190 nan 0.000 0.450 150 I N 0.388 120.922 120.570 -0.060 0.000 2.252 150 I HA -0.210 3.961 4.170 0.002 0.000 0.245 150 I C 2.352 178.393 176.117 -0.125 0.000 1.102 150 I CA 2.089 63.336 61.300 -0.090 0.000 1.385 150 I CB -1.245 36.705 38.000 -0.083 0.000 1.064 150 I HN 0.435 nan 8.210 nan 0.000 0.414 151 D N 0.674 121.048 120.400 -0.043 0.000 2.117 151 D HA -0.257 4.384 4.640 0.002 0.000 0.197 151 D C 2.108 178.350 176.300 -0.097 0.000 0.987 151 D CA 1.237 55.280 54.000 0.071 0.000 0.829 151 D CB 0.172 41.116 40.800 0.240 0.000 0.961 151 D HN 0.153 nan 8.370 nan 0.000 0.460 152 E N -0.066 119.966 120.200 -0.281 0.000 2.110 152 E HA -0.087 4.264 4.350 0.002 0.000 0.193 152 E C 1.841 178.051 176.600 -0.651 0.000 0.988 152 E CA 1.319 57.473 56.400 -0.409 0.000 0.804 152 E CB -0.524 28.884 29.700 -0.488 0.000 0.745 152 E HN 0.321 nan 8.360 nan 0.000 0.458 153 A N 0.548 122.976 122.820 -0.654 0.000 1.877 153 A HA -0.163 4.158 4.320 0.002 0.000 0.216 153 A C 2.354 179.636 177.584 -0.504 0.000 1.186 153 A CA 1.608 53.239 52.037 -0.677 0.000 0.620 153 A CB -0.754 18.119 19.000 -0.213 0.000 0.822 153 A HN 0.351 nan 8.150 nan 0.000 0.443 154 I N -0.941 119.336 120.570 -0.488 0.000 2.179 154 I HA -0.291 3.880 4.170 0.002 0.000 0.242 154 I C 2.800 178.585 176.117 -0.554 0.000 1.088 154 I CA 1.525 62.436 61.300 -0.648 0.000 1.357 154 I CB -0.374 37.009 38.000 -1.028 0.000 1.051 154 I HN 0.303 nan 8.210 nan 0.000 0.409 155 R N 0.222 120.492 120.500 -0.383 0.000 2.091 155 R HA -0.124 4.218 4.340 0.002 0.000 0.238 155 R C 2.456 178.714 176.300 -0.071 0.000 1.136 155 R CA 1.086 57.119 56.100 -0.111 0.000 0.959 155 R CB -0.237 30.073 30.300 0.017 0.000 0.856 155 R HN 0.309 nan 8.270 nan 0.000 0.437 156 R N 0.198 120.584 120.500 -0.190 0.000 2.090 156 R HA 0.027 4.368 4.340 0.002 0.000 0.228 156 R C 2.214 178.531 176.300 0.030 0.000 1.110 156 R CA 1.247 57.312 56.100 -0.059 0.000 0.973 156 R CB -0.589 29.560 30.300 -0.252 0.000 0.869 156 R HN 0.216 nan 8.270 nan 0.000 0.440 157 A N 0.537 123.265 122.820 -0.153 0.000 1.883 157 A HA -0.193 4.128 4.320 0.002 0.000 0.217 157 A C 1.950 179.464 177.584 -0.118 0.000 1.186 157 A CA 1.248 53.180 52.037 -0.174 0.000 0.624 157 A CB -0.724 18.072 19.000 -0.340 0.000 0.822 157 A HN 0.242 nan 8.150 nan 0.000 0.444 158 Y N -0.092 120.140 120.300 -0.113 0.000 2.145 158 Y HA -0.103 4.448 4.550 0.002 0.000 0.286 158 Y C 2.984 178.872 175.900 -0.020 0.000 1.145 158 Y CA 0.743 58.803 58.100 -0.066 0.000 1.148 158 Y CB -0.879 37.530 38.460 -0.086 0.000 0.981 158 Y HN 0.328 nan 8.280 nan 0.000 0.507 159 A N -0.451 122.458 122.820 0.148 0.000 1.883 159 A HA -0.258 4.064 4.320 0.002 0.000 0.217 159 A C 1.612 179.152 177.584 -0.075 0.000 1.186 159 A CA 2.339 54.388 52.037 0.020 0.000 0.624 159 A CB -1.017 17.970 19.000 -0.022 0.000 0.822 159 A HN 0.611 nan 8.150 nan 0.000 0.444 160 H N -1.237 117.855 119.070 0.036 0.000 2.553 160 H HA 0.168 4.725 4.556 0.002 0.000 0.265 160 H C -0.104 175.262 175.328 0.065 0.000 0.964 160 H CA 0.489 56.563 56.048 0.043 0.000 1.156 160 H CB 0.300 30.076 29.762 0.022 0.000 1.411 160 H HN 0.349 nan 8.280 nan 0.000 0.558 161 Q N 0.300 120.190 119.800 0.149 0.000 2.443 161 Q HA -0.148 4.193 4.340 0.002 0.000 0.337 161 Q C 0.339 176.389 176.000 0.084 0.000 1.401 161 Q CA 1.152 57.027 55.803 0.120 0.000 0.943 161 Q CB -1.547 27.285 28.738 0.157 0.000 1.177 161 Q HN 0.755 nan 8.270 nan 0.000 0.394 162 G N -2.085 106.722 108.800 0.012 0.000 2.731 162 G HA2 0.583 4.544 3.960 0.002 0.000 0.309 162 G HA3 0.583 4.544 3.960 0.002 0.000 0.309 162 G C -1.002 173.826 174.900 -0.119 0.000 1.273 162 G CA -0.279 44.784 45.100 -0.062 0.000 0.798 162 G HN 0.097 nan 8.290 nan 0.000 0.509 163 V N 0.869 120.694 119.914 -0.149 0.000 2.465 163 V HA 0.637 4.758 4.120 0.002 0.000 0.279 163 V C 0.555 176.570 176.094 -0.131 0.000 1.045 163 V CA -0.097 62.107 62.300 -0.160 0.000 0.938 163 V CB 0.812 32.519 31.823 -0.193 0.000 0.986 163 V HN 1.131 nan 8.190 nan 0.000 0.467 164 A N 4.879 127.623 122.820 -0.126 0.000 2.342 164 A HA 0.866 5.187 4.320 0.002 0.000 0.323 164 A C -0.882 176.659 177.584 -0.073 0.000 1.125 164 A CA -0.536 51.469 52.037 -0.053 0.000 0.785 164 A CB 1.612 20.563 19.000 -0.081 0.000 1.221 164 A HN 0.646 nan 8.150 nan 0.000 0.463 165 V N 2.565 122.446 119.914 -0.056 0.000 2.588 165 V HA 0.546 4.667 4.120 0.002 0.000 0.304 165 V C -0.701 175.303 176.094 -0.151 0.000 1.042 165 V CA -0.482 61.714 62.300 -0.173 0.000 0.877 165 V CB 1.798 33.446 31.823 -0.293 0.000 0.996 165 V HN 0.686 nan 8.190 nan 0.000 0.425 166 V N 4.484 124.297 119.914 -0.169 0.000 2.483 166 V HA 0.456 4.577 4.120 0.002 0.000 0.297 166 V C -0.550 175.432 176.094 -0.187 0.000 1.027 166 V CA -0.776 61.441 62.300 -0.140 0.000 0.855 166 V CB 1.842 33.620 31.823 -0.074 0.000 0.995 166 V HN 0.941 nan 8.190 nan 0.000 0.424 167 Q N 4.259 123.951 119.800 -0.181 0.000 2.243 167 Q HA 0.671 5.012 4.340 0.002 0.000 0.252 167 Q C -0.749 175.167 176.000 -0.140 0.000 0.909 167 Q CA 0.100 55.800 55.803 -0.172 0.000 0.922 167 Q CB 1.950 30.602 28.738 -0.142 0.000 1.215 167 Q HN 0.683 nan 8.270 nan 0.000 0.427 168 I N 4.029 124.507 120.570 -0.154 0.000 2.466 168 I HA 0.310 4.481 4.170 0.002 0.000 0.279 168 I C -2.374 173.655 176.117 -0.147 0.000 1.033 168 I CA -2.470 58.742 61.300 -0.147 0.000 1.123 168 I CB 1.770 39.661 38.000 -0.181 0.000 1.237 168 I HN 0.333 nan 8.210 nan 0.000 0.460 169 P HA -0.055 nan 4.420 nan 0.000 0.262 169 P C 0.921 178.170 177.300 -0.086 0.000 1.182 169 P CA 0.218 63.275 63.100 -0.072 0.000 0.761 169 P CB 1.099 32.785 31.700 -0.024 0.000 0.795 170 V N 3.307 123.176 119.914 -0.074 0.000 2.759 170 V HA -0.194 3.927 4.120 0.002 0.000 0.256 170 V C 1.492 177.534 176.094 -0.087 0.000 1.080 170 V CA 2.341 64.559 62.300 -0.137 0.000 1.101 170 V CB -0.842 30.932 31.823 -0.081 0.000 0.698 170 V HN 0.608 nan 8.190 nan 0.000 0.477 171 D N -0.653 119.780 120.400 0.054 0.000 2.234 171 D HA -0.155 4.486 4.640 0.002 0.000 0.205 171 D C 2.013 178.377 176.300 0.107 0.000 0.962 171 D CA 0.964 55.067 54.000 0.171 0.000 0.855 171 D CB -0.444 40.446 40.800 0.150 0.000 0.951 171 D HN 0.483 nan 8.370 nan 0.000 0.500 172 L N 0.357 121.584 121.223 0.007 0.000 2.017 172 L HA -0.072 4.269 4.340 0.002 0.000 0.208 172 L C -0.374 176.470 176.870 -0.043 0.000 1.073 172 L CA 1.317 56.150 54.840 -0.011 0.000 0.745 172 L CB -1.899 40.138 42.059 -0.037 0.000 0.894 172 L HN 0.062 nan 8.230 nan 0.000 0.432 173 P HA -0.156 nan 4.420 nan 0.000 0.231 173 P C 0.780 178.011 177.300 -0.115 0.000 1.158 173 P CA 1.076 64.050 63.100 -0.210 0.000 0.763 173 P CB -0.041 31.434 31.700 -0.375 0.000 0.805 174 W N -0.223 121.047 121.300 -0.049 0.000 3.132 174 W HA 0.281 4.942 4.660 0.001 0.000 0.364 174 W C 0.115 176.619 176.519 -0.025 0.000 1.129 174 W CA -0.038 57.285 57.345 -0.037 0.000 1.815 174 W CB -0.266 29.177 29.460 -0.030 0.000 1.099 174 W HN 0.078 nan 8.180 nan 0.000 0.605 175 Q N 0.987 120.886 119.800 0.166 0.000 2.241 175 Q HA 0.211 4.552 4.340 0.002 0.000 0.254 175 Q C 0.345 176.390 176.000 0.075 0.000 0.917 175 Q CA -0.542 55.323 55.803 0.104 0.000 0.919 175 Q CB 1.620 30.404 28.738 0.075 0.000 1.237 175 Q HN -0.196 nan 8.270 nan 0.000 0.434 176 Q N 2.324 122.165 119.800 0.068 0.000 2.337 176 Q HA 0.294 4.635 4.340 0.002 0.000 0.270 176 Q C -0.172 175.866 176.000 0.063 0.000 1.002 176 Q CA 0.401 56.241 55.803 0.061 0.000 0.888 176 Q CB 0.502 29.272 28.738 0.054 0.000 1.222 176 Q HN 0.615 nan 8.270 nan 0.000 0.400 177 I N -1.760 118.857 120.570 0.078 0.000 2.994 177 I HA 0.575 4.746 4.170 0.002 0.000 0.306 177 I C -2.761 173.440 176.117 0.139 0.000 1.195 177 I CA -3.144 58.216 61.300 0.101 0.000 1.001 177 I CB 2.543 40.606 38.000 0.106 0.000 1.244 177 I HN 0.199 nan 8.210 nan 0.000 0.437 178 P HA 0.086 nan 4.420 nan 0.000 0.264 178 P C 0.264 177.709 177.300 0.241 0.000 1.193 178 P CA 0.090 63.272 63.100 0.138 0.000 0.763 178 P CB 1.079 32.833 31.700 0.089 0.000 0.810 179 A N 4.054 127.001 122.820 0.212 0.000 2.167 179 A HA -0.102 4.219 4.320 0.002 0.000 0.214 179 A C 1.542 179.076 177.584 -0.083 0.000 1.151 179 A CA 0.673 52.867 52.037 0.261 0.000 0.735 179 A CB -0.714 18.439 19.000 0.255 0.000 0.802 179 A HN 0.657 nan 8.150 nan 0.000 0.467 180 E N -0.764 119.407 120.200 -0.048 0.000 2.489 180 E HA -0.043 4.309 4.350 0.002 0.000 0.193 180 E C -0.172 176.337 176.600 -0.151 0.000 1.057 180 E CA 0.768 57.092 56.400 -0.126 0.000 0.866 180 E CB 0.006 29.668 29.700 -0.064 0.000 0.916 180 E HN 0.423 nan 8.360 nan 0.000 0.500 181 D N 0.333 120.673 120.400 -0.100 0.000 2.753 181 D HA 0.036 4.677 4.640 0.002 0.000 0.291 181 D C 1.062 177.347 176.300 -0.024 0.000 1.075 181 D CA 0.115 54.086 54.000 -0.049 0.000 0.946 181 D CB -0.473 40.353 40.800 0.044 0.000 1.376 181 D HN 0.300 nan 8.370 nan 0.000 0.482 182 W N 0.639 121.973 121.300 0.057 0.000 1.563 182 W HA 0.298 4.959 4.660 0.002 0.000 0.334 182 W C -0.038 176.667 176.519 0.310 0.000 1.536 182 W CA 0.111 57.554 57.345 0.163 0.000 1.767 182 W CB -0.621 28.952 29.460 0.188 0.000 1.486 182 W HN 0.027 nan 8.180 nan 0.000 0.792 191 T N 1.882 116.421 114.554 -0.025 0.000 2.847 191 T HA 0.548 4.900 4.350 0.002 0.000 0.291 191 T C -2.428 172.265 174.700 -0.011 0.000 0.998 191 T CA -1.191 60.898 62.100 -0.019 0.000 0.967 191 T CB 1.113 69.971 68.868 -0.017 0.000 0.954 191 T HN 0.211 nan 8.240 nan 0.000 0.441 192 P HA 0.185 nan 4.420 nan 0.000 0.270 192 P C -0.421 176.878 177.300 -0.002 0.000 1.242 192 P CA -0.753 62.344 63.100 -0.004 0.000 0.768 192 P CB 0.413 32.111 31.700 -0.003 0.000 0.820 193 L N 4.880 126.101 121.223 -0.003 0.000 2.319 193 L HA 0.300 4.641 4.340 0.002 0.000 0.280 193 L C -0.770 176.100 176.870 -0.001 0.000 1.099 193 L CA -0.273 54.566 54.840 -0.001 0.000 0.828 193 L CB 0.248 42.306 42.059 -0.002 0.000 1.150 193 L HN 0.329 nan 8.230 nan 0.000 0.442 194 L N 6.743 127.966 121.223 0.001 0.000 2.375 194 L HA 0.564 4.906 4.340 0.002 0.000 0.268 194 L C -1.805 175.065 176.870 0.001 0.000 1.058 194 L CA -1.726 53.115 54.840 0.001 0.000 0.803 194 L CB 1.210 43.271 42.059 0.003 0.000 1.212 194 L HN 0.584 nan 8.230 nan 0.000 0.451 195 P HA 0.135 nan 4.420 nan 0.000 0.274 195 P C -1.002 176.299 177.300 0.001 0.000 1.256 195 P CA -0.555 62.545 63.100 0.001 0.000 0.795 195 P CB 0.541 32.241 31.700 0.001 0.000 1.038 196 E N 0.984 121.185 120.200 0.001 0.000 2.390 196 E HA 0.206 4.557 4.350 0.002 0.000 0.261 196 E C -1.758 174.843 176.600 0.002 0.000 1.076 196 E CA -1.595 54.806 56.400 0.001 0.000 0.905 196 E CB -0.857 28.843 29.700 -0.001 0.000 0.984 196 E HN 0.403 nan 8.360 nan 0.000 0.427 197 P HA -0.027 nan 4.420 nan 0.000 0.267 197 P C -0.374 176.927 177.300 0.002 0.000 1.200 197 P CA -0.002 63.100 63.100 0.004 0.000 0.772 197 P CB 0.380 32.083 31.700 0.005 0.000 0.855 198 D N 0.810 121.212 120.400 0.003 0.000 2.382 198 D HA -0.016 4.625 4.640 0.002 0.000 0.259 198 D C 1.360 177.659 176.300 -0.001 0.000 1.224 198 D CA -0.198 53.803 54.000 0.001 0.000 0.894 198 D CB 0.612 41.413 40.800 0.001 0.000 1.127 198 D HN 0.105 nan 8.370 nan 0.000 0.487 199 V N 4.168 124.080 119.914 -0.003 0.000 2.427 199 V HA -0.235 3.886 4.120 0.002 0.000 0.248 199 V C 1.888 177.978 176.094 -0.007 0.000 1.051 199 V CA 1.954 64.251 62.300 -0.005 0.000 1.048 199 V CB -0.463 31.357 31.823 -0.006 0.000 0.666 199 V HN 0.788 nan 8.190 nan 0.000 0.456 200 Q N 1.215 121.011 119.800 -0.007 0.000 2.079 200 Q HA -0.109 4.232 4.340 0.002 0.000 0.200 200 Q C 2.306 178.300 176.000 -0.011 0.000 0.974 200 Q CA 2.140 57.937 55.803 -0.010 0.000 0.840 200 Q CB -1.103 27.630 28.738 -0.009 0.000 0.898 200 Q HN 0.680 nan 8.270 nan 0.000 0.430 201 A N 1.505 124.321 122.820 -0.007 0.000 1.908 201 A HA -0.094 4.227 4.320 0.002 0.000 0.218 201 A C 2.455 180.036 177.584 -0.006 0.000 1.181 201 A CA 1.739 53.773 52.037 -0.005 0.000 0.627 201 A CB -0.752 18.249 19.000 0.001 0.000 0.818 201 A HN 0.223 nan 8.150 nan 0.000 0.445 202 V N -0.465 119.447 119.914 -0.004 0.000 2.427 202 V HA -0.198 3.923 4.120 0.002 0.000 0.248 202 V C 2.681 178.767 176.094 -0.013 0.000 1.051 202 V CA 2.341 64.638 62.300 -0.005 0.000 1.048 202 V CB -1.278 30.544 31.823 -0.002 0.000 0.666 202 V HN 0.591 nan 8.190 nan 0.000 0.456 203 T N -0.237 114.307 114.554 -0.017 0.000 2.708 203 T HA -0.187 4.164 4.350 0.002 0.000 0.266 203 T C 2.094 176.774 174.700 -0.034 0.000 1.037 203 T CA 1.569 63.655 62.100 -0.023 0.000 1.146 203 T CB -0.229 68.626 68.868 -0.021 0.000 0.865 203 T HN 0.409 nan 8.240 nan 0.000 0.435 204 R N 0.496 120.975 120.500 -0.035 0.000 2.094 204 R HA -0.074 4.267 4.340 0.002 0.000 0.239 204 R C 2.539 178.799 176.300 -0.067 0.000 1.137 204 R CA 1.493 57.561 56.100 -0.053 0.000 0.943 204 R CB -0.818 29.455 30.300 -0.044 0.000 0.850 204 R HN 0.343 nan 8.270 nan 0.000 0.433 205 L N 0.695 121.892 121.223 -0.044 0.000 2.013 205 L HA -0.218 4.123 4.340 0.002 0.000 0.212 205 L C 1.960 178.804 176.870 -0.044 0.000 1.073 205 L CA 1.885 56.702 54.840 -0.038 0.000 0.753 205 L CB -0.497 41.558 42.059 -0.006 0.000 0.890 205 L HN 0.215 nan 8.230 nan 0.000 0.432 206 T N -0.424 114.109 114.554 -0.035 0.000 2.803 206 T HA -0.235 4.116 4.350 0.002 0.000 0.269 206 T C 1.801 176.471 174.700 -0.050 0.000 1.052 206 T CA 1.749 63.829 62.100 -0.034 0.000 1.136 206 T CB -0.163 68.689 68.868 -0.027 0.000 0.864 206 T HN 0.516 nan 8.240 nan 0.000 0.467 207 Q N 0.250 120.012 119.800 -0.064 0.000 2.083 207 Q HA -0.060 4.281 4.340 0.002 0.000 0.198 207 Q C 2.671 178.606 176.000 -0.108 0.000 0.969 207 Q CA 1.434 57.191 55.803 -0.076 0.000 0.838 207 Q CB -0.311 28.381 28.738 -0.077 0.000 0.900 207 Q HN 0.467 nan 8.270 nan 0.000 0.436 208 T N 1.688 116.151 114.554 -0.152 0.000 2.759 208 T HA -0.160 4.191 4.350 0.002 0.000 0.269 208 T C 1.751 176.370 174.700 -0.136 0.000 1.042 208 T CA 1.017 62.981 62.100 -0.226 0.000 1.140 208 T CB -0.199 68.478 68.868 -0.317 0.000 0.864 208 T HN 0.108 nan 8.240 nan 0.000 0.455 209 L N 0.463 121.634 121.223 -0.087 0.000 2.072 209 L HA 0.189 4.530 4.340 0.002 0.000 0.205 209 L C 2.118 178.960 176.870 -0.047 0.000 1.079 209 L CA 1.406 56.215 54.840 -0.053 0.000 0.752 209 L CB -0.528 41.514 42.059 -0.027 0.000 0.906 209 L HN 0.213 nan 8.230 nan 0.000 0.436 210 L N -0.702 120.491 121.223 -0.050 0.000 2.093 210 L HA -0.112 4.229 4.340 0.002 0.000 0.208 210 L C 2.580 179.423 176.870 -0.045 0.000 1.085 210 L CA 1.057 55.872 54.840 -0.043 0.000 0.755 210 L CB -0.741 41.292 42.059 -0.042 0.000 0.904 210 L HN 0.348 nan 8.230 nan 0.000 0.435 211 A N 0.161 122.948 122.820 -0.056 0.000 2.014 211 A HA 0.123 4.444 4.320 0.002 0.000 0.218 211 A C 1.449 179.005 177.584 -0.046 0.000 1.163 211 A CA 0.710 52.717 52.037 -0.050 0.000 0.652 211 A CB -0.572 18.391 19.000 -0.061 0.000 0.808 211 A HN 0.309 nan 8.150 nan 0.000 0.449 212 A N 0.231 123.016 122.820 -0.058 0.000 2.540 212 A HA 0.216 4.537 4.320 0.002 0.000 0.239 212 A C 1.060 178.580 177.584 -0.108 0.000 1.061 212 A CA 0.597 52.584 52.037 -0.083 0.000 0.758 212 A CB 0.070 19.006 19.000 -0.106 0.000 0.991 212 A HN 0.626 nan 8.150 nan 0.000 0.502 213 E N 1.618 121.731 120.200 -0.145 0.000 2.122 213 E HA -0.039 4.312 4.350 0.002 0.000 0.190 213 E C 0.630 177.016 176.600 -0.358 0.000 0.977 213 E CA 0.683 56.989 56.400 -0.157 0.000 0.820 213 E CB 0.079 29.709 29.700 -0.117 0.000 0.770 213 E HN 0.701 nan 8.360 nan 0.000 0.462 214 R N 1.610 121.740 120.500 -0.616 0.000 3.026 214 R HA 0.297 4.638 4.340 0.002 0.000 0.317 214 R C -2.486 173.243 176.300 -0.951 0.000 1.278 214 R CA -1.645 53.587 56.100 -1.448 0.000 1.407 214 R CB 1.393 30.786 30.300 -1.512 0.000 1.368 214 R HN 0.207 nan 8.270 nan 0.000 0.612 215 P HA 0.119 nan 4.420 nan 0.000 0.279 215 P C -0.563 176.831 177.300 0.157 0.000 1.239 215 P CA -0.006 63.037 63.100 -0.094 0.000 0.789 215 P CB 1.505 33.200 31.700 -0.008 0.000 0.933 216 L N 3.411 124.699 121.223 0.109 0.000 2.381 216 L HA 0.524 4.865 4.340 0.002 0.000 0.268 216 L C 0.254 177.196 176.870 0.120 0.000 0.997 216 L CA -1.107 53.842 54.840 0.182 0.000 0.818 216 L CB 2.042 44.193 42.059 0.154 0.000 1.310 216 L HN 0.256 nan 8.230 nan 0.000 0.416 217 I N 2.847 123.532 120.570 0.192 0.000 2.321 217 I HA 0.218 4.389 4.170 0.002 0.000 0.291 217 I C -1.189 175.123 176.117 0.327 0.000 0.998 217 I CA -0.479 60.956 61.300 0.225 0.000 1.227 217 I CB 1.089 39.246 38.000 0.261 0.000 1.368 217 I HN 0.383 nan 8.210 nan 0.000 0.466 218 Y N 9.495 129.836 120.300 0.069 0.000 2.388 218 Y HA 0.412 4.963 4.550 0.002 0.000 0.328 218 Y C -1.178 174.827 175.900 0.176 0.000 0.963 218 Y CA -1.842 56.286 58.100 0.046 0.000 1.240 218 Y CB 0.558 38.944 38.460 -0.124 0.000 1.118 218 Y HN 0.453 nan 8.280 nan 0.000 0.484 219 Y N 3.232 123.736 120.300 0.341 0.000 2.429 219 Y HA 0.944 5.495 4.550 0.002 0.000 0.342 219 Y C 0.092 176.093 175.900 0.168 0.000 1.004 219 Y CA -1.242 56.971 58.100 0.188 0.000 1.075 219 Y CB 1.268 39.830 38.460 0.170 0.000 1.214 219 Y HN 0.608 nan 8.280 nan 0.000 0.455 220 G N 1.283 110.209 108.800 0.210 0.000 2.971 220 G HA2 0.398 4.359 3.960 0.002 0.000 0.235 220 G HA3 0.398 4.359 3.960 0.002 0.000 0.235 220 G C 0.059 175.092 174.900 0.221 0.000 1.351 220 G CA -0.728 44.469 45.100 0.162 0.000 1.039 220 G HN 0.808 nan 8.290 nan 0.000 0.563 221 I N -0.607 120.058 120.570 0.158 0.000 3.001 221 I HA 0.152 4.323 4.170 0.002 0.000 0.268 221 I C 2.411 178.596 176.117 0.114 0.000 1.267 221 I CA 0.803 62.188 61.300 0.141 0.000 1.472 221 I CB -0.871 37.192 38.000 0.104 0.000 1.089 221 I HN 0.392 nan 8.210 nan 0.000 0.468 222 G N 0.922 109.784 108.800 0.104 0.000 2.501 222 G HA2 -0.083 3.878 3.960 0.002 0.000 0.220 222 G HA3 -0.083 3.878 3.960 0.002 0.000 0.220 222 G C 1.505 176.458 174.900 0.088 0.000 1.114 222 G CA 0.623 45.772 45.100 0.082 0.000 0.757 222 G HN 0.618 nan 8.290 nan 0.000 0.559 223 A N 0.724 123.619 122.820 0.125 0.000 2.379 223 A HA 0.287 4.608 4.320 0.002 0.000 0.236 223 A C 2.138 179.752 177.584 0.050 0.000 1.272 223 A CA 0.592 52.681 52.037 0.088 0.000 0.886 223 A CB -0.259 18.813 19.000 0.120 0.000 0.962 223 A HN 0.491 nan 8.150 nan 0.000 0.504 224 R N -0.438 120.105 120.500 0.071 0.000 2.159 224 R HA -0.082 4.259 4.340 0.002 0.000 0.237 224 R C 0.526 176.839 176.300 0.022 0.000 1.131 224 R CA 1.333 57.467 56.100 0.055 0.000 0.982 224 R CB -0.203 30.137 30.300 0.067 0.000 0.868 224 R HN 0.027 nan 8.270 nan 0.000 0.453 225 K N 0.380 120.788 120.400 0.014 0.000 2.417 225 K HA 0.211 4.532 4.320 0.002 0.000 0.196 225 K C 0.492 177.078 176.600 -0.023 0.000 1.023 225 K CA 0.576 56.863 56.287 0.000 0.000 1.122 225 K CB 1.351 33.855 32.500 0.008 0.000 0.850 225 K HN 0.346 nan 8.250 nan 0.000 0.521 226 A N -0.223 122.569 122.820 -0.045 0.000 2.606 226 A HA 0.356 4.677 4.320 0.002 0.000 0.290 226 A C 1.629 179.132 177.584 -0.135 0.000 1.174 226 A CA 0.190 52.182 52.037 -0.075 0.000 0.958 226 A CB -0.005 18.958 19.000 -0.062 0.000 1.194 226 A HN 0.198 nan 8.150 nan 0.000 0.526 227 G N 1.070 109.788 108.800 -0.136 0.000 2.469 227 G HA2 -0.267 3.694 3.960 0.002 0.000 0.219 227 G HA3 -0.267 3.694 3.960 0.002 0.000 0.219 227 G C 1.542 176.339 174.900 -0.171 0.000 1.150 227 G CA 1.361 46.352 45.100 -0.181 0.000 0.763 227 G HN 0.557 nan 8.290 nan 0.000 0.561 228 K N 0.202 120.531 120.400 -0.118 0.000 2.025 228 K HA -0.035 4.286 4.320 0.002 0.000 0.207 228 K C 2.518 179.053 176.600 -0.109 0.000 1.049 228 K CA 1.412 57.635 56.287 -0.106 0.000 0.933 228 K CB -0.120 32.338 32.500 -0.070 0.000 0.714 228 K HN 0.195 nan 8.250 nan 0.000 0.438 229 E N 1.006 121.150 120.200 -0.093 0.000 2.118 229 E HA -0.153 4.199 4.350 0.002 0.000 0.195 229 E C 1.864 178.406 176.600 -0.097 0.000 0.992 229 E CA 0.914 57.266 56.400 -0.079 0.000 0.804 229 E CB -0.146 29.517 29.700 -0.060 0.000 0.741 229 E HN 0.190 nan 8.360 nan 0.000 0.458 230 L N 0.363 121.495 121.223 -0.150 0.000 2.005 230 L HA -0.174 4.168 4.340 0.002 0.000 0.207 230 L C 2.589 179.368 176.870 -0.152 0.000 1.072 230 L CA 1.464 56.198 54.840 -0.176 0.000 0.744 230 L CB -0.269 41.568 42.059 -0.371 0.000 0.895 230 L HN 0.170 nan 8.230 nan 0.000 0.433 231 E N -0.377 119.683 120.200 -0.234 0.000 2.106 231 E HA -0.272 4.079 4.350 0.002 0.000 0.192 231 E C 2.195 178.681 176.600 -0.190 0.000 0.984 231 E CA 1.062 57.252 56.400 -0.350 0.000 0.806 231 E CB 0.131 29.545 29.700 -0.476 0.000 0.750 231 E HN 0.413 nan 8.360 nan 0.000 0.458 232 Q N 0.036 119.764 119.800 -0.120 0.000 2.084 232 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 232 Q C 2.187 178.167 176.000 -0.034 0.000 0.978 232 Q CA 1.222 56.989 55.803 -0.061 0.000 0.844 232 Q CB -0.037 28.669 28.738 -0.054 0.000 0.898 232 Q HN 0.245 nan 8.270 nan 0.000 0.426 233 L N -0.299 120.905 121.223 -0.031 0.000 2.056 233 L HA -0.140 4.201 4.340 0.002 0.000 0.207 233 L C 2.281 179.163 176.870 0.019 0.000 1.078 233 L CA 2.034 56.869 54.840 -0.010 0.000 0.749 233 L CB -0.951 41.107 42.059 -0.002 0.000 0.901 233 L HN 0.164 nan 8.230 nan 0.000 0.433 234 S N -0.048 115.694 115.700 0.071 0.000 2.351 234 S HA -0.276 4.195 4.470 0.002 0.000 0.220 234 S C 2.071 176.759 174.600 0.147 0.000 1.035 234 S CA 1.958 60.276 58.200 0.196 0.000 1.031 234 S CB -0.386 63.024 63.200 0.351 0.000 0.928 234 S HN 0.680 nan 8.310 nan 0.000 0.433 235 K N -0.380 120.120 120.400 0.167 0.000 2.148 235 K HA -0.029 4.292 4.320 0.002 0.000 0.204 235 K C 2.089 178.609 176.600 -0.134 0.000 1.050 235 K CA 1.656 57.985 56.287 0.070 0.000 0.942 235 K CB -1.045 31.603 32.500 0.247 0.000 0.724 235 K HN 0.289 nan 8.250 nan 0.000 0.446 236 T N 2.129 116.631 114.554 -0.087 0.000 2.708 236 T HA -0.023 4.328 4.350 0.002 0.000 0.266 236 T C 1.650 176.251 174.700 -0.164 0.000 1.037 236 T CA 1.185 63.221 62.100 -0.106 0.000 1.146 236 T CB -0.057 68.773 68.868 -0.063 0.000 0.865 236 T HN 0.186 nan 8.240 nan 0.000 0.435 237 L N -0.012 121.115 121.223 -0.160 0.000 2.640 237 L HA 0.231 4.572 4.340 0.002 0.000 0.230 237 L C 0.077 176.789 176.870 -0.263 0.000 1.123 237 L CA -0.135 54.611 54.840 -0.157 0.000 0.900 237 L CB 0.075 42.094 42.059 -0.066 0.000 1.146 237 L HN 0.071 nan 8.230 nan 0.000 0.484 238 K N 1.121 121.193 120.400 -0.547 0.000 3.150 238 K HA -0.135 4.186 4.320 0.002 0.000 0.267 238 K C -0.551 175.975 176.600 -0.124 0.000 1.028 238 K CA 0.836 56.475 56.287 -1.080 0.000 0.753 238 K CB -2.264 29.608 32.500 -1.047 0.000 1.288 238 K HN 0.355 nan 8.250 nan 0.000 0.473 239 I N 0.997 121.643 120.570 0.127 0.000 2.389 239 I HA 0.236 4.407 4.170 0.002 0.000 0.288 239 I C -2.078 174.336 176.117 0.495 0.000 0.999 239 I CA -2.485 59.033 61.300 0.363 0.000 1.129 239 I CB 1.790 39.924 38.000 0.224 0.000 1.288 239 I HN -0.186 nan 8.210 nan 0.000 0.444 240 P HA 0.181 nan 4.420 nan 0.000 0.269 240 P C -0.846 176.629 177.300 0.291 0.000 1.209 240 P CA -0.076 63.181 63.100 0.262 0.000 0.776 240 P CB 0.626 32.328 31.700 0.003 0.000 0.876 241 L N 3.178 124.595 121.223 0.323 0.000 2.307 241 L HA 0.590 4.931 4.340 0.002 0.000 0.284 241 L C 0.467 177.491 176.870 0.256 0.000 1.023 241 L CA -0.567 54.529 54.840 0.427 0.000 0.810 241 L CB 0.902 43.358 42.059 0.661 0.000 1.231 241 L HN 0.380 nan 8.230 nan 0.000 0.423 242 M N 1.628 121.331 119.600 0.173 0.000 2.619 242 M HA 0.783 5.264 4.480 0.002 0.000 0.297 242 M C -0.711 175.545 176.300 -0.072 0.000 1.229 242 M CA -0.546 54.723 55.300 -0.052 0.000 0.860 242 M CB 2.402 34.855 32.600 -0.245 0.000 1.741 242 M HN 0.452 nan 8.290 nan 0.000 0.462 243 S N -0.170 115.492 115.700 -0.063 0.000 2.599 243 S HA 0.738 5.209 4.470 0.002 0.000 0.294 243 S C -0.097 174.649 174.600 0.244 0.000 1.094 243 S CA -0.228 57.870 58.200 -0.169 0.000 0.931 243 S CB 1.621 64.657 63.200 -0.274 0.000 1.093 243 S HN 0.976 nan 8.310 nan 0.000 0.488 244 T N 0.012 114.725 114.554 0.265 0.000 2.795 244 T HA 0.103 4.454 4.350 0.002 0.000 0.314 244 T C 0.882 175.755 174.700 0.288 0.000 1.069 244 T CA 0.057 62.339 62.100 0.302 0.000 1.071 244 T CB -0.172 68.821 68.868 0.208 0.000 0.988 244 T HN 0.788 nan 8.240 nan 0.000 0.543 245 Y N 2.625 123.028 120.300 0.172 0.000 2.097 245 Y HA 0.009 4.560 4.550 0.002 0.000 0.282 245 Y C -0.787 175.252 175.900 0.232 0.000 1.152 245 Y CA 1.333 59.540 58.100 0.180 0.000 1.136 245 Y CB -1.431 37.111 38.460 0.138 0.000 0.975 245 Y HN 0.504 nan 8.280 nan 0.000 0.498 246 P HA -0.155 nan 4.420 nan 0.000 0.221 246 P C 0.800 178.224 177.300 0.206 0.000 1.145 246 P CA 2.072 65.357 63.100 0.310 0.000 0.795 246 P CB -0.276 31.549 31.700 0.208 0.000 0.775 247 A N -1.040 121.917 122.820 0.229 0.000 2.251 247 A HA -0.016 4.305 4.320 0.002 0.000 0.209 247 A C 1.128 178.865 177.584 0.254 0.000 1.187 247 A CA -0.139 52.045 52.037 0.244 0.000 0.823 247 A CB -0.958 18.197 19.000 0.259 0.000 0.846 247 A HN 0.075 nan 8.150 nan 0.000 0.486 248 K N 0.066 120.599 120.400 0.222 0.000 2.530 248 K HA 0.189 4.510 4.320 0.002 0.000 0.280 248 K C 1.216 177.878 176.600 0.103 0.000 1.004 248 K CA 1.078 57.418 56.287 0.088 0.000 1.071 248 K CB -0.155 32.257 32.500 -0.146 0.000 0.876 248 K HN 0.711 nan 8.250 nan 0.000 0.487 249 G N 3.779 112.544 108.800 -0.057 0.000 2.234 249 G HA2 -0.281 3.680 3.960 0.002 0.000 0.235 249 G HA3 -0.281 3.680 3.960 0.002 0.000 0.235 249 G C 0.877 175.782 174.900 0.009 0.000 0.997 249 G CA 0.292 45.377 45.100 -0.025 0.000 0.623 249 G HN 0.646 nan 8.290 nan 0.000 0.514 250 I N 0.622 121.232 120.570 0.066 0.000 2.226 250 I HA -0.031 4.140 4.170 0.002 0.000 0.245 250 I C 1.242 177.324 176.117 -0.058 0.000 1.100 250 I CA 1.239 62.564 61.300 0.041 0.000 1.374 250 I CB -0.193 37.881 38.000 0.123 0.000 1.057 250 I HN 0.107 nan 8.210 nan 0.000 0.413 251 V N 1.643 121.506 119.914 -0.084 0.000 2.481 251 V HA 0.446 4.567 4.120 0.002 0.000 0.286 251 V C 0.437 176.416 176.094 -0.191 0.000 1.042 251 V CA -1.138 61.066 62.300 -0.160 0.000 0.928 251 V CB 1.277 33.008 31.823 -0.152 0.000 0.986 251 V HN 0.262 nan 8.190 nan 0.000 0.462 252 A N 3.084 125.832 122.820 -0.120 0.000 2.546 252 A HA 0.059 4.380 4.320 0.002 0.000 0.243 252 A C 1.243 178.774 177.584 -0.089 0.000 1.063 252 A CA -0.067 51.922 52.037 -0.081 0.000 0.757 252 A CB -0.138 18.851 19.000 -0.019 0.000 0.991 252 A HN 0.935 nan 8.150 nan 0.000 0.503 253 D N 1.936 122.268 120.400 -0.113 0.000 2.190 253 D HA -0.228 4.413 4.640 0.002 0.000 0.200 253 D C 2.001 178.361 176.300 0.100 0.000 0.992 253 D CA 1.950 55.934 54.000 -0.027 0.000 0.854 253 D CB -0.043 40.751 40.800 -0.011 0.000 0.936 253 D HN 0.871 nan 8.370 nan 0.000 0.462 254 R N 0.189 120.728 120.500 0.065 0.000 2.237 254 R HA -0.136 4.205 4.340 0.002 0.000 0.219 254 R C 0.983 177.349 176.300 0.110 0.000 1.080 254 R CA 0.079 56.219 56.100 0.066 0.000 0.995 254 R CB -0.754 29.572 30.300 0.042 0.000 0.875 254 R HN 0.087 nan 8.270 nan 0.000 0.462 255 Y N 3.414 123.733 120.300 0.031 0.000 2.721 255 Y HA 0.078 4.629 4.550 0.002 0.000 0.329 255 Y C -1.751 174.180 175.900 0.052 0.000 1.211 255 Y CA -2.483 55.647 58.100 0.049 0.000 1.512 255 Y CB 1.029 39.528 38.460 0.064 0.000 1.249 255 Y HN -0.034 nan 8.280 nan 0.000 0.549 256 P HA -0.063 nan 4.420 nan 0.000 0.222 256 P C 0.239 177.164 177.300 -0.626 0.000 1.147 256 P CA 1.911 64.724 63.100 -0.478 0.000 0.790 256 P CB 0.257 31.712 31.700 -0.408 0.000 0.780 257 A N -2.288 119.943 122.820 -0.981 0.000 2.460 257 A HA 0.105 4.426 4.320 0.002 0.000 0.258 257 A C -0.015 177.499 177.584 -0.116 0.000 1.300 257 A CA -0.288 51.372 52.037 -0.629 0.000 0.913 257 A CB -1.049 17.577 19.000 -0.623 0.000 1.031 257 A HN 0.063 nan 8.150 nan 0.000 0.512 258 Y N 1.149 121.399 120.300 -0.084 0.000 2.486 258 Y HA 0.372 4.923 4.550 0.002 0.000 0.348 258 Y C 0.691 176.589 175.900 -0.003 0.000 1.000 258 Y CA -0.969 57.204 58.100 0.123 0.000 1.253 258 Y CB 0.393 38.984 38.460 0.218 0.000 1.140 258 Y HN 0.190 nan 8.280 nan 0.000 0.526 259 L N 5.836 126.766 121.223 -0.490 0.000 2.554 259 L HA 0.220 4.561 4.340 0.002 0.000 0.226 259 L C 1.417 177.891 176.870 -0.660 0.000 1.137 259 L CA 0.548 55.093 54.840 -0.491 0.000 0.863 259 L CB -0.955 40.884 42.059 -0.367 0.000 0.985 259 L HN 1.005 nan 8.230 nan 0.000 0.451 260 G N 0.498 108.509 108.800 -1.316 0.000 2.568 260 G HA2 -0.233 3.728 3.960 0.002 0.000 0.222 260 G HA3 -0.233 3.728 3.960 0.002 0.000 0.222 260 G C -0.231 174.416 174.900 -0.421 0.000 1.321 260 G CA -0.232 44.375 45.100 -0.821 0.000 0.893 260 G HN 0.377 nan 8.290 nan 0.000 0.569 261 S N -0.570 115.051 115.700 -0.132 0.000 2.638 261 S HA 0.936 5.408 4.470 0.002 0.000 0.298 261 S C 0.056 174.633 174.600 -0.039 0.000 1.111 261 S CA 0.536 58.731 58.200 -0.007 0.000 1.027 261 S CB 2.033 65.326 63.200 0.154 0.000 1.064 261 S HN 2.430 nan 8.310 nan 0.000 0.525 262 A N 1.082 123.905 122.820 0.005 0.000 2.342 262 A HA 0.889 5.210 4.320 0.002 0.000 0.323 262 A C 0.167 177.838 177.584 0.145 0.000 1.125 262 A CA -0.570 51.472 52.037 0.008 0.000 0.785 262 A CB 0.583 19.522 19.000 -0.101 0.000 1.221 262 A HN 0.976 nan 8.150 nan 0.000 0.463 263 N N -0.573 118.186 118.700 0.099 0.000 2.470 263 N HA -0.080 4.661 4.740 0.002 0.000 0.299 263 N C 0.479 176.038 175.510 0.083 0.000 1.588 263 N CA 0.950 54.062 53.050 0.103 0.000 3.156 263 N CB -0.252 38.297 38.487 0.103 0.000 1.542 263 N HN 0.732 nan 8.380 nan 0.000 1.187 264 R N 0.159 120.724 120.500 0.108 0.000 2.424 264 R HA 0.588 4.929 4.340 0.002 0.000 0.300 264 R C -0.845 175.578 176.300 0.206 0.000 0.730 264 R CA 0.909 57.094 56.100 0.142 0.000 0.969 264 R CB 0.043 30.437 30.300 0.158 0.000 1.669 264 R HN 0.266 nan 8.270 nan 0.000 0.500 265 A N 0.693 123.631 122.820 0.197 0.000 2.411 265 A HA 0.664 4.985 4.320 0.002 0.000 0.251 265 A C 0.758 178.473 177.584 0.218 0.000 1.317 265 A CA 0.202 52.398 52.037 0.266 0.000 0.904 265 A CB -0.382 18.881 19.000 0.439 0.000 0.993 265 A HN 0.427 nan 8.150 nan 0.000 0.504 266 A N 0.090 122.997 122.820 0.145 0.000 2.531 266 A HA 0.378 4.699 4.320 0.002 0.000 0.236 266 A C 0.402 177.997 177.584 0.018 0.000 1.062 266 A CA 0.257 52.330 52.037 0.059 0.000 0.760 266 A CB 0.108 19.113 19.000 0.007 0.000 0.995 266 A HN 0.623 nan 8.150 nan 0.000 0.501 267 Q N 0.597 120.349 119.800 -0.081 0.000 2.257 267 Q HA 0.215 4.556 4.340 0.002 0.000 0.262 267 Q C 0.823 176.462 176.000 -0.602 0.000 0.997 267 Q CA -0.717 54.967 55.803 -0.199 0.000 0.873 267 Q CB 1.975 30.664 28.738 -0.082 0.000 1.312 267 Q HN 0.882 nan 8.270 nan 0.000 0.450 268 K N 2.083 121.697 120.400 -1.310 0.000 1.991 268 K HA -0.151 4.170 4.320 0.002 0.000 0.212 268 K C -1.004 175.137 176.600 -0.764 0.000 1.049 268 K CA 1.702 57.326 56.287 -1.106 0.000 0.932 268 K CB -0.792 30.874 32.500 -1.390 0.000 0.717 268 K HN 0.323 nan 8.250 nan 0.000 0.441 269 P HA -0.133 nan 4.420 nan 0.000 0.216 269 P C 0.894 177.956 177.300 -0.396 0.000 1.150 269 P CA 1.891 64.686 63.100 -0.508 0.000 0.837 269 P CB -0.075 31.348 31.700 -0.461 0.000 0.786 270 A N -0.528 122.050 122.820 -0.403 0.000 1.873 270 A HA -0.208 4.114 4.320 0.002 0.000 0.215 270 A C 2.367 179.783 177.584 -0.279 0.000 1.186 270 A CA 1.550 53.393 52.037 -0.324 0.000 0.616 270 A CB -1.611 17.195 19.000 -0.323 0.000 0.823 270 A HN 0.124 nan 8.150 nan 0.000 0.442 271 N N -0.279 118.252 118.700 -0.282 0.000 2.104 271 N HA -0.184 4.557 4.740 0.002 0.000 0.190 271 N C 1.744 177.127 175.510 -0.212 0.000 1.024 271 N CA 1.807 54.717 53.050 -0.234 0.000 0.853 271 N CB -0.138 38.213 38.487 -0.226 0.000 1.008 271 N HN 0.657 nan 8.380 nan 0.000 0.424 272 E N 0.338 120.405 120.200 -0.221 0.000 2.046 272 E HA -0.067 4.284 4.350 0.002 0.000 0.190 272 E C 2.034 178.578 176.600 -0.093 0.000 0.982 272 E CA 0.832 57.134 56.400 -0.164 0.000 0.800 272 E CB -0.124 29.469 29.700 -0.179 0.000 0.756 272 E HN 0.361 nan 8.360 nan 0.000 0.449 273 A N 1.128 123.892 122.820 -0.094 0.000 1.940 273 A HA -0.197 4.124 4.320 0.002 0.000 0.219 273 A C 2.139 179.795 177.584 0.121 0.000 1.176 273 A CA 1.138 53.213 52.037 0.063 0.000 0.631 273 A CB -0.565 18.427 19.000 -0.013 0.000 0.814 273 A HN 0.114 nan 8.150 nan 0.000 0.446 274 L N -0.561 120.635 121.223 -0.045 0.000 2.042 274 L HA -0.194 4.147 4.340 0.002 0.000 0.210 274 L C 2.959 179.797 176.870 -0.054 0.000 1.076 274 L CA 1.853 56.630 54.840 -0.105 0.000 0.749 274 L CB -0.506 41.288 42.059 -0.442 0.000 0.893 274 L HN 0.395 nan 8.230 nan 0.000 0.432 275 A N -1.666 121.104 122.820 -0.083 0.000 2.067 275 A HA -0.155 4.166 4.320 0.002 0.000 0.219 275 A C 2.140 179.729 177.584 0.009 0.000 1.158 275 A CA 1.088 53.094 52.037 -0.052 0.000 0.661 275 A CB -0.241 18.713 19.000 -0.077 0.000 0.801 275 A HN 0.452 nan 8.150 nan 0.000 0.452 276 Q N -0.340 119.500 119.800 0.065 0.000 2.302 276 Q HA 0.237 4.578 4.340 0.002 0.000 0.202 276 Q C 1.050 176.986 176.000 -0.106 0.000 0.936 276 Q CA 0.729 56.570 55.803 0.063 0.000 0.886 276 Q CB -0.584 28.323 28.738 0.280 0.000 0.986 276 Q HN 0.572 nan 8.270 nan 0.000 0.487 277 A N 2.877 125.653 122.820 -0.073 0.000 2.511 277 A HA 0.061 4.382 4.320 0.002 0.000 0.242 277 A C 0.707 178.148 177.584 -0.238 0.000 1.069 277 A CA 0.167 52.057 52.037 -0.244 0.000 0.763 277 A CB 0.187 19.175 19.000 -0.021 0.000 1.001 277 A HN 0.245 nan 8.150 nan 0.000 0.498 278 D N 1.045 121.246 120.400 -0.332 0.000 2.301 278 D HA 0.065 4.706 4.640 0.002 0.000 0.206 278 D C 0.090 176.234 176.300 -0.259 0.000 0.979 278 D CA 0.536 54.380 54.000 -0.261 0.000 0.874 278 D CB -0.098 40.567 40.800 -0.224 0.000 0.968 278 D HN 0.178 nan 8.370 nan 0.000 0.510 279 V N 0.970 120.738 119.914 -0.243 0.000 2.638 279 V HA 0.416 4.537 4.120 0.002 0.000 0.306 279 V C -0.703 175.255 176.094 -0.226 0.000 1.052 279 V CA -0.967 61.212 62.300 -0.202 0.000 0.885 279 V CB 2.632 34.404 31.823 -0.085 0.000 0.999 279 V HN -0.075 nan 8.190 nan 0.000 0.424 280 V N 5.605 125.333 119.914 -0.309 0.000 2.444 280 V HA 0.447 4.568 4.120 0.002 0.000 0.294 280 V C -0.591 175.366 176.094 -0.227 0.000 1.022 280 V CA -0.598 61.506 62.300 -0.327 0.000 0.850 280 V CB 1.803 33.255 31.823 -0.619 0.000 0.992 280 V HN 0.675 nan 8.190 nan 0.000 0.426 281 L N 6.303 127.444 121.223 -0.136 0.000 2.259 281 L HA 0.580 4.921 4.340 0.002 0.000 0.288 281 L C -0.755 176.098 176.870 -0.029 0.000 1.051 281 L CA 0.202 55.037 54.840 -0.008 0.000 0.824 281 L CB 0.136 42.226 42.059 0.051 0.000 1.206 281 L HN 0.438 nan 8.230 nan 0.000 0.429 282 F N 5.019 125.054 119.950 0.141 0.000 2.445 282 F HA 0.427 4.955 4.527 0.002 0.000 0.359 282 F C 0.231 176.091 175.800 0.100 0.000 1.101 282 F CA -0.289 57.776 58.000 0.109 0.000 1.177 282 F CB 1.027 40.063 39.000 0.061 0.000 1.110 282 F HN 0.140 nan 8.300 nan 0.000 0.522 283 V N 2.737 122.815 119.914 0.273 0.000 2.378 283 V HA 0.527 4.648 4.120 0.002 0.000 0.288 283 V C 0.459 176.670 176.094 0.195 0.000 1.016 283 V CA -1.096 61.331 62.300 0.211 0.000 0.840 283 V CB 0.995 32.938 31.823 0.200 0.000 0.994 283 V HN 0.989 nan 8.190 nan 0.000 0.431 284 G N 3.917 112.799 108.800 0.136 0.000 2.393 284 G HA2 -0.292 3.669 3.960 0.002 0.000 0.299 284 G HA3 -0.292 3.669 3.960 0.002 0.000 0.299 284 G C 0.373 175.335 174.900 0.104 0.000 0.990 284 G CA 1.096 46.260 45.100 0.106 0.000 1.118 284 G HN 0.803 nan 8.290 nan 0.000 0.513 285 N N 0.601 119.353 118.700 0.087 0.000 3.366 285 N HA -0.004 4.737 4.740 0.002 0.000 0.263 285 N C 0.453 175.952 175.510 -0.018 0.000 1.086 285 N CA 1.287 54.366 53.050 0.048 0.000 1.261 285 N CB -0.280 38.245 38.487 0.063 0.000 1.115 285 N HN 1.332 nan 8.380 nan 0.000 1.031 286 N N -0.046 118.606 118.700 -0.080 0.000 2.531 286 N HA -0.270 4.471 4.740 0.002 0.000 0.279 286 N C -1.281 174.111 175.510 -0.196 0.000 1.267 286 N CA 0.107 53.015 53.050 -0.237 0.000 0.663 286 N CB -2.149 36.254 38.487 -0.140 0.000 0.886 286 N HN 0.352 nan 8.380 nan 0.000 0.544 287 Y N 2.644 122.657 120.300 -0.478 0.000 2.981 287 Y HA -0.031 4.521 4.550 0.002 0.000 0.359 287 Y C -1.706 174.200 175.900 0.010 0.000 1.271 287 Y CA -0.306 57.743 58.100 -0.084 0.000 1.617 287 Y CB 0.278 38.801 38.460 0.105 0.000 1.154 287 Y HN 0.549 nan 8.280 nan 0.000 0.570 296 F N 1.469 121.445 119.950 0.044 0.000 2.343 296 F HA 0.112 4.640 4.527 0.002 0.000 0.286 296 F C 2.179 177.992 175.800 0.021 0.000 1.057 296 F CA 1.511 59.546 58.000 0.058 0.000 1.365 296 F CB 0.277 39.401 39.000 0.206 0.000 1.114 296 F HN 0.292 nan 8.300 nan 0.000 0.545 297 K N 0.108 120.627 120.400 0.199 0.000 8.476 297 K HA -0.428 3.893 4.320 0.002 0.000 0.488 297 K C 0.660 177.289 176.600 0.048 0.000 0.381 297 K CA 2.714 59.050 56.287 0.081 0.000 1.931 297 K CB -2.306 30.207 32.500 0.021 0.000 0.770 297 K HN 0.420 nan 8.250 nan 0.000 0.953 298 N N 1.343 120.062 118.700 0.032 0.000 2.398 298 N HA 0.049 4.790 4.740 0.002 0.000 0.188 298 N C -0.525 174.935 175.510 -0.084 0.000 1.122 298 N CA 0.540 53.574 53.050 -0.028 0.000 0.866 298 N CB 0.492 38.953 38.487 -0.043 0.000 0.970 298 N HN 0.323 nan 8.380 nan 0.000 0.462 299 T N 0.707 115.216 114.554 -0.074 0.000 2.737 299 T HA 0.169 4.520 4.350 0.002 0.000 0.296 299 T C 1.150 175.623 174.700 -0.379 0.000 0.922 299 T CA -0.169 61.758 62.100 -0.287 0.000 1.079 299 T CB 1.153 69.732 68.868 -0.481 0.000 0.892 299 T HN 0.139 nan 8.240 nan 0.000 0.514 300 R N 2.347 122.591 120.500 -0.427 0.000 2.057 300 R HA 0.020 4.361 4.340 0.002 0.000 0.229 300 R C -0.230 175.568 176.300 -0.837 0.000 1.136 300 R CA 1.193 56.921 56.100 -0.619 0.000 0.952 300 R CB 0.102 29.966 30.300 -0.727 0.000 0.848 300 R HN 0.559 nan 8.270 nan 0.000 0.430 301 Y N -0.800 119.276 120.300 -0.375 0.000 2.376 301 Y HA 0.329 4.880 4.550 0.002 0.000 0.340 301 Y C -0.694 174.895 175.900 -0.519 0.000 0.965 301 Y CA -1.133 56.775 58.100 -0.318 0.000 1.078 301 Y CB 1.213 39.577 38.460 -0.160 0.000 1.193 301 Y HN -0.158 nan 8.280 nan 0.000 0.452 302 F N 4.009 124.048 119.950 0.149 0.000 2.405 302 F HA 0.537 5.065 4.527 0.002 0.000 0.355 302 F C -0.348 175.546 175.800 0.157 0.000 1.121 302 F CA -0.627 57.458 58.000 0.142 0.000 1.112 302 F CB 0.711 39.804 39.000 0.155 0.000 1.126 302 F HN 0.175 nan 8.300 nan 0.000 0.481 303 L N 3.509 124.906 121.223 0.290 0.000 2.317 303 L HA 0.611 4.952 4.340 0.002 0.000 0.281 303 L C -0.575 176.470 176.870 0.292 0.000 1.024 303 L CA -0.755 54.209 54.840 0.208 0.000 0.810 303 L CB 1.912 44.030 42.059 0.099 0.000 1.240 303 L HN 0.582 nan 8.230 nan 0.000 0.427 304 Q N 2.863 122.792 119.800 0.215 0.000 2.305 304 Q HA 0.617 4.958 4.340 0.002 0.000 0.271 304 Q C -1.696 174.380 176.000 0.127 0.000 1.046 304 Q CA -0.484 55.444 55.803 0.210 0.000 0.798 304 Q CB 2.547 31.379 28.738 0.157 0.000 1.286 304 Q HN 0.610 nan 8.270 nan 0.000 0.435 305 I N 3.236 123.882 120.570 0.126 0.000 2.389 305 I HA 0.490 4.661 4.170 0.002 0.000 0.288 305 I C -0.799 175.362 176.117 0.074 0.000 0.999 305 I CA -0.428 60.922 61.300 0.084 0.000 1.129 305 I CB 1.639 39.686 38.000 0.078 0.000 1.288 305 I HN 0.563 nan 8.210 nan 0.000 0.444 306 D N 4.567 124.995 120.400 0.047 0.000 2.655 306 D HA 0.282 4.923 4.640 0.002 0.000 0.229 306 D C 0.030 176.342 176.300 0.020 0.000 1.229 306 D CA -0.461 53.559 54.000 0.033 0.000 0.807 306 D CB 2.948 43.759 40.800 0.018 0.000 1.514 306 D HN 0.378 nan 8.370 nan 0.000 0.444 307 I N 1.070 121.648 120.570 0.014 0.000 3.226 307 I HA -0.020 4.151 4.170 0.002 0.000 0.277 307 I C 0.194 176.311 176.117 -0.001 0.000 1.243 307 I CA 0.542 61.846 61.300 0.008 0.000 1.459 307 I CB 0.315 38.320 38.000 0.009 0.000 1.093 307 I HN 0.196 nan 8.210 nan 0.000 0.453 308 D N 0.265 120.661 120.400 -0.007 0.000 2.349 308 D HA 0.215 4.856 4.640 0.002 0.000 0.232 308 D C -1.808 174.484 176.300 -0.014 0.000 1.071 308 D CA -2.600 51.391 54.000 -0.015 0.000 0.832 308 D CB 1.736 42.519 40.800 -0.028 0.000 1.086 308 D HN -0.056 nan 8.370 nan 0.000 0.504 309 P HA -0.047 nan 4.420 nan 0.000 0.223 309 P C 1.001 178.292 177.300 -0.015 0.000 1.151 309 P CA 0.516 63.611 63.100 -0.010 0.000 0.787 309 P CB 0.195 31.891 31.700 -0.006 0.000 0.788 310 A N 0.557 123.367 122.820 -0.018 0.000 2.070 310 A HA -0.141 4.180 4.320 0.002 0.000 0.220 310 A C 2.037 179.603 177.584 -0.030 0.000 1.159 310 A CA 1.340 53.364 52.037 -0.021 0.000 0.656 310 A CB -0.727 18.261 19.000 -0.020 0.000 0.800 310 A HN 0.057 nan 8.150 nan 0.000 0.453 311 K N -0.414 119.965 120.400 -0.035 0.000 2.400 311 K HA 0.218 4.539 4.320 0.002 0.000 0.194 311 K C 0.174 176.743 176.600 -0.051 0.000 1.033 311 K CA 0.098 56.356 56.287 -0.048 0.000 1.021 311 K CB -0.233 32.238 32.500 -0.049 0.000 0.808 311 K HN 0.448 nan 8.250 nan 0.000 0.505 312 L N 1.158 122.361 121.223 -0.033 0.000 2.313 312 L HA 0.192 4.533 4.340 0.002 0.000 0.282 312 L C 1.133 177.983 176.870 -0.034 0.000 1.092 312 L CA 0.235 55.059 54.840 -0.026 0.000 0.831 312 L CB 0.433 42.488 42.059 -0.008 0.000 1.159 312 L HN 0.393 nan 8.230 nan 0.000 0.442 313 G N 2.619 111.391 108.800 -0.048 0.000 2.475 313 G HA2 -0.232 3.729 3.960 0.002 0.000 0.223 313 G HA3 -0.232 3.729 3.960 0.002 0.000 0.223 313 G C 0.193 175.024 174.900 -0.114 0.000 1.201 313 G CA 0.377 45.435 45.100 -0.069 0.000 0.962 313 G HN 0.768 nan 8.290 nan 0.000 0.586 314 K N -3.160 117.182 120.400 -0.097 0.000 2.822 314 K HA -0.139 4.183 4.320 0.002 0.000 0.435 314 K C 1.815 178.365 176.600 -0.084 0.000 0.376 314 K CA 2.360 58.589 56.287 -0.095 0.000 1.927 314 K CB -1.500 30.930 32.500 -0.115 0.000 0.613 314 K HN 0.628 nan 8.250 nan 0.000 0.386 315 R N -0.388 120.041 120.500 -0.119 0.000 1.855 315 R HA 0.315 4.656 4.340 0.002 0.000 0.168 315 R C 0.377 176.676 176.300 -0.001 0.000 1.791 315 R CA 1.363 57.429 56.100 -0.056 0.000 1.428 315 R CB -0.806 29.459 30.300 -0.057 0.000 1.037 315 R HN 0.451 nan 8.270 nan 0.000 0.483 316 H N 1.231 120.204 119.070 -0.161 0.000 2.423 316 H HA 0.272 4.829 4.556 0.002 0.000 0.237 316 H C -1.320 173.950 175.328 -0.096 0.000 1.391 316 H CA -0.620 55.371 56.048 -0.095 0.000 1.453 316 H CB -0.217 29.522 29.762 -0.039 0.000 1.484 316 H HN 0.189 nan 8.280 nan 0.000 0.505 317 K N 1.457 121.710 120.400 -0.245 0.000 6.999 317 K HA -0.171 4.150 4.320 0.002 0.000 0.712 317 K C -1.521 175.046 176.600 -0.055 0.000 2.465 317 K CA 1.348 57.542 56.287 -0.154 0.000 1.780 317 K CB -1.001 31.389 32.500 -0.183 0.000 1.897 317 K HN 0.537 nan 8.250 nan 0.000 0.299 318 T N 5.089 119.639 114.554 -0.007 0.000 2.792 318 T HA 0.269 4.620 4.350 0.002 0.000 0.280 318 T C 0.222 175.015 174.700 0.154 0.000 0.990 318 T CA -0.267 61.899 62.100 0.109 0.000 0.960 318 T CB 1.362 70.244 68.868 0.024 0.000 0.939 318 T HN 0.609 nan 8.240 nan 0.000 0.439 319 D N 2.236 122.785 120.400 0.249 0.000 2.084 319 D HA 0.080 4.721 4.640 0.002 0.000 0.199 319 D C 0.386 176.764 176.300 0.130 0.000 0.981 319 D CA 1.067 55.190 54.000 0.206 0.000 0.841 319 D CB 0.180 41.172 40.800 0.319 0.000 0.997 319 D HN 0.454 nan 8.370 nan 0.000 0.454 320 I N 0.423 121.066 120.570 0.121 0.000 2.389 320 I HA 0.525 4.696 4.170 0.002 0.000 0.288 320 I C -0.916 175.249 176.117 0.080 0.000 0.999 320 I CA -0.947 60.395 61.300 0.069 0.000 1.129 320 I CB 1.971 39.987 38.000 0.027 0.000 1.288 320 I HN -0.062 nan 8.210 nan 0.000 0.444 321 A N 6.490 129.345 122.820 0.057 0.000 2.330 321 A HA 0.794 5.115 4.320 0.002 0.000 0.313 321 A C -0.943 176.664 177.584 0.038 0.000 1.124 321 A CA -0.501 51.568 52.037 0.053 0.000 0.774 321 A CB 1.414 20.437 19.000 0.038 0.000 1.198 321 A HN 0.430 nan 8.150 nan 0.000 0.465 322 V N 3.541 123.479 119.914 0.042 0.000 2.378 322 V HA 0.276 4.397 4.120 0.002 0.000 0.288 322 V C -0.487 175.623 176.094 0.027 0.000 1.016 322 V CA -0.421 61.897 62.300 0.030 0.000 0.840 322 V CB 1.402 33.243 31.823 0.031 0.000 0.994 322 V HN 0.812 nan 8.190 nan 0.000 0.431 323 L N 6.056 127.289 121.223 0.018 0.000 2.385 323 L HA 0.743 5.084 4.340 0.002 0.000 0.285 323 L C 0.239 177.117 176.870 0.013 0.000 1.125 323 L CA 0.800 55.648 54.840 0.014 0.000 0.890 323 L CB -0.336 41.728 42.059 0.008 0.000 1.251 323 L HN 0.872 nan 8.230 nan 0.000 0.445 324 A N 3.216 126.046 122.820 0.017 0.000 2.515 324 A HA 0.409 4.730 4.320 0.002 0.000 0.292 324 A C -1.447 176.148 177.584 0.018 0.000 1.065 324 A CA -0.764 51.282 52.037 0.015 0.000 0.641 324 A CB 0.342 19.350 19.000 0.014 0.000 1.306 324 A HN 0.519 nan 8.150 nan 0.000 0.441 325 D N 0.385 120.794 120.400 0.015 0.000 2.399 325 D HA 0.530 5.171 4.640 0.002 0.000 0.241 325 D C 1.204 177.516 176.300 0.020 0.000 1.133 325 D CA 0.743 54.753 54.000 0.017 0.000 0.890 325 D CB 1.423 42.230 40.800 0.011 0.000 1.201 325 D HN 0.808 nan 8.370 nan 0.000 0.432 326 A N 3.168 126.003 122.820 0.024 0.000 1.841 326 A HA -0.185 4.136 4.320 0.002 0.000 0.214 326 A C 1.996 179.587 177.584 0.012 0.000 1.195 326 A CA 1.607 53.661 52.037 0.028 0.000 0.611 326 A CB -0.927 18.096 19.000 0.038 0.000 0.835 326 A HN 0.816 nan 8.150 nan 0.000 0.443 327 Q N -0.133 119.669 119.800 0.003 0.000 2.014 327 Q HA -0.262 4.079 4.340 0.002 0.000 0.207 327 Q C 2.075 178.071 176.000 -0.005 0.000 0.993 327 Q CA 2.265 58.063 55.803 -0.008 0.000 0.850 327 Q CB -0.189 28.544 28.738 -0.008 0.000 0.916 327 Q HN 0.665 nan 8.270 nan 0.000 0.417 328 K N -0.777 119.623 120.400 -0.000 0.000 2.063 328 K HA -0.138 4.183 4.320 0.002 0.000 0.208 328 K C 2.113 178.713 176.600 0.001 0.000 1.048 328 K CA 1.807 58.094 56.287 -0.001 0.000 0.928 328 K CB -0.145 32.356 32.500 0.002 0.000 0.713 328 K HN 0.274 nan 8.250 nan 0.000 0.442 329 T N 1.800 116.358 114.554 0.006 0.000 2.812 329 T HA -0.018 4.333 4.350 0.002 0.000 0.264 329 T C 1.865 176.568 174.700 0.006 0.000 1.042 329 T CA 0.797 62.902 62.100 0.009 0.000 1.140 329 T CB -0.097 68.781 68.868 0.018 0.000 0.870 329 T HN 0.101 nan 8.240 nan 0.000 0.445 330 L N 0.777 122.002 121.223 0.003 0.000 2.131 330 L HA -0.038 4.303 4.340 0.002 0.000 0.210 330 L C 2.946 179.810 176.870 -0.010 0.000 1.092 330 L CA 1.023 55.861 54.840 -0.003 0.000 0.759 330 L CB -0.595 41.456 42.059 -0.013 0.000 0.903 330 L HN 0.252 nan 8.230 nan 0.000 0.435 331 A N -0.078 122.735 122.820 -0.011 0.000 1.930 331 A HA -0.001 4.320 4.320 0.002 0.000 0.215 331 A C 2.564 180.141 177.584 -0.011 0.000 1.176 331 A CA 1.205 53.234 52.037 -0.013 0.000 0.632 331 A CB -0.486 18.506 19.000 -0.013 0.000 0.819 331 A HN 0.344 nan 8.150 nan 0.000 0.445 332 A N 0.351 123.166 122.820 -0.007 0.000 1.908 332 A HA -0.143 4.178 4.320 0.002 0.000 0.218 332 A C 2.101 179.680 177.584 -0.009 0.000 1.181 332 A CA 1.671 53.704 52.037 -0.007 0.000 0.627 332 A CB -0.633 18.364 19.000 -0.004 0.000 0.818 332 A HN 0.507 nan 8.150 nan 0.000 0.445 333 I N -0.945 119.621 120.570 -0.007 0.000 2.202 333 I HA -0.199 3.972 4.170 0.002 0.000 0.242 333 I C 2.291 178.400 176.117 -0.013 0.000 1.091 333 I CA 0.668 61.962 61.300 -0.009 0.000 1.368 333 I CB -0.343 37.654 38.000 -0.004 0.000 1.058 333 I HN 0.209 nan 8.210 nan 0.000 0.410 334 L N 1.089 122.303 121.223 -0.014 0.000 2.043 334 L HA -0.211 4.130 4.340 0.002 0.000 0.212 334 L C 2.684 179.543 176.870 -0.018 0.000 1.075 334 L CA 2.207 57.036 54.840 -0.018 0.000 0.752 334 L CB -1.473 40.574 42.059 -0.020 0.000 0.891 334 L HN 0.241 nan 8.230 nan 0.000 0.432 335 A N -0.829 121.982 122.820 -0.015 0.000 2.125 335 A HA -0.190 4.131 4.320 0.002 0.000 0.219 335 A C 1.893 179.468 177.584 -0.015 0.000 1.156 335 A CA 1.451 53.479 52.037 -0.014 0.000 0.671 335 A CB -0.438 18.555 19.000 -0.012 0.000 0.794 335 A HN 0.722 nan 8.150 nan 0.000 0.459 336 Q N -0.466 119.324 119.800 -0.016 0.000 2.179 336 Q HA 0.378 4.719 4.340 0.002 0.000 0.213 336 Q C -0.096 175.892 176.000 -0.020 0.000 0.833 336 Q CA 0.271 56.064 55.803 -0.017 0.000 0.990 336 Q CB -0.033 28.695 28.738 -0.016 0.000 1.132 336 Q HN 0.524 nan 8.270 nan 0.000 0.493 337 V N -1.994 117.907 119.914 -0.022 0.000 3.141 337 V HA 0.906 5.027 4.120 0.002 0.000 0.312 337 V C -0.557 175.520 176.094 -0.028 0.000 1.157 337 V CA -0.336 61.949 62.300 -0.026 0.000 1.041 337 V CB 1.879 33.684 31.823 -0.029 0.000 1.071 337 V HN 0.312 nan 8.190 nan 0.000 0.441 338 S N -0.141 115.540 115.700 -0.032 0.000 2.732 338 S HA 0.646 5.117 4.470 0.002 0.000 0.293 338 S C -0.504 174.068 174.600 -0.046 0.000 1.159 338 S CA -0.647 57.533 58.200 -0.034 0.000 0.847 338 S CB 1.407 64.590 63.200 -0.028 0.000 1.169 338 S HN 1.242 nan 8.310 nan 0.000 0.501 339 E N 0.635 120.806 120.200 -0.048 0.000 2.529 339 E HA 0.074 4.425 4.350 0.002 0.000 0.259 339 E C -0.319 176.236 176.600 -0.075 0.000 0.966 339 E CA 0.304 56.663 56.400 -0.067 0.000 0.937 339 E CB 0.402 30.067 29.700 -0.058 0.000 0.923 339 E HN 0.399 nan 8.360 nan 0.000 0.468 340 R N 3.351 123.786 120.500 -0.108 0.000 2.643 340 R HA 0.264 4.605 4.340 0.002 0.000 0.272 340 R C -0.251 175.964 176.300 -0.142 0.000 0.995 340 R CA -0.992 55.042 56.100 -0.110 0.000 1.032 340 R CB 1.031 31.259 30.300 -0.120 0.000 1.126 340 R HN 0.592 nan 8.270 nan 0.000 0.505 341 E N 0.813 120.951 120.200 -0.103 0.000 2.345 341 E HA 0.113 4.464 4.350 0.002 0.000 0.259 341 E C -0.242 176.279 176.600 -0.132 0.000 1.117 341 E CA -0.172 56.173 56.400 -0.093 0.000 0.913 341 E CB 0.766 30.445 29.700 -0.035 0.000 1.057 341 E HN 0.428 nan 8.360 nan 0.000 0.432 342 S N 1.142 116.780 115.700 -0.102 0.000 2.573 342 S HA 0.047 4.518 4.470 0.002 0.000 0.297 342 S C 0.463 175.082 174.600 0.032 0.000 1.280 342 S CA 0.111 58.286 58.200 -0.042 0.000 1.061 342 S CB -0.099 63.199 63.200 0.163 0.000 0.812 342 S HN 0.544 nan 8.310 nan 0.000 0.500 343 T N 0.746 115.353 114.554 0.089 0.000 2.952 343 T HA 0.461 4.812 4.350 0.002 0.000 0.286 343 T C -2.318 172.480 174.700 0.164 0.000 1.024 343 T CA -2.230 59.952 62.100 0.137 0.000 1.029 343 T CB 1.240 70.210 68.868 0.170 0.000 1.094 343 T HN 0.141 nan 8.240 nan 0.000 0.515 344 P HA -0.081 nan 4.420 nan 0.000 0.215 344 P C 1.411 178.784 177.300 0.122 0.000 1.153 344 P CA 0.775 63.965 63.100 0.150 0.000 0.853 344 P CB -0.066 31.777 31.700 0.237 0.000 0.788 345 W N -0.185 121.137 121.300 0.035 0.000 2.317 345 W HA -0.222 4.439 4.660 0.002 0.000 0.318 345 W C 2.039 178.571 176.519 0.021 0.000 1.227 345 W CA 1.220 58.584 57.345 0.032 0.000 1.269 345 W CB -1.075 28.419 29.460 0.057 0.000 1.155 345 W HN 0.079 nan 8.180 nan 0.000 0.484 346 W N 1.610 122.824 121.300 -0.144 0.000 2.333 346 W HA -0.281 4.380 4.660 0.002 0.000 0.316 346 W C 2.226 178.491 176.519 -0.423 0.000 1.215 346 W CA 2.136 59.309 57.345 -0.287 0.000 1.278 346 W CB -0.715 28.675 29.460 -0.116 0.000 1.154 346 W HN 0.112 nan 8.180 nan 0.000 0.486 347 Q N 0.309 119.869 119.800 -0.400 0.000 2.170 347 Q HA -0.136 4.205 4.340 0.002 0.000 0.203 347 Q C 2.522 177.903 176.000 -1.032 0.000 0.976 347 Q CA 1.824 57.122 55.803 -0.842 0.000 0.858 347 Q CB -0.580 27.524 28.738 -1.057 0.000 0.907 347 Q HN 0.305 nan 8.270 nan 0.000 0.433 348 A N 1.519 123.843 122.820 -0.827 0.000 1.902 348 A HA -0.210 4.111 4.320 0.002 0.000 0.217 348 A C 1.834 179.146 177.584 -0.454 0.000 1.181 348 A CA 1.509 53.321 52.037 -0.375 0.000 0.623 348 A CB -0.437 18.503 19.000 -0.100 0.000 0.818 348 A HN 0.304 nan 8.150 nan 0.000 0.443 349 N N -0.029 118.278 118.700 -0.654 0.000 2.171 349 N HA -0.037 4.704 4.740 0.002 0.000 0.184 349 N C 1.763 176.895 175.510 -0.630 0.000 1.021 349 N CA 1.145 53.792 53.050 -0.672 0.000 0.854 349 N CB -0.333 37.660 38.487 -0.822 0.000 0.994 349 N HN 0.465 nan 8.380 nan 0.000 0.426 350 L N 0.964 121.744 121.223 -0.738 0.000 2.079 350 L HA -0.178 4.163 4.340 0.002 0.000 0.210 350 L C 2.438 178.989 176.870 -0.532 0.000 1.081 350 L CA 1.247 55.675 54.840 -0.687 0.000 0.752 350 L CB -0.419 41.161 42.059 -0.798 0.000 0.896 350 L HN 0.145 nan 8.230 nan 0.000 0.433 351 A N -0.317 122.168 122.820 -0.559 0.000 1.898 351 A HA -0.191 4.130 4.320 0.002 0.000 0.214 351 A C 2.035 179.062 177.584 -0.928 0.000 1.183 351 A CA 1.593 53.256 52.037 -0.623 0.000 0.622 351 A CB -0.559 18.139 19.000 -0.503 0.000 0.824 351 A HN 0.410 nan 8.150 nan 0.000 0.444 352 N N 0.319 118.472 118.700 -0.912 0.000 2.104 352 N HA -0.139 4.602 4.740 0.002 0.000 0.190 352 N C 1.520 176.846 175.510 -0.307 0.000 1.024 352 N CA 1.817 54.508 53.050 -0.598 0.000 0.853 352 N CB -0.357 37.942 38.487 -0.314 0.000 1.008 352 N HN 0.162 nan 8.380 nan 0.000 0.424 353 V N 0.716 120.442 119.914 -0.312 0.000 2.295 353 V HA -0.194 3.928 4.120 0.002 0.000 0.246 353 V C 2.403 178.439 176.094 -0.096 0.000 1.049 353 V CA 1.718 63.918 62.300 -0.167 0.000 1.024 353 V CB -0.561 31.119 31.823 -0.239 0.000 0.648 353 V HN 0.394 nan 8.190 nan 0.000 0.447 354 K N 0.416 120.702 120.400 -0.190 0.000 2.063 354 K HA -0.267 4.055 4.320 0.002 0.000 0.208 354 K C 2.144 178.708 176.600 -0.060 0.000 1.048 354 K CA 2.058 58.265 56.287 -0.133 0.000 0.928 354 K CB -0.363 32.036 32.500 -0.168 0.000 0.713 354 K HN 0.558 nan 8.250 nan 0.000 0.442 355 N N -0.150 118.509 118.700 -0.067 0.000 2.166 355 N HA -0.211 4.530 4.740 0.002 0.000 0.186 355 N C 1.752 177.367 175.510 0.174 0.000 1.019 355 N CA 1.132 54.220 53.050 0.063 0.000 0.856 355 N CB -0.179 38.382 38.487 0.124 0.000 0.993 355 N HN 0.483 nan 8.380 nan 0.000 0.426 356 W N 1.907 123.180 121.300 -0.045 0.000 2.407 356 W HA -0.077 4.584 4.660 0.002 0.000 0.305 356 W C 1.926 178.459 176.519 0.023 0.000 1.196 356 W CA 0.557 57.902 57.345 -0.000 0.000 1.311 356 W CB -0.074 29.344 29.460 -0.070 0.000 1.135 356 W HN 0.073 nan 8.180 nan 0.000 0.514 357 R N 0.332 120.815 120.500 -0.029 0.000 2.075 357 R HA -0.124 4.217 4.340 0.002 0.000 0.232 357 R C 2.489 178.687 176.300 -0.170 0.000 1.126 357 R CA 1.528 57.517 56.100 -0.185 0.000 0.963 357 R CB -0.942 29.299 30.300 -0.099 0.000 0.858 357 R HN 0.147 nan 8.270 nan 0.000 0.435 358 A N 0.839 123.617 122.820 -0.071 0.000 1.902 358 A HA -0.238 4.083 4.320 0.002 0.000 0.217 358 A C 2.019 179.570 177.584 -0.055 0.000 1.181 358 A CA 1.348 53.355 52.037 -0.050 0.000 0.623 358 A CB -0.777 18.225 19.000 0.003 0.000 0.818 358 A HN 0.477 nan 8.150 nan 0.000 0.443 359 Y N 0.612 120.819 120.300 -0.155 0.000 2.128 359 Y HA -0.194 4.357 4.550 0.002 0.000 0.284 359 Y C 1.902 177.610 175.900 -0.320 0.000 1.154 359 Y CA 1.920 59.904 58.100 -0.193 0.000 1.149 359 Y CB -0.385 37.984 38.460 -0.152 0.000 0.976 359 Y HN 0.217 nan 8.280 nan 0.000 0.505 360 L N -0.265 120.579 121.223 -0.631 0.000 2.056 360 L HA -0.173 4.168 4.340 0.002 0.000 0.207 360 L C 2.802 179.411 176.870 -0.436 0.000 1.078 360 L CA 1.144 55.539 54.840 -0.741 0.000 0.749 360 L CB -1.018 40.555 42.059 -0.809 0.000 0.901 360 L HN 0.345 nan 8.230 nan 0.000 0.433 361 A N 0.125 122.764 122.820 -0.302 0.000 1.972 361 A HA -0.205 4.117 4.320 0.002 0.000 0.219 361 A C 2.532 180.006 177.584 -0.184 0.000 1.169 361 A CA 1.833 53.756 52.037 -0.189 0.000 0.635 361 A CB -0.602 18.318 19.000 -0.134 0.000 0.810 361 A HN 0.532 nan 8.150 nan 0.000 0.446 362 S N 0.177 115.746 115.700 -0.218 0.000 2.383 362 S HA -0.105 4.366 4.470 0.002 0.000 0.227 362 S C 1.893 176.362 174.600 -0.219 0.000 1.026 362 S CA 1.377 59.471 58.200 -0.177 0.000 0.981 362 S CB -0.762 62.360 63.200 -0.130 0.000 0.818 362 S HN 0.469 nan 8.310 nan 0.000 0.472 363 L N 1.165 122.164 121.223 -0.372 0.000 2.017 363 L HA -0.088 4.253 4.340 0.002 0.000 0.208 363 L C 2.964 179.734 176.870 -0.166 0.000 1.073 363 L CA 1.857 56.475 54.840 -0.370 0.000 0.745 363 L CB -0.701 40.877 42.059 -0.802 0.000 0.894 363 L HN 0.403 nan 8.230 nan 0.000 0.432 364 E N -0.066 120.045 120.200 -0.149 0.000 2.150 364 E HA -0.183 4.168 4.350 0.002 0.000 0.193 364 E C 1.254 177.804 176.600 -0.083 0.000 0.985 364 E CA 1.040 57.386 56.400 -0.091 0.000 0.814 364 E CB 0.009 29.667 29.700 -0.070 0.000 0.752 364 E HN 0.461 nan 8.360 nan 0.000 0.466 365 D N 0.738 121.086 120.400 -0.087 0.000 2.340 365 D HA 0.012 4.653 4.640 0.002 0.000 0.220 365 D C -0.019 176.247 176.300 -0.057 0.000 1.039 365 D CA 0.307 54.266 54.000 -0.069 0.000 0.866 365 D CB 0.115 40.875 40.800 -0.067 0.000 0.913 365 D HN 0.050 nan 8.370 nan 0.000 0.523 366 K N 0.946 121.313 120.400 -0.054 0.000 2.518 366 K HA -0.022 4.299 4.320 0.002 0.000 0.276 366 K C 1.133 177.711 176.600 -0.037 0.000 0.974 366 K CA 0.435 56.699 56.287 -0.038 0.000 0.986 366 K CB 0.786 33.270 32.500 -0.026 0.000 0.901 366 K HN 0.023 nan 8.250 nan 0.000 0.497 367 Q N 1.400 121.182 119.800 -0.029 0.000 2.316 367 Q HA 0.120 4.461 4.340 0.002 0.000 0.235 367 Q C -0.201 175.785 176.000 -0.022 0.000 0.863 367 Q CA 0.645 56.431 55.803 -0.028 0.000 0.939 367 Q CB 1.148 29.872 28.738 -0.023 0.000 1.108 367 Q HN 0.604 nan 8.270 nan 0.000 0.522 368 E N -0.986 119.203 120.200 -0.018 0.000 2.372 368 E HA 0.568 4.919 4.350 0.002 0.000 0.279 368 E C -0.779 175.814 176.600 -0.012 0.000 0.946 368 E CA -0.289 56.103 56.400 -0.014 0.000 0.769 368 E CB 2.381 32.075 29.700 -0.011 0.000 1.230 368 E HN 0.161 nan 8.360 nan 0.000 0.442 369 G N 1.709 110.502 108.800 -0.010 0.000 2.343 369 G HA2 -0.070 3.891 3.960 0.002 0.000 0.562 369 G HA3 -0.070 3.891 3.960 0.002 0.000 0.562 369 G C -3.009 171.885 174.900 -0.011 0.000 1.269 369 G CA -1.274 43.821 45.100 -0.009 0.000 1.011 369 G HN 0.344 nan 8.290 nan 0.000 0.498 370 P HA 0.354 nan 4.420 nan 0.000 0.264 370 P C 0.208 177.495 177.300 -0.022 0.000 1.193 370 P CA -0.287 62.803 63.100 -0.015 0.000 0.763 370 P CB 0.593 32.284 31.700 -0.015 0.000 0.810 371 L N 4.619 125.824 121.223 -0.030 0.000 2.453 371 L HA 0.077 4.418 4.340 0.002 0.000 0.272 371 L C 0.169 176.997 176.870 -0.069 0.000 1.182 371 L CA 0.912 55.724 54.840 -0.046 0.000 0.858 371 L CB -0.262 41.770 42.059 -0.045 0.000 1.120 371 L HN 0.401 nan 8.230 nan 0.000 0.474 372 Q N 2.985 122.726 119.800 -0.098 0.000 2.416 372 Q HA 0.581 4.922 4.340 0.002 0.000 0.279 372 Q C 0.812 176.657 176.000 -0.259 0.000 1.101 372 Q CA -0.300 55.380 55.803 -0.206 0.000 0.830 372 Q CB 1.565 30.160 28.738 -0.239 0.000 1.402 372 Q HN 0.772 nan 8.270 nan 0.000 0.445 373 A N 0.363 122.962 122.820 -0.367 0.000 1.940 373 A HA -0.227 4.094 4.320 0.002 0.000 0.219 373 A C 1.392 178.847 177.584 -0.215 0.000 1.176 373 A CA 1.725 53.682 52.037 -0.133 0.000 0.631 373 A CB -0.746 18.174 19.000 -0.133 0.000 0.814 373 A HN 0.762 nan 8.150 nan 0.000 0.446 374 Y N 0.047 120.232 120.300 -0.191 0.000 2.165 374 Y HA -0.229 4.322 4.550 0.002 0.000 0.286 374 Y C 2.595 178.278 175.900 -0.362 0.000 1.155 374 Y CA 1.629 59.442 58.100 -0.478 0.000 1.164 374 Y CB -1.065 37.179 38.460 -0.359 0.000 0.978 374 Y HN 0.377 nan 8.280 nan 0.000 0.513 375 Q N -0.293 119.463 119.800 -0.074 0.000 2.172 375 Q HA -0.061 4.280 4.340 0.002 0.000 0.200 375 Q C 2.373 178.259 176.000 -0.190 0.000 0.964 375 Q CA 1.192 56.925 55.803 -0.116 0.000 0.855 375 Q CB -0.576 28.111 28.738 -0.085 0.000 0.918 375 Q HN 0.341 nan 8.270 nan 0.000 0.444 376 V N 0.538 120.351 119.914 -0.169 0.000 2.332 376 V HA -0.254 3.867 4.120 0.002 0.000 0.248 376 V C 1.993 177.953 176.094 -0.223 0.000 1.055 376 V CA 1.620 63.789 62.300 -0.219 0.000 1.038 376 V CB -0.520 31.167 31.823 -0.226 0.000 0.651 376 V HN 0.331 nan 8.190 nan 0.000 0.450 377 L N -0.349 120.818 121.223 -0.094 0.000 2.156 377 L HA -0.072 4.269 4.340 0.002 0.000 0.208 377 L C 2.749 179.528 176.870 -0.153 0.000 1.095 377 L CA 1.180 55.975 54.840 -0.075 0.000 0.770 377 L CB -0.638 41.391 42.059 -0.051 0.000 0.914 377 L HN 0.244 nan 8.230 nan 0.000 0.439 378 R N 1.047 121.440 120.500 -0.178 0.000 2.105 378 R HA -0.176 4.165 4.340 0.002 0.000 0.239 378 R C 2.030 178.191 176.300 -0.232 0.000 1.135 378 R CA 1.742 57.747 56.100 -0.159 0.000 0.967 378 R CB -0.219 30.000 30.300 -0.135 0.000 0.861 378 R HN 0.348 nan 8.270 nan 0.000 0.442 379 A N 0.242 122.818 122.820 -0.407 0.000 2.016 379 A HA 0.002 4.323 4.320 0.002 0.000 0.217 379 A C 2.360 179.595 177.584 -0.581 0.000 1.162 379 A CA 0.939 52.596 52.037 -0.634 0.000 0.662 379 A CB -0.238 18.041 19.000 -1.201 0.000 0.812 379 A HN 0.177 nan 8.150 nan 0.000 0.450 380 V N 1.105 120.755 119.914 -0.441 0.000 2.261 380 V HA -0.273 3.848 4.120 0.002 0.000 0.246 380 V C 2.332 178.373 176.094 -0.089 0.000 1.047 380 V CA 2.144 64.365 62.300 -0.132 0.000 1.015 380 V CB -0.910 30.821 31.823 -0.153 0.000 0.642 380 V HN 0.550 nan 8.190 nan 0.000 0.446 381 N N 0.165 118.799 118.700 -0.110 0.000 2.061 381 N HA -0.195 4.546 4.740 0.002 0.000 0.193 381 N C 1.869 177.375 175.510 -0.007 0.000 1.030 381 N CA 1.299 54.318 53.050 -0.051 0.000 0.856 381 N CB -0.377 38.071 38.487 -0.064 0.000 1.023 381 N HN 0.366 nan 8.380 nan 0.000 0.424 382 K N 1.101 121.479 120.400 -0.037 0.000 2.103 382 K HA -0.099 4.222 4.320 0.002 0.000 0.207 382 K C 1.851 178.485 176.600 0.058 0.000 1.048 382 K CA 0.836 57.119 56.287 -0.007 0.000 0.930 382 K CB -0.147 32.324 32.500 -0.049 0.000 0.716 382 K HN 0.457 nan 8.250 nan 0.000 0.444 383 I N -2.839 117.807 120.570 0.126 0.000 3.956 383 I HA 0.245 4.416 4.170 0.002 0.000 0.333 383 I C 0.473 176.740 176.117 0.250 0.000 1.302 383 I CA -0.434 60.981 61.300 0.191 0.000 1.122 383 I CB 0.417 38.576 38.000 0.266 0.000 1.013 383 I HN -0.252 nan 8.210 nan 0.000 0.405 384 A N 2.093 125.065 122.820 0.253 0.000 2.363 384 A HA 0.390 4.711 4.320 0.002 0.000 0.270 384 A C 0.353 178.053 177.584 0.194 0.000 1.121 384 A CA -0.377 51.854 52.037 0.324 0.000 0.800 384 A CB 0.281 19.446 19.000 0.275 0.000 1.052 384 A HN 0.391 nan 8.150 nan 0.000 0.493 385 E N 3.106 123.408 120.200 0.169 0.000 2.371 385 E HA 0.128 4.479 4.350 0.002 0.000 0.257 385 E C -1.540 175.121 176.600 0.101 0.000 1.134 385 E CA -1.481 54.978 56.400 0.097 0.000 0.919 385 E CB 0.254 29.988 29.700 0.057 0.000 1.025 385 E HN 0.500 nan 8.360 nan 0.000 0.438 386 P HA -0.117 nan 4.420 nan 0.000 0.223 386 P C 0.305 177.644 177.300 0.065 0.000 1.151 386 P CA 1.169 64.309 63.100 0.066 0.000 0.787 386 P CB 0.198 31.924 31.700 0.044 0.000 0.788 387 D N -0.772 119.657 120.400 0.048 0.000 2.615 387 D HA 0.263 4.904 4.640 0.002 0.000 0.236 387 D C 0.272 176.583 176.300 0.018 0.000 1.233 387 D CA -0.838 53.178 54.000 0.027 0.000 0.829 387 D CB -0.454 40.344 40.800 -0.002 0.000 1.024 387 D HN -0.014 nan 8.370 nan 0.000 0.490 388 A N 0.549 123.404 122.820 0.059 0.000 2.483 388 A HA 0.440 4.761 4.320 0.002 0.000 0.238 388 A C 0.271 177.836 177.584 -0.031 0.000 1.070 388 A CA -0.165 51.871 52.037 -0.002 0.000 0.770 388 A CB 0.251 19.273 19.000 0.037 0.000 1.008 388 A HN 0.411 nan 8.150 nan 0.000 0.497 389 I N 0.771 121.284 120.570 -0.095 0.000 2.441 389 I HA 0.347 4.518 4.170 0.002 0.000 0.295 389 I C -1.282 174.809 176.117 -0.044 0.000 0.994 389 I CA -0.345 60.960 61.300 0.008 0.000 1.144 389 I CB 1.529 39.539 38.000 0.018 0.000 1.314 389 I HN 0.605 nan 8.210 nan 0.000 0.445 390 Y N 3.602 124.036 120.300 0.224 0.000 2.326 390 Y HA 0.295 4.846 4.550 0.002 0.000 0.331 390 Y C 0.382 176.408 175.900 0.210 0.000 0.962 390 Y CA -0.549 57.696 58.100 0.240 0.000 1.167 390 Y CB 1.972 40.527 38.460 0.159 0.000 1.148 390 Y HN 0.412 nan 8.280 nan 0.000 0.463 391 S N 4.955 120.838 115.700 0.305 0.000 2.452 391 S HA 0.654 5.125 4.470 0.002 0.000 0.284 391 S C -0.620 174.116 174.600 0.227 0.000 1.171 391 S CA -0.355 57.981 58.200 0.227 0.000 1.064 391 S CB -0.167 63.128 63.200 0.158 0.000 0.967 391 S HN 0.557 nan 8.310 nan 0.000 0.484 392 I N 4.165 124.855 120.570 0.200 0.000 2.465 392 I HA 0.344 4.515 4.170 0.002 0.000 0.291 392 I C 0.584 176.759 176.117 0.096 0.000 1.014 392 I CA -0.790 60.608 61.300 0.163 0.000 1.093 392 I CB 1.756 39.877 38.000 0.201 0.000 1.267 392 I HN 0.602 nan 8.210 nan 0.000 0.431 393 D N 3.831 124.262 120.400 0.051 0.000 2.348 393 D HA 0.328 4.969 4.640 0.002 0.000 0.272 393 D C -0.849 175.427 176.300 -0.040 0.000 1.237 393 D CA 0.048 54.052 54.000 0.006 0.000 1.042 393 D CB 1.494 42.295 40.800 0.002 0.000 1.117 393 D HN 0.096 nan 8.370 nan 0.000 0.548 394 V N -0.192 119.675 119.914 -0.078 0.000 2.487 394 V HA 0.675 4.796 4.120 0.002 0.000 0.298 394 V C 0.754 176.744 176.094 -0.174 0.000 1.028 394 V CA 0.149 62.354 62.300 -0.157 0.000 0.860 394 V CB 0.806 32.522 31.823 -0.180 0.000 0.991 394 V HN 0.892 nan 8.190 nan 0.000 0.427 395 G N 3.621 112.260 108.800 -0.268 0.000 2.347 395 G HA2 0.010 3.971 3.960 0.002 0.000 0.224 395 G HA3 0.010 3.971 3.960 0.002 0.000 0.224 395 G C -0.149 174.688 174.900 -0.106 0.000 1.318 395 G CA -0.005 44.959 45.100 -0.226 0.000 1.016 395 G HN 0.414 nan 8.290 nan 0.000 0.469 396 D N -0.327 120.159 120.400 0.143 0.000 2.265 396 D HA -0.058 4.583 4.640 0.002 0.000 0.208 396 D C 2.352 178.671 176.300 0.032 0.000 0.977 396 D CA 0.994 55.122 54.000 0.214 0.000 0.871 396 D CB 0.037 40.922 40.800 0.141 0.000 0.925 396 D HN 0.277 nan 8.370 nan 0.000 0.485 397 I N 1.308 121.813 120.570 -0.107 0.000 2.264 397 I HA -0.287 3.884 4.170 0.002 0.000 0.248 397 I C 1.373 177.451 176.117 -0.065 0.000 1.111 397 I CA 1.405 62.568 61.300 -0.230 0.000 1.382 397 I CB -0.274 37.524 38.000 -0.336 0.000 1.060 397 I HN -0.032 nan 8.210 nan 0.000 0.418 398 N N 0.177 118.879 118.700 0.004 0.000 2.084 398 N HA -0.217 4.524 4.740 0.002 0.000 0.190 398 N C 1.950 177.620 175.510 0.266 0.000 1.030 398 N CA 1.690 54.842 53.050 0.170 0.000 0.849 398 N CB -0.410 38.070 38.487 -0.010 0.000 1.012 398 N HN 0.411 nan 8.380 nan 0.000 0.423 399 L N 1.029 122.377 121.223 0.209 0.000 1.989 399 L HA -0.201 4.140 4.340 0.002 0.000 0.211 399 L C 1.623 178.613 176.870 0.200 0.000 1.071 399 L CA 1.449 56.433 54.840 0.240 0.000 0.749 399 L CB -0.259 41.966 42.059 0.276 0.000 0.890 399 L HN 0.232 nan 8.230 nan 0.000 0.431 400 N N 0.314 119.109 118.700 0.158 0.000 2.106 400 N HA -0.145 4.596 4.740 0.002 0.000 0.188 400 N C 1.782 177.392 175.510 0.167 0.000 1.029 400 N CA 1.602 54.775 53.050 0.204 0.000 0.848 400 N CB -0.464 38.070 38.487 0.079 0.000 1.007 400 N HN 0.498 nan 8.380 nan 0.000 0.423 401 A N 1.075 123.911 122.820 0.027 0.000 1.969 401 A HA -0.116 4.205 4.320 0.002 0.000 0.218 401 A C 2.111 179.639 177.584 -0.094 0.000 1.169 401 A CA 1.352 53.359 52.037 -0.050 0.000 0.635 401 A CB -0.661 18.278 19.000 -0.101 0.000 0.810 401 A HN 0.275 nan 8.150 nan 0.000 0.445 402 N N -0.105 118.570 118.700 -0.043 0.000 2.149 402 N HA -0.158 4.584 4.740 0.002 0.000 0.188 402 N C 1.816 177.298 175.510 -0.047 0.000 1.019 402 N CA 1.784 54.769 53.050 -0.108 0.000 0.857 402 N CB -0.232 38.257 38.487 0.004 0.000 0.997 402 N HN 0.553 nan 8.380 nan 0.000 0.426 403 R N -1.547 118.942 120.500 -0.018 0.000 2.090 403 R HA 0.101 4.442 4.340 0.002 0.000 0.219 403 R C 1.737 177.834 176.300 -0.337 0.000 1.100 403 R CA 0.889 56.902 56.100 -0.146 0.000 0.991 403 R CB -0.177 29.976 30.300 -0.244 0.000 0.893 403 R HN 0.467 nan 8.270 nan 0.000 0.443 404 H N 0.118 119.135 119.070 -0.089 0.000 2.486 404 H HA 0.160 4.717 4.556 0.002 0.000 0.287 404 H C 0.685 175.920 175.328 -0.155 0.000 1.010 404 H CA 0.180 56.156 56.048 -0.121 0.000 1.324 404 H CB 0.298 30.009 29.762 -0.085 0.000 1.446 404 H HN 0.013 nan 8.280 nan 0.000 0.537 405 L N 2.486 123.640 121.223 -0.115 0.000 2.456 405 L HA 0.046 4.387 4.340 0.002 0.000 0.272 405 L C 0.441 177.187 176.870 -0.207 0.000 1.189 405 L CA 0.227 54.916 54.840 -0.251 0.000 0.846 405 L CB 0.532 42.288 42.059 -0.506 0.000 1.111 405 L HN -0.108 nan 8.230 nan 0.000 0.475 406 K N 6.037 126.335 120.400 -0.171 0.000 2.357 406 K HA 0.459 4.780 4.320 0.002 0.000 0.251 406 K C -0.745 175.795 176.600 -0.101 0.000 1.069 406 K CA -0.269 55.954 56.287 -0.107 0.000 0.994 406 K CB 1.036 33.500 32.500 -0.061 0.000 1.411 406 K HN 0.492 nan 8.250 nan 0.000 0.450 407 L N 1.573 122.720 121.223 -0.127 0.000 2.352 407 L HA 0.472 4.813 4.340 0.002 0.000 0.269 407 L C 0.882 177.721 176.870 -0.051 0.000 1.034 407 L CA -0.630 54.155 54.840 -0.093 0.000 0.806 407 L CB 1.634 43.599 42.059 -0.158 0.000 1.244 407 L HN 0.572 nan 8.230 nan 0.000 0.447 408 T N -2.834 111.715 114.554 -0.008 0.000 2.864 408 T HA 0.409 4.760 4.350 0.002 0.000 0.289 408 T C -2.371 172.334 174.700 0.009 0.000 1.082 408 T CA -1.842 60.253 62.100 -0.009 0.000 1.009 408 T CB 1.809 70.679 68.868 0.004 0.000 1.234 408 T HN 0.225 nan 8.240 nan 0.000 0.526 409 P HA -0.018 nan 4.420 nan 0.000 0.222 409 P C 1.232 178.543 177.300 0.019 0.000 1.142 409 P CA 0.854 63.959 63.100 0.008 0.000 0.788 409 P CB -0.088 31.606 31.700 -0.010 0.000 0.767 410 S N -1.839 113.873 115.700 0.021 0.000 2.527 410 S HA 0.032 4.503 4.470 0.002 0.000 0.222 410 S C 0.817 175.435 174.600 0.030 0.000 0.985 410 S CA 0.249 58.461 58.200 0.019 0.000 0.921 410 S CB -0.665 62.547 63.200 0.020 0.000 0.772 410 S HN 0.333 nan 8.310 nan 0.000 0.529 411 N N 1.125 119.866 118.700 0.068 0.000 2.434 411 N HA 0.393 5.134 4.740 0.002 0.000 0.266 411 N C -0.165 175.420 175.510 0.125 0.000 1.223 411 N CA -0.359 52.765 53.050 0.125 0.000 0.972 411 N CB 0.539 39.148 38.487 0.202 0.000 1.207 411 N HN -0.048 nan 8.380 nan 0.000 0.525 412 R N 0.397 120.999 120.500 0.170 0.000 2.725 412 R HA 0.383 4.724 4.340 0.002 0.000 0.277 412 R C -1.215 175.284 176.300 0.332 0.000 0.987 412 R CA -0.826 55.379 56.100 0.173 0.000 0.901 412 R CB 1.198 31.529 30.300 0.052 0.000 1.207 412 R HN 0.910 nan 8.270 nan 0.000 0.463 413 H N -0.556 118.606 119.070 0.153 0.000 2.851 413 H HA 0.790 5.347 4.556 0.002 0.000 0.372 413 H C -0.318 175.110 175.328 0.166 0.000 1.158 413 H CA -1.062 55.098 56.048 0.186 0.000 1.159 413 H CB 1.908 31.750 29.762 0.134 0.000 1.757 413 H HN 0.558 nan 8.280 nan 0.000 0.546 414 I N -0.201 120.480 120.570 0.184 0.000 2.769 414 I HA 0.817 4.989 4.170 0.002 0.000 0.298 414 I C -1.009 175.209 176.117 0.169 0.000 1.128 414 I CA -0.785 60.583 61.300 0.113 0.000 1.031 414 I CB 2.571 40.634 38.000 0.106 0.000 1.235 414 I HN 0.779 nan 8.210 nan 0.000 0.423 415 T N 1.487 116.123 114.554 0.136 0.000 2.711 415 T HA 0.336 4.687 4.350 0.002 0.000 0.302 415 T C -1.271 173.465 174.700 0.060 0.000 1.373 415 T CA -0.423 61.742 62.100 0.110 0.000 1.000 415 T CB 1.973 70.928 68.868 0.144 0.000 1.483 415 T HN 0.792 nan 8.240 nan 0.000 0.499 416 S N 1.761 117.476 115.700 0.025 0.000 2.399 416 S HA 0.322 4.793 4.470 0.002 0.000 0.301 416 S C 0.864 175.451 174.600 -0.021 0.000 1.093 416 S CA -0.550 57.667 58.200 0.027 0.000 1.077 416 S CB -0.388 62.835 63.200 0.039 0.000 0.980 416 S HN 0.557 nan 8.310 nan 0.000 0.494 417 N N 4.211 122.910 118.700 -0.000 0.000 2.176 417 N HA 0.010 4.751 4.740 0.002 0.000 0.187 417 N C 1.196 176.687 175.510 -0.032 0.000 1.043 417 N CA 0.831 53.853 53.050 -0.047 0.000 0.851 417 N CB -0.285 38.210 38.487 0.014 0.000 1.018 417 N HN 0.433 nan 8.380 nan 0.000 0.436 418 L N 0.120 121.366 121.223 0.040 0.000 2.168 418 L HA 0.111 4.452 4.340 0.002 0.000 0.203 418 L C 1.950 178.887 176.870 0.111 0.000 1.078 418 L CA 0.877 55.753 54.840 0.061 0.000 0.780 418 L CB -0.965 41.150 42.059 0.092 0.000 0.939 418 L HN 0.044 nan 8.230 nan 0.000 0.451 419 F N 1.223 121.156 119.950 -0.029 0.000 2.259 419 F HA 0.131 4.658 4.527 0.001 0.000 0.298 419 F C 1.645 177.407 175.800 -0.063 0.000 1.088 419 F CA 0.372 58.353 58.000 -0.032 0.000 1.358 419 F CB -0.289 38.713 39.000 0.004 0.000 1.040 419 F HN 0.160 nan 8.300 nan 0.000 0.505 420 A N 0.981 123.760 122.820 -0.068 0.000 2.687 420 A HA -0.255 4.066 4.320 0.002 0.000 0.299 420 A C 0.790 178.212 177.584 -0.270 0.000 1.497 420 A CA 0.969 52.895 52.037 -0.185 0.000 0.751 420 A CB -2.682 16.181 19.000 -0.227 0.000 1.048 420 A HN 0.464 nan 8.150 nan 0.000 0.464 421 T N 0.458 114.893 114.554 -0.199 0.000 2.834 421 T HA 0.508 4.859 4.350 0.002 0.000 0.298 421 T C 0.696 175.332 174.700 -0.107 0.000 0.966 421 T CA -0.001 61.991 62.100 -0.181 0.000 1.141 421 T CB -0.100 68.782 68.868 0.024 0.000 0.905 421 T HN 0.451 nan 8.240 nan 0.000 0.535 422 M N 3.787 123.312 119.600 -0.126 0.000 2.232 422 M HA 0.368 4.849 4.480 0.002 0.000 0.321 422 M C 1.676 177.943 176.300 -0.055 0.000 1.101 422 M CA 1.170 56.420 55.300 -0.083 0.000 1.181 422 M CB 0.482 33.035 32.600 -0.080 0.000 1.432 422 M HN 0.993 nan 8.290 nan 0.000 0.457 423 G N -0.180 108.598 108.800 -0.037 0.000 2.195 423 G HA2 -0.226 3.735 3.960 0.002 0.000 0.224 423 G HA3 -0.226 3.735 3.960 0.002 0.000 0.224 423 G C 0.431 175.312 174.900 -0.031 0.000 0.990 423 G CA 0.264 45.341 45.100 -0.039 0.000 0.639 423 G HN 0.828 nan 8.290 nan 0.000 0.514 424 V N -0.221 119.683 119.914 -0.017 0.000 3.306 424 V HA 0.446 4.567 4.120 0.002 0.000 0.264 424 V C 2.481 178.583 176.094 0.013 0.000 1.149 424 V CA 1.752 64.049 62.300 -0.006 0.000 1.143 424 V CB -0.669 31.160 31.823 0.011 0.000 0.767 424 V HN 0.883 nan 8.190 nan 0.000 0.476 425 G N 1.398 110.212 108.800 0.023 0.000 2.514 425 G HA2 -0.250 3.711 3.960 0.002 0.000 0.217 425 G HA3 -0.250 3.711 3.960 0.002 0.000 0.217 425 G C 1.451 176.377 174.900 0.044 0.000 1.198 425 G CA 1.590 46.720 45.100 0.051 0.000 0.780 425 G HN 0.527 nan 8.290 nan 0.000 0.565 426 I N 1.720 122.302 120.570 0.021 0.000 2.099 426 I HA -0.118 4.053 4.170 0.002 0.000 0.239 426 I C -0.067 176.047 176.117 -0.005 0.000 1.066 426 I CA 1.250 62.558 61.300 0.013 0.000 1.324 426 I CB -0.845 37.160 38.000 0.007 0.000 1.037 426 I HN 0.169 nan 8.210 nan 0.000 0.401 427 P HA -0.163 nan 4.420 nan 0.000 0.216 427 P C 1.572 178.840 177.300 -0.054 0.000 1.153 427 P CA 1.921 64.970 63.100 -0.085 0.000 0.858 427 P CB -0.299 31.333 31.700 -0.114 0.000 0.789 428 G N -0.234 108.563 108.800 -0.004 0.000 2.408 428 G HA2 -0.196 3.765 3.960 0.002 0.000 0.217 428 G HA3 -0.196 3.765 3.960 0.002 0.000 0.217 428 G C 1.640 176.578 174.900 0.064 0.000 1.150 428 G CA 0.874 45.997 45.100 0.038 0.000 0.776 428 G HN 0.338 nan 8.290 nan 0.000 0.542 429 A N 0.714 123.570 122.820 0.060 0.000 1.929 429 A HA 0.131 4.452 4.320 0.002 0.000 0.216 429 A C 2.364 179.975 177.584 0.046 0.000 1.176 429 A CA 1.023 53.098 52.037 0.064 0.000 0.628 429 A CB -0.291 18.744 19.000 0.058 0.000 0.816 429 A HN 0.362 nan 8.150 nan 0.000 0.444 430 I N 0.007 120.593 120.570 0.027 0.000 2.127 430 I HA -0.329 3.842 4.170 0.002 0.000 0.241 430 I C 3.007 179.151 176.117 0.046 0.000 1.075 430 I CA 1.276 62.591 61.300 0.024 0.000 1.334 430 I CB -0.465 37.542 38.000 0.011 0.000 1.040 430 I HN 0.349 nan 8.210 nan 0.000 0.405 431 A N 0.760 123.625 122.820 0.075 0.000 1.908 431 A HA -0.217 4.104 4.320 0.002 0.000 0.218 431 A C 2.550 180.214 177.584 0.133 0.000 1.181 431 A CA 2.148 54.278 52.037 0.154 0.000 0.627 431 A CB -0.974 18.117 19.000 0.152 0.000 0.818 431 A HN 0.467 nan 8.150 nan 0.000 0.445 432 A N -0.460 122.445 122.820 0.142 0.000 1.877 432 A HA -0.183 4.139 4.320 0.002 0.000 0.216 432 A C 2.108 179.802 177.584 0.184 0.000 1.186 432 A CA 2.331 54.497 52.037 0.215 0.000 0.620 432 A CB -0.450 18.658 19.000 0.181 0.000 0.822 432 A HN 0.450 nan 8.150 nan 0.000 0.443 433 K N -0.389 120.061 120.400 0.084 0.000 2.148 433 K HA 0.053 4.374 4.320 0.002 0.000 0.204 433 K C 1.739 178.329 176.600 -0.017 0.000 1.050 433 K CA 1.013 57.325 56.287 0.040 0.000 0.942 433 K CB -0.365 32.141 32.500 0.010 0.000 0.724 433 K HN 0.496 nan 8.250 nan 0.000 0.446 434 L N 0.440 121.611 121.223 -0.086 0.000 2.109 434 L HA -0.129 4.213 4.340 0.002 0.000 0.207 434 L C 1.814 178.558 176.870 -0.210 0.000 1.086 434 L CA 0.886 55.578 54.840 -0.245 0.000 0.760 434 L CB -0.360 41.356 42.059 -0.572 0.000 0.910 434 L HN 0.240 nan 8.230 nan 0.000 0.437 435 N N -0.570 118.037 118.700 -0.154 0.000 2.270 435 N HA -0.109 4.632 4.740 0.002 0.000 0.181 435 N C -0.141 175.035 175.510 -0.557 0.000 1.016 435 N CA 1.122 53.960 53.050 -0.353 0.000 0.870 435 N CB 0.175 38.339 38.487 -0.538 0.000 0.979 435 N HN 0.295 nan 8.380 nan 0.000 0.431 436 Y N -0.468 119.852 120.300 0.033 0.000 2.584 436 Y HA 0.352 4.903 4.550 0.002 0.000 0.358 436 Y C -1.883 174.018 175.900 0.001 0.000 1.028 436 Y CA -1.924 56.190 58.100 0.024 0.000 1.148 436 Y CB 1.501 39.979 38.460 0.031 0.000 1.126 436 Y HN -0.026 nan 8.280 nan 0.000 0.658 437 P HA -0.150 nan 4.420 nan 0.000 0.226 437 P C 1.246 178.570 177.300 0.040 0.000 1.153 437 P CA 1.256 64.378 63.100 0.037 0.000 0.777 437 P CB 0.461 32.163 31.700 0.003 0.000 0.794 438 E N 0.067 120.306 120.200 0.066 0.000 2.489 438 E HA -0.007 4.344 4.350 0.002 0.000 0.193 438 E C 0.325 176.945 176.600 0.032 0.000 1.057 438 E CA 0.236 56.661 56.400 0.042 0.000 0.866 438 E CB -0.133 29.596 29.700 0.049 0.000 0.916 438 E HN 0.214 nan 8.360 nan 0.000 0.500 439 R N 0.906 121.436 120.500 0.051 0.000 2.532 439 R HA 0.279 4.620 4.340 0.002 0.000 0.295 439 R C -0.017 176.262 176.300 -0.035 0.000 0.968 439 R CA -0.615 55.491 56.100 0.009 0.000 0.916 439 R CB 1.537 31.838 30.300 0.002 0.000 1.124 439 R HN 0.108 nan 8.270 nan 0.000 0.463 440 Q N 1.932 121.687 119.800 -0.076 0.000 2.332 440 Q HA 0.217 4.558 4.340 0.002 0.000 0.263 440 Q C -1.148 174.729 176.000 -0.205 0.000 0.979 440 Q CA 0.020 55.723 55.803 -0.167 0.000 0.885 440 Q CB 0.974 29.614 28.738 -0.163 0.000 1.218 440 Q HN 0.317 nan 8.270 nan 0.000 0.405 441 V N 5.261 124.996 119.914 -0.298 0.000 2.577 441 V HA 0.434 4.555 4.120 0.002 0.000 0.303 441 V C -1.003 174.886 176.094 -0.341 0.000 1.042 441 V CA -0.615 61.562 62.300 -0.206 0.000 0.872 441 V CB 1.319 33.101 31.823 -0.067 0.000 0.998 441 V HN 0.653 nan 8.190 nan 0.000 0.423 442 F N 2.703 122.562 119.950 -0.152 0.000 2.470 442 F HA 0.576 5.104 4.527 0.002 0.000 0.329 442 F C 0.377 176.209 175.800 0.054 0.000 1.072 442 F CA -0.620 57.358 58.000 -0.036 0.000 0.989 442 F CB 1.630 40.620 39.000 -0.017 0.000 1.193 442 F HN 0.513 nan 8.300 nan 0.000 0.481 443 N N 2.528 121.398 118.700 0.284 0.000 2.483 443 N HA 0.406 5.148 4.740 0.002 0.000 0.267 443 N C -1.906 173.770 175.510 0.276 0.000 0.998 443 N CA -0.333 52.854 53.050 0.229 0.000 0.918 443 N CB 0.643 39.208 38.487 0.130 0.000 1.215 443 N HN 0.561 nan 8.380 nan 0.000 0.500 444 L N 2.402 123.796 121.223 0.285 0.000 2.272 444 L HA 0.842 5.183 4.340 0.002 0.000 0.289 444 L C -0.187 176.790 176.870 0.178 0.000 1.032 444 L CA -0.873 54.153 54.840 0.311 0.000 0.810 444 L CB 1.285 43.493 42.059 0.248 0.000 1.205 444 L HN 0.653 nan 8.230 nan 0.000 0.422 445 A N 2.374 125.326 122.820 0.219 0.000 2.455 445 A HA 0.770 5.092 4.320 0.002 0.000 0.300 445 A C -0.051 177.609 177.584 0.126 0.000 1.040 445 A CA -0.338 51.754 52.037 0.092 0.000 0.697 445 A CB 1.509 20.527 19.000 0.031 0.000 1.265 445 A HN 0.705 nan 8.150 nan 0.000 0.407 446 G N 0.396 109.225 108.800 0.047 0.000 2.667 446 G HA2 0.371 4.332 3.960 0.002 0.000 0.250 446 G HA3 0.371 4.332 3.960 0.002 0.000 0.250 446 G C 0.483 175.412 174.900 0.048 0.000 1.212 446 G CA 0.432 45.587 45.100 0.092 0.000 0.874 446 G HN 0.853 nan 8.290 nan 0.000 0.561 447 D N -0.485 119.970 120.400 0.092 0.000 2.178 447 D HA -0.072 4.569 4.640 0.002 0.000 0.202 447 D C 2.174 178.591 176.300 0.195 0.000 0.974 447 D CA 1.346 55.404 54.000 0.096 0.000 0.841 447 D CB -0.886 40.069 40.800 0.258 0.000 0.953 447 D HN 0.461 nan 8.370 nan 0.000 0.478 448 G N 0.477 109.441 108.800 0.273 0.000 2.404 448 G HA2 -0.112 3.849 3.960 0.002 0.000 0.215 448 G HA3 -0.112 3.849 3.960 0.002 0.000 0.215 448 G C 1.713 176.744 174.900 0.218 0.000 1.174 448 G CA 0.915 46.222 45.100 0.345 0.000 0.780 448 G HN 0.485 nan 8.290 nan 0.000 0.537 449 G N 1.033 109.918 108.800 0.142 0.000 2.394 449 G HA2 0.100 4.061 3.960 0.002 0.000 0.214 449 G HA3 0.100 4.061 3.960 0.002 0.000 0.214 449 G C 2.096 177.015 174.900 0.032 0.000 1.176 449 G CA 1.490 46.624 45.100 0.058 0.000 0.786 449 G HN 0.625 nan 8.290 nan 0.000 0.533 450 A N 1.038 123.852 122.820 -0.009 0.000 1.917 450 A HA -0.090 4.231 4.320 0.002 0.000 0.219 450 A C 2.686 180.366 177.584 0.160 0.000 1.182 450 A CA 2.453 54.462 52.037 -0.047 0.000 0.633 450 A CB -0.798 17.949 19.000 -0.423 0.000 0.819 450 A HN 0.321 nan 8.150 nan 0.000 0.448 451 S N -0.435 115.433 115.700 0.279 0.000 2.387 451 S HA -0.212 4.259 4.470 0.002 0.000 0.230 451 S C 1.954 176.611 174.600 0.094 0.000 1.035 451 S CA 1.895 60.253 58.200 0.262 0.000 1.014 451 S CB -0.431 62.850 63.200 0.135 0.000 0.836 451 S HN 0.609 nan 8.310 nan 0.000 0.466 452 M N 0.832 120.460 119.600 0.046 0.000 2.229 452 M HA -0.064 4.417 4.480 0.002 0.000 0.264 452 M C 1.630 177.879 176.300 -0.085 0.000 1.063 452 M CA 1.378 56.660 55.300 -0.030 0.000 1.114 452 M CB -0.534 32.039 32.600 -0.045 0.000 1.387 452 M HN 0.414 nan 8.290 nan 0.000 0.420 453 T N -3.075 111.452 114.554 -0.046 0.000 3.182 453 T HA 0.272 4.623 4.350 0.002 0.000 0.277 453 T C 1.216 175.918 174.700 0.003 0.000 1.013 453 T CA -0.371 61.688 62.100 -0.068 0.000 0.900 453 T CB -0.420 68.400 68.868 -0.081 0.000 1.098 453 T HN 0.422 nan 8.240 nan 0.000 0.543 454 M N 1.274 120.912 119.600 0.063 0.000 2.192 454 M HA -0.225 4.256 4.480 0.002 0.000 0.259 454 M C 2.271 178.605 176.300 0.056 0.000 1.071 454 M CA 1.953 57.327 55.300 0.123 0.000 1.082 454 M CB -0.842 31.874 32.600 0.192 0.000 1.373 454 M HN 0.237 nan 8.290 nan 0.000 0.408 455 Q N 0.863 120.676 119.800 0.022 0.000 2.226 455 Q HA -0.187 4.154 4.340 0.002 0.000 0.204 455 Q C 0.788 176.799 176.000 0.019 0.000 0.975 455 Q CA 1.964 57.775 55.803 0.014 0.000 0.866 455 Q CB -1.170 27.583 28.738 0.025 0.000 0.915 455 Q HN 0.673 nan 8.270 nan 0.000 0.440 456 D N 0.679 121.091 120.400 0.019 0.000 2.363 456 D HA 0.085 4.726 4.640 0.002 0.000 0.226 456 D C 1.787 178.102 176.300 0.024 0.000 1.020 456 D CA 0.042 54.054 54.000 0.021 0.000 0.892 456 D CB 0.203 41.006 40.800 0.006 0.000 0.900 456 D HN 0.289 nan 8.370 nan 0.000 0.531 457 L N 0.927 122.167 121.223 0.028 0.000 2.079 457 L HA -0.204 4.137 4.340 0.002 0.000 0.210 457 L C 2.687 179.561 176.870 0.007 0.000 1.081 457 L CA 1.034 55.889 54.840 0.024 0.000 0.752 457 L CB -0.454 41.629 42.059 0.039 0.000 0.896 457 L HN 0.001 nan 8.230 nan 0.000 0.433 458 A N -0.324 122.495 122.820 -0.001 0.000 1.940 458 A HA -0.220 4.101 4.320 0.002 0.000 0.219 458 A C 2.370 179.955 177.584 0.001 0.000 1.176 458 A CA 2.409 54.438 52.037 -0.014 0.000 0.631 458 A CB -0.881 18.110 19.000 -0.014 0.000 0.814 458 A HN 0.421 nan 8.150 nan 0.000 0.446 459 T N 0.075 114.657 114.554 0.046 0.000 2.821 459 T HA -0.150 4.201 4.350 0.002 0.000 0.267 459 T C 2.003 176.785 174.700 0.136 0.000 1.046 459 T CA 1.641 63.819 62.100 0.130 0.000 1.139 459 T CB -0.242 68.701 68.868 0.126 0.000 0.871 459 T HN 0.680 nan 8.240 nan 0.000 0.454 460 Q N 0.388 120.223 119.800 0.059 0.000 2.084 460 Q HA -0.054 4.287 4.340 0.002 0.000 0.202 460 Q C 2.550 178.535 176.000 -0.024 0.000 0.978 460 Q CA 1.080 56.904 55.803 0.035 0.000 0.844 460 Q CB -0.421 28.327 28.738 0.017 0.000 0.898 460 Q HN 0.344 nan 8.270 nan 0.000 0.426 461 V N 0.949 120.829 119.914 -0.058 0.000 2.270 461 V HA -0.305 3.816 4.120 0.002 0.000 0.245 461 V C 2.328 178.226 176.094 -0.326 0.000 1.043 461 V CA 2.140 64.353 62.300 -0.145 0.000 1.014 461 V CB -0.658 31.116 31.823 -0.082 0.000 0.645 461 V HN 0.384 nan 8.190 nan 0.000 0.447 462 Q N -0.762 118.884 119.800 -0.257 0.000 2.112 462 Q HA -0.230 4.112 4.340 0.002 0.000 0.206 462 Q C 1.664 177.292 176.000 -0.619 0.000 0.987 462 Q CA 2.210 57.749 55.803 -0.439 0.000 0.858 462 Q CB -0.111 28.371 28.738 -0.427 0.000 0.905 462 Q HN 0.778 nan 8.270 nan 0.000 0.420 463 Y N -1.117 119.068 120.300 -0.191 0.000 2.524 463 Y HA 0.171 4.722 4.550 0.002 0.000 0.266 463 Y C -0.568 175.318 175.900 -0.023 0.000 1.180 463 Y CA 0.123 58.172 58.100 -0.085 0.000 1.244 463 Y CB 0.225 38.643 38.460 -0.069 0.000 1.125 463 Y HN 0.232 nan 8.280 nan 0.000 0.524 464 H N -0.798 118.300 119.070 0.047 0.000 2.756 464 H HA -0.158 4.399 4.556 0.002 0.000 0.315 464 H C -0.868 174.480 175.328 0.034 0.000 1.210 464 H CA 0.292 56.358 56.048 0.030 0.000 1.150 464 H CB -1.964 27.806 29.762 0.015 0.000 1.463 464 H HN 0.265 nan 8.280 nan 0.000 0.427 465 L N 1.165 122.431 121.223 0.073 0.000 2.272 465 L HA 0.288 4.629 4.340 0.002 0.000 0.284 465 L C -1.805 175.078 176.870 0.022 0.000 1.045 465 L CA -1.897 52.971 54.840 0.047 0.000 0.842 465 L CB 1.006 43.088 42.059 0.038 0.000 1.224 465 L HN -0.050 nan 8.230 nan 0.000 0.430 466 P HA 0.008 nan 4.420 nan 0.000 0.237 466 P C -0.090 177.170 177.300 -0.067 0.000 1.701 466 P CA 0.121 63.210 63.100 -0.018 0.000 0.955 466 P CB -0.161 31.522 31.700 -0.029 0.000 1.937 467 V N 2.029 121.910 119.914 -0.054 0.000 2.614 467 V HA 0.083 4.205 4.120 0.002 0.000 0.291 467 V C 0.923 176.952 176.094 -0.108 0.000 1.049 467 V CA -0.137 62.114 62.300 -0.082 0.000 1.038 467 V CB 0.742 32.550 31.823 -0.025 0.000 0.980 467 V HN 0.214 nan 8.190 nan 0.000 0.481 468 I N 5.617 126.064 120.570 -0.205 0.000 2.291 468 I HA 0.254 4.425 4.170 0.002 0.000 0.292 468 I C 0.338 176.463 176.117 0.013 0.000 1.064 468 I CA -0.031 61.177 61.300 -0.154 0.000 1.269 468 I CB 0.181 37.976 38.000 -0.342 0.000 1.418 468 I HN 0.606 nan 8.210 nan 0.000 0.485 469 N N 6.612 125.334 118.700 0.036 0.000 2.472 469 N HA 0.353 5.094 4.740 0.002 0.000 0.277 469 N C -0.847 174.711 175.510 0.079 0.000 1.081 469 N CA -0.272 52.823 53.050 0.075 0.000 0.973 469 N CB 2.550 41.062 38.487 0.041 0.000 1.105 469 N HN 0.197 nan 8.380 nan 0.000 0.470 470 V N 2.601 122.596 119.914 0.135 0.000 2.482 470 V HA 0.260 4.381 4.120 0.002 0.000 0.295 470 V C 0.047 176.180 176.094 0.065 0.000 1.026 470 V CA -0.837 61.507 62.300 0.073 0.000 0.856 470 V CB 1.845 33.776 31.823 0.179 0.000 1.001 470 V HN 0.298 nan 8.190 nan 0.000 0.424 471 V N 4.965 124.827 119.914 -0.086 0.000 2.472 471 V HA 0.497 4.618 4.120 0.002 0.000 0.290 471 V C -0.585 175.447 176.094 -0.104 0.000 1.037 471 V CA -0.415 61.825 62.300 -0.100 0.000 0.908 471 V CB 1.567 33.143 31.823 -0.411 0.000 0.985 471 V HN 0.673 nan 8.190 nan 0.000 0.454 472 F N 2.054 121.960 119.950 -0.073 0.000 2.308 472 F HA 0.381 4.909 4.527 0.002 0.000 0.370 472 F C 0.852 176.638 175.800 -0.023 0.000 1.100 472 F CA -0.329 57.652 58.000 -0.033 0.000 1.108 472 F CB 1.249 40.233 39.000 -0.027 0.000 1.293 472 F HN 0.350 nan 8.300 nan 0.000 0.478 473 T N 3.158 117.764 114.554 0.086 0.000 2.811 473 T HA 0.130 4.481 4.350 0.002 0.000 0.309 473 T C 0.828 175.561 174.700 0.055 0.000 1.005 473 T CA -0.524 61.633 62.100 0.095 0.000 0.955 473 T CB 0.061 68.995 68.868 0.110 0.000 0.970 473 T HN 0.514 nan 8.240 nan 0.000 0.496 474 N N 0.330 119.050 118.700 0.033 0.000 2.205 474 N HA 0.064 4.805 4.740 0.002 0.000 0.201 474 N C 0.518 175.947 175.510 -0.135 0.000 1.128 474 N CA -0.487 52.535 53.050 -0.047 0.000 0.867 474 N CB -0.580 37.871 38.487 -0.061 0.000 0.996 474 N HN 0.560 nan 8.380 nan 0.000 0.503 475 C N 0.351 119.587 119.300 -0.108 0.000 4.356 475 C HA -0.170 4.291 4.460 0.002 0.000 0.296 475 C C -0.235 174.114 174.990 -1.069 0.000 1.424 475 C CA 0.499 59.337 59.018 -0.300 0.000 2.000 475 C CB -2.951 24.698 27.740 -0.151 0.000 1.262 475 C HN 0.613 nan 8.230 nan 0.000 0.789 476 Q N -2.543 116.657 119.800 -1.001 0.000 2.456 476 Q HA 0.475 4.816 4.340 0.002 0.000 0.284 476 Q C -0.922 174.720 176.000 -0.597 0.000 1.061 476 Q CA -0.765 54.425 55.803 -1.023 0.000 0.799 476 Q CB 1.252 29.716 28.738 -0.456 0.000 1.445 476 Q HN 0.321 nan 8.270 nan 0.000 0.411 477 Y N 1.064 121.268 120.300 -0.161 0.000 2.570 477 Y HA 0.140 4.691 4.550 0.001 0.000 0.336 477 Y C 1.361 177.265 175.900 0.007 0.000 1.284 477 Y CA -0.113 58.035 58.100 0.081 0.000 1.761 477 Y CB -0.313 38.244 38.460 0.161 0.000 1.724 477 Y HN 0.935 nan 8.280 nan 0.000 0.455 478 G N 0.958 109.822 108.800 0.107 0.000 2.446 478 G HA2 -0.336 3.625 3.960 0.002 0.000 0.217 478 G HA3 -0.336 3.625 3.960 0.002 0.000 0.217 478 G C 1.628 176.581 174.900 0.087 0.000 1.168 478 G CA 0.491 45.610 45.100 0.032 0.000 0.771 478 G HN 0.555 nan 8.290 nan 0.000 0.551 479 F N 1.131 121.101 119.950 0.033 0.000 2.120 479 F HA -0.154 4.373 4.527 0.001 0.000 0.300 479 F C 2.466 178.286 175.800 0.033 0.000 1.095 479 F CA 1.293 59.310 58.000 0.029 0.000 1.249 479 F CB 0.107 39.119 39.000 0.020 0.000 0.995 479 F HN 0.035 nan 8.300 nan 0.000 0.480 480 I N -0.177 120.532 120.570 0.232 0.000 2.500 480 I HA -0.196 3.975 4.170 0.002 0.000 0.252 480 I C 2.240 178.403 176.117 0.077 0.000 1.142 480 I CA 1.039 62.428 61.300 0.148 0.000 1.451 480 I CB -1.523 36.566 38.000 0.149 0.000 1.093 480 I HN 0.153 nan 8.210 nan 0.000 0.430 481 K N 1.416 121.825 120.400 0.016 0.000 2.020 481 K HA -0.227 4.094 4.320 0.002 0.000 0.212 481 K C 1.628 178.213 176.600 -0.025 0.000 1.050 481 K CA 2.059 58.273 56.287 -0.121 0.000 0.929 481 K CB 0.046 32.343 32.500 -0.337 0.000 0.714 481 K HN 0.210 nan 8.250 nan 0.000 0.443 482 D N 0.526 120.890 120.400 -0.061 0.000 2.144 482 D HA -0.150 4.491 4.640 0.002 0.000 0.199 482 D C 1.736 178.023 176.300 -0.022 0.000 0.984 482 D CA 1.168 55.142 54.000 -0.042 0.000 0.834 482 D CB -0.137 40.584 40.800 -0.131 0.000 0.955 482 D HN 0.426 nan 8.370 nan 0.000 0.465 483 E N 0.663 120.829 120.200 -0.056 0.000 2.051 483 E HA -0.167 4.184 4.350 0.002 0.000 0.192 483 E C 2.211 178.852 176.600 0.068 0.000 0.991 483 E CA 0.764 57.159 56.400 -0.009 0.000 0.799 483 E CB -0.065 29.637 29.700 0.002 0.000 0.748 483 E HN 0.383 nan 8.360 nan 0.000 0.449 484 Q N 0.635 120.516 119.800 0.134 0.000 2.096 484 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 484 Q C 2.190 178.298 176.000 0.181 0.000 0.982 484 Q CA 1.118 57.031 55.803 0.183 0.000 0.850 484 Q CB -0.182 28.741 28.738 0.308 0.000 0.901 484 Q HN 0.330 nan 8.270 nan 0.000 0.422 485 E N 0.699 121.088 120.200 0.315 0.000 2.114 485 E HA -0.242 4.109 4.350 0.002 0.000 0.199 485 E C 1.049 177.702 176.600 0.088 0.000 1.008 485 E CA 1.508 58.045 56.400 0.227 0.000 0.810 485 E CB 0.136 30.004 29.700 0.280 0.000 0.739 485 E HN 0.333 nan 8.360 nan 0.000 0.456 486 D N -1.474 118.968 120.400 0.071 0.000 2.289 486 D HA -0.060 4.581 4.640 0.002 0.000 0.207 486 D C 1.733 178.047 176.300 0.023 0.000 0.966 486 D CA 1.550 55.574 54.000 0.039 0.000 0.868 486 D CB 0.304 41.119 40.800 0.025 0.000 0.943 486 D HN 0.349 nan 8.370 nan 0.000 0.514 487 T N -3.593 110.975 114.554 0.024 0.000 2.980 487 T HA 0.135 4.486 4.350 0.002 0.000 0.252 487 T C 0.655 175.356 174.700 0.003 0.000 0.962 487 T CA -0.424 61.684 62.100 0.013 0.000 0.932 487 T CB 0.304 69.183 68.868 0.018 0.000 1.188 487 T HN -0.223 nan 8.240 nan 0.000 0.500 488 N N 1.907 120.606 118.700 -0.002 0.000 2.509 488 N HA 0.418 5.159 4.740 0.002 0.000 0.287 488 N C 0.823 176.300 175.510 -0.054 0.000 1.121 488 N CA -0.521 52.517 53.050 -0.020 0.000 0.977 488 N CB 1.295 39.776 38.487 -0.010 0.000 1.167 488 N HN 0.087 nan 8.380 nan 0.000 0.476 489 Q N 0.182 119.953 119.800 -0.048 0.000 2.339 489 Q HA 0.193 4.534 4.340 0.002 0.000 0.205 489 Q C -0.217 175.736 176.000 -0.079 0.000 0.925 489 Q CA 0.814 56.583 55.803 -0.057 0.000 0.898 489 Q CB 0.106 28.823 28.738 -0.036 0.000 1.013 489 Q HN 0.542 nan 8.270 nan 0.000 0.504 490 N N 1.213 119.868 118.700 -0.076 0.000 2.491 490 N HA 0.115 4.856 4.740 0.002 0.000 0.279 490 N C -0.299 175.126 175.510 -0.142 0.000 1.236 490 N CA -0.422 52.578 53.050 -0.083 0.000 0.982 490 N CB 0.465 38.927 38.487 -0.043 0.000 1.194 490 N HN -0.073 nan 8.380 nan 0.000 0.582 491 D N 0.122 120.447 120.400 -0.124 0.000 2.378 491 D HA 0.085 4.727 4.640 0.002 0.000 0.238 491 D C 0.162 176.400 176.300 -0.104 0.000 1.180 491 D CA 0.287 54.184 54.000 -0.172 0.000 0.895 491 D CB 0.216 40.981 40.800 -0.058 0.000 1.192 491 D HN 0.168 nan 8.370 nan 0.000 0.438 492 F N 0.783 120.740 119.950 0.011 0.000 2.629 492 F HA 0.101 4.629 4.527 0.001 0.000 0.369 492 F C 0.975 176.791 175.800 0.027 0.000 1.125 492 F CA 0.369 58.379 58.000 0.017 0.000 1.330 492 F CB -0.016 38.989 39.000 0.009 0.000 1.071 492 F HN 0.087 nan 8.300 nan 0.000 0.595 493 I N 1.107 121.829 120.570 0.255 0.000 2.644 493 I HA 0.467 4.638 4.170 0.002 0.000 0.291 493 I C 0.333 176.554 176.117 0.172 0.000 1.180 493 I CA -0.037 61.364 61.300 0.168 0.000 1.040 493 I CB 1.745 39.814 38.000 0.116 0.000 1.255 493 I HN 0.671 nan 8.210 nan 0.000 0.422 494 G N 4.267 113.171 108.800 0.173 0.000 2.179 494 G HA2 -0.261 3.700 3.960 0.002 0.000 0.260 494 G HA3 -0.261 3.700 3.960 0.002 0.000 0.260 494 G C 0.471 175.569 174.900 0.329 0.000 0.977 494 G CA 0.671 45.910 45.100 0.232 0.000 0.641 494 G HN 1.249 nan 8.290 nan 0.000 0.533 495 V N -3.129 116.900 119.914 0.193 0.000 3.661 495 V HA 0.544 4.665 4.120 0.002 0.000 0.271 495 V C 0.469 176.440 176.094 -0.205 0.000 1.315 495 V CA 0.845 63.215 62.300 0.117 0.000 1.072 495 V CB 0.400 32.258 31.823 0.059 0.000 0.830 495 V HN 0.348 nan 8.190 nan 0.000 0.443 496 E N 1.348 121.432 120.200 -0.193 0.000 2.210 496 E HA 0.673 5.024 4.350 0.002 0.000 0.266 496 E C -1.393 175.086 176.600 -0.202 0.000 0.883 496 E CA -0.611 55.570 56.400 -0.365 0.000 0.761 496 E CB 2.383 31.950 29.700 -0.222 0.000 1.156 496 E HN 0.488 nan 8.360 nan 0.000 0.412 497 F N -0.674 119.208 119.950 -0.113 0.000 2.685 497 F HA 0.483 5.011 4.527 0.002 0.000 0.315 497 F C -0.389 175.367 175.800 -0.072 0.000 1.126 497 F CA -1.691 56.251 58.000 -0.095 0.000 0.950 497 F CB 0.226 39.138 39.000 -0.146 0.000 1.360 497 F HN 0.118 nan 8.300 nan 0.000 0.469 498 N N 0.818 119.685 118.700 0.278 0.000 2.416 498 N HA 0.100 4.841 4.740 0.002 0.000 0.246 498 N C -0.995 174.637 175.510 0.204 0.000 1.260 498 N CA 0.251 53.397 53.050 0.159 0.000 0.897 498 N CB 0.174 38.710 38.487 0.081 0.000 1.110 498 N HN 0.853 nan 8.380 nan 0.000 0.439 499 D N 0.462 120.931 120.400 0.115 0.000 2.372 499 D HA 0.255 4.896 4.640 0.002 0.000 0.243 499 D C -0.657 175.677 176.300 0.057 0.000 1.121 499 D CA 0.055 54.119 54.000 0.108 0.000 0.898 499 D CB 0.502 41.337 40.800 0.059 0.000 1.202 499 D HN 0.290 nan 8.370 nan 0.000 0.428 500 I N 2.346 122.950 120.570 0.056 0.000 2.465 500 I HA 0.161 4.332 4.170 0.002 0.000 0.291 500 I C -0.686 175.395 176.117 -0.060 0.000 1.014 500 I CA -0.894 60.352 61.300 -0.090 0.000 1.093 500 I CB 1.912 39.758 38.000 -0.258 0.000 1.267 500 I HN 0.402 nan 8.210 nan 0.000 0.431 501 D N 5.841 126.179 120.400 -0.103 0.000 2.365 501 D HA 0.148 4.789 4.640 0.002 0.000 0.237 501 D C 0.527 176.778 176.300 -0.082 0.000 1.190 501 D CA 0.011 53.995 54.000 -0.027 0.000 0.867 501 D CB 0.646 41.427 40.800 -0.031 0.000 1.050 501 D HN 0.307 nan 8.370 nan 0.000 0.491 502 F N 1.551 121.496 119.950 -0.008 0.000 2.407 502 F HA -0.143 4.385 4.527 0.002 0.000 0.299 502 F C 2.673 178.456 175.800 -0.029 0.000 1.097 502 F CA 0.723 58.715 58.000 -0.014 0.000 1.422 502 F CB 0.103 39.104 39.000 0.002 0.000 1.067 502 F HN 0.392 nan 8.300 nan 0.000 0.539 503 S N -0.190 115.572 115.700 0.104 0.000 2.402 503 S HA -0.176 4.295 4.470 0.002 0.000 0.229 503 S C 1.886 176.466 174.600 -0.034 0.000 1.021 503 S CA 0.879 59.091 58.200 0.020 0.000 0.974 503 S CB -0.378 62.819 63.200 -0.006 0.000 0.800 503 S HN 0.360 nan 8.310 nan 0.000 0.484 504 K N 0.539 120.909 120.400 -0.049 0.000 2.103 504 K HA 0.124 4.445 4.320 0.002 0.000 0.204 504 K C 1.982 178.520 176.600 -0.103 0.000 1.052 504 K CA 1.025 57.266 56.287 -0.077 0.000 0.945 504 K CB -0.273 32.179 32.500 -0.079 0.000 0.722 504 K HN 0.287 nan 8.250 nan 0.000 0.443 505 I N 1.533 122.021 120.570 -0.137 0.000 2.163 505 I HA -0.275 3.896 4.170 0.002 0.000 0.243 505 I C 2.487 178.550 176.117 -0.090 0.000 1.085 505 I CA 1.503 62.710 61.300 -0.155 0.000 1.347 505 I CB -1.471 36.365 38.000 -0.272 0.000 1.044 505 I HN 0.114 nan 8.210 nan 0.000 0.408 506 A N 0.521 123.321 122.820 -0.034 0.000 1.883 506 A HA -0.288 4.033 4.320 0.002 0.000 0.217 506 A C 2.161 179.693 177.584 -0.087 0.000 1.186 506 A CA 2.223 54.239 52.037 -0.035 0.000 0.624 506 A CB -0.884 18.112 19.000 -0.006 0.000 0.822 506 A HN 0.432 nan 8.150 nan 0.000 0.444 507 D N -0.401 119.946 120.400 -0.088 0.000 2.133 507 D HA -0.108 4.533 4.640 0.002 0.000 0.195 507 D C 2.018 178.227 176.300 -0.153 0.000 0.997 507 D CA 1.791 55.740 54.000 -0.084 0.000 0.840 507 D CB -0.699 40.059 40.800 -0.070 0.000 0.947 507 D HN 0.316 nan 8.370 nan 0.000 0.452 508 G N 0.194 108.888 108.800 -0.178 0.000 2.505 508 G HA2 -0.250 3.711 3.960 0.002 0.000 0.220 508 G HA3 -0.250 3.711 3.960 0.002 0.000 0.220 508 G C 1.594 176.201 174.900 -0.488 0.000 1.145 508 G CA 1.818 46.764 45.100 -0.256 0.000 0.761 508 G HN 0.471 nan 8.290 nan 0.000 0.571 509 V N -3.686 116.004 119.914 -0.374 0.000 3.596 509 V HA 0.282 4.403 4.120 0.002 0.000 0.289 509 V C 0.759 176.652 176.094 -0.336 0.000 1.336 509 V CA 0.348 62.429 62.300 -0.365 0.000 1.137 509 V CB -1.021 30.714 31.823 -0.146 0.000 0.966 509 V HN 0.560 nan 8.190 nan 0.000 0.428 510 H N -0.905 118.140 119.070 -0.042 0.000 2.944 510 H HA -0.129 4.428 4.556 0.002 0.000 0.313 510 H C -0.204 175.095 175.328 -0.048 0.000 1.293 510 H CA 1.185 57.206 56.048 -0.046 0.000 1.173 510 H CB -1.650 28.086 29.762 -0.044 0.000 1.420 510 H HN 0.737 nan 8.280 nan 0.000 0.432 511 M N 0.665 120.267 119.600 0.004 0.000 2.321 511 M HA 0.319 4.800 4.480 0.002 0.000 0.315 511 M C -0.062 176.210 176.300 -0.046 0.000 1.052 511 M CA -0.585 54.709 55.300 -0.012 0.000 0.936 511 M CB 1.785 34.374 32.600 -0.018 0.000 1.639 511 M HN 0.204 nan 8.290 nan 0.000 0.433 512 Q N 2.245 122.011 119.800 -0.057 0.000 2.395 512 Q HA 0.558 4.899 4.340 0.002 0.000 0.271 512 Q C -0.884 174.984 176.000 -0.220 0.000 1.026 512 Q CA 0.313 56.025 55.803 -0.151 0.000 0.900 512 Q CB 1.092 29.755 28.738 -0.124 0.000 1.266 512 Q HN 0.768 nan 8.270 nan 0.000 0.430 513 A N 1.928 124.474 122.820 -0.457 0.000 2.601 513 A HA 0.765 5.087 4.320 0.002 0.000 0.291 513 A C -1.887 175.250 177.584 -0.745 0.000 1.075 513 A CA -0.672 51.123 52.037 -0.404 0.000 0.671 513 A CB 1.098 20.015 19.000 -0.140 0.000 1.277 513 A HN 0.551 nan 8.150 nan 0.000 0.417 514 F N -0.392 119.530 119.950 -0.047 0.000 2.601 514 F HA 0.784 5.312 4.527 0.002 0.000 0.309 514 F C 0.095 175.873 175.800 -0.037 0.000 1.089 514 F CA -0.437 57.535 58.000 -0.047 0.000 0.940 514 F CB 2.447 41.400 39.000 -0.079 0.000 1.273 514 F HN 0.666 nan 8.300 nan 0.000 0.450 515 R N 1.702 122.293 120.500 0.151 0.000 2.494 515 R HA 0.871 5.212 4.340 0.002 0.000 0.305 515 R C -1.832 174.519 176.300 0.085 0.000 0.959 515 R CA -0.714 55.442 56.100 0.093 0.000 0.864 515 R CB 1.703 32.040 30.300 0.061 0.000 1.159 515 R HN 0.616 nan 8.270 nan 0.000 0.446 516 V N 1.621 121.567 119.914 0.054 0.000 2.789 516 V HA 0.545 4.666 4.120 0.002 0.000 0.311 516 V C -0.490 175.614 176.094 0.018 0.000 1.073 516 V CA -0.562 61.762 62.300 0.039 0.000 0.921 516 V CB 1.971 33.819 31.823 0.042 0.000 1.009 516 V HN 1.070 nan 8.190 nan 0.000 0.426 517 N N 1.122 119.829 118.700 0.013 0.000 2.184 517 N HA 0.351 5.092 4.740 0.002 0.000 0.234 517 N C -0.323 175.183 175.510 -0.005 0.000 1.282 517 N CA -0.847 52.204 53.050 0.000 0.000 0.877 517 N CB 0.890 39.379 38.487 0.003 0.000 1.184 517 N HN 0.674 nan 8.380 nan 0.000 0.510 518 K N 0.398 120.797 120.400 -0.002 0.000 2.422 518 K HA 0.383 4.704 4.320 0.002 0.000 0.251 518 K C 0.323 176.917 176.600 -0.009 0.000 0.933 518 K CA -0.757 55.526 56.287 -0.006 0.000 0.798 518 K CB 2.463 34.962 32.500 -0.002 0.000 1.238 518 K HN -0.092 nan 8.250 nan 0.000 0.428 519 I N 2.037 122.597 120.570 -0.017 0.000 2.248 519 I HA -0.345 3.826 4.170 0.002 0.000 0.248 519 I C 2.304 178.408 176.117 -0.021 0.000 1.107 519 I CA 1.527 62.812 61.300 -0.026 0.000 1.373 519 I CB -0.085 37.898 38.000 -0.028 0.000 1.055 519 I HN 0.714 nan 8.210 nan 0.000 0.418 520 E N 1.138 121.330 120.200 -0.013 0.000 2.338 520 E HA -0.249 4.102 4.350 0.002 0.000 0.197 520 E C 1.687 178.285 176.600 -0.004 0.000 1.007 520 E CA 0.951 57.345 56.400 -0.010 0.000 0.849 520 E CB -0.443 29.252 29.700 -0.007 0.000 0.774 520 E HN 0.640 nan 8.360 nan 0.000 0.506 521 Q N 0.562 120.364 119.800 0.003 0.000 2.369 521 Q HA 0.082 4.423 4.340 0.002 0.000 0.206 521 Q C 2.383 178.399 176.000 0.025 0.000 0.963 521 Q CA 0.512 56.322 55.803 0.011 0.000 0.894 521 Q CB -0.108 28.640 28.738 0.018 0.000 0.965 521 Q HN 0.278 nan 8.270 nan 0.000 0.475 522 L N 0.693 121.936 121.223 0.034 0.000 1.989 522 L HA -0.177 4.164 4.340 0.002 0.000 0.211 522 L C -0.605 176.331 176.870 0.109 0.000 1.071 522 L CA 1.481 56.375 54.840 0.089 0.000 0.749 522 L CB -1.606 40.428 42.059 -0.042 0.000 0.890 522 L HN 0.156 nan 8.230 nan 0.000 0.431 523 P HA -0.155 nan 4.420 nan 0.000 0.215 523 P C 0.835 178.157 177.300 0.037 0.000 1.157 523 P CA 1.465 64.579 63.100 0.024 0.000 0.874 523 P CB -0.015 31.683 31.700 -0.004 0.000 0.790 524 D N -1.180 119.222 120.400 0.002 0.000 2.123 524 D HA -0.082 4.559 4.640 0.002 0.000 0.200 524 D C 2.052 178.278 176.300 -0.123 0.000 0.976 524 D CA 0.825 54.803 54.000 -0.038 0.000 0.831 524 D CB -0.918 39.861 40.800 -0.035 0.000 0.974 524 D HN -0.035 nan 8.370 nan 0.000 0.469 525 V N 0.606 120.421 119.914 -0.165 0.000 2.295 525 V HA -0.230 3.892 4.120 0.002 0.000 0.246 525 V C 2.138 177.965 176.094 -0.446 0.000 1.049 525 V CA 1.340 63.361 62.300 -0.466 0.000 1.024 525 V CB -0.547 31.035 31.823 -0.401 0.000 0.648 525 V HN 0.062 nan 8.190 nan 0.000 0.447 526 F N 0.101 119.922 119.950 -0.215 0.000 2.186 526 F HA -0.078 4.450 4.527 0.002 0.000 0.299 526 F C 2.544 178.291 175.800 -0.089 0.000 1.090 526 F CA 1.268 59.198 58.000 -0.117 0.000 1.307 526 F CB -0.348 38.625 39.000 -0.045 0.000 1.019 526 F HN 0.130 nan 8.300 nan 0.000 0.489 527 E N 0.227 120.460 120.200 0.055 0.000 2.077 527 E HA -0.219 4.132 4.350 0.002 0.000 0.193 527 E C 2.145 178.724 176.600 -0.035 0.000 0.989 527 E CA 1.139 57.548 56.400 0.015 0.000 0.800 527 E CB -0.508 29.200 29.700 0.012 0.000 0.746 527 E HN 0.568 nan 8.360 nan 0.000 0.452 528 Q N 0.275 120.007 119.800 -0.114 0.000 2.050 528 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 528 Q C 2.272 178.239 176.000 -0.056 0.000 0.980 528 Q CA 1.372 57.121 55.803 -0.090 0.000 0.840 528 Q CB -0.253 28.390 28.738 -0.159 0.000 0.898 528 Q HN 0.229 nan 8.270 nan 0.000 0.424 529 A N 1.887 124.609 122.820 -0.164 0.000 1.903 529 A HA -0.306 4.015 4.320 0.002 0.000 0.219 529 A C 2.045 179.602 177.584 -0.046 0.000 1.191 529 A CA 2.023 54.008 52.037 -0.087 0.000 0.638 529 A CB -0.649 18.213 19.000 -0.230 0.000 0.823 529 A HN 0.288 nan 8.150 nan 0.000 0.451 530 K N -0.562 119.822 120.400 -0.026 0.000 2.044 530 K HA -0.171 4.151 4.320 0.002 0.000 0.210 530 K C 2.128 178.711 176.600 -0.027 0.000 1.049 530 K CA 1.553 57.834 56.287 -0.010 0.000 0.927 530 K CB -0.342 32.181 32.500 0.038 0.000 0.713 530 K HN 0.414 nan 8.250 nan 0.000 0.443 531 A N 1.035 123.852 122.820 -0.005 0.000 1.872 531 A HA -0.053 4.268 4.320 0.002 0.000 0.214 531 A C 2.076 179.677 177.584 0.027 0.000 1.187 531 A CA 1.205 53.247 52.037 0.008 0.000 0.614 531 A CB -0.493 18.527 19.000 0.033 0.000 0.826 531 A HN 0.332 nan 8.150 nan 0.000 0.442 532 I N 0.242 120.845 120.570 0.055 0.000 2.194 532 I HA -0.325 3.846 4.170 0.002 0.000 0.246 532 I C 2.649 178.789 176.117 0.038 0.000 1.093 532 I CA 1.319 62.671 61.300 0.087 0.000 1.355 532 I CB -0.252 37.814 38.000 0.109 0.000 1.046 532 I HN 0.331 nan 8.210 nan 0.000 0.413 533 A N -0.165 122.640 122.820 -0.026 0.000 2.239 533 A HA -0.107 4.214 4.320 0.002 0.000 0.209 533 A C 2.004 179.508 177.584 -0.134 0.000 1.171 533 A CA 0.632 52.623 52.037 -0.076 0.000 0.768 533 A CB -0.311 18.612 19.000 -0.128 0.000 0.790 533 A HN 0.383 nan 8.150 nan 0.000 0.478 534 Q N -0.618 119.062 119.800 -0.201 0.000 2.291 534 Q HA -0.140 4.201 4.340 0.002 0.000 0.205 534 Q C 0.690 176.331 176.000 -0.599 0.000 0.970 534 Q CA 1.769 57.316 55.803 -0.427 0.000 0.876 534 Q CB -0.223 28.157 28.738 -0.596 0.000 0.935 534 Q HN 0.972 nan 8.270 nan 0.000 0.455 535 H N -1.875 117.196 119.070 0.002 0.000 3.583 535 H HA 0.285 4.842 4.556 0.002 0.000 0.251 535 H C -0.121 175.228 175.328 0.035 0.000 1.060 535 H CA -0.113 55.943 56.048 0.013 0.000 1.159 535 H CB 1.212 30.981 29.762 0.012 0.000 1.496 535 H HN -0.099 nan 8.280 nan 0.000 0.540 536 E N 0.572 120.847 120.200 0.126 0.000 2.390 536 E HA 0.231 4.582 4.350 0.002 0.000 0.280 536 E C -2.882 173.746 176.600 0.045 0.000 0.992 536 E CA -2.054 54.408 56.400 0.103 0.000 0.790 536 E CB 2.545 32.315 29.700 0.117 0.000 1.248 536 E HN -0.075 nan 8.360 nan 0.000 0.447 537 P HA 0.197 nan 4.420 nan 0.000 0.272 537 P C -0.480 176.826 177.300 0.010 0.000 1.230 537 P CA -0.260 62.843 63.100 0.004 0.000 0.788 537 P CB 1.049 32.750 31.700 0.001 0.000 0.949 538 V N 2.701 122.618 119.914 0.005 0.000 3.147 538 V HA 0.646 4.768 4.120 0.002 0.000 0.306 538 V C -1.612 174.496 176.094 0.023 0.000 1.209 538 V CA -1.068 61.248 62.300 0.026 0.000 1.023 538 V CB 2.250 34.113 31.823 0.067 0.000 1.059 538 V HN 0.483 nan 8.190 nan 0.000 0.435 539 L N 5.150 126.396 121.223 0.039 0.000 2.431 539 L HA 0.740 5.081 4.340 0.002 0.000 0.266 539 L C -1.485 175.425 176.870 0.068 0.000 0.978 539 L CA -0.396 54.468 54.840 0.039 0.000 0.822 539 L CB 1.911 43.997 42.059 0.045 0.000 1.310 539 L HN 0.710 nan 8.230 nan 0.000 0.409 540 I N 3.460 124.034 120.570 0.007 0.000 2.436 540 I HA 0.330 4.501 4.170 0.002 0.000 0.289 540 I C -1.230 174.868 176.117 -0.032 0.000 1.010 540 I CA -0.423 60.864 61.300 -0.021 0.000 1.098 540 I CB 1.882 39.723 38.000 -0.265 0.000 1.266 540 I HN 0.514 nan 8.210 nan 0.000 0.434 541 D N 6.103 126.513 120.400 0.016 0.000 2.427 541 D HA 0.494 5.135 4.640 0.002 0.000 0.226 541 D C -0.507 175.782 176.300 -0.019 0.000 1.076 541 D CA -0.232 53.778 54.000 0.016 0.000 0.849 541 D CB 1.431 42.301 40.800 0.117 0.000 1.052 541 D HN 0.561 nan 8.370 nan 0.000 0.515 542 A N 4.018 126.773 122.820 -0.109 0.000 2.294 542 A HA 0.469 4.790 4.320 0.002 0.000 0.316 542 A C -0.198 177.339 177.584 -0.078 0.000 1.359 542 A CA -0.668 51.292 52.037 -0.128 0.000 0.956 542 A CB 0.516 19.336 19.000 -0.300 0.000 1.155 542 A HN 0.420 nan 8.150 nan 0.000 0.544 543 V N 5.267 125.164 119.914 -0.027 0.000 2.455 543 V HA 0.323 4.444 4.120 0.002 0.000 0.273 543 V C 0.390 176.468 176.094 -0.027 0.000 1.045 543 V CA 0.263 62.559 62.300 -0.008 0.000 0.976 543 V CB -0.113 31.715 31.823 0.007 0.000 0.993 543 V HN 0.761 nan 8.190 nan 0.000 0.475 544 I N 1.992 122.546 120.570 -0.026 0.000 3.108 544 I HA 0.806 4.977 4.170 0.002 0.000 0.312 544 I C 0.456 176.545 176.117 -0.046 0.000 1.095 544 I CA -0.713 60.561 61.300 -0.043 0.000 1.000 544 I CB 2.397 40.377 38.000 -0.034 0.000 1.229 544 I HN 0.561 nan 8.210 nan 0.000 0.454 545 T N -0.370 114.147 114.554 -0.062 0.000 2.788 545 T HA 0.317 4.668 4.350 0.002 0.000 0.287 545 T C 1.039 175.700 174.700 -0.066 0.000 1.007 545 T CA -0.113 61.953 62.100 -0.057 0.000 1.005 545 T CB 0.996 69.834 68.868 -0.049 0.000 1.012 545 T HN 0.937 nan 8.240 nan 0.000 0.530 546 G N 0.098 108.857 108.800 -0.069 0.000 3.155 546 G HA2 0.125 4.086 3.960 0.002 0.000 0.213 546 G HA3 0.125 4.086 3.960 0.002 0.000 0.213 546 G C 0.008 174.872 174.900 -0.061 0.000 1.196 546 G CA -0.426 44.623 45.100 -0.084 0.000 0.846 546 G HN 0.736 nan 8.290 nan 0.000 0.516 547 D N 0.362 120.738 120.400 -0.040 0.000 2.414 547 D HA 0.082 4.724 4.640 0.002 0.000 0.242 547 D C 0.483 176.809 176.300 0.043 0.000 1.129 547 D CA 0.229 54.231 54.000 0.003 0.000 0.885 547 D CB 1.249 42.074 40.800 0.042 0.000 1.198 547 D HN 0.147 nan 8.370 nan 0.000 0.437 548 R N 2.940 123.501 120.500 0.101 0.000 2.254 548 R HA 0.258 4.599 4.340 0.002 0.000 0.318 548 R C -2.356 174.142 176.300 0.330 0.000 1.031 548 R CA -1.493 54.711 56.100 0.173 0.000 0.905 548 R CB 0.820 31.229 30.300 0.182 0.000 1.050 548 R HN 0.187 nan 8.270 nan 0.000 0.456 549 P HA -0.057 nan 4.420 nan 0.000 0.269 549 P C -0.251 177.109 177.300 0.099 0.000 1.209 549 P CA -0.161 63.120 63.100 0.301 0.000 0.776 549 P CB 0.600 32.459 31.700 0.264 0.000 0.876 550 L N 4.846 126.064 121.223 -0.008 0.000 2.559 550 L HA 0.102 4.444 4.340 0.002 0.000 0.274 550 L C -1.982 174.742 176.870 -0.244 0.000 1.205 550 L CA -1.213 53.306 54.840 -0.535 0.000 0.907 550 L CB -0.115 41.846 42.059 -0.164 0.000 1.153 550 L HN 0.264 nan 8.230 nan 0.000 0.490 551 P HA 0.156 nan 4.420 nan 0.000 0.288 551 P C -0.114 177.167 177.300 -0.032 0.000 1.363 551 P CA -0.407 62.633 63.100 -0.099 0.000 0.837 551 P CB 1.564 33.220 31.700 -0.073 0.000 0.981 552 A N 4.255 127.057 122.820 -0.030 0.000 2.067 552 A HA -0.144 4.177 4.320 0.002 0.000 0.219 552 A C 1.788 179.311 177.584 -0.103 0.000 1.158 552 A CA 1.123 53.100 52.037 -0.100 0.000 0.661 552 A CB -0.643 18.260 19.000 -0.162 0.000 0.801 552 A HN 0.554 nan 8.150 nan 0.000 0.452 553 E N 0.662 120.827 120.200 -0.058 0.000 2.442 553 E HA -0.054 4.297 4.350 0.002 0.000 0.195 553 E C 0.027 176.600 176.600 -0.046 0.000 1.030 553 E CA 0.633 57.000 56.400 -0.054 0.000 0.869 553 E CB -0.110 29.574 29.700 -0.028 0.000 0.857 553 E HN 0.563 nan 8.360 nan 0.000 0.505 554 K N 1.534 121.921 120.400 -0.020 0.000 3.206 554 K HA 0.368 4.689 4.320 0.002 0.000 0.180 554 K C -0.423 176.180 176.600 0.005 0.000 1.088 554 K CA -0.303 55.984 56.287 0.000 0.000 0.872 554 K CB 0.811 33.343 32.500 0.053 0.000 0.976 554 K HN -0.032 nan 8.250 nan 0.000 0.564 555 L N 1.643 122.778 121.223 -0.146 0.000 2.426 555 L HA 0.220 4.561 4.340 0.002 0.000 0.271 555 L C 0.570 177.036 176.870 -0.673 0.000 1.169 555 L CA -0.218 54.342 54.840 -0.468 0.000 0.836 555 L CB 0.250 42.089 42.059 -0.366 0.000 1.112 555 L HN 0.146 nan 8.230 nan 0.000 0.465 556 R N 5.247 124.913 120.500 -1.389 0.000 2.564 556 R HA 0.365 4.706 4.340 0.002 0.000 0.282 556 R C -0.061 175.820 176.300 -0.698 0.000 1.573 556 R CA -0.065 55.579 56.100 -0.760 0.000 1.588 556 R CB 0.528 30.600 30.300 -0.380 0.000 1.154 556 R HN 0.716 nan 8.270 nan 0.000 0.606 557 L N -0.996 119.943 121.223 -0.474 0.000 3.017 557 L HA 0.249 4.590 4.340 0.002 0.000 0.265 557 L C 0.463 177.223 176.870 -0.182 0.000 1.128 557 L CA -0.110 54.557 54.840 -0.289 0.000 0.984 557 L CB 0.649 42.547 42.059 -0.268 0.000 1.464 557 L HN 0.215 nan 8.230 nan 0.000 0.556 558 D N 1.188 121.478 120.400 -0.183 0.000 2.416 558 D HA 0.042 4.683 4.640 0.002 0.000 0.240 558 D C 0.924 177.162 176.300 -0.103 0.000 1.250 558 D CA 0.181 54.100 54.000 -0.135 0.000 0.967 558 D CB 1.109 41.830 40.800 -0.133 0.000 1.059 558 D HN -0.004 nan 8.370 nan 0.000 0.512 559 S N 1.795 117.443 115.700 -0.087 0.000 2.520 559 S HA -0.183 4.288 4.470 0.002 0.000 0.249 559 S C 1.615 176.185 174.600 -0.050 0.000 0.983 559 S CA 0.916 59.078 58.200 -0.063 0.000 0.958 559 S CB 0.275 63.443 63.200 -0.054 0.000 0.750 559 S HN 0.631 nan 8.310 nan 0.000 0.527 560 A N 0.795 123.583 122.820 -0.054 0.000 1.909 560 A HA 0.311 4.632 4.320 0.002 0.000 0.209 560 A C 1.893 179.447 177.584 -0.050 0.000 1.247 560 A CA 0.370 52.382 52.037 -0.042 0.000 0.660 560 A CB -0.413 18.568 19.000 -0.032 0.000 0.910 560 A HN 0.454 nan 8.150 nan 0.000 0.465 561 M N -0.555 119.003 119.600 -0.069 0.000 2.557 561 M HA 0.093 4.574 4.480 0.002 0.000 0.259 561 M C 0.110 176.368 176.300 -0.070 0.000 1.086 561 M CA 0.672 55.928 55.300 -0.073 0.000 1.096 561 M CB 0.160 32.703 32.600 -0.094 0.000 1.424 561 M HN 0.298 nan 8.290 nan 0.000 0.488 562 S N -1.302 114.356 115.700 -0.069 0.000 2.537 562 S HA 0.366 4.837 4.470 0.002 0.000 0.270 562 S C -0.600 173.973 174.600 -0.045 0.000 1.142 562 S CA -0.881 57.282 58.200 -0.061 0.000 0.870 562 S CB 1.447 64.595 63.200 -0.088 0.000 1.112 562 S HN 0.402 nan 8.310 nan 0.000 0.466 563 S N 2.473 118.156 115.700 -0.029 0.000 2.549 563 S HA 0.242 4.713 4.470 0.002 0.000 0.278 563 S C 1.509 176.100 174.600 -0.016 0.000 1.344 563 S CA 0.241 58.431 58.200 -0.018 0.000 1.025 563 S CB 0.520 63.715 63.200 -0.008 0.000 0.851 563 S HN 1.163 nan 8.310 nan 0.000 0.530 564 A N 3.228 126.041 122.820 -0.011 0.000 2.019 564 A HA 0.201 4.522 4.320 0.002 0.000 0.219 564 A C 2.434 180.021 177.584 0.006 0.000 1.164 564 A CA 1.711 53.744 52.037 -0.006 0.000 0.644 564 A CB -1.566 17.430 19.000 -0.006 0.000 0.805 564 A HN 1.408 nan 8.150 nan 0.000 0.449 565 A N 0.539 123.363 122.820 0.008 0.000 1.855 565 A HA -0.164 4.157 4.320 0.002 0.000 0.215 565 A C 1.758 179.361 177.584 0.033 0.000 1.191 565 A CA 1.741 53.788 52.037 0.017 0.000 0.613 565 A CB -0.577 18.431 19.000 0.012 0.000 0.829 565 A HN 0.476 nan 8.150 nan 0.000 0.442 566 D N 0.308 120.727 120.400 0.032 0.000 2.104 566 D HA -0.160 4.481 4.640 0.002 0.000 0.194 566 D C 1.861 178.214 176.300 0.089 0.000 0.994 566 D CA 1.428 55.463 54.000 0.058 0.000 0.830 566 D CB -0.525 40.296 40.800 0.034 0.000 0.959 566 D HN 0.526 nan 8.370 nan 0.000 0.452 567 I N 1.097 121.691 120.570 0.040 0.000 2.118 567 I HA -0.243 3.928 4.170 0.002 0.000 0.241 567 I C 2.507 178.694 176.117 0.117 0.000 1.070 567 I CA 1.173 62.501 61.300 0.047 0.000 1.327 567 I CB -0.165 37.828 38.000 -0.011 0.000 1.034 567 I HN -0.106 nan 8.210 nan 0.000 0.405 568 E N 0.802 121.048 120.200 0.076 0.000 2.110 568 E HA -0.206 4.145 4.350 0.002 0.000 0.193 568 E C 2.291 178.942 176.600 0.085 0.000 0.988 568 E CA 1.481 57.924 56.400 0.072 0.000 0.804 568 E CB -0.206 29.517 29.700 0.039 0.000 0.745 568 E HN 0.502 nan 8.360 nan 0.000 0.458 569 A N 0.437 123.311 122.820 0.089 0.000 1.877 569 A HA -0.187 4.134 4.320 0.002 0.000 0.216 569 A C 2.167 179.803 177.584 0.087 0.000 1.186 569 A CA 1.366 53.444 52.037 0.068 0.000 0.620 569 A CB -0.947 18.093 19.000 0.068 0.000 0.822 569 A HN 0.332 nan 8.150 nan 0.000 0.443 570 F N 0.776 120.747 119.950 0.034 0.000 2.069 570 F HA -0.202 4.326 4.527 0.002 0.000 0.298 570 F C 2.272 178.148 175.800 0.127 0.000 1.113 570 F CA 2.353 60.426 58.000 0.121 0.000 1.214 570 F CB -0.144 38.941 39.000 0.141 0.000 0.978 570 F HN 0.107 nan 8.300 nan 0.000 0.474 571 K N -0.411 120.198 120.400 0.347 0.000 2.152 571 K HA -0.267 4.054 4.320 0.002 0.000 0.206 571 K C 2.052 178.688 176.600 0.059 0.000 1.048 571 K CA 1.700 58.113 56.287 0.210 0.000 0.933 571 K CB -0.314 32.294 32.500 0.179 0.000 0.721 571 K HN 0.366 nan 8.250 nan 0.000 0.447 572 Q N 1.314 121.121 119.800 0.011 0.000 2.020 572 Q HA -0.121 4.220 4.340 0.002 0.000 0.198 572 Q C 2.077 177.996 176.000 -0.134 0.000 0.974 572 Q CA 1.398 57.178 55.803 -0.038 0.000 0.829 572 Q CB -0.070 28.650 28.738 -0.029 0.000 0.894 572 Q HN 0.123 nan 8.270 nan 0.000 0.433 573 R N -1.134 119.199 120.500 -0.278 0.000 2.096 573 R HA -0.180 4.161 4.340 0.002 0.000 0.240 573 R C 1.060 176.992 176.300 -0.613 0.000 1.139 573 R CA 1.805 57.584 56.100 -0.535 0.000 0.952 573 R CB -0.202 29.594 30.300 -0.840 0.000 0.854 573 R HN 0.393 nan 8.270 nan 0.000 0.436 574 Y N 0.569 120.768 120.300 -0.169 0.000 2.468 574 Y HA 0.199 4.750 4.550 0.002 0.000 0.268 574 Y C -0.133 175.812 175.900 0.075 0.000 1.177 574 Y CA -0.042 58.004 58.100 -0.092 0.000 1.265 574 Y CB 0.081 38.364 38.460 -0.295 0.000 1.103 574 Y HN 0.162 nan 8.280 nan 0.000 0.522 575 E N -0.669 119.602 120.200 0.119 0.000 2.360 575 E HA -0.255 4.096 4.350 0.002 0.000 0.238 575 E C 0.602 177.379 176.600 0.295 0.000 1.186 575 E CA 0.403 56.896 56.400 0.154 0.000 0.719 575 E CB -1.320 28.444 29.700 0.106 0.000 1.236 575 E HN 0.501 nan 8.360 nan 0.000 0.386 576 A N 0.300 123.246 122.820 0.210 0.000 2.610 576 A HA 0.185 4.506 4.320 0.002 0.000 0.286 576 A C 1.510 179.158 177.584 0.106 0.000 1.306 576 A CA -0.154 51.947 52.037 0.106 0.000 0.942 576 A CB 0.292 19.298 19.000 0.010 0.000 1.112 576 A HN 0.146 nan 8.150 nan 0.000 0.527 577 Q N 0.549 120.418 119.800 0.115 0.000 2.112 577 Q HA -0.183 4.158 4.340 0.002 0.000 0.206 577 Q C 0.736 176.779 176.000 0.071 0.000 0.987 577 Q CA 2.180 58.033 55.803 0.084 0.000 0.858 577 Q CB -0.041 28.736 28.738 0.066 0.000 0.905 577 Q HN 0.573 nan 8.270 nan 0.000 0.420 578 D N -0.760 119.691 120.400 0.086 0.000 2.340 578 D HA 0.040 4.681 4.640 0.002 0.000 0.220 578 D C -0.160 176.190 176.300 0.082 0.000 1.039 578 D CA 0.180 54.227 54.000 0.080 0.000 0.866 578 D CB 0.197 41.051 40.800 0.091 0.000 0.913 578 D HN 0.230 nan 8.370 nan 0.000 0.523 579 L N 1.763 123.020 121.223 0.057 0.000 2.331 579 L HA 0.100 4.441 4.340 0.002 0.000 0.278 579 L C 0.270 177.159 176.870 0.032 0.000 1.106 579 L CA -0.175 54.688 54.840 0.038 0.000 0.824 579 L CB 0.896 42.910 42.059 -0.075 0.000 1.142 579 L HN -0.223 nan 8.230 nan 0.000 0.443 580 Q N 5.103 124.936 119.800 0.055 0.000 2.266 580 Q HA 0.492 4.833 4.340 0.002 0.000 0.261 580 Q C -2.296 173.689 176.000 -0.026 0.000 0.985 580 Q CA -2.008 53.770 55.803 -0.041 0.000 0.873 580 Q CB 1.709 30.328 28.738 -0.197 0.000 1.306 580 Q HN 0.353 nan 8.270 nan 0.000 0.447 581 P HA 0.017 nan 4.420 nan 0.000 0.274 581 P C 0.768 178.035 177.300 -0.055 0.000 1.246 581 P CA -0.472 62.570 63.100 -0.097 0.000 0.795 581 P CB 0.899 32.519 31.700 -0.134 0.000 1.006 582 L N 2.167 123.375 121.223 -0.026 0.000 2.079 582 L HA -0.215 4.126 4.340 0.002 0.000 0.210 582 L C 2.461 179.342 176.870 0.019 0.000 1.081 582 L CA 2.573 57.439 54.840 0.043 0.000 0.752 582 L CB -1.764 40.280 42.059 -0.025 0.000 0.896 582 L HN 0.490 nan 8.230 nan 0.000 0.433 583 S N -2.315 113.355 115.700 -0.050 0.000 2.380 583 S HA -0.295 4.176 4.470 0.002 0.000 0.229 583 S C 1.925 176.482 174.600 -0.071 0.000 1.043 583 S CA 1.958 60.124 58.200 -0.056 0.000 1.038 583 S CB -1.526 61.620 63.200 -0.090 0.000 0.872 583 S HN 0.556 nan 8.310 nan 0.000 0.456 584 T N 1.233 115.675 114.554 -0.187 0.000 2.665 584 T HA -0.102 4.249 4.350 0.002 0.000 0.268 584 T C 1.482 176.010 174.700 -0.286 0.000 1.035 584 T CA 1.948 63.859 62.100 -0.315 0.000 1.151 584 T CB -0.573 67.950 68.868 -0.576 0.000 0.862 584 T HN 0.610 nan 8.240 nan 0.000 0.438 585 Y N 0.775 121.098 120.300 0.038 0.000 2.337 585 Y HA 0.222 4.773 4.550 0.002 0.000 0.293 585 Y C 2.157 178.191 175.900 0.223 0.000 1.123 585 Y CA -0.041 58.138 58.100 0.131 0.000 1.201 585 Y CB -0.661 37.856 38.460 0.095 0.000 1.011 585 Y HN 0.138 nan 8.280 nan 0.000 0.545 586 L N 0.203 121.576 121.223 0.250 0.000 2.017 586 L HA -0.263 4.078 4.340 0.002 0.000 0.208 586 L C 2.540 179.535 176.870 0.210 0.000 1.073 586 L CA 1.871 56.856 54.840 0.241 0.000 0.745 586 L CB -0.530 41.637 42.059 0.179 0.000 0.894 586 L HN 0.142 nan 8.230 nan 0.000 0.432 587 K N 0.191 120.659 120.400 0.113 0.000 2.032 587 K HA -0.244 4.077 4.320 0.002 0.000 0.209 587 K C 2.103 178.705 176.600 0.003 0.000 1.048 587 K CA 1.604 57.927 56.287 0.060 0.000 0.927 587 K CB -0.109 32.399 32.500 0.015 0.000 0.712 587 K HN 0.303 nan 8.250 nan 0.000 0.441 588 Q N -0.990 118.771 119.800 -0.065 0.000 2.248 588 Q HA -0.172 4.169 4.340 0.002 0.000 0.208 588 Q C 0.844 176.575 176.000 -0.447 0.000 0.984 588 Q CA 1.441 57.062 55.803 -0.303 0.000 0.875 588 Q CB -0.007 28.435 28.738 -0.493 0.000 0.910 588 Q HN 0.359 nan 8.270 nan 0.000 0.433 589 F N -1.475 118.518 119.950 0.073 0.000 2.668 589 F HA 0.330 4.858 4.527 0.002 0.000 0.301 589 F C 1.072 176.921 175.800 0.082 0.000 1.106 589 F CA 0.230 58.277 58.000 0.078 0.000 1.289 589 F CB 1.182 40.235 39.000 0.089 0.000 1.006 589 F HN 0.039 nan 8.300 nan 0.000 0.535 590 G N 0.983 109.881 108.800 0.165 0.000 2.136 590 G HA2 -0.273 3.688 3.960 0.002 0.000 0.242 590 G HA3 -0.273 3.688 3.960 0.002 0.000 0.242 590 G C -0.101 174.884 174.900 0.142 0.000 0.989 590 G CA -0.217 44.957 45.100 0.123 0.000 0.682 590 G HN 0.286 nan 8.290 nan 0.000 0.522 591 L N 0.423 121.757 121.223 0.185 0.000 2.331 591 L HA 0.519 4.860 4.340 0.002 0.000 0.275 591 L C 0.211 177.197 176.870 0.193 0.000 1.022 591 L CA -1.267 53.686 54.840 0.188 0.000 0.812 591 L CB 1.048 43.254 42.059 0.244 0.000 1.257 591 L HN -0.045 nan 8.230 nan 0.000 0.435 592 D N 0.534 121.053 120.400 0.198 0.000 2.384 592 D HA 0.076 4.717 4.640 0.002 0.000 0.244 592 D C -0.113 176.275 176.300 0.147 0.000 1.251 592 D CA -0.082 54.104 54.000 0.311 0.000 0.961 592 D CB 0.952 41.936 40.800 0.308 0.000 1.116 592 D HN 0.464 nan 8.370 nan 0.000 0.484 593 D N -1.006 119.336 120.400 -0.096 0.000 2.443 593 D HA 0.214 4.855 4.640 0.002 0.000 0.249 593 D C 0.527 176.724 176.300 -0.171 0.000 1.218 593 D CA -0.278 53.592 54.000 -0.216 0.000 1.108 593 D CB 0.361 40.919 40.800 -0.403 0.000 1.197 593 D HN 0.237 nan 8.370 nan 0.000 0.600 594 L N -1.072 120.038 121.223 -0.188 0.000 3.135 594 L HA 0.405 4.746 4.340 0.002 0.000 0.279 594 L C 1.362 178.148 176.870 -0.140 0.000 1.200 594 L CA 0.061 54.831 54.840 -0.117 0.000 1.016 594 L CB -0.226 41.786 42.059 -0.079 0.000 1.391 594 L HN 0.314 nan 8.230 nan 0.000 0.588 595 Q N 0.126 119.777 119.800 -0.249 0.000 2.354 595 Q HA 0.060 4.402 4.340 0.002 0.000 0.203 595 Q C -0.151 175.778 176.000 -0.119 0.000 0.933 595 Q CA 0.979 56.659 55.803 -0.206 0.000 0.901 595 Q CB -0.488 28.110 28.738 -0.232 0.000 1.007 595 Q HN 0.696 nan 8.270 nan 0.000 0.495 596 H N 0.929 119.992 119.070 -0.011 0.000 2.724 596 H HA 0.419 4.976 4.556 0.002 0.000 0.278 596 H C -0.909 174.414 175.328 -0.010 0.000 1.159 596 H CA -0.912 55.130 56.048 -0.009 0.000 1.254 596 H CB 0.564 30.324 29.762 -0.005 0.000 1.412 596 H HN 0.238 nan 8.280 nan 0.000 0.488 597 Q N 0.000 119.849 119.800 0.081 0.000 2.315 597 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 597 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 597 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 597 Q HN 0.000 nan 8.270 nan 0.000 0.481