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 1jv3_1_B DATA FIRST_RESID 4 DATA SEQUENCE NDLKLTLSKA GQEHLLRFWN EXXXXXQVEL YAELQAMNFE ELNFFFQKAI DATA SEQUENCE EGFXXXXXXX XVDARMEPVP REVLGSATRD QDQLQAWESE GLFQISQNKV DATA SEQUENCE AVLLLAGGQG TRLGVAYPKG MYDVGLPSRK TLFQIQAERI LKLQQVAEKY DATA SEQUENCE YGNKCIIPWY IMTSGRTMES TKEFFTKHKY FGLKKENVIF FQQGMLPAMS DATA SEQUENCE FDGKIILEEK NKVSMAPDGN GGLYRALAAQ NIVEDMEQRG IWSIHVYCVD DATA SEQUENCE NILVKVADPR FIGFCIQKGA DCGAKVVEKT NPTEPVGVVC RVDGVYQVVE DATA SEQUENCE YSEISLATAQ KRSSDGRLLF NAGNIANHFF TVPFLRDVVN VYEPQLQHHV DATA SEQUENCE AQKKIPYVDT QGQLIKPDKP NGIKMEKFVF DIFQFAKKFV VYEVLREDEF DATA SEQUENCE SPLKNADSQN GKDNPTTARH ALMSLHHCWV LNAGGHFIDE NGSRLPAIPR DATA SEQUENCE LKDANDVPIQ CEISPLISYA GEGLESYVAD KEFHAPLIID ENGVHEL 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.468 175.510 -0.070 0.000 1.280 4 N CA 0.000 52.994 53.050 -0.094 0.000 0.885 4 N CB 0.000 38.438 38.487 -0.081 0.000 1.341 5 D N 0.355 120.728 120.400 -0.045 0.000 2.084 5 D HA -0.052 4.590 4.640 0.004 0.000 0.199 5 D C 1.752 178.029 176.300 -0.037 0.000 0.981 5 D CA 0.769 54.754 54.000 -0.025 0.000 0.841 5 D CB 0.175 40.979 40.800 0.006 0.000 0.997 5 D HN 0.138 nan 8.370 nan 0.000 0.454 6 L N 1.218 122.428 121.223 -0.022 0.000 2.291 6 L HA -0.053 4.289 4.340 0.004 0.000 0.214 6 L C 2.033 178.828 176.870 -0.125 0.000 1.120 6 L CA 1.397 56.205 54.840 -0.054 0.000 0.799 6 L CB -0.324 41.718 42.059 -0.028 0.000 0.925 6 L HN -0.131 nan 8.230 nan 0.000 0.446 7 K N -1.066 119.250 120.400 -0.139 0.000 2.288 7 K HA -0.144 4.179 4.320 0.004 0.000 0.201 7 K C 1.909 178.420 176.600 -0.149 0.000 1.048 7 K CA 1.090 57.267 56.287 -0.183 0.000 0.956 7 K CB -0.036 32.339 32.500 -0.209 0.000 0.746 7 K HN 0.330 nan 8.250 nan 0.000 0.461 8 L N 0.571 121.725 121.223 -0.114 0.000 2.270 8 L HA 0.013 4.356 4.340 0.004 0.000 0.210 8 L C 1.640 178.447 176.870 -0.104 0.000 1.104 8 L CA 1.485 56.269 54.840 -0.093 0.000 0.804 8 L CB -0.310 41.709 42.059 -0.065 0.000 0.937 8 L HN 0.081 nan 8.230 nan 0.000 0.450 9 T N 0.045 114.527 114.554 -0.120 0.000 2.652 9 T HA -0.180 4.172 4.350 0.004 0.000 0.267 9 T C 1.826 176.389 174.700 -0.228 0.000 1.039 9 T CA 1.885 63.908 62.100 -0.129 0.000 1.153 9 T CB -0.429 68.376 68.868 -0.105 0.000 0.863 9 T HN 0.193 nan 8.240 nan 0.000 0.428 10 L N 1.515 122.526 121.223 -0.354 0.000 2.187 10 L HA -0.084 4.258 4.340 0.004 0.000 0.213 10 L C 2.720 179.451 176.870 -0.231 0.000 1.100 10 L CA 1.332 55.901 54.840 -0.453 0.000 0.765 10 L CB -1.051 40.745 42.059 -0.438 0.000 0.904 10 L HN 0.212 nan 8.230 nan 0.000 0.437 11 S N -0.491 115.114 115.700 -0.158 0.000 2.345 11 S HA -0.180 4.293 4.470 0.004 0.000 0.220 11 S C 2.020 176.577 174.600 -0.072 0.000 1.031 11 S CA 1.556 59.700 58.200 -0.094 0.000 0.996 11 S CB -0.548 62.605 63.200 -0.078 0.000 0.882 11 S HN 0.544 nan 8.310 nan 0.000 0.445 12 K N 0.428 120.786 120.400 -0.071 0.000 2.668 12 K HA 0.602 4.925 4.320 0.004 0.000 0.204 12 K C 0.958 177.538 176.600 -0.034 0.000 1.016 12 K CA 0.789 57.049 56.287 -0.044 0.000 1.131 12 K CB -0.997 31.482 32.500 -0.036 0.000 0.891 12 K HN 0.497 nan 8.250 nan 0.000 0.499 13 A N -1.988 120.802 122.820 -0.050 0.000 2.701 13 A HA 0.515 4.837 4.320 0.004 0.000 0.241 13 A C 1.648 179.221 177.584 -0.019 0.000 1.231 13 A CA 0.803 52.828 52.037 -0.020 0.000 1.003 13 A CB -0.141 18.852 19.000 -0.012 0.000 1.281 13 A HN 1.485 nan 8.150 nan 0.000 0.600 14 G N 0.018 108.798 108.800 -0.034 0.000 2.203 14 G HA2 -0.274 3.688 3.960 0.004 0.000 0.263 14 G HA3 -0.274 3.688 3.960 0.004 0.000 0.263 14 G C 0.383 175.300 174.900 0.028 0.000 1.012 14 G CA 0.729 45.817 45.100 -0.020 0.000 0.749 14 G HN 0.452 nan 8.290 nan 0.000 0.512 15 Q N -0.652 119.155 119.800 0.010 0.000 2.189 15 Q HA 0.258 4.601 4.340 0.004 0.000 0.221 15 Q C 1.653 177.639 176.000 -0.023 0.000 0.848 15 Q CA 0.423 56.279 55.803 0.088 0.000 1.007 15 Q CB 0.394 29.045 28.738 -0.145 0.000 1.116 15 Q HN 0.678 nan 8.270 nan 0.000 0.481 16 E N 0.616 120.841 120.200 0.041 0.000 2.085 16 E HA -0.220 4.132 4.350 0.004 0.000 0.194 16 E C 1.651 178.262 176.600 0.017 0.000 0.994 16 E CA 1.581 57.968 56.400 -0.022 0.000 0.801 16 E CB -0.506 29.192 29.700 -0.003 0.000 0.743 16 E HN 0.519 nan 8.360 nan 0.000 0.453 17 H N 0.997 120.056 119.070 -0.018 0.000 2.523 17 H HA -0.171 4.387 4.556 0.004 0.000 0.296 17 H C 1.758 177.141 175.328 0.091 0.000 1.106 17 H CA 1.213 57.287 56.048 0.043 0.000 1.230 17 H CB -0.818 28.968 29.762 0.041 0.000 1.359 17 H HN 0.236 nan 8.280 nan 0.000 0.552 18 L N 0.296 121.256 121.223 -0.439 0.000 2.046 18 L HA -0.118 4.224 4.340 0.004 0.000 0.208 18 L C 2.438 179.319 176.870 0.018 0.000 1.077 18 L CA 0.952 55.633 54.840 -0.266 0.000 0.747 18 L CB -0.259 41.649 42.059 -0.252 0.000 0.896 18 L HN 0.213 nan 8.230 nan 0.000 0.432 19 L N -0.552 120.696 121.223 0.042 0.000 2.627 19 L HA 0.007 4.350 4.340 0.004 0.000 0.233 19 L C 2.312 179.327 176.870 0.241 0.000 1.144 19 L CA 0.021 54.963 54.840 0.171 0.000 0.892 19 L CB -0.429 41.647 42.059 0.028 0.000 1.039 19 L HN 0.201 nan 8.230 nan 0.000 0.442 20 R N 0.449 121.090 120.500 0.236 0.000 2.261 20 R HA -0.169 4.174 4.340 0.004 0.000 0.236 20 R C 0.752 177.136 176.300 0.141 0.000 1.141 20 R CA 1.489 57.712 56.100 0.205 0.000 1.001 20 R CB 0.052 30.511 30.300 0.264 0.000 0.866 20 R HN 0.249 nan 8.270 nan 0.000 0.468 21 F N -1.712 118.309 119.950 0.118 0.000 2.698 21 F HA 0.118 4.647 4.527 0.004 0.000 0.304 21 F C 1.099 176.969 175.800 0.117 0.000 1.108 21 F CA -1.100 56.956 58.000 0.094 0.000 1.263 21 F CB -0.117 38.918 39.000 0.057 0.000 1.013 21 F HN 0.119 nan 8.300 nan 0.000 0.532 22 W N 1.599 122.981 121.300 0.137 0.000 2.392 22 W HA -0.097 4.566 4.660 0.004 0.000 0.279 22 W C 0.349 176.898 176.519 0.050 0.000 1.225 22 W CA 1.385 58.781 57.345 0.085 0.000 1.233 22 W CB -0.247 29.249 29.460 0.060 0.000 1.122 22 W HN 0.073 nan 8.180 nan 0.000 0.561 23 N N 1.390 120.177 118.700 0.146 0.000 2.509 23 N HA 0.012 4.754 4.740 0.004 0.000 0.239 23 N C -0.478 175.012 175.510 -0.034 0.000 1.215 23 N CA 0.166 53.241 53.050 0.041 0.000 0.882 23 N CB 0.084 38.611 38.487 0.066 0.000 1.189 23 N HN 0.230 nan 8.380 nan 0.000 0.490 31 V N 1.182 121.069 119.914 -0.044 0.000 2.326 31 V HA -0.160 3.963 4.120 0.004 0.000 0.238 31 V C 1.681 177.863 176.094 0.147 0.000 1.038 31 V CA 2.444 64.778 62.300 0.057 0.000 1.032 31 V CB 0.343 32.178 31.823 0.020 0.000 0.675 31 V HN 0.398 nan 8.190 nan 0.000 0.467 32 E N 1.118 121.374 120.200 0.093 0.000 2.204 32 E HA -0.194 4.158 4.350 0.004 0.000 0.194 32 E C 1.809 178.487 176.600 0.130 0.000 0.989 32 E CA 1.539 57.998 56.400 0.099 0.000 0.824 32 E CB -1.088 28.643 29.700 0.052 0.000 0.756 32 E HN 0.532 nan 8.360 nan 0.000 0.477 33 L N -0.437 120.877 121.223 0.151 0.000 2.456 33 L HA -0.016 4.326 4.340 0.004 0.000 0.224 33 L C 1.722 178.770 176.870 0.297 0.000 1.148 33 L CA 1.369 56.323 54.840 0.190 0.000 0.825 33 L CB -0.405 41.770 42.059 0.192 0.000 0.937 33 L HN 0.198 nan 8.230 nan 0.000 0.450 34 Y N -0.933 119.494 120.300 0.211 0.000 2.441 34 Y HA 0.228 4.780 4.550 0.004 0.000 0.288 34 Y C 2.328 178.306 175.900 0.130 0.000 1.118 34 Y CA 0.768 58.998 58.100 0.217 0.000 1.215 34 Y CB -0.136 38.488 38.460 0.274 0.000 1.118 34 Y HN 0.131 nan 8.280 nan 0.000 0.547 35 A N 0.048 122.976 122.820 0.179 0.000 1.969 35 A HA -0.170 4.153 4.320 0.004 0.000 0.218 35 A C 2.130 179.717 177.584 0.005 0.000 1.169 35 A CA 1.806 53.889 52.037 0.076 0.000 0.635 35 A CB -0.627 18.436 19.000 0.104 0.000 0.810 35 A HN 0.608 nan 8.150 nan 0.000 0.445 36 E N -0.863 119.352 120.200 0.025 0.000 2.122 36 E HA -0.074 4.278 4.350 0.004 0.000 0.190 36 E C 1.822 178.412 176.600 -0.017 0.000 0.977 36 E CA 0.619 57.022 56.400 0.005 0.000 0.820 36 E CB -0.098 29.617 29.700 0.026 0.000 0.770 36 E HN 0.403 nan 8.360 nan 0.000 0.462 37 L N 1.269 122.495 121.223 0.004 0.000 2.044 37 L HA -0.084 4.259 4.340 0.004 0.000 0.205 37 L C 2.010 178.884 176.870 0.006 0.000 1.075 37 L CA 1.656 56.533 54.840 0.062 0.000 0.747 37 L CB -0.190 41.920 42.059 0.087 0.000 0.903 37 L HN 0.096 nan 8.230 nan 0.000 0.435 38 Q N -0.996 118.698 119.800 -0.176 0.000 2.283 38 Q HA 0.163 4.506 4.340 0.004 0.000 0.223 38 Q C 0.538 176.468 176.000 -0.117 0.000 0.918 38 Q CA 0.383 56.072 55.803 -0.188 0.000 0.952 38 Q CB 0.056 28.546 28.738 -0.412 0.000 1.030 38 Q HN 0.540 nan 8.270 nan 0.000 0.452 39 A N -0.057 122.695 122.820 -0.113 0.000 2.628 39 A HA 0.326 4.648 4.320 0.004 0.000 0.267 39 A C -0.085 177.400 177.584 -0.166 0.000 1.159 39 A CA -0.370 51.604 52.037 -0.106 0.000 0.972 39 A CB 0.544 19.500 19.000 -0.073 0.000 1.211 39 A HN 0.312 nan 8.150 nan 0.000 0.576 40 M N 1.398 120.820 119.600 -0.297 0.000 2.125 40 M HA 0.293 4.776 4.480 0.004 0.000 0.321 40 M C -0.235 175.698 176.300 -0.611 0.000 0.983 40 M CA -0.573 54.409 55.300 -0.529 0.000 0.934 40 M CB 1.314 33.381 32.600 -0.888 0.000 1.542 40 M HN 0.181 nan 8.290 nan 0.000 0.424 41 N N 3.186 121.676 118.700 -0.349 0.000 2.819 41 N HA 0.051 4.793 4.740 0.004 0.000 0.284 41 N C 0.206 175.585 175.510 -0.218 0.000 1.196 41 N CA 0.183 53.107 53.050 -0.210 0.000 1.114 41 N CB -0.077 38.328 38.487 -0.137 0.000 1.437 41 N HN 0.528 nan 8.380 nan 0.000 0.518 42 F N 1.181 121.099 119.950 -0.054 0.000 2.225 42 F HA -0.233 4.297 4.527 0.004 0.000 0.302 42 F C 1.914 177.685 175.800 -0.050 0.000 1.068 42 F CA 1.231 59.203 58.000 -0.046 0.000 1.327 42 F CB -0.028 38.947 39.000 -0.042 0.000 1.043 42 F HN 0.440 nan 8.300 nan 0.000 0.506 43 E N -0.065 120.191 120.200 0.094 0.000 2.031 43 E HA -0.234 4.118 4.350 0.004 0.000 0.193 43 E C 2.148 178.727 176.600 -0.035 0.000 0.994 43 E CA 1.394 57.810 56.400 0.027 0.000 0.800 43 E CB -0.339 29.355 29.700 -0.011 0.000 0.752 43 E HN 0.491 nan 8.360 nan 0.000 0.447 44 E N 0.900 121.019 120.200 -0.135 0.000 2.051 44 E HA -0.193 4.160 4.350 0.004 0.000 0.192 44 E C 2.064 178.422 176.600 -0.403 0.000 0.991 44 E CA 0.837 57.039 56.400 -0.330 0.000 0.799 44 E CB -0.048 29.397 29.700 -0.424 0.000 0.748 44 E HN 0.202 nan 8.360 nan 0.000 0.449 45 L N 0.988 122.086 121.223 -0.208 0.000 2.187 45 L HA -0.198 4.145 4.340 0.004 0.000 0.213 45 L C 2.165 179.079 176.870 0.073 0.000 1.100 45 L CA 0.757 55.569 54.840 -0.047 0.000 0.765 45 L CB -0.550 41.491 42.059 -0.029 0.000 0.904 45 L HN 0.180 nan 8.230 nan 0.000 0.437 46 N N -0.237 118.513 118.700 0.084 0.000 2.250 46 N HA -0.144 4.598 4.740 0.004 0.000 0.181 46 N C 1.684 177.327 175.510 0.222 0.000 1.017 46 N CA 0.933 54.074 53.050 0.152 0.000 0.866 46 N CB -0.219 38.342 38.487 0.123 0.000 0.985 46 N HN 0.216 nan 8.380 nan 0.000 0.429 47 F N 1.086 121.031 119.950 -0.007 0.000 2.146 47 F HA 0.022 4.551 4.527 0.004 0.000 0.298 47 F C 1.947 177.841 175.800 0.157 0.000 1.096 47 F CA 1.068 59.078 58.000 0.017 0.000 1.275 47 F CB -0.668 38.273 39.000 -0.097 0.000 1.008 47 F HN -0.071 nan 8.300 nan 0.000 0.480 48 F N -1.060 118.832 119.950 -0.095 0.000 2.075 48 F HA -0.242 4.287 4.527 0.004 0.000 0.297 48 F C 2.464 178.131 175.800 -0.222 0.000 1.113 48 F CA 1.076 58.922 58.000 -0.256 0.000 1.218 48 F CB -0.862 37.994 39.000 -0.240 0.000 0.984 48 F HN 0.109 nan 8.300 nan 0.000 0.472 49 F N 1.495 121.453 119.950 0.013 0.000 2.046 49 F HA -0.298 4.231 4.527 0.004 0.000 0.297 49 F C 2.476 178.253 175.800 -0.039 0.000 1.123 49 F CA 1.950 59.930 58.000 -0.033 0.000 1.199 49 F CB -0.742 38.253 39.000 -0.008 0.000 0.972 49 F HN -0.071 nan 8.300 nan 0.000 0.474 50 Q N 0.247 120.091 119.800 0.072 0.000 2.045 50 Q HA -0.294 4.048 4.340 0.004 0.000 0.206 50 Q C 2.317 178.212 176.000 -0.175 0.000 0.991 50 Q CA 2.450 58.235 55.803 -0.030 0.000 0.851 50 Q CB -0.357 28.456 28.738 0.124 0.000 0.911 50 Q HN 0.422 nan 8.270 nan 0.000 0.418 51 K N -0.110 120.159 120.400 -0.218 0.000 2.097 51 K HA -0.123 4.200 4.320 0.004 0.000 0.206 51 K C 1.950 178.414 176.600 -0.227 0.000 1.049 51 K CA 1.069 57.209 56.287 -0.246 0.000 0.933 51 K CB -0.125 32.112 32.500 -0.438 0.000 0.717 51 K HN 0.219 nan 8.250 nan 0.000 0.442 52 A N 0.916 123.581 122.820 -0.259 0.000 1.933 52 A HA -0.111 4.211 4.320 0.004 0.000 0.218 52 A C 1.933 179.359 177.584 -0.263 0.000 1.175 52 A CA 1.130 53.017 52.037 -0.250 0.000 0.628 52 A CB -0.309 18.536 19.000 -0.258 0.000 0.814 52 A HN 0.271 nan 8.150 nan 0.000 0.444 53 I N -0.291 120.056 120.570 -0.371 0.000 2.852 53 I HA -0.002 4.170 4.170 0.004 0.000 0.264 53 I C 0.898 176.946 176.117 -0.116 0.000 1.179 53 I CA 0.326 61.458 61.300 -0.281 0.000 1.480 53 I CB -1.146 36.541 38.000 -0.522 0.000 1.111 53 I HN 0.381 nan 8.210 nan 0.000 0.441 54 E N 1.610 121.730 120.200 -0.133 0.000 2.708 54 E HA 0.003 4.355 4.350 0.004 0.000 0.260 54 E C 1.375 177.964 176.600 -0.018 0.000 0.937 54 E CA 1.116 57.480 56.400 -0.060 0.000 0.953 54 E CB -0.075 29.585 29.700 -0.067 0.000 0.915 54 E HN 0.491 nan 8.360 nan 0.000 0.487 55 G N 3.802 112.616 108.800 0.022 0.000 2.228 55 G HA2 -0.373 3.589 3.960 0.004 0.000 0.270 55 G HA3 -0.373 3.589 3.960 0.004 0.000 0.270 55 G C 0.411 175.395 174.900 0.140 0.000 0.976 55 G CA 0.131 45.261 45.100 0.050 0.000 0.636 55 G HN 1.186 nan 8.290 nan 0.000 0.542 66 D N 2.069 122.412 120.400 -0.095 0.000 2.158 66 D HA -0.132 4.510 4.640 0.004 0.000 0.197 66 D C 2.020 178.279 176.300 -0.068 0.000 0.995 66 D CA 1.858 55.788 54.000 -0.116 0.000 0.846 66 D CB -0.058 40.685 40.800 -0.095 0.000 0.941 66 D HN 0.584 nan 8.370 nan 0.000 0.456 67 A N 0.392 123.189 122.820 -0.038 0.000 1.930 67 A HA -0.018 4.304 4.320 0.004 0.000 0.217 67 A C 2.318 179.904 177.584 0.003 0.000 1.175 67 A CA 1.900 53.932 52.037 -0.008 0.000 0.627 67 A CB -0.807 18.188 19.000 -0.009 0.000 0.815 67 A HN 0.280 nan 8.150 nan 0.000 0.443 68 R N -0.817 119.674 120.500 -0.016 0.000 2.310 68 R HA 0.494 4.837 4.340 0.004 0.000 0.202 68 R C 0.880 177.181 176.300 0.003 0.000 0.933 68 R CA 0.632 56.726 56.100 -0.010 0.000 1.054 68 R CB -0.981 29.302 30.300 -0.028 0.000 0.985 68 R HN 0.638 nan 8.270 nan 0.000 0.489 69 M N 1.426 121.025 119.600 -0.002 0.000 2.245 69 M HA 0.180 4.663 4.480 0.004 0.000 0.344 69 M C -0.408 176.053 176.300 0.268 0.000 1.170 69 M CA 0.826 56.145 55.300 0.033 0.000 1.135 69 M CB 0.968 33.419 32.600 -0.247 0.000 1.574 69 M HN 0.352 nan 8.290 nan 0.000 0.452 70 E N 4.055 124.441 120.200 0.311 0.000 2.317 70 E HA 0.469 4.822 4.350 0.004 0.000 0.270 70 E C -2.468 174.321 176.600 0.315 0.000 0.885 70 E CA -2.003 54.551 56.400 0.257 0.000 0.760 70 E CB 1.975 31.726 29.700 0.085 0.000 1.227 70 E HN 0.355 nan 8.360 nan 0.000 0.434 71 P HA -0.008 nan 4.420 nan 0.000 0.271 71 P C -0.117 177.237 177.300 0.090 0.000 1.244 71 P CA -0.304 62.724 63.100 -0.119 0.000 0.793 71 P CB 0.629 32.127 31.700 -0.336 0.000 0.984 72 V N 3.604 123.597 119.914 0.131 0.000 2.479 72 V HA 0.092 4.215 4.120 0.004 0.000 0.281 72 V C -1.268 174.912 176.094 0.143 0.000 1.031 72 V CA -0.903 61.531 62.300 0.224 0.000 1.038 72 V CB -0.094 31.840 31.823 0.184 0.000 0.981 72 V HN 0.635 nan 8.190 nan 0.000 0.478 73 P HA 0.216 nan 4.420 nan 0.000 0.275 73 P C 0.394 177.749 177.300 0.093 0.000 1.228 73 P CA -0.463 62.710 63.100 0.121 0.000 0.786 73 P CB 0.882 32.674 31.700 0.153 0.000 0.927 74 R N 1.511 122.047 120.500 0.060 0.000 2.200 74 R HA -0.162 4.181 4.340 0.004 0.000 0.234 74 R C 1.656 177.994 176.300 0.064 0.000 1.127 74 R CA 1.493 57.623 56.100 0.050 0.000 0.989 74 R CB -0.418 29.904 30.300 0.036 0.000 0.869 74 R HN 0.531 nan 8.270 nan 0.000 0.459 75 E N 0.481 120.724 120.200 0.072 0.000 2.150 75 E HA -0.125 4.227 4.350 0.004 0.000 0.193 75 E C 1.813 178.451 176.600 0.065 0.000 0.985 75 E CA 1.393 57.835 56.400 0.070 0.000 0.814 75 E CB 0.050 29.793 29.700 0.072 0.000 0.752 75 E HN 0.370 nan 8.360 nan 0.000 0.466 76 V N -1.478 118.473 119.914 0.061 0.000 3.621 76 V HA 0.246 4.368 4.120 0.004 0.000 0.285 76 V C 0.466 176.574 176.094 0.022 0.000 1.346 76 V CA -0.441 61.860 62.300 0.003 0.000 1.104 76 V CB -0.268 31.513 31.823 -0.071 0.000 0.913 76 V HN 0.074 nan 8.190 nan 0.000 0.432 77 L N 2.847 124.103 121.223 0.055 0.000 2.265 77 L HA 0.869 5.212 4.340 0.004 0.000 0.288 77 L C 0.455 177.366 176.870 0.069 0.000 1.058 77 L CA 0.143 55.006 54.840 0.038 0.000 0.809 77 L CB 0.638 42.699 42.059 0.004 0.000 1.179 77 L HN 0.231 nan 8.230 nan 0.000 0.429 78 G N 2.364 111.153 108.800 -0.017 0.000 2.420 78 G HA2 0.561 4.524 3.960 0.004 0.000 0.331 78 G HA3 0.561 4.524 3.960 0.004 0.000 0.331 78 G C -1.387 173.308 174.900 -0.341 0.000 1.168 78 G CA -0.481 44.534 45.100 -0.141 0.000 0.936 78 G HN 0.621 nan 8.290 nan 0.000 0.479 79 S N -0.053 115.529 115.700 -0.198 0.000 2.561 79 S HA 0.539 5.011 4.470 0.004 0.000 0.303 79 S C 1.117 175.597 174.600 -0.201 0.000 1.110 79 S CA 0.185 58.208 58.200 -0.297 0.000 1.034 79 S CB 1.497 64.610 63.200 -0.145 0.000 1.010 79 S HN 1.184 nan 8.310 nan 0.000 0.482 80 A N 3.936 126.523 122.820 -0.389 0.000 2.019 80 A HA 0.040 4.363 4.320 0.004 0.000 0.219 80 A C 1.862 179.431 177.584 -0.026 0.000 1.164 80 A CA 2.124 54.099 52.037 -0.103 0.000 0.644 80 A CB -0.966 17.954 19.000 -0.133 0.000 0.805 80 A HN 0.789 nan 8.150 nan 0.000 0.449 81 T N -0.706 113.804 114.554 -0.073 0.000 2.755 81 T HA -0.023 4.330 4.350 0.004 0.000 0.251 81 T C 2.044 176.731 174.700 -0.023 0.000 1.044 81 T CA 1.096 63.172 62.100 -0.039 0.000 1.154 81 T CB -0.191 68.646 68.868 -0.051 0.000 0.866 81 T HN 0.459 nan 8.240 nan 0.000 0.416 82 R N 1.230 121.713 120.500 -0.027 0.000 2.189 82 R HA -0.014 4.328 4.340 0.004 0.000 0.223 82 R C 0.458 176.764 176.300 0.011 0.000 1.092 82 R CA 0.990 57.085 56.100 -0.009 0.000 0.989 82 R CB 0.019 30.313 30.300 -0.010 0.000 0.876 82 R HN 0.349 nan 8.270 nan 0.000 0.457 83 D N -0.164 120.259 120.400 0.037 0.000 2.643 83 D HA -0.022 4.620 4.640 0.004 0.000 0.244 83 D C 0.802 177.077 176.300 -0.041 0.000 1.257 83 D CA 0.022 54.045 54.000 0.039 0.000 0.831 83 D CB 0.742 41.674 40.800 0.220 0.000 1.043 83 D HN 0.214 nan 8.370 nan 0.000 0.488 84 Q N 1.294 121.078 119.800 -0.027 0.000 2.234 84 Q HA -0.194 4.149 4.340 0.004 0.000 0.206 84 Q C 0.979 176.920 176.000 -0.098 0.000 0.980 84 Q CA 1.636 57.416 55.803 -0.038 0.000 0.869 84 Q CB 0.219 28.945 28.738 -0.020 0.000 0.912 84 Q HN 0.153 nan 8.270 nan 0.000 0.436 85 D N -0.709 119.620 120.400 -0.119 0.000 2.392 85 D HA -0.169 4.473 4.640 0.004 0.000 0.228 85 D C 0.900 177.049 176.300 -0.250 0.000 1.003 85 D CA 0.842 54.756 54.000 -0.143 0.000 0.917 85 D CB -0.043 40.694 40.800 -0.106 0.000 0.890 85 D HN 0.462 nan 8.370 nan 0.000 0.532 86 Q N -0.606 118.937 119.800 -0.428 0.000 2.164 86 Q HA 0.277 4.619 4.340 0.004 0.000 0.226 86 Q C 1.948 177.440 176.000 -0.847 0.000 0.813 86 Q CA -0.232 55.102 55.803 -0.782 0.000 0.978 86 Q CB 0.665 28.628 28.738 -1.291 0.000 1.149 86 Q HN 0.259 nan 8.270 nan 0.000 0.489 87 L N 0.751 121.734 121.223 -0.399 0.000 2.127 87 L HA -0.249 4.094 4.340 0.004 0.000 0.211 87 L C 2.457 179.321 176.870 -0.010 0.000 1.089 87 L CA 1.227 56.039 54.840 -0.047 0.000 0.757 87 L CB -0.253 41.850 42.059 0.074 0.000 0.899 87 L HN 0.258 nan 8.230 nan 0.000 0.434 88 Q N 0.315 120.066 119.800 -0.082 0.000 2.020 88 Q HA -0.155 4.188 4.340 0.004 0.000 0.202 88 Q C 2.260 178.256 176.000 -0.007 0.000 0.982 88 Q CA 2.196 57.985 55.803 -0.024 0.000 0.838 88 Q CB -0.320 28.392 28.738 -0.043 0.000 0.899 88 Q HN 0.418 nan 8.270 nan 0.000 0.423 89 A N -0.342 122.420 122.820 -0.097 0.000 1.883 89 A HA -0.182 4.141 4.320 0.004 0.000 0.217 89 A C 1.880 179.525 177.584 0.102 0.000 1.186 89 A CA 1.612 53.618 52.037 -0.052 0.000 0.624 89 A CB -1.265 17.640 19.000 -0.158 0.000 0.822 89 A HN 0.610 nan 8.150 nan 0.000 0.444 90 W N -0.189 121.138 121.300 0.046 0.000 2.355 90 W HA -0.121 4.541 4.660 0.004 0.000 0.309 90 W C 2.270 178.808 176.519 0.030 0.000 1.206 90 W CA 0.992 58.358 57.345 0.035 0.000 1.284 90 W CB -1.293 28.201 29.460 0.058 0.000 1.145 90 W HN 0.636 nan 8.180 nan 0.000 0.502 91 E N 0.162 120.525 120.200 0.271 0.000 2.118 91 E HA -0.192 4.160 4.350 0.004 0.000 0.195 91 E C 2.181 178.875 176.600 0.156 0.000 0.992 91 E CA 2.072 58.572 56.400 0.168 0.000 0.804 91 E CB -0.090 29.686 29.700 0.126 0.000 0.741 91 E HN -0.008 nan 8.360 nan 0.000 0.458 92 S N 0.363 116.168 115.700 0.176 0.000 2.356 92 S HA -0.200 4.273 4.470 0.004 0.000 0.223 92 S C 1.808 176.561 174.600 0.255 0.000 1.032 92 S CA 1.367 59.704 58.200 0.228 0.000 1.005 92 S CB -0.308 62.995 63.200 0.172 0.000 0.867 92 S HN 0.305 nan 8.310 nan 0.000 0.449 93 E N 1.271 121.590 120.200 0.198 0.000 2.058 93 E HA -0.102 4.251 4.350 0.004 0.000 0.194 93 E C 2.042 178.750 176.600 0.180 0.000 0.997 93 E CA 1.618 58.133 56.400 0.192 0.000 0.801 93 E CB -0.915 28.878 29.700 0.154 0.000 0.746 93 E HN 0.415 nan 8.360 nan 0.000 0.450 94 G N 0.317 109.192 108.800 0.126 0.000 2.402 94 G HA2 -0.212 3.750 3.960 0.004 0.000 0.216 94 G HA3 -0.212 3.750 3.960 0.004 0.000 0.216 94 G C 1.621 176.551 174.900 0.050 0.000 1.162 94 G CA 0.812 45.950 45.100 0.063 0.000 0.777 94 G HN 0.305 nan 8.290 nan 0.000 0.539 95 L N -0.812 120.465 121.223 0.090 0.000 2.141 95 L HA 0.066 4.408 4.340 0.004 0.000 0.209 95 L C 2.506 179.393 176.870 0.027 0.000 1.094 95 L CA 0.577 55.469 54.840 0.088 0.000 0.763 95 L CB -0.294 41.877 42.059 0.187 0.000 0.908 95 L HN 0.237 nan 8.230 nan 0.000 0.437 96 F N 0.614 120.477 119.950 -0.145 0.000 2.102 96 F HA -0.230 4.299 4.527 0.004 0.000 0.298 96 F C 2.680 178.289 175.800 -0.318 0.000 1.105 96 F CA 1.488 59.182 58.000 -0.509 0.000 1.239 96 F CB -0.251 38.597 39.000 -0.252 0.000 0.991 96 F HN 0.037 nan 8.300 nan 0.000 0.474 97 Q N 0.540 120.232 119.800 -0.179 0.000 2.096 97 Q HA -0.193 4.150 4.340 0.004 0.000 0.204 97 Q C 2.545 178.425 176.000 -0.200 0.000 0.982 97 Q CA 2.025 57.711 55.803 -0.194 0.000 0.850 97 Q CB -0.669 28.080 28.738 0.019 0.000 0.901 97 Q HN 0.529 nan 8.270 nan 0.000 0.422 98 I N 0.962 121.445 120.570 -0.144 0.000 2.286 98 I HA -0.257 3.915 4.170 0.004 0.000 0.248 98 I C 2.441 178.464 176.117 -0.157 0.000 1.115 98 I CA 1.369 62.603 61.300 -0.109 0.000 1.392 98 I CB -0.352 37.600 38.000 -0.081 0.000 1.065 98 I HN 0.186 nan 8.210 nan 0.000 0.418 99 S N 0.075 115.616 115.700 -0.264 0.000 2.423 99 S HA -0.157 4.315 4.470 0.004 0.000 0.231 99 S C 1.760 176.185 174.600 -0.291 0.000 1.014 99 S CA 0.662 58.710 58.200 -0.254 0.000 0.965 99 S CB -0.249 62.719 63.200 -0.387 0.000 0.785 99 S HN 0.424 nan 8.310 nan 0.000 0.495 100 Q N 1.005 120.547 119.800 -0.430 0.000 2.415 100 Q HA 0.193 4.535 4.340 0.004 0.000 0.206 100 Q C -0.110 175.783 176.000 -0.179 0.000 0.946 100 Q CA 0.022 55.608 55.803 -0.361 0.000 0.951 100 Q CB -0.425 27.995 28.738 -0.530 0.000 1.026 100 Q HN 0.575 nan 8.270 nan 0.000 0.510 101 N N 0.377 119.002 118.700 -0.124 0.000 2.753 101 N HA -0.178 4.564 4.740 0.004 0.000 0.251 101 N C -0.217 175.290 175.510 -0.005 0.000 1.097 101 N CA 1.016 54.038 53.050 -0.046 0.000 0.786 101 N CB -0.936 37.533 38.487 -0.029 0.000 1.137 101 N HN 0.266 nan 8.380 nan 0.000 0.566 102 K N -0.301 120.089 120.400 -0.017 0.000 2.446 102 K HA 0.285 4.608 4.320 0.004 0.000 0.203 102 K C -0.405 176.268 176.600 0.121 0.000 1.027 102 K CA 0.119 56.447 56.287 0.068 0.000 1.166 102 K CB 0.883 33.418 32.500 0.057 0.000 0.869 102 K HN -0.028 nan 8.250 nan 0.000 0.504 103 V N 0.889 120.854 119.914 0.086 0.000 2.588 103 V HA 0.661 4.784 4.120 0.004 0.000 0.304 103 V C -0.717 175.455 176.094 0.130 0.000 1.042 103 V CA -1.041 61.323 62.300 0.108 0.000 0.877 103 V CB 1.656 33.524 31.823 0.076 0.000 0.996 103 V HN 0.155 nan 8.190 nan 0.000 0.425 104 A N 3.834 126.759 122.820 0.174 0.000 2.469 104 A HA 0.990 5.312 4.320 0.004 0.000 0.299 104 A C -0.761 177.002 177.584 0.298 0.000 1.098 104 A CA -0.600 51.590 52.037 0.254 0.000 0.737 104 A CB 2.229 21.455 19.000 0.378 0.000 1.312 104 A HN 1.522 nan 8.150 nan 0.000 0.414 105 V N -0.727 119.405 119.914 0.364 0.000 2.815 105 V HA 0.869 4.992 4.120 0.004 0.000 0.314 105 V C -0.668 175.760 176.094 0.557 0.000 1.064 105 V CA -0.788 61.760 62.300 0.414 0.000 0.952 105 V CB 1.518 33.544 31.823 0.337 0.000 1.020 105 V HN 1.040 nan 8.190 nan 0.000 0.439 106 L N 4.258 125.764 121.223 0.473 0.000 2.406 106 L HA 0.624 4.966 4.340 0.004 0.000 0.270 106 L C -1.032 175.936 176.870 0.162 0.000 0.982 106 L CA -0.761 54.329 54.840 0.417 0.000 0.843 106 L CB 1.510 43.761 42.059 0.321 0.000 1.225 106 L HN 0.874 nan 8.230 nan 0.000 0.412 107 L N 5.656 126.949 121.223 0.117 0.000 2.326 107 L HA 0.456 4.798 4.340 0.004 0.000 0.278 107 L C -0.998 175.753 176.870 -0.199 0.000 1.092 107 L CA 0.143 54.795 54.840 -0.313 0.000 0.810 107 L CB 1.190 43.265 42.059 0.027 0.000 1.153 107 L HN 0.536 nan 8.230 nan 0.000 0.439 108 L N 6.535 127.601 121.223 -0.262 0.000 2.259 108 L HA 0.553 4.895 4.340 0.004 0.000 0.288 108 L C 0.557 177.355 176.870 -0.120 0.000 1.051 108 L CA -0.068 54.681 54.840 -0.153 0.000 0.824 108 L CB 1.002 42.991 42.059 -0.116 0.000 1.206 108 L HN 0.881 nan 8.230 nan 0.000 0.429 109 A N 2.100 124.864 122.820 -0.094 0.000 2.594 109 A HA 0.393 4.715 4.320 0.004 0.000 0.292 109 A C 1.345 178.906 177.584 -0.038 0.000 1.026 109 A CA 0.167 52.189 52.037 -0.026 0.000 0.983 109 A CB 0.270 19.330 19.000 0.100 0.000 1.233 109 A HN 0.758 nan 8.150 nan 0.000 0.519 110 G N -0.008 108.747 108.800 -0.074 0.000 2.880 110 G HA2 0.357 4.320 3.960 0.004 0.000 0.209 110 G HA3 0.357 4.320 3.960 0.004 0.000 0.209 110 G C 0.818 175.695 174.900 -0.038 0.000 1.157 110 G CA 0.597 45.657 45.100 -0.066 0.000 0.779 110 G HN 0.732 nan 8.290 nan 0.000 0.539 111 G N -0.514 108.266 108.800 -0.034 0.000 2.483 111 G HA2 0.451 4.413 3.960 0.004 0.000 0.248 111 G HA3 0.451 4.413 3.960 0.004 0.000 0.248 111 G C -0.626 174.261 174.900 -0.022 0.000 1.248 111 G CA -0.081 45.004 45.100 -0.025 0.000 0.838 111 G HN 0.355 nan 8.290 nan 0.000 0.566 112 Q N 0.180 119.968 119.800 -0.020 0.000 2.364 112 Q HA 0.568 4.911 4.340 0.004 0.000 0.251 112 Q C -0.463 175.522 176.000 -0.025 0.000 0.927 112 Q CA -0.100 55.689 55.803 -0.023 0.000 0.924 112 Q CB 1.386 30.115 28.738 -0.015 0.000 1.419 112 Q HN 0.991 nan 8.270 nan 0.000 0.427 113 G N -0.063 108.715 108.800 -0.038 0.000 2.866 113 G HA2 0.504 4.467 3.960 0.004 0.000 0.289 113 G HA3 0.504 4.467 3.960 0.004 0.000 0.289 113 G C -0.129 174.743 174.900 -0.048 0.000 1.396 113 G CA -0.156 44.924 45.100 -0.034 0.000 0.848 113 G HN 0.712 nan 8.290 nan 0.000 0.515 114 T N -2.461 112.070 114.554 -0.038 0.000 3.092 114 T HA 0.128 4.481 4.350 0.004 0.000 0.258 114 T C 1.814 176.486 174.700 -0.047 0.000 1.031 114 T CA 0.096 62.170 62.100 -0.043 0.000 0.925 114 T CB 0.359 69.212 68.868 -0.025 0.000 1.036 114 T HN 0.380 nan 8.240 nan 0.000 0.544 115 R N 1.270 121.740 120.500 -0.051 0.000 2.083 115 R HA 0.160 4.503 4.340 0.004 0.000 0.237 115 R C 2.004 178.261 176.300 -0.072 0.000 1.137 115 R CA 1.410 57.477 56.100 -0.055 0.000 0.951 115 R CB -0.727 29.539 30.300 -0.057 0.000 0.851 115 R HN 0.441 nan 8.270 nan 0.000 0.434 116 L N -0.748 120.416 121.223 -0.098 0.000 2.478 116 L HA 0.183 4.525 4.340 0.004 0.000 0.223 116 L C 1.079 177.925 176.870 -0.041 0.000 1.140 116 L CA 0.631 55.410 54.840 -0.103 0.000 0.842 116 L CB -0.112 41.842 42.059 -0.175 0.000 0.953 116 L HN 0.689 nan 8.230 nan 0.000 0.452 117 G N 0.895 109.660 108.800 -0.057 0.000 2.137 117 G HA2 -0.227 3.736 3.960 0.004 0.000 0.237 117 G HA3 -0.227 3.736 3.960 0.004 0.000 0.237 117 G C 0.111 174.964 174.900 -0.077 0.000 1.002 117 G CA 0.213 45.286 45.100 -0.045 0.000 0.702 117 G HN 0.267 nan 8.290 nan 0.000 0.515 118 V N -3.976 115.836 119.914 -0.169 0.000 3.046 118 V HA 0.958 5.080 4.120 0.004 0.000 0.316 118 V C 0.755 176.662 176.094 -0.312 0.000 1.104 118 V CA -0.239 61.856 62.300 -0.342 0.000 1.006 118 V CB 1.781 33.097 31.823 -0.845 0.000 1.058 118 V HN 1.387 nan 8.190 nan 0.000 0.440 119 A N 1.644 124.322 122.820 -0.236 0.000 2.460 119 A HA 0.635 4.958 4.320 0.004 0.000 0.258 119 A C 0.146 177.743 177.584 0.021 0.000 1.300 119 A CA -0.021 51.977 52.037 -0.066 0.000 0.913 119 A CB -0.824 18.194 19.000 0.029 0.000 1.031 119 A HN 1.325 nan 8.150 nan 0.000 0.512 120 Y N -2.791 117.515 120.300 0.010 0.000 2.605 120 Y HA 0.764 5.316 4.550 0.005 0.000 0.343 120 Y C -2.996 172.906 175.900 0.004 0.000 1.036 120 Y CA -3.892 54.208 58.100 0.000 0.000 1.065 120 Y CB 0.461 38.910 38.460 -0.018 0.000 1.288 120 Y HN -0.076 nan 8.280 nan 0.000 0.481 121 P HA 0.083 nan 4.420 nan 0.000 0.268 121 P C -0.160 177.208 177.300 0.114 0.000 1.205 121 P CA -0.109 63.061 63.100 0.117 0.000 0.771 121 P CB 1.608 33.393 31.700 0.141 0.000 0.858 122 K N 2.302 122.703 120.400 0.002 0.000 2.127 122 K HA -0.176 4.146 4.320 0.004 0.000 0.208 122 K C 2.206 178.726 176.600 -0.133 0.000 1.047 122 K CA 2.030 58.301 56.287 -0.028 0.000 0.927 122 K CB -0.889 31.547 32.500 -0.106 0.000 0.716 122 K HN 0.677 nan 8.250 nan 0.000 0.450 123 G N 0.812 109.349 108.800 -0.440 0.000 2.499 123 G HA2 -0.249 3.713 3.960 0.004 0.000 0.221 123 G HA3 -0.249 3.713 3.960 0.004 0.000 0.221 123 G C 1.290 175.726 174.900 -0.774 0.000 1.109 123 G CA 0.729 45.081 45.100 -1.247 0.000 0.749 123 G HN 0.240 nan 8.290 nan 0.000 0.568 124 M N -0.932 118.492 119.600 -0.294 0.000 2.495 124 M HA 0.271 4.753 4.480 0.004 0.000 0.237 124 M C 0.264 176.494 176.300 -0.117 0.000 1.131 124 M CA -0.377 54.702 55.300 -0.368 0.000 1.032 124 M CB 0.331 32.575 32.600 -0.593 0.000 1.513 124 M HN 0.153 nan 8.290 nan 0.000 0.488 125 Y N 1.689 121.985 120.300 -0.007 0.000 2.511 125 Y HA -0.007 4.546 4.550 0.005 0.000 0.332 125 Y C 0.140 176.051 175.900 0.019 0.000 1.177 125 Y CA 0.093 58.247 58.100 0.090 0.000 1.422 125 Y CB 0.410 38.888 38.460 0.030 0.000 1.271 125 Y HN 0.013 nan 8.280 nan 0.000 0.550 126 D N 4.602 124.902 120.400 -0.165 0.000 2.461 126 D HA 0.137 4.779 4.640 0.004 0.000 0.240 126 D C 0.322 176.665 176.300 0.071 0.000 1.094 126 D CA -0.532 53.454 54.000 -0.024 0.000 0.868 126 D CB 0.807 41.561 40.800 -0.077 0.000 1.062 126 D HN 0.373 nan 8.370 nan 0.000 0.530 127 V N 2.046 122.080 119.914 0.200 0.000 3.444 127 V HA 0.333 4.455 4.120 0.004 0.000 0.271 127 V C 1.375 177.514 176.094 0.076 0.000 1.188 127 V CA 0.624 63.042 62.300 0.197 0.000 1.168 127 V CB -0.879 31.002 31.823 0.096 0.000 0.810 127 V HN 0.818 nan 8.190 nan 0.000 0.500 128 G N -0.080 108.740 108.800 0.033 0.000 2.130 128 G HA2 -0.195 3.767 3.960 0.004 0.000 0.216 128 G HA3 -0.195 3.767 3.960 0.004 0.000 0.216 128 G C -0.137 174.742 174.900 -0.034 0.000 0.999 128 G CA 0.090 45.190 45.100 -0.001 0.000 0.686 128 G HN 0.560 nan 8.290 nan 0.000 0.515 129 L N -0.389 120.815 121.223 -0.032 0.000 2.482 129 L HA 0.170 4.513 4.340 0.004 0.000 0.273 129 L C -0.224 176.629 176.870 -0.029 0.000 1.228 129 L CA -1.356 53.452 54.840 -0.053 0.000 0.827 129 L CB 0.445 42.479 42.059 -0.041 0.000 1.099 129 L HN -0.069 nan 8.230 nan 0.000 0.494 130 P HA -0.185 nan 4.420 nan 0.000 0.216 130 P C 1.477 178.787 177.300 0.017 0.000 1.153 130 P CA 1.504 64.602 63.100 -0.003 0.000 0.858 130 P CB 0.150 31.855 31.700 0.009 0.000 0.789 131 S N -1.939 113.777 115.700 0.026 0.000 2.489 131 S HA -0.014 4.458 4.470 0.004 0.000 0.228 131 S C 1.001 175.623 174.600 0.038 0.000 0.995 131 S CA 0.192 58.416 58.200 0.040 0.000 0.934 131 S CB -0.615 62.618 63.200 0.055 0.000 0.771 131 S HN -0.066 nan 8.310 nan 0.000 0.522 132 R N 0.021 120.536 120.500 0.026 0.000 3.954 132 R HA -0.106 4.236 4.340 0.004 0.000 0.422 132 R C -0.595 175.733 176.300 0.048 0.000 1.091 132 R CA 1.103 57.221 56.100 0.030 0.000 1.168 132 R CB -2.546 27.773 30.300 0.032 0.000 1.752 132 R HN 0.597 nan 8.270 nan 0.000 0.547 133 K N 1.596 122.026 120.400 0.051 0.000 2.469 133 K HA 0.071 4.394 4.320 0.004 0.000 0.274 133 K C 1.175 177.809 176.600 0.057 0.000 0.983 133 K CA 1.025 57.349 56.287 0.062 0.000 0.974 133 K CB 0.374 32.903 32.500 0.049 0.000 0.913 133 K HN 0.292 nan 8.250 nan 0.000 0.493 134 T N -1.081 113.522 114.554 0.081 0.000 2.881 134 T HA 0.214 4.567 4.350 0.004 0.000 0.278 134 T C 1.571 176.287 174.700 0.028 0.000 0.982 134 T CA -0.835 61.309 62.100 0.073 0.000 0.989 134 T CB 0.516 69.468 68.868 0.140 0.000 1.058 134 T HN 0.455 nan 8.240 nan 0.000 0.529 135 L N -0.613 120.602 121.223 -0.014 0.000 2.042 135 L HA -0.030 4.312 4.340 0.004 0.000 0.210 135 L C 2.555 179.436 176.870 0.019 0.000 1.076 135 L CA 1.400 56.217 54.840 -0.038 0.000 0.749 135 L CB -0.828 41.163 42.059 -0.113 0.000 0.893 135 L HN 0.525 nan 8.230 nan 0.000 0.432 136 F N 0.483 120.460 119.950 0.044 0.000 2.095 136 F HA -0.268 4.262 4.527 0.004 0.000 0.298 136 F C 2.870 178.426 175.800 -0.406 0.000 1.104 136 F CA 1.648 59.655 58.000 0.012 0.000 1.232 136 F CB -0.802 38.220 39.000 0.037 0.000 0.987 136 F HN 0.136 nan 8.300 nan 0.000 0.475 137 Q N 0.336 119.867 119.800 -0.447 0.000 2.079 137 Q HA -0.177 4.166 4.340 0.004 0.000 0.200 137 Q C 2.308 178.176 176.000 -0.220 0.000 0.974 137 Q CA 1.712 57.106 55.803 -0.682 0.000 0.840 137 Q CB -0.237 28.322 28.738 -0.298 0.000 0.898 137 Q HN 0.425 nan 8.270 nan 0.000 0.430 138 I N 0.661 121.184 120.570 -0.078 0.000 2.208 138 I HA -0.340 3.833 4.170 0.004 0.000 0.245 138 I C 2.386 178.492 176.117 -0.019 0.000 1.097 138 I CA 1.430 62.720 61.300 -0.017 0.000 1.363 138 I CB -0.332 37.670 38.000 0.005 0.000 1.051 138 I HN 0.317 nan 8.210 nan 0.000 0.413 139 Q N 0.699 120.504 119.800 0.008 0.000 2.119 139 Q HA -0.137 4.205 4.340 0.004 0.000 0.201 139 Q C 2.510 178.369 176.000 -0.235 0.000 0.972 139 Q CA 1.570 57.351 55.803 -0.037 0.000 0.847 139 Q CB -0.296 28.557 28.738 0.192 0.000 0.903 139 Q HN 0.583 nan 8.270 nan 0.000 0.433 140 A N 1.619 124.337 122.820 -0.170 0.000 1.902 140 A HA -0.222 4.101 4.320 0.004 0.000 0.217 140 A C 1.827 179.378 177.584 -0.055 0.000 1.181 140 A CA 1.474 53.423 52.037 -0.148 0.000 0.623 140 A CB -0.378 18.695 19.000 0.122 0.000 0.818 140 A HN 0.325 nan 8.150 nan 0.000 0.443 141 E N -0.595 119.594 120.200 -0.018 0.000 2.204 141 E HA -0.145 4.208 4.350 0.004 0.000 0.194 141 E C 2.217 178.841 176.600 0.040 0.000 0.989 141 E CA 0.775 57.196 56.400 0.035 0.000 0.824 141 E CB -0.124 29.606 29.700 0.051 0.000 0.756 141 E HN 0.524 nan 8.360 nan 0.000 0.477 142 R N 0.269 120.784 120.500 0.026 0.000 2.115 142 R HA -0.037 4.305 4.340 0.004 0.000 0.226 142 R C 2.251 178.594 176.300 0.072 0.000 1.100 142 R CA 0.804 56.984 56.100 0.133 0.000 0.980 142 R CB -0.105 30.275 30.300 0.134 0.000 0.875 142 R HN 0.190 nan 8.270 nan 0.000 0.445 143 I N 0.653 121.181 120.570 -0.069 0.000 2.202 143 I HA -0.284 3.889 4.170 0.004 0.000 0.242 143 I C 2.156 178.249 176.117 -0.040 0.000 1.091 143 I CA 1.222 62.458 61.300 -0.108 0.000 1.368 143 I CB -0.200 37.664 38.000 -0.226 0.000 1.058 143 I HN 0.129 nan 8.210 nan 0.000 0.410 144 L N 0.574 121.798 121.223 0.001 0.000 2.012 144 L HA -0.270 4.073 4.340 0.004 0.000 0.210 144 L C 2.625 179.503 176.870 0.015 0.000 1.073 144 L CA 1.394 56.254 54.840 0.032 0.000 0.748 144 L CB -0.526 41.573 42.059 0.066 0.000 0.891 144 L HN 0.181 nan 8.230 nan 0.000 0.431 145 K N 0.718 121.131 120.400 0.021 0.000 2.009 145 K HA -0.184 4.138 4.320 0.004 0.000 0.210 145 K C 1.929 178.483 176.600 -0.078 0.000 1.049 145 K CA 1.736 58.027 56.287 0.007 0.000 0.929 145 K CB -0.533 32.016 32.500 0.081 0.000 0.714 145 K HN 0.181 nan 8.250 nan 0.000 0.440 146 L N 0.414 121.544 121.223 -0.156 0.000 2.191 146 L HA -0.194 4.148 4.340 0.004 0.000 0.212 146 L C 2.587 179.380 176.870 -0.128 0.000 1.103 146 L CA 1.252 55.946 54.840 -0.244 0.000 0.769 146 L CB -0.350 41.511 42.059 -0.330 0.000 0.908 146 L HN 0.370 nan 8.230 nan 0.000 0.438 147 Q N -0.615 119.145 119.800 -0.067 0.000 2.049 147 Q HA -0.249 4.093 4.340 0.004 0.000 0.198 147 Q C 2.250 178.245 176.000 -0.008 0.000 0.971 147 Q CA 1.443 57.231 55.803 -0.026 0.000 0.833 147 Q CB -0.137 28.601 28.738 -0.000 0.000 0.896 147 Q HN 0.469 nan 8.270 nan 0.000 0.434 148 Q N 0.606 120.403 119.800 -0.005 0.000 2.061 148 Q HA -0.173 4.169 4.340 0.004 0.000 0.204 148 Q C 2.031 178.035 176.000 0.008 0.000 0.984 148 Q CA 1.718 57.529 55.803 0.014 0.000 0.846 148 Q CB 0.017 28.767 28.738 0.020 0.000 0.902 148 Q HN 0.259 nan 8.270 nan 0.000 0.421 149 V N 1.292 121.175 119.914 -0.050 0.000 2.427 149 V HA -0.225 3.897 4.120 0.004 0.000 0.248 149 V C 2.498 178.540 176.094 -0.086 0.000 1.051 149 V CA 1.701 63.933 62.300 -0.115 0.000 1.048 149 V CB -1.044 30.623 31.823 -0.260 0.000 0.666 149 V HN 0.505 nan 8.190 nan 0.000 0.456 150 A N -0.505 122.296 122.820 -0.032 0.000 1.898 150 A HA -0.235 4.087 4.320 0.004 0.000 0.216 150 A C 2.284 179.999 177.584 0.217 0.000 1.181 150 A CA 1.748 53.855 52.037 0.116 0.000 0.620 150 A CB -0.476 18.552 19.000 0.047 0.000 0.819 150 A HN 0.587 nan 8.150 nan 0.000 0.442 151 E N -0.028 120.246 120.200 0.124 0.000 2.110 151 E HA -0.208 4.144 4.350 0.004 0.000 0.193 151 E C 1.807 178.495 176.600 0.146 0.000 0.988 151 E CA 1.383 57.858 56.400 0.125 0.000 0.804 151 E CB -0.057 29.689 29.700 0.077 0.000 0.745 151 E HN 0.629 nan 8.360 nan 0.000 0.458 152 K N -0.825 119.670 120.400 0.158 0.000 2.243 152 K HA -0.078 4.245 4.320 0.004 0.000 0.201 152 K C 1.689 178.406 176.600 0.195 0.000 1.051 152 K CA 0.634 57.019 56.287 0.163 0.000 0.970 152 K CB 0.063 32.668 32.500 0.176 0.000 0.755 152 K HN 0.161 nan 8.250 nan 0.000 0.465 153 Y N -1.048 119.225 120.300 -0.044 0.000 2.475 153 Y HA -0.046 4.507 4.550 0.004 0.000 0.289 153 Y C 0.721 176.313 175.900 -0.514 0.000 1.121 153 Y CA 0.625 58.566 58.100 -0.266 0.000 1.257 153 Y CB 0.348 38.633 38.460 -0.291 0.000 1.026 153 Y HN 0.044 nan 8.280 nan 0.000 0.555 154 Y N -1.771 118.643 120.300 0.189 0.000 2.672 154 Y HA 0.399 4.951 4.550 0.004 0.000 0.252 154 Y C 1.330 177.284 175.900 0.089 0.000 1.132 154 Y CA -0.401 57.782 58.100 0.139 0.000 1.228 154 Y CB 0.583 39.142 38.460 0.166 0.000 1.310 154 Y HN -0.071 nan 8.280 nan 0.000 0.549 155 G N 2.846 111.750 108.800 0.174 0.000 2.354 155 G HA2 -0.291 3.671 3.960 0.004 0.000 0.278 155 G HA3 -0.291 3.671 3.960 0.004 0.000 0.278 155 G C -0.440 174.526 174.900 0.110 0.000 0.953 155 G CA 0.646 45.815 45.100 0.114 0.000 1.346 155 G HN 0.771 nan 8.290 nan 0.000 0.467 156 N N -1.433 117.329 118.700 0.104 0.000 4.251 156 N HA 0.156 4.898 4.740 0.004 0.000 0.189 156 N C -0.572 174.972 175.510 0.057 0.000 1.037 156 N CA -1.109 51.984 53.050 0.072 0.000 1.139 156 N CB 1.021 39.547 38.487 0.065 0.000 1.614 156 N HN 0.315 nan 8.380 nan 0.000 0.802 157 K N 2.169 122.594 120.400 0.041 0.000 2.382 157 K HA 0.190 4.513 4.320 0.004 0.000 0.286 157 K C 0.064 176.676 176.600 0.021 0.000 1.062 157 K CA -0.321 55.985 56.287 0.033 0.000 1.000 157 K CB -0.124 32.394 32.500 0.029 0.000 0.954 157 K HN 0.642 nan 8.250 nan 0.000 0.470 158 C N 3.370 122.680 119.300 0.016 0.000 2.423 158 C HA 0.762 5.225 4.460 0.004 0.000 0.378 158 C C -0.404 174.589 174.990 0.005 0.000 1.244 158 C CA -1.196 57.821 59.018 -0.002 0.000 1.978 158 C CB 0.406 28.133 27.740 -0.023 0.000 2.252 158 C HN 0.601 nan 8.230 nan 0.000 0.526 159 I N 0.995 121.567 120.570 0.003 0.000 2.686 159 I HA 0.496 4.668 4.170 0.004 0.000 0.295 159 I C -0.613 175.518 176.117 0.023 0.000 1.114 159 I CA -1.072 60.238 61.300 0.017 0.000 1.038 159 I CB 1.751 39.763 38.000 0.020 0.000 1.238 159 I HN 0.728 nan 8.210 nan 0.000 0.420 160 I N 6.645 127.236 120.570 0.036 0.000 2.466 160 I HA 0.249 4.422 4.170 0.004 0.000 0.279 160 I C -2.261 173.905 176.117 0.082 0.000 1.033 160 I CA -1.628 59.705 61.300 0.054 0.000 1.123 160 I CB 2.009 40.027 38.000 0.030 0.000 1.237 160 I HN 0.233 nan 8.210 nan 0.000 0.460 161 P HA -0.073 nan 4.420 nan 0.000 0.268 161 P C -1.116 176.249 177.300 0.108 0.000 1.205 161 P CA -0.037 63.066 63.100 0.005 0.000 0.771 161 P CB 0.825 32.460 31.700 -0.109 0.000 0.858 162 W N 5.145 126.348 121.300 -0.161 0.000 2.363 162 W HA 0.340 5.002 4.660 0.003 0.000 0.314 162 W C -1.391 175.040 176.519 -0.147 0.000 0.994 162 W CA -1.369 55.960 57.345 -0.026 0.000 1.449 162 W CB -0.366 29.143 29.460 0.082 0.000 1.248 162 W HN 0.279 nan 8.180 nan 0.000 0.409 163 Y N 5.765 126.265 120.300 0.333 0.000 2.336 163 Y HA 0.378 4.931 4.550 0.004 0.000 0.335 163 Y C 0.644 176.594 175.900 0.083 0.000 1.046 163 Y CA -0.091 58.134 58.100 0.209 0.000 1.198 163 Y CB 0.815 39.484 38.460 0.348 0.000 1.182 163 Y HN 0.054 nan 8.280 nan 0.000 0.502 164 I N 5.139 125.680 120.570 -0.049 0.000 2.411 164 I HA 0.260 4.432 4.170 0.004 0.000 0.284 164 I C -0.529 175.336 176.117 -0.419 0.000 1.012 164 I CA -0.617 60.543 61.300 -0.233 0.000 1.119 164 I CB 1.377 39.100 38.000 -0.461 0.000 1.261 164 I HN 0.564 nan 8.210 nan 0.000 0.448 165 M N 7.341 126.597 119.600 -0.572 0.000 2.120 165 M HA 0.305 4.787 4.480 0.004 0.000 0.354 165 M C 0.048 176.104 176.300 -0.406 0.000 1.287 165 M CA 0.144 54.900 55.300 -0.907 0.000 1.103 165 M CB 0.740 32.910 32.600 -0.716 0.000 1.623 165 M HN 0.753 nan 8.290 nan 0.000 0.471 166 T N 1.389 115.737 114.554 -0.344 0.000 2.883 166 T HA 0.820 5.172 4.350 0.004 0.000 0.284 166 T C -0.213 174.404 174.700 -0.137 0.000 1.041 166 T CA -0.567 61.429 62.100 -0.173 0.000 1.007 166 T CB 1.646 70.427 68.868 -0.146 0.000 1.220 166 T HN 0.723 nan 8.240 nan 0.000 0.552 167 S N -1.157 114.492 115.700 -0.085 0.000 2.715 167 S HA 0.658 5.131 4.470 0.004 0.000 0.307 167 S C 1.435 176.007 174.600 -0.047 0.000 1.119 167 S CA -0.380 57.787 58.200 -0.055 0.000 0.937 167 S CB 0.960 64.138 63.200 -0.038 0.000 1.150 167 S HN 1.256 nan 8.310 nan 0.000 0.521 168 G N -0.167 108.615 108.800 -0.031 0.000 2.559 168 G HA2 -0.053 3.909 3.960 0.004 0.000 0.216 168 G HA3 -0.053 3.909 3.960 0.004 0.000 0.216 168 G C 1.129 176.014 174.900 -0.025 0.000 1.126 168 G CA 0.058 45.141 45.100 -0.027 0.000 0.778 168 G HN 0.734 nan 8.290 nan 0.000 0.543 169 R N -0.513 119.974 120.500 -0.022 0.000 2.300 169 R HA 0.139 4.481 4.340 0.004 0.000 0.199 169 R C 2.060 178.353 176.300 -0.011 0.000 0.920 169 R CA 1.221 57.313 56.100 -0.014 0.000 1.046 169 R CB 0.333 30.626 30.300 -0.011 0.000 0.984 169 R HN 0.427 nan 8.270 nan 0.000 0.493 170 T N -4.171 110.369 114.554 -0.024 0.000 2.993 170 T HA 0.091 4.443 4.350 0.004 0.000 0.260 170 T C 1.478 176.141 174.700 -0.062 0.000 0.939 170 T CA -0.287 61.804 62.100 -0.016 0.000 0.886 170 T CB 0.055 68.926 68.868 0.004 0.000 1.209 170 T HN -0.090 nan 8.240 nan 0.000 0.518 171 M N 2.477 122.021 119.600 -0.094 0.000 2.226 171 M HA -0.129 4.353 4.480 0.004 0.000 0.257 171 M C 2.083 178.260 176.300 -0.207 0.000 1.070 171 M CA 2.392 57.593 55.300 -0.164 0.000 1.087 171 M CB -0.634 31.893 32.600 -0.121 0.000 1.278 171 M HN 0.264 nan 8.290 nan 0.000 0.426 172 E N -0.354 119.769 120.200 -0.128 0.000 2.031 172 E HA -0.130 4.222 4.350 0.004 0.000 0.193 172 E C 1.967 178.510 176.600 -0.096 0.000 0.994 172 E CA 2.129 58.460 56.400 -0.114 0.000 0.800 172 E CB -0.626 29.038 29.700 -0.060 0.000 0.752 172 E HN 0.631 nan 8.360 nan 0.000 0.447 173 S N -0.353 115.323 115.700 -0.042 0.000 2.365 173 S HA -0.210 4.263 4.470 0.004 0.000 0.225 173 S C 2.038 176.647 174.600 0.016 0.000 1.039 173 S CA 1.741 59.950 58.200 0.015 0.000 1.033 173 S CB -0.802 62.432 63.200 0.057 0.000 0.887 173 S HN 0.403 nan 8.310 nan 0.000 0.447 174 T N 1.972 116.487 114.554 -0.066 0.000 2.595 174 T HA -0.159 4.194 4.350 0.004 0.000 0.264 174 T C 1.849 176.382 174.700 -0.279 0.000 1.058 174 T CA 1.498 63.517 62.100 -0.136 0.000 1.166 174 T CB -0.339 68.357 68.868 -0.287 0.000 0.863 174 T HN 0.375 nan 8.240 nan 0.000 0.415 175 K N 0.838 120.872 120.400 -0.610 0.000 2.059 175 K HA -0.226 4.097 4.320 0.004 0.000 0.212 175 K C 2.333 178.803 176.600 -0.217 0.000 1.050 175 K CA 1.846 57.727 56.287 -0.677 0.000 0.927 175 K CB -0.140 31.998 32.500 -0.603 0.000 0.714 175 K HN 0.452 nan 8.250 nan 0.000 0.447 176 E N -0.425 119.714 120.200 -0.103 0.000 2.038 176 E HA -0.221 4.131 4.350 0.004 0.000 0.195 176 E C 1.899 178.530 176.600 0.052 0.000 1.000 176 E CA 1.516 57.908 56.400 -0.013 0.000 0.803 176 E CB -0.254 29.454 29.700 0.015 0.000 0.750 176 E HN 0.279 nan 8.360 nan 0.000 0.448 177 F N 0.634 120.579 119.950 -0.008 0.000 2.065 177 F HA -0.262 4.267 4.527 0.004 0.000 0.298 177 F C 1.938 177.753 175.800 0.025 0.000 1.112 177 F CA 1.483 59.531 58.000 0.080 0.000 1.212 177 F CB -0.315 38.783 39.000 0.165 0.000 0.975 177 F HN -0.052 nan 8.300 nan 0.000 0.476 178 F N 0.443 120.276 119.950 -0.194 0.000 2.095 178 F HA -0.212 4.318 4.527 0.005 0.000 0.298 178 F C 2.647 178.044 175.800 -0.671 0.000 1.104 178 F CA 2.045 59.719 58.000 -0.544 0.000 1.232 178 F CB -1.441 37.197 39.000 -0.602 0.000 0.987 178 F HN -0.123 nan 8.300 nan 0.000 0.475 179 T N -0.201 114.209 114.554 -0.240 0.000 2.684 179 T HA -0.280 4.073 4.350 0.004 0.000 0.267 179 T C 2.023 176.633 174.700 -0.151 0.000 1.036 179 T CA 1.744 63.802 62.100 -0.070 0.000 1.148 179 T CB -0.337 68.549 68.868 0.030 0.000 0.863 179 T HN 0.185 nan 8.240 nan 0.000 0.436 180 K N 0.524 120.783 120.400 -0.235 0.000 2.020 180 K HA -0.186 4.136 4.320 0.004 0.000 0.212 180 K C 1.661 177.942 176.600 -0.532 0.000 1.050 180 K CA 1.553 57.629 56.287 -0.352 0.000 0.929 180 K CB -0.186 32.077 32.500 -0.396 0.000 0.714 180 K HN 0.484 nan 8.250 nan 0.000 0.443 181 H N 0.769 119.442 119.070 -0.660 0.000 2.592 181 H HA 0.098 4.657 4.556 0.004 0.000 0.291 181 H C -0.250 174.733 175.328 -0.575 0.000 1.052 181 H CA 0.339 55.929 56.048 -0.763 0.000 1.175 181 H CB 0.185 29.078 29.762 -1.448 0.000 1.378 181 H HN 0.232 nan 8.280 nan 0.000 0.576 182 K N 0.110 120.366 120.400 -0.240 0.000 3.071 182 K HA -0.272 4.050 4.320 0.004 0.000 0.262 182 K C -0.760 175.943 176.600 0.172 0.000 0.977 182 K CA 0.532 56.832 56.287 0.023 0.000 0.721 182 K CB -1.871 30.629 32.500 0.001 0.000 1.293 182 K HN 0.464 nan 8.250 nan 0.000 0.475 183 Y N -2.440 117.734 120.300 -0.211 0.000 3.929 183 Y HA -0.298 4.254 4.550 0.004 0.000 0.225 183 Y C 0.443 176.396 175.900 0.088 0.000 1.200 183 Y CA 1.280 59.370 58.100 -0.016 0.000 1.791 183 Y CB -2.988 35.586 38.460 0.190 0.000 1.561 183 Y HN 0.419 nan 8.280 nan 0.000 0.657 184 F N -1.720 118.265 119.950 0.058 0.000 3.105 184 F HA -0.240 4.290 4.527 0.004 0.000 0.280 184 F C 1.653 177.520 175.800 0.112 0.000 0.894 184 F CA 1.851 59.883 58.000 0.054 0.000 0.992 184 F CB -1.482 37.521 39.000 0.006 0.000 1.047 184 F HN 0.628 nan 8.300 nan 0.000 0.607 185 G N -1.377 107.565 108.800 0.237 0.000 2.213 185 G HA2 -0.275 3.687 3.960 0.004 0.000 0.226 185 G HA3 -0.275 3.687 3.960 0.004 0.000 0.226 185 G C 0.229 175.249 174.900 0.200 0.000 0.992 185 G CA -0.111 45.103 45.100 0.190 0.000 0.632 185 G HN 0.432 nan 8.290 nan 0.000 0.511 186 L N 0.832 122.228 121.223 0.290 0.000 2.468 186 L HA 0.474 4.817 4.340 0.004 0.000 0.254 186 L C 0.798 177.779 176.870 0.185 0.000 1.171 186 L CA -0.691 54.309 54.840 0.267 0.000 0.809 186 L CB 0.610 42.915 42.059 0.409 0.000 1.155 186 L HN 0.002 nan 8.230 nan 0.000 0.473 187 K N 1.366 121.823 120.400 0.095 0.000 2.258 187 K HA 0.094 4.417 4.320 0.004 0.000 0.284 187 K C 0.551 177.051 176.600 -0.167 0.000 1.051 187 K CA -0.413 55.854 56.287 -0.033 0.000 0.923 187 K CB 1.560 34.048 32.500 -0.021 0.000 1.046 187 K HN 0.435 nan 8.250 nan 0.000 0.474 188 K N 2.707 122.825 120.400 -0.469 0.000 2.059 188 K HA -0.265 4.058 4.320 0.004 0.000 0.212 188 K C 0.703 177.105 176.600 -0.330 0.000 1.050 188 K CA 2.097 57.889 56.287 -0.825 0.000 0.927 188 K CB 0.173 32.214 32.500 -0.766 0.000 0.714 188 K HN 0.491 nan 8.250 nan 0.000 0.447 189 E N 0.477 120.562 120.200 -0.193 0.000 2.401 189 E HA -0.107 4.246 4.350 0.004 0.000 0.199 189 E C 0.938 177.484 176.600 -0.090 0.000 1.023 189 E CA 0.824 57.161 56.400 -0.106 0.000 0.859 189 E CB -0.046 29.613 29.700 -0.069 0.000 0.780 189 E HN 0.365 nan 8.360 nan 0.000 0.523 190 N N -0.012 118.641 118.700 -0.079 0.000 2.230 190 N HA 0.057 4.799 4.740 0.004 0.000 0.202 190 N C -0.789 174.683 175.510 -0.062 0.000 1.119 190 N CA 0.150 53.168 53.050 -0.055 0.000 0.851 190 N CB 1.364 39.857 38.487 0.010 0.000 0.990 190 N HN -0.038 nan 8.380 nan 0.000 0.497 191 V N 2.371 122.229 119.914 -0.094 0.000 2.325 191 V HA 0.383 4.505 4.120 0.004 0.000 0.280 191 V C -0.437 175.400 176.094 -0.428 0.000 1.016 191 V CA -0.680 61.502 62.300 -0.196 0.000 0.818 191 V CB 1.050 32.859 31.823 -0.023 0.000 1.019 191 V HN -0.068 nan 8.190 nan 0.000 0.434 192 I N 5.521 125.820 120.570 -0.450 0.000 2.306 192 I HA 0.417 4.589 4.170 0.004 0.000 0.288 192 I C -0.094 175.936 176.117 -0.146 0.000 1.036 192 I CA 0.083 61.229 61.300 -0.256 0.000 1.221 192 I CB 0.401 38.343 38.000 -0.097 0.000 1.385 192 I HN 0.306 nan 8.210 nan 0.000 0.472 193 F N 6.961 126.926 119.950 0.025 0.000 2.399 193 F HA 0.567 5.096 4.527 0.004 0.000 0.342 193 F C 0.094 175.989 175.800 0.159 0.000 1.106 193 F CA -0.341 57.636 58.000 -0.038 0.000 1.196 193 F CB 0.754 39.665 39.000 -0.148 0.000 1.163 193 F HN 0.367 nan 8.300 nan 0.000 0.547 194 F N 0.005 120.059 119.950 0.173 0.000 2.623 194 F HA 0.408 4.938 4.527 0.004 0.000 0.323 194 F C -1.271 174.565 175.800 0.061 0.000 1.158 194 F CA -1.206 56.855 58.000 0.101 0.000 1.030 194 F CB 0.799 39.852 39.000 0.089 0.000 1.280 194 F HN 0.398 nan 8.300 nan 0.000 0.474 195 Q N 3.401 123.268 119.800 0.112 0.000 2.340 195 Q HA 0.289 4.632 4.340 0.004 0.000 0.249 195 Q C -0.605 175.442 176.000 0.078 0.000 0.957 195 Q CA -0.701 55.110 55.803 0.014 0.000 0.882 195 Q CB 1.692 30.444 28.738 0.024 0.000 1.235 195 Q HN 0.849 nan 8.270 nan 0.000 0.439 196 Q N 0.185 119.987 119.800 0.004 0.000 2.226 196 Q HA 0.612 4.954 4.340 0.004 0.000 0.256 196 Q C 0.116 176.135 176.000 0.031 0.000 0.962 196 Q CA -0.876 54.950 55.803 0.039 0.000 0.887 196 Q CB 1.016 29.749 28.738 -0.009 0.000 1.282 196 Q HN 0.661 nan 8.270 nan 0.000 0.449 197 G N 1.151 109.978 108.800 0.045 0.000 2.744 197 G HA2 0.286 4.248 3.960 0.004 0.000 0.257 197 G HA3 0.286 4.248 3.960 0.004 0.000 0.257 197 G C -0.829 174.087 174.900 0.026 0.000 1.244 197 G CA -0.437 44.686 45.100 0.039 0.000 0.916 197 G HN 0.668 nan 8.290 nan 0.000 0.564 198 M N -1.123 118.491 119.600 0.024 0.000 2.631 198 M HA 0.689 5.172 4.480 0.004 0.000 0.288 198 M C -1.229 175.082 176.300 0.018 0.000 1.260 198 M CA -0.519 54.789 55.300 0.014 0.000 0.842 198 M CB 2.356 34.956 32.600 0.001 0.000 1.743 198 M HN 0.363 nan 8.290 nan 0.000 0.461 199 L N 2.927 124.157 121.223 0.012 0.000 2.409 199 L HA 0.725 5.067 4.340 0.004 0.000 0.262 199 L C -2.446 174.421 176.870 -0.004 0.000 0.992 199 L CA -1.747 53.098 54.840 0.009 0.000 0.817 199 L CB 2.721 44.784 42.059 0.007 0.000 1.350 199 L HN 0.499 nan 8.230 nan 0.000 0.411 200 P HA 0.275 nan 4.420 nan 0.000 0.281 200 P C -1.023 176.275 177.300 -0.004 0.000 1.249 200 P CA -0.398 62.697 63.100 -0.009 0.000 0.810 200 P CB 1.714 33.405 31.700 -0.014 0.000 1.008 201 A N 3.498 126.314 122.820 -0.007 0.000 2.332 201 A HA 0.645 4.967 4.320 0.004 0.000 0.258 201 A C 0.174 177.740 177.584 -0.030 0.000 1.087 201 A CA -0.197 51.828 52.037 -0.019 0.000 0.802 201 A CB -0.044 18.943 19.000 -0.021 0.000 1.042 201 A HN 0.588 nan 8.150 nan 0.000 0.489 202 M N 1.015 120.579 119.600 -0.060 0.000 2.470 202 M HA 0.305 4.787 4.480 0.004 0.000 0.285 202 M C 0.107 176.292 176.300 -0.191 0.000 1.213 202 M CA -0.481 54.750 55.300 -0.115 0.000 0.901 202 M CB 2.581 35.105 32.600 -0.126 0.000 1.718 202 M HN 0.866 nan 8.290 nan 0.000 0.469 203 S N 0.311 115.874 115.700 -0.229 0.000 2.624 203 S HA 0.410 4.883 4.470 0.004 0.000 0.263 203 S C 0.600 175.074 174.600 -0.209 0.000 1.287 203 S CA -0.435 57.607 58.200 -0.264 0.000 0.990 203 S CB 0.367 63.475 63.200 -0.153 0.000 0.950 203 S HN 0.581 nan 8.310 nan 0.000 0.561 204 F N 1.272 121.253 119.950 0.051 0.000 2.269 204 F HA -0.043 4.487 4.527 0.004 0.000 0.301 204 F C 2.052 177.959 175.800 0.178 0.000 1.082 204 F CA 1.455 59.544 58.000 0.148 0.000 1.360 204 F CB -0.780 38.256 39.000 0.059 0.000 1.041 204 F HN 0.722 nan 8.300 nan 0.000 0.512 205 D N -1.386 119.110 120.400 0.160 0.000 2.363 205 D HA 0.169 4.811 4.640 0.004 0.000 0.220 205 D C 1.678 177.877 176.300 -0.168 0.000 0.994 205 D CA 0.840 54.868 54.000 0.046 0.000 0.890 205 D CB -0.113 40.680 40.800 -0.011 0.000 0.906 205 D HN 0.258 nan 8.370 nan 0.000 0.530 206 G N -0.320 108.164 108.800 -0.526 0.000 2.134 206 G HA2 -0.237 3.725 3.960 0.004 0.000 0.209 206 G HA3 -0.237 3.725 3.960 0.004 0.000 0.209 206 G C -0.225 174.287 174.900 -0.647 0.000 0.993 206 G CA -0.399 43.946 45.100 -1.259 0.000 0.669 206 G HN 0.210 nan 8.290 nan 0.000 0.519 207 K N 0.563 120.731 120.400 -0.386 0.000 2.213 207 K HA 0.638 4.960 4.320 0.004 0.000 0.270 207 K C 0.935 177.528 176.600 -0.012 0.000 1.002 207 K CA -0.906 55.255 56.287 -0.209 0.000 0.868 207 K CB 0.913 33.180 32.500 -0.388 0.000 1.093 207 K HN 0.293 nan 8.250 nan 0.000 0.454 208 I N 4.884 125.546 120.570 0.154 0.000 2.752 208 I HA -0.073 4.099 4.170 0.004 0.000 0.286 208 I C 0.344 176.556 176.117 0.158 0.000 1.180 208 I CA 0.374 61.748 61.300 0.123 0.000 1.404 208 I CB -0.017 38.067 38.000 0.140 0.000 1.389 208 I HN 0.373 nan 8.210 nan 0.000 0.549 209 I N 7.546 128.153 120.570 0.062 0.000 2.441 209 I HA 0.134 4.307 4.170 0.004 0.000 0.287 209 I C 0.116 176.261 176.117 0.047 0.000 1.049 209 I CA -0.274 61.062 61.300 0.059 0.000 1.381 209 I CB 0.609 38.613 38.000 0.007 0.000 1.409 209 I HN 0.388 nan 8.210 nan 0.000 0.523 210 L N 6.507 127.759 121.223 0.048 0.000 2.276 210 L HA 0.175 4.518 4.340 0.004 0.000 0.286 210 L C 1.397 178.268 176.870 0.002 0.000 1.061 210 L CA 0.135 54.972 54.840 -0.005 0.000 0.807 210 L CB 1.340 43.360 42.059 -0.066 0.000 1.177 210 L HN 0.693 nan 8.230 nan 0.000 0.429 211 E N 2.568 122.762 120.200 -0.010 0.000 2.016 211 E HA -0.045 4.307 4.350 0.004 0.000 0.190 211 E C 0.015 176.576 176.600 -0.064 0.000 0.985 211 E CA 0.822 57.216 56.400 -0.009 0.000 0.802 211 E CB 0.480 30.176 29.700 -0.007 0.000 0.762 211 E HN 0.538 nan 8.360 nan 0.000 0.448 212 E N -0.075 120.072 120.200 -0.088 0.000 2.235 212 E HA 0.152 4.505 4.350 0.004 0.000 0.265 212 E C 0.437 176.907 176.600 -0.216 0.000 0.940 212 E CA -0.442 55.881 56.400 -0.130 0.000 0.819 212 E CB 1.402 31.054 29.700 -0.081 0.000 1.206 212 E HN 0.091 nan 8.360 nan 0.000 0.409 213 K N 0.885 121.099 120.400 -0.309 0.000 2.362 213 K HA -0.142 4.180 4.320 0.004 0.000 0.202 213 K C 1.051 177.540 176.600 -0.184 0.000 1.045 213 K CA 1.267 57.252 56.287 -0.503 0.000 0.936 213 K CB -0.021 32.277 32.500 -0.338 0.000 0.747 213 K HN 0.377 nan 8.250 nan 0.000 0.467 214 N N 0.127 118.771 118.700 -0.094 0.000 2.241 214 N HA 0.038 4.781 4.740 0.004 0.000 0.238 214 N C -0.715 174.793 175.510 -0.002 0.000 1.244 214 N CA -0.216 52.825 53.050 -0.015 0.000 0.880 214 N CB 0.660 39.138 38.487 -0.016 0.000 1.179 214 N HN -0.127 nan 8.380 nan 0.000 0.513 215 K N 0.427 120.809 120.400 -0.031 0.000 2.482 215 K HA 0.418 4.741 4.320 0.004 0.000 0.251 215 K C -1.634 174.957 176.600 -0.015 0.000 0.936 215 K CA -0.584 55.696 56.287 -0.012 0.000 0.791 215 K CB 2.253 34.741 32.500 -0.019 0.000 1.213 215 K HN -0.132 nan 8.250 nan 0.000 0.428 216 V N 3.134 123.051 119.914 0.004 0.000 2.432 216 V HA 0.273 4.396 4.120 0.004 0.000 0.275 216 V C 0.106 176.202 176.094 0.003 0.000 1.043 216 V CA -0.636 61.668 62.300 0.006 0.000 0.925 216 V CB 1.393 33.228 31.823 0.020 0.000 0.985 216 V HN 0.874 nan 8.190 nan 0.000 0.466 217 S N 7.095 122.798 115.700 0.006 0.000 2.555 217 S HA 0.243 4.716 4.470 0.004 0.000 0.293 217 S C -0.169 174.433 174.600 0.002 0.000 1.248 217 S CA -0.042 58.163 58.200 0.007 0.000 1.096 217 S CB -0.414 62.795 63.200 0.015 0.000 0.881 217 S HN 0.544 nan 8.310 nan 0.000 0.498 218 M N 3.206 122.805 119.600 -0.000 0.000 2.690 218 M HA 0.781 5.263 4.480 0.004 0.000 0.302 218 M C -0.424 175.875 176.300 -0.001 0.000 1.234 218 M CA -0.732 54.566 55.300 -0.003 0.000 0.853 218 M CB 1.813 34.409 32.600 -0.007 0.000 1.748 218 M HN 0.660 nan 8.290 nan 0.000 0.469 219 A N 1.893 124.713 122.820 -0.000 0.000 2.605 219 A HA 0.844 5.166 4.320 0.004 0.000 0.294 219 A C -2.902 174.684 177.584 0.005 0.000 1.062 219 A CA -1.110 50.928 52.037 0.002 0.000 0.682 219 A CB 1.403 20.406 19.000 0.006 0.000 1.278 219 A HN 0.502 nan 8.150 nan 0.000 0.410 220 P HA 0.085 nan 4.420 nan 0.000 0.266 220 P C -0.507 176.803 177.300 0.016 0.000 1.193 220 P CA 0.427 63.530 63.100 0.005 0.000 0.770 220 P CB 0.497 32.194 31.700 -0.005 0.000 0.836 221 D N 0.866 121.279 120.400 0.021 0.000 2.400 221 D HA 0.228 4.870 4.640 0.004 0.000 0.243 221 D C 0.939 177.259 176.300 0.034 0.000 1.184 221 D CA -0.241 53.781 54.000 0.035 0.000 0.853 221 D CB -0.892 39.940 40.800 0.052 0.000 0.944 221 D HN 0.679 nan 8.370 nan 0.000 0.501 222 G N 1.290 110.112 108.800 0.037 0.000 2.690 222 G HA2 -0.238 3.724 3.960 0.004 0.000 0.686 222 G HA3 -0.238 3.724 3.960 0.004 0.000 0.686 222 G C 0.454 175.370 174.900 0.026 0.000 1.277 222 G CA -0.301 44.837 45.100 0.064 0.000 0.799 222 G HN 0.292 nan 8.290 nan 0.000 0.613 223 N N -0.118 118.596 118.700 0.024 0.000 2.520 223 N HA 0.060 4.802 4.740 0.004 0.000 0.185 223 N C 2.067 177.540 175.510 -0.062 0.000 1.068 223 N CA 2.091 55.122 53.050 -0.032 0.000 0.911 223 N CB -0.310 38.151 38.487 -0.043 0.000 0.961 223 N HN 1.288 nan 8.380 nan 0.000 0.446 224 G N -0.361 108.430 108.800 -0.016 0.000 2.598 224 G HA2 -0.000 3.962 3.960 0.004 0.000 0.215 224 G HA3 -0.000 3.962 3.960 0.004 0.000 0.215 224 G C 1.324 176.199 174.900 -0.042 0.000 1.131 224 G CA 0.327 45.426 45.100 -0.003 0.000 0.785 224 G HN 0.478 nan 8.290 nan 0.000 0.539 225 G N 0.769 109.540 108.800 -0.050 0.000 2.776 225 G HA2 -0.001 3.962 3.960 0.004 0.000 0.209 225 G HA3 -0.001 3.962 3.960 0.004 0.000 0.209 225 G C 1.569 176.431 174.900 -0.064 0.000 1.145 225 G CA 0.635 45.719 45.100 -0.026 0.000 0.791 225 G HN 0.417 nan 8.290 nan 0.000 0.530 226 L N -0.270 120.831 121.223 -0.203 0.000 2.043 226 L HA -0.112 4.231 4.340 0.004 0.000 0.212 226 L C 2.473 179.178 176.870 -0.275 0.000 1.075 226 L CA 1.723 56.414 54.840 -0.248 0.000 0.752 226 L CB -0.711 41.066 42.059 -0.470 0.000 0.891 226 L HN 0.368 nan 8.230 nan 0.000 0.432 227 Y N -0.480 119.833 120.300 0.021 0.000 2.224 227 Y HA -0.149 4.404 4.550 0.004 0.000 0.289 227 Y C 2.774 178.652 175.900 -0.036 0.000 1.146 227 Y CA 1.431 59.507 58.100 -0.040 0.000 1.182 227 Y CB -0.385 38.030 38.460 -0.076 0.000 0.983 227 Y HN 0.117 nan 8.280 nan 0.000 0.524 228 R N -0.097 120.458 120.500 0.092 0.000 2.115 228 R HA -0.074 4.269 4.340 0.004 0.000 0.226 228 R C 2.501 178.830 176.300 0.048 0.000 1.100 228 R CA 0.857 56.996 56.100 0.065 0.000 0.980 228 R CB -0.427 29.917 30.300 0.074 0.000 0.875 228 R HN 0.335 nan 8.270 nan 0.000 0.445 229 A N 1.154 124.017 122.820 0.070 0.000 1.933 229 A HA -0.121 4.201 4.320 0.004 0.000 0.218 229 A C 2.114 179.708 177.584 0.016 0.000 1.175 229 A CA 1.067 53.187 52.037 0.138 0.000 0.628 229 A CB -0.437 18.753 19.000 0.317 0.000 0.814 229 A HN 0.175 nan 8.150 nan 0.000 0.444 230 L N -0.885 120.277 121.223 -0.101 0.000 2.046 230 L HA -0.197 4.145 4.340 0.004 0.000 0.208 230 L C 3.109 179.874 176.870 -0.175 0.000 1.077 230 L CA 1.064 55.733 54.840 -0.285 0.000 0.747 230 L CB -0.594 41.331 42.059 -0.224 0.000 0.896 230 L HN 0.445 nan 8.230 nan 0.000 0.432 231 A N 0.147 122.918 122.820 -0.082 0.000 1.858 231 A HA -0.177 4.146 4.320 0.004 0.000 0.216 231 A C 2.583 180.141 177.584 -0.044 0.000 1.190 231 A CA 1.732 53.734 52.037 -0.060 0.000 0.617 231 A CB -0.919 18.062 19.000 -0.031 0.000 0.827 231 A HN 0.374 nan 8.150 nan 0.000 0.443 232 A N -1.542 121.269 122.820 -0.015 0.000 1.896 232 A HA -0.241 4.082 4.320 0.004 0.000 0.220 232 A C 1.863 179.448 177.584 0.002 0.000 1.206 232 A CA 1.989 54.030 52.037 0.007 0.000 0.647 232 A CB -0.417 18.606 19.000 0.038 0.000 0.828 232 A HN 0.461 nan 8.150 nan 0.000 0.455 233 Q N -0.084 119.708 119.800 -0.014 0.000 2.211 233 Q HA 0.100 4.443 4.340 0.004 0.000 0.231 233 Q C -0.616 175.351 176.000 -0.054 0.000 0.865 233 Q CA -0.266 55.532 55.803 -0.008 0.000 0.997 233 Q CB -0.093 28.674 28.738 0.049 0.000 1.101 233 Q HN 0.710 nan 8.270 nan 0.000 0.468 234 N N 1.111 119.769 118.700 -0.071 0.000 2.699 234 N HA -0.219 4.524 4.740 0.004 0.000 0.256 234 N C 0.690 176.131 175.510 -0.115 0.000 0.993 234 N CA 0.370 53.373 53.050 -0.079 0.000 0.759 234 N CB -0.586 37.878 38.487 -0.038 0.000 0.906 234 N HN 0.333 nan 8.380 nan 0.000 0.541 235 I N -0.518 119.918 120.570 -0.224 0.000 2.286 235 I HA -0.147 4.026 4.170 0.004 0.000 0.245 235 I C 2.364 178.312 176.117 -0.281 0.000 1.104 235 I CA 0.806 61.910 61.300 -0.328 0.000 1.397 235 I CB -0.699 36.882 38.000 -0.699 0.000 1.072 235 I HN 0.079 nan 8.210 nan 0.000 0.417 236 V N 1.075 120.847 119.914 -0.236 0.000 2.343 236 V HA -0.242 3.880 4.120 0.004 0.000 0.247 236 V C 2.507 178.541 176.094 -0.100 0.000 1.051 236 V CA 1.651 63.846 62.300 -0.176 0.000 1.036 236 V CB -0.776 30.962 31.823 -0.141 0.000 0.654 236 V HN 0.284 nan 8.190 nan 0.000 0.451 237 E N 0.266 120.421 120.200 -0.074 0.000 2.058 237 E HA -0.237 4.115 4.350 0.004 0.000 0.194 237 E C 2.098 178.696 176.600 -0.003 0.000 0.997 237 E CA 1.544 57.925 56.400 -0.032 0.000 0.801 237 E CB -0.541 29.144 29.700 -0.025 0.000 0.746 237 E HN 0.620 nan 8.360 nan 0.000 0.450 238 D N -0.018 120.386 120.400 0.007 0.000 2.133 238 D HA -0.195 4.447 4.640 0.004 0.000 0.195 238 D C 1.858 178.221 176.300 0.104 0.000 0.997 238 D CA 1.240 55.282 54.000 0.071 0.000 0.840 238 D CB -0.037 40.843 40.800 0.134 0.000 0.947 238 D HN 0.209 nan 8.370 nan 0.000 0.452 239 M N 0.174 119.807 119.600 0.056 0.000 2.108 239 M HA -0.151 4.331 4.480 0.004 0.000 0.261 239 M C 2.129 178.471 176.300 0.071 0.000 1.066 239 M CA 1.435 56.780 55.300 0.076 0.000 1.107 239 M CB -0.191 32.372 32.600 -0.061 0.000 1.356 239 M HN -0.020 nan 8.290 nan 0.000 0.406 240 E N -0.035 120.188 120.200 0.039 0.000 2.152 240 E HA -0.175 4.178 4.350 0.004 0.000 0.192 240 E C 1.962 178.596 176.600 0.056 0.000 0.983 240 E CA 0.780 57.211 56.400 0.051 0.000 0.818 240 E CB -0.087 29.632 29.700 0.032 0.000 0.758 240 E HN 0.570 nan 8.360 nan 0.000 0.467 241 Q N 0.171 120.002 119.800 0.051 0.000 2.364 241 Q HA -0.049 4.293 4.340 0.004 0.000 0.207 241 Q C 1.615 177.648 176.000 0.056 0.000 0.970 241 Q CA 0.816 56.648 55.803 0.048 0.000 0.888 241 Q CB 0.157 28.921 28.738 0.044 0.000 0.951 241 Q HN 0.115 nan 8.270 nan 0.000 0.469 242 R N -1.427 119.118 120.500 0.074 0.000 2.334 242 R HA 0.130 4.473 4.340 0.004 0.000 0.212 242 R C 0.916 177.260 176.300 0.072 0.000 0.897 242 R CA 0.541 56.686 56.100 0.074 0.000 1.056 242 R CB 0.826 31.187 30.300 0.101 0.000 1.046 242 R HN 0.283 nan 8.270 nan 0.000 0.513 243 G N 1.360 110.208 108.800 0.080 0.000 2.143 243 G HA2 -0.225 3.738 3.960 0.004 0.000 0.249 243 G HA3 -0.225 3.738 3.960 0.004 0.000 0.249 243 G C 0.192 175.167 174.900 0.125 0.000 0.981 243 G CA -0.327 44.826 45.100 0.088 0.000 0.665 243 G HN 0.102 nan 8.290 nan 0.000 0.528 244 I N 0.199 120.847 120.570 0.131 0.000 2.710 244 I HA 0.046 4.219 4.170 0.004 0.000 0.286 244 I C 1.341 177.581 176.117 0.204 0.000 1.181 244 I CA -0.113 61.279 61.300 0.153 0.000 1.430 244 I CB 0.451 38.536 38.000 0.143 0.000 1.367 244 I HN 0.449 nan 8.210 nan 0.000 0.577 245 W N 5.664 126.981 121.300 0.028 0.000 2.893 245 W HA 0.152 4.814 4.660 0.004 0.000 0.253 245 W C -0.342 176.183 176.519 0.010 0.000 1.171 245 W CA 0.058 57.419 57.345 0.027 0.000 1.480 245 W CB 0.761 30.241 29.460 0.033 0.000 0.963 245 W HN 0.406 nan 8.180 nan 0.000 0.637 246 S N 2.195 117.853 115.700 -0.069 0.000 2.500 246 S HA 0.523 4.995 4.470 0.004 0.000 0.301 246 S C -0.627 173.890 174.600 -0.138 0.000 1.092 246 S CA -0.527 57.520 58.200 -0.255 0.000 1.030 246 S CB 2.214 65.464 63.200 0.083 0.000 1.031 246 S HN -0.048 nan 8.310 nan 0.000 0.483 247 I N 3.000 123.417 120.570 -0.254 0.000 2.433 247 I HA 0.310 4.482 4.170 0.004 0.000 0.292 247 I C -0.426 175.713 176.117 0.037 0.000 1.001 247 I CA -0.526 60.763 61.300 -0.018 0.000 1.119 247 I CB 1.471 39.495 38.000 0.041 0.000 1.289 247 I HN 0.727 nan 8.210 nan 0.000 0.438 248 H N 6.076 125.210 119.070 0.106 0.000 2.638 248 H HA 0.566 5.124 4.556 0.004 0.000 0.303 248 H C -1.351 174.159 175.328 0.305 0.000 1.034 248 H CA -0.498 55.663 56.048 0.188 0.000 1.225 248 H CB 0.979 30.873 29.762 0.220 0.000 1.394 248 H HN 0.251 nan 8.280 nan 0.000 0.477 249 V N 7.756 127.718 119.914 0.081 0.000 2.481 249 V HA 0.317 4.439 4.120 0.004 0.000 0.286 249 V C -0.690 175.377 176.094 -0.044 0.000 1.042 249 V CA -0.388 61.946 62.300 0.055 0.000 0.928 249 V CB 0.226 32.151 31.823 0.170 0.000 0.986 249 V HN 0.833 nan 8.190 nan 0.000 0.462 250 Y N 2.152 122.339 120.300 -0.189 0.000 2.609 250 Y HA 0.658 5.210 4.550 0.004 0.000 0.336 250 Y C -0.475 175.405 175.900 -0.033 0.000 1.129 250 Y CA -1.311 56.694 58.100 -0.158 0.000 1.040 250 Y CB 0.804 39.138 38.460 -0.210 0.000 1.310 250 Y HN 0.653 nan 8.280 nan 0.000 0.460 251 C N 2.636 121.957 119.300 0.035 0.000 2.601 251 C HA 0.325 4.788 4.460 0.004 0.000 0.409 251 C C 1.726 176.752 174.990 0.061 0.000 1.293 251 C CA 0.247 59.264 59.018 -0.001 0.000 2.101 251 C CB 0.693 28.474 27.740 0.068 0.000 2.639 251 C HN 0.960 nan 8.230 nan 0.000 0.592 252 V N 4.052 123.950 119.914 -0.027 0.000 2.719 252 V HA -0.056 4.067 4.120 0.004 0.000 0.252 252 V C 1.920 178.022 176.094 0.012 0.000 1.065 252 V CA 2.638 64.945 62.300 0.012 0.000 1.086 252 V CB -0.433 31.344 31.823 -0.077 0.000 0.700 252 V HN 1.060 nan 8.190 nan 0.000 0.467 253 D N -0.184 120.210 120.400 -0.009 0.000 2.363 253 D HA -0.076 4.566 4.640 0.004 0.000 0.226 253 D C 0.794 177.067 176.300 -0.045 0.000 1.020 253 D CA 0.209 54.179 54.000 -0.050 0.000 0.892 253 D CB -0.631 40.123 40.800 -0.077 0.000 0.900 253 D HN 0.506 nan 8.370 nan 0.000 0.531 254 N N 0.756 119.472 118.700 0.027 0.000 2.500 254 N HA 0.077 4.819 4.740 0.004 0.000 0.236 254 N C 0.580 176.092 175.510 0.004 0.000 1.022 254 N CA -0.501 52.554 53.050 0.009 0.000 0.935 254 N CB 0.415 38.984 38.487 0.136 0.000 1.147 254 N HN 0.179 nan 8.380 nan 0.000 0.512 255 I N 3.303 123.837 120.570 -0.059 0.000 2.530 255 I HA -0.169 4.003 4.170 0.004 0.000 0.257 255 I C 0.887 176.970 176.117 -0.057 0.000 1.179 255 I CA 1.131 62.396 61.300 -0.059 0.000 1.440 255 I CB 0.286 38.228 38.000 -0.096 0.000 1.087 255 I HN 0.602 nan 8.210 nan 0.000 0.440 256 L N -0.076 121.116 121.223 -0.051 0.000 2.592 256 L HA 0.157 4.499 4.340 0.004 0.000 0.227 256 L C 0.919 177.789 176.870 -0.000 0.000 1.127 256 L CA -0.377 54.440 54.840 -0.039 0.000 0.884 256 L CB 0.054 42.089 42.059 -0.039 0.000 1.065 256 L HN -0.030 nan 8.230 nan 0.000 0.457 257 V N 2.259 122.190 119.914 0.028 0.000 2.539 257 V HA -0.138 3.985 4.120 0.004 0.000 0.300 257 V C 0.720 176.792 176.094 -0.037 0.000 1.019 257 V CA 0.433 62.754 62.300 0.036 0.000 1.160 257 V CB 0.231 32.097 31.823 0.072 0.000 0.901 257 V HN 0.305 nan 8.190 nan 0.000 0.481 258 K N 6.279 126.675 120.400 -0.007 0.000 2.187 258 K HA 0.274 4.596 4.320 0.004 0.000 0.242 258 K C -0.337 176.325 176.600 0.104 0.000 1.179 258 K CA -0.390 55.891 56.287 -0.010 0.000 1.097 258 K CB 0.482 33.003 32.500 0.034 0.000 1.634 258 K HN 0.674 nan 8.250 nan 0.000 0.335 259 V N 2.040 121.950 119.914 -0.006 0.000 2.644 259 V HA -0.132 3.991 4.120 0.004 0.000 0.305 259 V C 1.168 177.338 176.094 0.127 0.000 1.053 259 V CA 0.834 63.079 62.300 -0.091 0.000 1.186 259 V CB 0.224 31.856 31.823 -0.318 0.000 0.895 259 V HN 0.939 nan 8.190 nan 0.000 0.490 260 A N 3.631 126.603 122.820 0.252 0.000 2.832 260 A HA -0.216 4.106 4.320 0.004 0.000 0.280 260 A C 0.642 178.215 177.584 -0.019 0.000 1.464 260 A CA 0.892 52.983 52.037 0.090 0.000 0.804 260 A CB -1.951 17.070 19.000 0.035 0.000 1.020 260 A HN 1.228 nan 8.150 nan 0.000 0.563 261 D N 0.056 120.447 120.400 -0.015 0.000 2.536 261 D HA 0.153 4.796 4.640 0.004 0.000 0.260 261 D C 0.054 176.362 176.300 0.013 0.000 1.270 261 D CA -0.544 53.510 54.000 0.089 0.000 0.934 261 D CB 0.634 41.507 40.800 0.121 0.000 1.129 261 D HN 0.374 nan 8.370 nan 0.000 0.533 262 P HA -0.197 nan 4.420 nan 0.000 0.218 262 P C 1.098 178.412 177.300 0.023 0.000 1.148 262 P CA 1.093 64.180 63.100 -0.022 0.000 0.822 262 P CB 0.290 31.956 31.700 -0.058 0.000 0.784 263 R N -1.532 119.013 120.500 0.075 0.000 2.073 263 R HA -0.067 4.276 4.340 0.004 0.000 0.229 263 R C 2.428 178.655 176.300 -0.121 0.000 1.120 263 R CA 1.084 57.245 56.100 0.102 0.000 0.967 263 R CB -0.942 29.488 30.300 0.216 0.000 0.862 263 R HN 0.156 nan 8.270 nan 0.000 0.436 264 F N 1.637 121.368 119.950 -0.364 0.000 2.146 264 F HA -0.063 4.466 4.527 0.004 0.000 0.298 264 F C 1.847 177.364 175.800 -0.471 0.000 1.096 264 F CA 1.075 58.695 58.000 -0.635 0.000 1.275 264 F CB -0.331 38.456 39.000 -0.355 0.000 1.008 264 F HN -0.134 nan 8.300 nan 0.000 0.480 265 I N 0.220 120.553 120.570 -0.396 0.000 2.179 265 I HA -0.212 3.961 4.170 0.004 0.000 0.242 265 I C 2.775 178.648 176.117 -0.406 0.000 1.088 265 I CA 1.460 62.491 61.300 -0.448 0.000 1.357 265 I CB -1.320 36.612 38.000 -0.114 0.000 1.051 265 I HN 0.272 nan 8.210 nan 0.000 0.409 266 G N 0.626 109.302 108.800 -0.208 0.000 2.442 266 G HA2 -0.323 3.639 3.960 0.004 0.000 0.219 266 G HA3 -0.323 3.639 3.960 0.004 0.000 0.219 266 G C 1.616 176.329 174.900 -0.312 0.000 1.141 266 G CA 0.618 45.653 45.100 -0.108 0.000 0.763 266 G HN 0.366 nan 8.290 nan 0.000 0.554 267 F N 1.267 120.742 119.950 -0.793 0.000 2.102 267 F HA -0.125 4.405 4.527 0.004 0.000 0.298 267 F C 2.672 177.920 175.800 -0.919 0.000 1.105 267 F CA 1.464 58.660 58.000 -1.339 0.000 1.239 267 F CB -0.556 37.472 39.000 -1.619 0.000 0.991 267 F HN 0.200 nan 8.300 nan 0.000 0.474 268 C N 0.705 119.385 119.300 -1.035 0.000 2.462 268 C HA -0.139 4.323 4.460 0.004 0.000 0.278 268 C C 2.804 177.284 174.990 -0.850 0.000 1.253 268 C CA 0.514 58.806 59.018 -1.210 0.000 1.713 268 C CB -1.209 25.314 27.740 -2.029 0.000 2.049 268 C HN 0.498 nan 8.230 nan 0.000 0.477 269 I N 0.946 121.132 120.570 -0.640 0.000 2.069 269 I HA -0.261 3.912 4.170 0.004 0.000 0.237 269 I C 2.718 178.710 176.117 -0.209 0.000 1.053 269 I CA 1.707 62.878 61.300 -0.216 0.000 1.311 269 I CB -1.671 36.300 38.000 -0.048 0.000 1.030 269 I HN 0.485 nan 8.210 nan 0.000 0.398 270 Q N 0.670 120.336 119.800 -0.223 0.000 2.268 270 Q HA -0.259 4.083 4.340 0.004 0.000 0.210 270 Q C 1.728 177.606 176.000 -0.204 0.000 0.988 270 Q CA 1.736 57.462 55.803 -0.128 0.000 0.883 270 Q CB 0.006 28.765 28.738 0.036 0.000 0.911 270 Q HN 0.247 nan 8.270 nan 0.000 0.430 271 K N -0.982 119.163 120.400 -0.424 0.000 2.404 271 K HA 0.107 4.429 4.320 0.004 0.000 0.194 271 K C 0.283 176.721 176.600 -0.270 0.000 1.023 271 K CA 0.661 56.696 56.287 -0.422 0.000 1.094 271 K CB 0.097 32.126 32.500 -0.785 0.000 0.841 271 K HN 0.350 nan 8.250 nan 0.000 0.523 272 G N 0.503 109.183 108.800 -0.201 0.000 2.333 272 G HA2 -0.207 3.755 3.960 0.004 0.000 0.296 272 G HA3 -0.207 3.755 3.960 0.004 0.000 0.296 272 G C -0.043 174.812 174.900 -0.075 0.000 1.059 272 G CA 0.296 45.352 45.100 -0.074 0.000 1.050 272 G HN 0.460 nan 8.290 nan 0.000 0.508 273 A N -0.325 122.417 122.820 -0.131 0.000 2.299 273 A HA 0.809 5.132 4.320 0.004 0.000 0.332 273 A C 0.988 178.619 177.584 0.079 0.000 1.131 273 A CA 0.309 52.281 52.037 -0.108 0.000 0.844 273 A CB 0.921 19.752 19.000 -0.282 0.000 1.251 273 A HN 0.629 nan 8.150 nan 0.000 0.486 274 D N -1.235 119.162 120.400 -0.005 0.000 2.441 274 D HA 0.155 4.798 4.640 0.004 0.000 0.210 274 D C -0.066 176.174 176.300 -0.100 0.000 1.102 274 D CA 0.087 54.053 54.000 -0.056 0.000 0.840 274 D CB 0.015 40.667 40.800 -0.245 0.000 0.990 274 D HN 0.356 nan 8.370 nan 0.000 0.505 275 C N 0.369 119.671 119.300 0.004 0.000 2.811 275 C HA 0.809 5.271 4.460 0.004 0.000 0.352 275 C C -0.459 174.535 174.990 0.008 0.000 1.098 275 C CA -0.041 59.093 59.018 0.193 0.000 1.295 275 C CB 0.883 28.702 27.740 0.131 0.000 1.758 275 C HN 0.398 nan 8.230 nan 0.000 0.488 276 G N 2.778 111.605 108.800 0.045 0.000 2.659 276 G HA2 0.865 4.827 3.960 0.004 0.000 0.296 276 G HA3 0.865 4.827 3.960 0.004 0.000 0.296 276 G C -1.416 173.538 174.900 0.089 0.000 1.369 276 G CA 0.028 45.019 45.100 -0.181 0.000 0.937 276 G HN 1.529 nan 8.290 nan 0.000 0.485 277 A N 1.346 124.147 122.820 -0.032 0.000 2.335 277 A HA 0.730 5.053 4.320 0.004 0.000 0.304 277 A C -0.125 177.491 177.584 0.052 0.000 1.118 277 A CA -0.711 51.453 52.037 0.212 0.000 0.757 277 A CB 1.308 20.448 19.000 0.233 0.000 1.188 277 A HN 0.701 nan 8.150 nan 0.000 0.460 278 K N 2.032 122.336 120.400 -0.161 0.000 2.249 278 K HA 0.550 4.872 4.320 0.004 0.000 0.280 278 K C -0.257 176.227 176.600 -0.193 0.000 1.033 278 K CA -0.180 55.827 56.287 -0.467 0.000 0.946 278 K CB 0.712 32.718 32.500 -0.822 0.000 1.005 278 K HN 0.850 nan 8.250 nan 0.000 0.469 279 V N 0.976 120.762 119.914 -0.214 0.000 3.160 279 V HA 0.746 4.869 4.120 0.004 0.000 0.310 279 V C -0.688 175.275 176.094 -0.218 0.000 1.181 279 V CA -0.902 61.289 62.300 -0.182 0.000 1.047 279 V CB 1.530 33.289 31.823 -0.105 0.000 1.068 279 V HN 0.596 nan 8.190 nan 0.000 0.441 280 V N -1.172 118.616 119.914 -0.211 0.000 3.001 280 V HA 0.792 4.914 4.120 0.004 0.000 0.314 280 V C -0.283 175.747 176.094 -0.107 0.000 1.099 280 V CA -0.724 61.480 62.300 -0.160 0.000 0.989 280 V CB 1.623 33.365 31.823 -0.134 0.000 1.040 280 V HN 1.217 nan 8.190 nan 0.000 0.434 281 E N 2.062 122.218 120.200 -0.073 0.000 2.299 281 E HA 0.192 4.544 4.350 0.004 0.000 0.272 281 E C -0.122 176.466 176.600 -0.020 0.000 1.043 281 E CA 0.149 56.522 56.400 -0.045 0.000 0.895 281 E CB 0.617 30.292 29.700 -0.041 0.000 1.011 281 E HN 0.740 nan 8.360 nan 0.000 0.432 282 K N 3.617 124.011 120.400 -0.009 0.000 2.276 282 K HA 0.107 4.429 4.320 0.004 0.000 0.285 282 K C 0.263 176.872 176.600 0.014 0.000 1.062 282 K CA 0.320 56.613 56.287 0.010 0.000 0.918 282 K CB 0.604 33.119 32.500 0.024 0.000 1.055 282 K HN 0.764 nan 8.250 nan 0.000 0.477 283 T N 0.020 114.582 114.554 0.014 0.000 2.978 283 T HA 0.046 4.398 4.350 0.004 0.000 0.248 283 T C 0.518 175.227 174.700 0.014 0.000 1.018 283 T CA -0.194 61.912 62.100 0.011 0.000 1.026 283 T CB 0.015 68.886 68.868 0.005 0.000 1.032 283 T HN 0.419 nan 8.240 nan 0.000 0.485 284 N N 2.641 121.350 118.700 0.016 0.000 2.426 284 N HA 0.349 5.091 4.740 0.004 0.000 0.257 284 N C -2.221 173.304 175.510 0.024 0.000 1.002 284 N CA -2.390 50.669 53.050 0.015 0.000 0.942 284 N CB 1.930 40.422 38.487 0.008 0.000 1.112 284 N HN -0.095 nan 8.380 nan 0.000 0.499 285 P HA -0.124 nan 4.420 nan 0.000 0.217 285 P C 0.600 177.924 177.300 0.040 0.000 1.151 285 P CA 1.697 64.821 63.100 0.040 0.000 0.849 285 P CB 0.105 31.828 31.700 0.038 0.000 0.787 286 T N -4.363 110.208 114.554 0.029 0.000 3.244 286 T HA 0.129 4.481 4.350 0.004 0.000 0.254 286 T C 0.416 175.124 174.700 0.012 0.000 1.024 286 T CA -0.463 61.655 62.100 0.030 0.000 0.920 286 T CB -0.676 68.207 68.868 0.024 0.000 1.042 286 T HN 0.087 nan 8.240 nan 0.000 0.572 287 E N 3.296 123.500 120.200 0.007 0.000 2.376 287 E HA 0.096 4.448 4.350 0.004 0.000 0.266 287 E C -1.933 174.624 176.600 -0.071 0.000 1.009 287 E CA -2.076 54.310 56.400 -0.023 0.000 0.902 287 E CB 0.772 30.474 29.700 0.003 0.000 0.972 287 E HN 0.176 nan 8.360 nan 0.000 0.439 288 P HA 0.029 nan 4.420 nan 0.000 0.226 288 P C -0.718 176.229 177.300 -0.589 0.000 1.783 288 P CA 0.081 62.808 63.100 -0.621 0.000 0.980 288 P CB -0.457 30.743 31.700 -0.833 0.000 1.967 289 V N -1.760 118.076 119.914 -0.130 0.000 2.735 289 V HA 0.873 4.996 4.120 0.004 0.000 0.310 289 V C 0.449 176.629 176.094 0.143 0.000 1.061 289 V CA -1.063 61.245 62.300 0.014 0.000 0.913 289 V CB 1.656 33.467 31.823 -0.019 0.000 1.005 289 V HN 0.235 nan 8.190 nan 0.000 0.428 290 G N 1.564 110.454 108.800 0.148 0.000 2.569 290 G HA2 0.536 4.498 3.960 0.004 0.000 0.249 290 G HA3 0.536 4.498 3.960 0.004 0.000 0.249 290 G C -0.162 174.718 174.900 -0.032 0.000 1.216 290 G CA 0.106 45.223 45.100 0.029 0.000 0.845 290 G HN 1.894 nan 8.290 nan 0.000 0.568 291 V N -0.052 119.831 119.914 -0.052 0.000 2.459 291 V HA 0.640 4.763 4.120 0.004 0.000 0.295 291 V C 0.130 176.225 176.094 0.001 0.000 1.029 291 V CA -1.093 61.210 62.300 0.006 0.000 0.874 291 V CB 1.361 33.225 31.823 0.069 0.000 0.985 291 V HN 0.513 nan 8.190 nan 0.000 0.438 292 V N 5.126 125.087 119.914 0.079 0.000 2.614 292 V HA 0.541 4.663 4.120 0.004 0.000 0.291 292 V C 0.679 176.914 176.094 0.235 0.000 1.049 292 V CA 0.614 63.010 62.300 0.160 0.000 1.038 292 V CB 0.417 32.383 31.823 0.239 0.000 0.980 292 V HN 1.453 nan 8.190 nan 0.000 0.481 293 C N 4.028 123.476 119.300 0.248 0.000 3.272 293 C HA 0.800 5.263 4.460 0.004 0.000 0.363 293 C C -0.802 174.303 174.990 0.192 0.000 1.514 293 C CA -1.215 57.975 59.018 0.287 0.000 1.185 293 C CB 1.945 29.830 27.740 0.242 0.000 1.716 293 C HN 0.880 nan 8.230 nan 0.000 0.440 294 R N 0.334 120.877 120.500 0.073 0.000 2.534 294 R HA 0.800 5.142 4.340 0.004 0.000 0.301 294 R C -1.924 174.309 176.300 -0.113 0.000 0.961 294 R CA -0.371 55.612 56.100 -0.196 0.000 0.871 294 R CB 2.039 32.101 30.300 -0.398 0.000 1.170 294 R HN 0.783 nan 8.270 nan 0.000 0.446 295 V N 4.604 124.424 119.914 -0.156 0.000 2.482 295 V HA 0.205 4.327 4.120 0.004 0.000 0.295 295 V C -0.643 175.380 176.094 -0.119 0.000 1.026 295 V CA -0.719 61.517 62.300 -0.106 0.000 0.856 295 V CB 1.692 33.460 31.823 -0.093 0.000 1.001 295 V HN 0.960 nan 8.190 nan 0.000 0.424 296 D N 4.268 124.614 120.400 -0.090 0.000 2.708 296 D HA -0.198 4.444 4.640 0.004 0.000 0.236 296 D C 1.326 177.566 176.300 -0.101 0.000 1.146 296 D CA 1.855 55.808 54.000 -0.079 0.000 0.662 296 D CB -1.069 39.692 40.800 -0.065 0.000 1.059 296 D HN 1.458 nan 8.370 nan 0.000 0.428 297 G N -2.318 106.399 108.800 -0.139 0.000 2.217 297 G HA2 -0.228 3.734 3.960 0.004 0.000 0.246 297 G HA3 -0.228 3.734 3.960 0.004 0.000 0.246 297 G C 0.374 175.130 174.900 -0.241 0.000 0.990 297 G CA 0.759 45.763 45.100 -0.161 0.000 0.627 297 G HN 1.258 nan 8.290 nan 0.000 0.522 298 V N -2.294 117.459 119.914 -0.267 0.000 2.715 298 V HA 0.844 4.966 4.120 0.004 0.000 0.310 298 V C 0.181 176.045 176.094 -0.383 0.000 1.054 298 V CA -2.226 59.902 62.300 -0.286 0.000 0.928 298 V CB 1.381 33.085 31.823 -0.199 0.000 1.007 298 V HN 0.277 nan 8.190 nan 0.000 0.437 299 Y N 2.523 122.699 120.300 -0.206 0.000 2.336 299 Y HA 0.605 5.158 4.550 0.004 0.000 0.331 299 Y C 0.824 176.586 175.900 -0.230 0.000 1.211 299 Y CA 0.307 58.236 58.100 -0.285 0.000 1.346 299 Y CB 0.840 38.880 38.460 -0.700 0.000 1.271 299 Y HN 0.689 nan 8.280 nan 0.000 0.538 300 Q N 0.641 120.451 119.800 0.017 0.000 2.648 300 Q HA 0.561 4.904 4.340 0.004 0.000 0.300 300 Q C -1.791 174.186 176.000 -0.038 0.000 0.954 300 Q CA -1.027 54.768 55.803 -0.012 0.000 0.757 300 Q CB 2.637 31.343 28.738 -0.054 0.000 1.482 300 Q HN 0.398 nan 8.270 nan 0.000 0.437 301 V N 1.051 120.814 119.914 -0.251 0.000 2.487 301 V HA 0.349 4.471 4.120 0.004 0.000 0.298 301 V C -0.529 175.337 176.094 -0.380 0.000 1.028 301 V CA -0.703 61.290 62.300 -0.511 0.000 0.860 301 V CB 1.970 32.892 31.823 -1.502 0.000 0.991 301 V HN 0.508 nan 8.190 nan 0.000 0.427 302 V N 4.213 123.992 119.914 -0.226 0.000 2.348 302 V HA 0.286 4.408 4.120 0.004 0.000 0.270 302 V C 0.372 176.394 176.094 -0.121 0.000 1.037 302 V CA -0.487 61.738 62.300 -0.126 0.000 0.872 302 V CB 1.312 33.045 31.823 -0.150 0.000 1.002 302 V HN 0.954 nan 8.190 nan 0.000 0.464 303 E N 3.652 123.824 120.200 -0.047 0.000 2.437 303 E HA -0.043 4.309 4.350 0.004 0.000 0.263 303 E C 0.838 177.363 176.600 -0.125 0.000 1.030 303 E CA 0.230 56.579 56.400 -0.085 0.000 0.934 303 E CB 0.379 30.032 29.700 -0.078 0.000 0.943 303 E HN 0.637 nan 8.360 nan 0.000 0.444 304 Y N 1.450 121.737 120.300 -0.022 0.000 2.241 304 Y HA -0.184 4.369 4.550 0.004 0.000 0.286 304 Y C 1.656 177.559 175.900 0.005 0.000 1.166 304 Y CA 1.138 59.231 58.100 -0.012 0.000 1.203 304 Y CB -0.709 37.748 38.460 -0.006 0.000 0.977 304 Y HN 0.346 nan 8.280 nan 0.000 0.529 305 S N -0.755 114.630 115.700 -0.525 0.000 2.593 305 S HA 0.089 4.562 4.470 0.004 0.000 0.217 305 S C 0.875 175.405 174.600 -0.117 0.000 0.966 305 S CA 0.338 58.385 58.200 -0.256 0.000 0.914 305 S CB -0.197 62.786 63.200 -0.362 0.000 0.776 305 S HN 0.689 nan 8.310 nan 0.000 0.523 306 E N 0.162 120.306 120.200 -0.094 0.000 2.601 306 E HA 0.405 4.757 4.350 0.004 0.000 0.219 306 E C -0.181 176.384 176.600 -0.058 0.000 0.964 306 E CA -0.229 56.140 56.400 -0.052 0.000 1.050 306 E CB 0.770 30.470 29.700 0.000 0.000 1.068 306 E HN 0.543 nan 8.360 nan 0.000 0.496 307 I N 1.894 122.432 120.570 -0.053 0.000 2.440 307 I HA 0.153 4.325 4.170 0.004 0.000 0.294 307 I C 0.305 176.397 176.117 -0.042 0.000 0.995 307 I CA -0.486 60.775 61.300 -0.065 0.000 1.306 307 I CB 0.985 38.947 38.000 -0.063 0.000 1.407 307 I HN -0.017 nan 8.210 nan 0.000 0.501 308 S N 6.171 121.840 115.700 -0.052 0.000 2.617 308 S HA 0.113 4.585 4.470 0.004 0.000 0.269 308 S C 0.743 175.338 174.600 -0.009 0.000 1.292 308 S CA -0.693 57.490 58.200 -0.028 0.000 1.010 308 S CB 1.588 64.770 63.200 -0.030 0.000 0.944 308 S HN 0.723 nan 8.310 nan 0.000 0.536 309 L N 2.057 123.284 121.223 0.006 0.000 2.056 309 L HA 0.109 4.451 4.340 0.004 0.000 0.207 309 L C 2.592 179.476 176.870 0.024 0.000 1.078 309 L CA 2.277 57.128 54.840 0.019 0.000 0.749 309 L CB -1.593 40.478 42.059 0.020 0.000 0.901 309 L HN 0.954 nan 8.230 nan 0.000 0.433 310 A N -1.516 121.315 122.820 0.019 0.000 1.908 310 A HA -0.238 4.084 4.320 0.004 0.000 0.218 310 A C 2.273 179.886 177.584 0.049 0.000 1.181 310 A CA 2.473 54.527 52.037 0.029 0.000 0.627 310 A CB -1.203 17.810 19.000 0.022 0.000 0.818 310 A HN 0.519 nan 8.150 nan 0.000 0.445 311 T N -0.121 114.452 114.554 0.033 0.000 2.812 311 T HA 0.110 4.462 4.350 0.004 0.000 0.264 311 T C 2.218 176.982 174.700 0.107 0.000 1.042 311 T CA 1.293 63.424 62.100 0.052 0.000 1.140 311 T CB -0.354 68.462 68.868 -0.085 0.000 0.870 311 T HN 0.586 nan 8.240 nan 0.000 0.445 312 A N 2.070 124.924 122.820 0.057 0.000 1.969 312 A HA -0.142 4.181 4.320 0.004 0.000 0.218 312 A C 2.256 179.898 177.584 0.096 0.000 1.169 312 A CA 1.552 53.637 52.037 0.080 0.000 0.635 312 A CB -0.545 18.485 19.000 0.050 0.000 0.810 312 A HN 0.716 nan 8.150 nan 0.000 0.445 313 Q N -0.453 119.393 119.800 0.076 0.000 2.424 313 Q HA 0.124 4.466 4.340 0.004 0.000 0.204 313 Q C 0.718 176.757 176.000 0.066 0.000 0.933 313 Q CA 0.172 56.011 55.803 0.061 0.000 0.929 313 Q CB -0.357 28.406 28.738 0.042 0.000 1.037 313 Q HN 0.462 nan 8.270 nan 0.000 0.511 314 K N 1.905 122.362 120.400 0.095 0.000 2.466 314 K HA 0.004 4.327 4.320 0.004 0.000 0.278 314 K C -0.618 176.012 176.600 0.049 0.000 1.048 314 K CA 0.187 56.525 56.287 0.085 0.000 1.088 314 K CB 0.514 33.099 32.500 0.142 0.000 0.884 314 K HN 0.151 nan 8.250 nan 0.000 0.478 315 R N 1.732 122.243 120.500 0.019 0.000 2.668 315 R HA 0.222 4.565 4.340 0.004 0.000 0.279 315 R C -0.205 176.079 176.300 -0.026 0.000 0.976 315 R CA -0.621 55.476 56.100 -0.004 0.000 0.978 315 R CB 1.710 32.011 30.300 0.001 0.000 1.133 315 R HN 0.808 nan 8.270 nan 0.000 0.484 316 S N -0.300 115.374 115.700 -0.044 0.000 2.713 316 S HA 0.089 4.562 4.470 0.004 0.000 0.277 316 S C 1.135 175.715 174.600 -0.032 0.000 1.168 316 S CA -0.397 57.772 58.200 -0.052 0.000 0.994 316 S CB 1.533 64.689 63.200 -0.074 0.000 1.054 316 S HN 0.671 nan 8.310 nan 0.000 0.555 317 S N 0.245 115.927 115.700 -0.029 0.000 2.442 317 S HA -0.156 4.317 4.470 0.004 0.000 0.236 317 S C 1.067 175.657 174.600 -0.018 0.000 1.007 317 S CA 1.090 59.278 58.200 -0.020 0.000 0.965 317 S CB -0.961 62.228 63.200 -0.018 0.000 0.773 317 S HN 0.893 nan 8.310 nan 0.000 0.504 318 D N 0.574 120.961 120.400 -0.022 0.000 2.363 318 D HA 0.244 4.886 4.640 0.004 0.000 0.226 318 D C 1.460 177.750 176.300 -0.017 0.000 1.020 318 D CA 0.676 54.665 54.000 -0.019 0.000 0.892 318 D CB -0.712 40.075 40.800 -0.022 0.000 0.900 318 D HN 0.566 nan 8.370 nan 0.000 0.531 319 G N -0.075 108.716 108.800 -0.016 0.000 2.234 319 G HA2 -0.310 3.653 3.960 0.004 0.000 0.235 319 G HA3 -0.310 3.653 3.960 0.004 0.000 0.235 319 G C 0.479 175.372 174.900 -0.013 0.000 0.997 319 G CA -0.017 45.075 45.100 -0.012 0.000 0.623 319 G HN 0.477 nan 8.290 nan 0.000 0.514 320 R N -0.143 120.345 120.500 -0.019 0.000 2.583 320 R HA 0.656 4.999 4.340 0.004 0.000 0.268 320 R C 0.784 177.071 176.300 -0.021 0.000 1.101 320 R CA -0.638 55.451 56.100 -0.019 0.000 1.180 320 R CB 0.505 30.789 30.300 -0.027 0.000 1.128 320 R HN 0.228 nan 8.270 nan 0.000 0.568 321 L N 2.003 123.220 121.223 -0.011 0.000 2.426 321 L HA -0.012 4.330 4.340 0.004 0.000 0.271 321 L C 1.555 178.396 176.870 -0.048 0.000 1.169 321 L CA -0.190 54.650 54.840 -0.001 0.000 0.836 321 L CB 0.443 42.524 42.059 0.037 0.000 1.112 321 L HN 0.568 nan 8.230 nan 0.000 0.465 322 L N 3.142 124.310 121.223 -0.093 0.000 2.046 322 L HA -0.084 4.258 4.340 0.004 0.000 0.208 322 L C 0.621 177.212 176.870 -0.465 0.000 1.077 322 L CA 1.762 56.425 54.840 -0.296 0.000 0.747 322 L CB -0.170 41.660 42.059 -0.382 0.000 0.896 322 L HN 0.340 nan 8.230 nan 0.000 0.432 323 F N 1.016 120.972 119.950 0.010 0.000 2.359 323 F HA 0.269 4.799 4.527 0.004 0.000 0.355 323 F C 0.903 176.707 175.800 0.006 0.000 1.132 323 F CA -0.593 57.414 58.000 0.012 0.000 1.246 323 F CB -0.246 38.761 39.000 0.012 0.000 1.569 323 F HN 0.212 nan 8.300 nan 0.000 0.561 324 N N 0.923 119.666 118.700 0.072 0.000 2.203 324 N HA 0.140 4.882 4.740 0.004 0.000 0.207 324 N C 0.156 175.682 175.510 0.026 0.000 1.130 324 N CA -0.104 52.971 53.050 0.041 0.000 0.861 324 N CB 0.382 38.868 38.487 -0.001 0.000 1.005 324 N HN 0.262 nan 8.380 nan 0.000 0.507 325 A N 0.688 123.540 122.820 0.054 0.000 2.922 325 A HA 0.609 4.932 4.320 0.004 0.000 0.298 325 A C 0.737 178.331 177.584 0.017 0.000 1.588 325 A CA -0.483 51.570 52.037 0.027 0.000 1.288 325 A CB -0.908 18.130 19.000 0.063 0.000 1.130 325 A HN 0.294 nan 8.150 nan 0.000 0.557 326 G N 1.845 110.627 108.800 -0.030 0.000 2.360 326 G HA2 0.297 4.259 3.960 0.004 0.000 0.279 326 G HA3 0.297 4.259 3.960 0.004 0.000 0.279 326 G C 0.150 174.977 174.900 -0.122 0.000 1.189 326 G CA -0.424 44.638 45.100 -0.063 0.000 0.941 326 G HN 0.751 nan 8.290 nan 0.000 0.445 327 N N 1.778 120.436 118.700 -0.070 0.000 2.447 327 N HA 0.048 4.791 4.740 0.004 0.000 0.263 327 N C 1.103 176.518 175.510 -0.159 0.000 1.226 327 N CA -0.186 52.845 53.050 -0.032 0.000 0.906 327 N CB 0.423 38.926 38.487 0.026 0.000 1.060 327 N HN 0.513 nan 8.380 nan 0.000 0.468 328 I N 0.999 121.442 120.570 -0.212 0.000 3.877 328 I HA 0.464 4.636 4.170 0.004 0.000 0.332 328 I C 0.522 176.594 176.117 -0.076 0.000 1.525 328 I CA -0.629 60.421 61.300 -0.417 0.000 1.146 328 I CB -0.265 37.288 38.000 -0.745 0.000 1.137 328 I HN 0.531 nan 8.210 nan 0.000 0.424 329 A N 1.648 124.507 122.820 0.065 0.000 2.687 329 A HA -0.256 4.066 4.320 0.004 0.000 0.299 329 A C -0.383 177.079 177.584 -0.203 0.000 1.497 329 A CA 0.849 52.880 52.037 -0.010 0.000 0.751 329 A CB -2.564 16.466 19.000 0.051 0.000 1.048 329 A HN 0.804 nan 8.150 nan 0.000 0.464 330 N N -0.092 118.534 118.700 -0.123 0.000 2.576 330 N HA 0.389 5.132 4.740 0.004 0.000 0.269 330 N C -0.794 174.901 175.510 0.307 0.000 1.058 330 N CA -0.284 52.819 53.050 0.088 0.000 0.860 330 N CB 0.987 39.567 38.487 0.155 0.000 1.249 330 N HN 0.742 nan 8.380 nan 0.000 0.525 331 H N 0.577 119.901 119.070 0.423 0.000 2.670 331 H HA 0.405 4.963 4.556 0.004 0.000 0.361 331 H C -1.138 174.326 175.328 0.226 0.000 1.169 331 H CA -0.827 55.415 56.048 0.323 0.000 1.198 331 H CB 2.274 32.083 29.762 0.078 0.000 1.700 331 H HN 0.352 nan 8.280 nan 0.000 0.542 332 F N 2.512 122.441 119.950 -0.036 0.000 2.449 332 F HA 0.467 4.997 4.527 0.004 0.000 0.342 332 F C -1.982 173.669 175.800 -0.249 0.000 1.127 332 F CA -0.840 57.010 58.000 -0.251 0.000 0.975 332 F CB 0.578 39.241 39.000 -0.562 0.000 1.146 332 F HN 0.309 nan 8.300 nan 0.000 0.444 333 F N 2.766 122.422 119.950 -0.491 0.000 2.556 333 F HA 0.428 4.958 4.527 0.004 0.000 0.314 333 F C 0.128 175.528 175.800 -0.666 0.000 1.106 333 F CA -1.274 56.562 58.000 -0.273 0.000 0.911 333 F CB 1.922 41.005 39.000 0.137 0.000 1.190 333 F HN 0.506 nan 8.300 nan 0.000 0.448 334 T N -1.222 113.131 114.554 -0.334 0.000 2.904 334 T HA 0.380 4.732 4.350 0.004 0.000 0.290 334 T C 1.096 175.570 174.700 -0.377 0.000 1.018 334 T CA -0.673 61.032 62.100 -0.659 0.000 1.075 334 T CB 1.351 69.735 68.868 -0.807 0.000 0.986 334 T HN 0.325 nan 8.240 nan 0.000 0.523 335 V N 2.992 122.624 119.914 -0.471 0.000 2.332 335 V HA -0.079 4.043 4.120 0.004 0.000 0.248 335 V C -0.471 175.531 176.094 -0.154 0.000 1.055 335 V CA 1.633 63.797 62.300 -0.226 0.000 1.038 335 V CB -1.681 30.057 31.823 -0.141 0.000 0.651 335 V HN 0.760 nan 8.190 nan 0.000 0.450 336 P HA -0.176 nan 4.420 nan 0.000 0.216 336 P C 1.720 179.044 177.300 0.040 0.000 1.150 336 P CA 1.376 64.458 63.100 -0.030 0.000 0.837 336 P CB -0.127 31.590 31.700 0.029 0.000 0.786 337 F N -0.051 119.825 119.950 -0.123 0.000 2.146 337 F HA -0.120 4.409 4.527 0.004 0.000 0.298 337 F C 2.009 177.766 175.800 -0.073 0.000 1.096 337 F CA 1.253 59.224 58.000 -0.048 0.000 1.275 337 F CB -1.106 37.879 39.000 -0.026 0.000 1.008 337 F HN -0.245 nan 8.300 nan 0.000 0.480 338 L N 0.037 121.137 121.223 -0.204 0.000 2.042 338 L HA -0.244 4.098 4.340 0.004 0.000 0.210 338 L C 2.825 179.543 176.870 -0.253 0.000 1.076 338 L CA 1.699 56.359 54.840 -0.300 0.000 0.749 338 L CB -0.569 41.411 42.059 -0.132 0.000 0.893 338 L HN 0.119 nan 8.230 nan 0.000 0.432 339 R N 0.151 120.549 120.500 -0.171 0.000 2.083 339 R HA -0.223 4.120 4.340 0.004 0.000 0.237 339 R C 1.797 177.971 176.300 -0.211 0.000 1.137 339 R CA 2.252 58.260 56.100 -0.153 0.000 0.951 339 R CB -0.265 29.977 30.300 -0.098 0.000 0.851 339 R HN 0.316 nan 8.270 nan 0.000 0.434 340 D N -0.190 120.078 120.400 -0.221 0.000 2.182 340 D HA -0.117 4.526 4.640 0.004 0.000 0.201 340 D C 1.866 177.838 176.300 -0.547 0.000 0.986 340 D CA 0.994 54.784 54.000 -0.350 0.000 0.847 340 D CB 0.023 40.708 40.800 -0.191 0.000 0.942 340 D HN 0.130 nan 8.370 nan 0.000 0.467 341 V N 0.151 119.814 119.914 -0.418 0.000 2.407 341 V HA -0.147 3.975 4.120 0.004 0.000 0.245 341 V C 2.511 178.403 176.094 -0.336 0.000 1.041 341 V CA 0.853 62.911 62.300 -0.403 0.000 1.040 341 V CB -0.234 31.191 31.823 -0.663 0.000 0.671 341 V HN 0.065 nan 8.190 nan 0.000 0.455 342 V N 0.884 120.648 119.914 -0.249 0.000 2.548 342 V HA -0.124 3.999 4.120 0.004 0.000 0.249 342 V C 1.878 177.876 176.094 -0.160 0.000 1.055 342 V CA 1.740 63.955 62.300 -0.142 0.000 1.065 342 V CB -0.673 31.090 31.823 -0.099 0.000 0.681 342 V HN 0.588 nan 8.190 nan 0.000 0.462 343 N N -1.081 117.489 118.700 -0.217 0.000 2.282 343 N HA 0.112 4.854 4.740 0.004 0.000 0.185 343 N C 1.065 176.417 175.510 -0.263 0.000 1.099 343 N CA 0.569 53.497 53.050 -0.202 0.000 0.878 343 N CB 1.502 39.883 38.487 -0.177 0.000 0.993 343 N HN 0.404 nan 8.380 nan 0.000 0.481 344 V N -1.220 118.449 119.914 -0.408 0.000 3.261 344 V HA 0.100 4.223 4.120 0.004 0.000 0.212 344 V C 1.173 176.977 176.094 -0.483 0.000 1.381 344 V CA 0.086 62.086 62.300 -0.500 0.000 1.322 344 V CB -0.227 31.138 31.823 -0.764 0.000 1.188 344 V HN 0.003 nan 8.190 nan 0.000 0.520 345 Y N 0.431 120.464 120.300 -0.445 0.000 2.337 345 Y HA -0.024 4.529 4.550 0.004 0.000 0.293 345 Y C 2.664 178.280 175.900 -0.473 0.000 1.123 345 Y CA 0.877 58.553 58.100 -0.708 0.000 1.201 345 Y CB 0.069 37.791 38.460 -1.229 0.000 1.011 345 Y HN 0.180 nan 8.280 nan 0.000 0.545 346 E N 1.208 121.289 120.200 -0.198 0.000 2.149 346 E HA -0.247 4.105 4.350 0.004 0.000 0.215 346 E C -0.731 175.844 176.600 -0.041 0.000 1.055 346 E CA 2.071 58.407 56.400 -0.108 0.000 0.870 346 E CB -1.396 28.267 29.700 -0.061 0.000 0.764 346 E HN 0.323 nan 8.360 nan 0.000 0.463 347 P HA -0.137 nan 4.420 nan 0.000 0.217 347 P C 1.093 178.428 177.300 0.059 0.000 1.148 347 P CA 1.566 64.692 63.100 0.044 0.000 0.828 347 P CB -0.180 31.543 31.700 0.038 0.000 0.783 348 Q N -1.063 118.760 119.800 0.038 0.000 2.369 348 Q HA 0.002 4.345 4.340 0.004 0.000 0.206 348 Q C 0.518 176.572 176.000 0.090 0.000 0.963 348 Q CA 0.185 56.049 55.803 0.101 0.000 0.894 348 Q CB -0.386 28.469 28.738 0.194 0.000 0.965 348 Q HN 0.334 nan 8.270 nan 0.000 0.475 349 L N 2.274 123.520 121.223 0.039 0.000 2.499 349 L HA -0.042 4.300 4.340 0.004 0.000 0.273 349 L C 0.464 177.218 176.870 -0.193 0.000 1.195 349 L CA 0.314 55.131 54.840 -0.039 0.000 0.882 349 L CB 0.221 42.245 42.059 -0.059 0.000 1.133 349 L HN 0.178 nan 8.230 nan 0.000 0.483 350 Q N 2.263 121.922 119.800 -0.236 0.000 2.193 350 Q HA 0.354 4.697 4.340 0.004 0.000 0.246 350 Q C -0.773 174.901 176.000 -0.544 0.000 0.959 350 Q CA -0.866 54.725 55.803 -0.353 0.000 0.904 350 Q CB 1.554 30.105 28.738 -0.312 0.000 1.238 350 Q HN 0.459 nan 8.270 nan 0.000 0.469 351 H N 1.120 119.937 119.070 -0.422 0.000 2.517 351 H HA 0.235 4.794 4.556 0.004 0.000 0.317 351 H C -0.444 174.579 175.328 -0.509 0.000 1.080 351 H CA -0.193 55.598 56.048 -0.428 0.000 1.301 351 H CB 0.704 30.232 29.762 -0.389 0.000 1.425 351 H HN 0.444 nan 8.280 nan 0.000 0.471 352 H N 2.052 120.884 119.070 -0.396 0.000 2.525 352 H HA 0.229 4.788 4.556 0.004 0.000 0.339 352 H C -0.015 175.169 175.328 -0.239 0.000 1.109 352 H CA -0.425 55.375 56.048 -0.413 0.000 1.352 352 H CB 1.779 31.036 29.762 -0.841 0.000 1.461 352 H HN 0.236 nan 8.280 nan 0.000 0.533 353 V N 1.236 121.106 119.914 -0.072 0.000 2.815 353 V HA 0.658 4.781 4.120 0.004 0.000 0.314 353 V C -0.120 175.979 176.094 0.009 0.000 1.064 353 V CA -0.793 61.482 62.300 -0.041 0.000 0.952 353 V CB 1.757 33.544 31.823 -0.060 0.000 1.020 353 V HN 0.941 nan 8.190 nan 0.000 0.439 354 A N 2.827 125.662 122.820 0.026 0.000 2.459 354 A HA 0.732 5.054 4.320 0.004 0.000 0.296 354 A C -0.894 176.724 177.584 0.056 0.000 1.039 354 A CA -0.639 51.429 52.037 0.051 0.000 0.698 354 A CB 1.527 20.562 19.000 0.058 0.000 1.261 354 A HN 0.738 nan 8.150 nan 0.000 0.405 355 Q N 1.265 121.124 119.800 0.099 0.000 2.373 355 Q HA 0.493 4.836 4.340 0.004 0.000 0.255 355 Q C -0.315 175.732 176.000 0.078 0.000 0.980 355 Q CA 0.546 56.422 55.803 0.121 0.000 0.882 355 Q CB 0.712 29.590 28.738 0.234 0.000 1.249 355 Q HN 0.515 nan 8.270 nan 0.000 0.438 356 K N 1.407 121.833 120.400 0.045 0.000 2.536 356 K HA 0.361 4.683 4.320 0.004 0.000 0.269 356 K C -1.265 175.360 176.600 0.042 0.000 0.965 356 K CA -0.795 55.515 56.287 0.039 0.000 0.860 356 K CB 1.687 34.196 32.500 0.015 0.000 1.423 356 K HN 0.364 nan 8.250 nan 0.000 0.438 357 K N 1.973 122.405 120.400 0.053 0.000 2.290 357 K HA 0.403 4.725 4.320 0.004 0.000 0.250 357 K C -0.245 176.392 176.600 0.061 0.000 1.092 357 K CA -0.213 56.113 56.287 0.065 0.000 1.006 357 K CB -0.010 32.533 32.500 0.072 0.000 1.549 357 K HN 0.362 nan 8.250 nan 0.000 0.436 358 I N 5.349 125.950 120.570 0.051 0.000 2.337 358 I HA 0.145 4.318 4.170 0.004 0.000 0.291 358 I C -1.821 174.391 176.117 0.157 0.000 1.046 358 I CA -2.324 59.015 61.300 0.065 0.000 1.324 358 I CB 0.494 38.505 38.000 0.019 0.000 1.409 358 I HN 0.277 nan 8.210 nan 0.000 0.494 359 P HA 0.030 nan 4.420 nan 0.000 0.267 359 P C -1.371 176.049 177.300 0.199 0.000 1.205 359 P CA 0.453 63.644 63.100 0.151 0.000 0.765 359 P CB 0.325 32.056 31.700 0.051 0.000 0.828 360 Y N 1.087 121.380 120.300 -0.012 0.000 2.805 360 Y HA 0.697 5.249 4.550 0.004 0.000 0.323 360 Y C -0.810 175.067 175.900 -0.038 0.000 1.279 360 Y CA -1.525 56.560 58.100 -0.025 0.000 1.103 360 Y CB 1.081 39.537 38.460 -0.007 0.000 1.324 360 Y HN 0.181 nan 8.280 nan 0.000 0.498 361 V N 0.494 120.354 119.914 -0.090 0.000 2.340 361 V HA 0.346 4.468 4.120 0.004 0.000 0.277 361 V C -0.469 175.635 176.094 0.017 0.000 1.017 361 V CA -0.694 61.487 62.300 -0.198 0.000 0.820 361 V CB 0.117 31.751 31.823 -0.315 0.000 1.028 361 V HN 0.941 nan 8.190 nan 0.000 0.436 362 D N 3.409 123.860 120.400 0.085 0.000 2.348 362 D HA 0.132 4.774 4.640 0.004 0.000 0.272 362 D C 0.436 176.939 176.300 0.338 0.000 1.237 362 D CA 0.142 54.328 54.000 0.309 0.000 1.042 362 D CB 0.504 41.521 40.800 0.362 0.000 1.117 362 D HN 0.613 nan 8.370 nan 0.000 0.548 363 T N -3.907 110.816 114.554 0.282 0.000 2.860 363 T HA 0.166 4.519 4.350 0.004 0.000 0.299 363 T C 0.271 175.078 174.700 0.178 0.000 1.045 363 T CA -0.342 61.897 62.100 0.230 0.000 1.071 363 T CB 0.763 69.707 68.868 0.125 0.000 0.985 363 T HN 0.501 nan 8.240 nan 0.000 0.537 364 Q N -0.248 119.613 119.800 0.101 0.000 2.493 364 Q HA -0.102 4.241 4.340 0.004 0.000 0.260 364 Q C 1.151 177.234 176.000 0.139 0.000 0.905 364 Q CA 1.481 57.327 55.803 0.071 0.000 1.140 364 Q CB -2.058 26.713 28.738 0.056 0.000 1.435 364 Q HN 1.833 nan 8.270 nan 0.000 0.581 365 G N -0.374 108.618 108.800 0.320 0.000 2.296 365 G HA2 -0.372 3.590 3.960 0.004 0.000 0.282 365 G HA3 -0.372 3.590 3.960 0.004 0.000 0.282 365 G C -0.056 174.930 174.900 0.142 0.000 1.014 365 G CA 0.695 46.031 45.100 0.392 0.000 0.812 365 G HN 0.388 nan 8.290 nan 0.000 0.508 366 Q N -0.457 119.401 119.800 0.096 0.000 2.295 366 Q HA 0.664 5.006 4.340 0.004 0.000 0.259 366 Q C 0.086 176.017 176.000 -0.115 0.000 0.976 366 Q CA -0.437 55.364 55.803 -0.004 0.000 0.923 366 Q CB 0.845 29.586 28.738 0.005 0.000 1.185 366 Q HN 0.485 nan 8.270 nan 0.000 0.410 367 L N 5.291 126.430 121.223 -0.140 0.000 2.317 367 L HA 0.720 5.063 4.340 0.004 0.000 0.281 367 L C -1.094 175.631 176.870 -0.241 0.000 1.024 367 L CA -0.846 53.858 54.840 -0.225 0.000 0.810 367 L CB 1.125 43.098 42.059 -0.144 0.000 1.240 367 L HN 0.844 nan 8.230 nan 0.000 0.427 368 I N 3.219 123.569 120.570 -0.366 0.000 2.984 368 I HA 0.356 4.528 4.170 0.004 0.000 0.303 368 I C -1.605 174.423 176.117 -0.148 0.000 1.381 368 I CA -0.562 60.597 61.300 -0.234 0.000 0.988 368 I CB 2.100 39.976 38.000 -0.206 0.000 1.307 368 I HN 0.359 nan 8.210 nan 0.000 0.460 369 K N 5.503 125.890 120.400 -0.022 0.000 2.281 369 K HA 0.503 4.825 4.320 0.004 0.000 0.272 369 K C -2.523 174.142 176.600 0.109 0.000 1.048 369 K CA -1.879 54.437 56.287 0.049 0.000 0.898 369 K CB 0.674 33.192 32.500 0.029 0.000 1.128 369 K HN 0.323 nan 8.250 nan 0.000 0.460 370 P HA -0.062 nan 4.420 nan 0.000 0.265 370 P C 0.335 177.704 177.300 0.115 0.000 1.187 370 P CA 0.273 63.488 63.100 0.191 0.000 0.766 370 P CB 0.571 32.380 31.700 0.180 0.000 0.820 371 D N 1.694 122.155 120.400 0.101 0.000 2.389 371 D HA 0.038 4.680 4.640 0.004 0.000 0.206 371 D C -0.011 176.331 176.300 0.069 0.000 1.055 371 D CA 0.514 54.557 54.000 0.073 0.000 0.856 371 D CB 0.494 41.331 40.800 0.062 0.000 0.957 371 D HN 0.330 nan 8.370 nan 0.000 0.509 372 K N 0.682 121.131 120.400 0.082 0.000 2.469 372 K HA 0.450 4.772 4.320 0.004 0.000 0.254 372 K C -2.925 173.742 176.600 0.112 0.000 0.939 372 K CA -2.108 54.227 56.287 0.081 0.000 0.812 372 K CB 2.601 35.139 32.500 0.064 0.000 1.301 372 K HN -0.251 nan 8.250 nan 0.000 0.433 373 P HA -0.076 nan 4.420 nan 0.000 0.261 373 P C -0.338 177.138 177.300 0.293 0.000 1.173 373 P CA 0.354 63.575 63.100 0.202 0.000 0.760 373 P CB 0.365 32.227 31.700 0.270 0.000 0.783 374 N N 1.930 120.725 118.700 0.158 0.000 2.170 374 N HA 0.199 4.942 4.740 0.004 0.000 0.222 374 N C 0.416 175.787 175.510 -0.232 0.000 1.218 374 N CA -0.107 52.999 53.050 0.094 0.000 0.889 374 N CB 0.869 39.293 38.487 -0.105 0.000 1.083 374 N HN 0.455 nan 8.380 nan 0.000 0.520 375 G N 0.427 108.920 108.800 -0.512 0.000 2.427 375 G HA2 0.457 4.419 3.960 0.004 0.000 0.306 375 G HA3 0.457 4.419 3.960 0.004 0.000 0.306 375 G C -1.889 172.667 174.900 -0.573 0.000 1.280 375 G CA -0.427 44.195 45.100 -0.797 0.000 0.837 375 G HN 0.213 nan 8.290 nan 0.000 0.482 376 I N -1.834 118.533 120.570 -0.339 0.000 3.042 376 I HA 0.894 5.066 4.170 0.004 0.000 0.310 376 I C -1.223 174.860 176.117 -0.057 0.000 1.117 376 I CA -1.429 59.789 61.300 -0.138 0.000 1.003 376 I CB 1.891 39.849 38.000 -0.069 0.000 1.228 376 I HN 0.746 nan 8.210 nan 0.000 0.443 377 K N 3.817 124.204 120.400 -0.023 0.000 2.318 377 K HA 0.732 5.054 4.320 0.004 0.000 0.249 377 K C -1.563 175.028 176.600 -0.016 0.000 0.942 377 K CA -0.753 55.528 56.287 -0.011 0.000 0.808 377 K CB 2.187 34.689 32.500 0.004 0.000 1.189 377 K HN 0.816 nan 8.250 nan 0.000 0.428 378 M N 2.681 122.261 119.600 -0.032 0.000 2.456 378 M HA 0.374 4.856 4.480 0.004 0.000 0.324 378 M C -1.061 175.244 176.300 0.008 0.000 1.124 378 M CA -0.517 54.748 55.300 -0.059 0.000 0.959 378 M CB 2.176 34.643 32.600 -0.222 0.000 1.692 378 M HN 0.568 nan 8.290 nan 0.000 0.444 379 E N 1.685 121.900 120.200 0.026 0.000 2.366 379 E HA 0.436 4.789 4.350 0.004 0.000 0.278 379 E C -1.527 174.979 176.600 -0.157 0.000 0.923 379 E CA -0.957 55.443 56.400 -0.001 0.000 0.761 379 E CB 3.196 32.913 29.700 0.029 0.000 1.231 379 E HN 0.480 nan 8.360 nan 0.000 0.443 380 K N 1.368 121.680 120.400 -0.148 0.000 2.123 380 K HA 0.498 4.820 4.320 0.004 0.000 0.259 380 K C -1.045 175.513 176.600 -0.069 0.000 0.960 380 K CA -0.661 55.486 56.287 -0.233 0.000 0.872 380 K CB 0.935 33.299 32.500 -0.227 0.000 1.079 380 K HN 0.208 nan 8.250 nan 0.000 0.440 381 F N 1.215 121.027 119.950 -0.230 0.000 2.443 381 F HA 0.161 4.690 4.527 0.004 0.000 0.335 381 F C 1.276 176.804 175.800 -0.454 0.000 1.104 381 F CA -1.417 56.251 58.000 -0.553 0.000 1.013 381 F CB 1.277 39.589 39.000 -1.147 0.000 1.136 381 F HN 0.245 nan 8.300 nan 0.000 0.470 382 V N 4.642 124.453 119.914 -0.172 0.000 2.568 382 V HA -0.287 3.835 4.120 0.004 0.000 0.253 382 V C 1.761 177.942 176.094 0.145 0.000 1.072 382 V CA 2.159 64.514 62.300 0.091 0.000 1.084 382 V CB -0.715 31.202 31.823 0.157 0.000 0.676 382 V HN 0.641 nan 8.190 nan 0.000 0.469 383 F N -0.734 119.193 119.950 -0.038 0.000 2.797 383 F HA 0.327 4.856 4.527 0.004 0.000 0.302 383 F C 1.372 176.823 175.800 -0.582 0.000 1.130 383 F CA -0.244 57.313 58.000 -0.738 0.000 1.387 383 F CB -1.161 37.213 39.000 -1.044 0.000 1.107 383 F HN 0.143 nan 8.300 nan 0.000 0.577 384 D N 1.777 122.185 120.400 0.013 0.000 2.371 384 D HA -0.024 4.618 4.640 0.004 0.000 0.234 384 D C 2.058 178.354 176.300 -0.006 0.000 1.049 384 D CA 0.886 54.931 54.000 0.077 0.000 0.907 384 D CB -0.270 40.591 40.800 0.101 0.000 0.891 384 D HN 0.659 nan 8.370 nan 0.000 0.531 385 I N -4.178 116.404 120.570 0.020 0.000 3.941 385 I HA 0.042 4.214 4.170 0.004 0.000 0.321 385 I C 1.353 177.637 176.117 0.277 0.000 1.284 385 I CA -0.111 61.245 61.300 0.093 0.000 1.226 385 I CB -0.065 37.817 38.000 -0.196 0.000 1.045 385 I HN -0.306 nan 8.210 nan 0.000 0.420 386 F N 3.413 123.418 119.950 0.091 0.000 2.147 386 F HA -0.269 4.261 4.527 0.004 0.000 0.301 386 F C 2.804 178.496 175.800 -0.180 0.000 1.084 386 F CA 1.839 59.841 58.000 0.003 0.000 1.268 386 F CB -1.252 37.613 39.000 -0.226 0.000 1.009 386 F HN 0.452 nan 8.300 nan 0.000 0.486 387 Q N -0.868 118.841 119.800 -0.152 0.000 2.439 387 Q HA -0.183 4.159 4.340 0.004 0.000 0.211 387 Q C 1.398 177.104 176.000 -0.490 0.000 0.978 387 Q CA 1.564 57.128 55.803 -0.398 0.000 0.897 387 Q CB -0.879 27.495 28.738 -0.606 0.000 0.956 387 Q HN 0.418 nan 8.270 nan 0.000 0.483 388 F N 0.805 120.739 119.950 -0.027 0.000 2.721 388 F HA 0.407 4.936 4.527 0.004 0.000 0.301 388 F C 1.165 177.018 175.800 0.088 0.000 1.096 388 F CA -0.500 57.382 58.000 -0.195 0.000 1.308 388 F CB 0.400 38.968 39.000 -0.721 0.000 1.086 388 F HN 0.067 nan 8.300 nan 0.000 0.587 389 A N 0.707 123.683 122.820 0.260 0.000 2.445 389 A HA 0.177 4.499 4.320 0.004 0.000 0.242 389 A C 1.140 178.723 177.584 -0.002 0.000 1.075 389 A CA -0.247 51.737 52.037 -0.088 0.000 0.777 389 A CB 0.559 19.428 19.000 -0.218 0.000 1.013 389 A HN 0.335 nan 8.150 nan 0.000 0.493 390 K N -0.074 120.295 120.400 -0.053 0.000 2.098 390 K HA 0.049 4.371 4.320 0.004 0.000 0.203 390 K C 0.369 176.987 176.600 0.030 0.000 1.051 390 K CA 1.278 57.584 56.287 0.031 0.000 0.957 390 K CB 0.099 32.629 32.500 0.051 0.000 0.738 390 K HN 0.534 nan 8.250 nan 0.000 0.447 391 K N 0.605 120.994 120.400 -0.017 0.000 2.621 391 K HA 0.212 4.534 4.320 0.004 0.000 0.233 391 K C -1.793 174.789 176.600 -0.029 0.000 0.972 391 K CA -0.404 55.877 56.287 -0.008 0.000 0.988 391 K CB 0.378 32.854 32.500 -0.040 0.000 1.187 391 K HN -0.139 nan 8.250 nan 0.000 0.471 392 F N 5.268 125.124 119.950 -0.157 0.000 2.408 392 F HA 0.557 5.086 4.527 0.004 0.000 0.344 392 F C -0.436 175.171 175.800 -0.322 0.000 1.112 392 F CA -0.521 57.321 58.000 -0.264 0.000 1.096 392 F CB 0.793 39.612 39.000 -0.301 0.000 1.129 392 F HN 0.232 nan 8.300 nan 0.000 0.486 393 V N 4.016 123.297 119.914 -1.056 0.000 3.074 393 V HA 0.865 4.987 4.120 0.004 0.000 0.314 393 V C -1.400 174.189 176.094 -0.842 0.000 1.117 393 V CA -0.987 60.877 62.300 -0.727 0.000 1.014 393 V CB 1.517 33.111 31.823 -0.382 0.000 1.057 393 V HN 0.561 nan 8.190 nan 0.000 0.438 394 V N 2.107 121.824 119.914 -0.329 0.000 2.588 394 V HA 0.477 4.600 4.120 0.004 0.000 0.304 394 V C -1.430 174.638 176.094 -0.044 0.000 1.042 394 V CA -0.427 61.755 62.300 -0.196 0.000 0.877 394 V CB 1.683 33.419 31.823 -0.143 0.000 0.996 394 V HN 0.928 nan 8.190 nan 0.000 0.425 395 Y N 3.324 123.468 120.300 -0.260 0.000 2.345 395 Y HA 0.493 5.045 4.550 0.004 0.000 0.331 395 Y C 0.085 175.758 175.900 -0.379 0.000 0.959 395 Y CA -0.806 57.001 58.100 -0.489 0.000 1.204 395 Y CB 1.439 39.605 38.460 -0.490 0.000 1.135 395 Y HN 0.765 nan 8.280 nan 0.000 0.477 396 E N 5.874 125.674 120.200 -0.666 0.000 2.167 396 E HA 0.538 4.890 4.350 0.004 0.000 0.284 396 E C -1.058 175.193 176.600 -0.582 0.000 1.016 396 E CA -0.601 55.504 56.400 -0.492 0.000 0.817 396 E CB 0.755 30.269 29.700 -0.309 0.000 1.080 396 E HN 0.556 nan 8.360 nan 0.000 0.397 397 V N 1.692 121.369 119.914 -0.396 0.000 3.158 397 V HA 0.553 4.676 4.120 0.004 0.000 0.315 397 V C -0.358 175.648 176.094 -0.148 0.000 1.148 397 V CA -1.152 60.979 62.300 -0.281 0.000 1.042 397 V CB 1.321 33.022 31.823 -0.203 0.000 1.101 397 V HN 0.576 nan 8.190 nan 0.000 0.448 398 L N 1.902 123.077 121.223 -0.080 0.000 2.305 398 L HA 0.501 4.844 4.340 0.004 0.000 0.281 398 L C 1.919 178.794 176.870 0.007 0.000 1.085 398 L CA -0.508 54.313 54.840 -0.032 0.000 0.813 398 L CB 1.329 43.380 42.059 -0.012 0.000 1.157 398 L HN 0.941 nan 8.230 nan 0.000 0.436 399 R N 2.490 123.010 120.500 0.032 0.000 2.115 399 R HA -0.141 4.202 4.340 0.004 0.000 0.230 399 R C 1.420 177.760 176.300 0.065 0.000 1.111 399 R CA 1.409 57.570 56.100 0.102 0.000 0.976 399 R CB -0.212 30.186 30.300 0.164 0.000 0.870 399 R HN 0.770 nan 8.270 nan 0.000 0.445 400 E N 1.102 121.317 120.200 0.025 0.000 2.268 400 E HA -0.189 4.163 4.350 0.004 0.000 0.195 400 E C 0.488 177.087 176.600 -0.002 0.000 0.995 400 E CA 1.180 57.578 56.400 -0.004 0.000 0.836 400 E CB -0.117 29.578 29.700 -0.008 0.000 0.763 400 E HN 0.509 nan 8.360 nan 0.000 0.491 401 D N 0.932 121.353 120.400 0.034 0.000 2.327 401 D HA 0.029 4.671 4.640 0.004 0.000 0.205 401 D C 0.941 177.278 176.300 0.062 0.000 0.989 401 D CA 0.538 54.577 54.000 0.066 0.000 0.873 401 D CB 0.373 41.232 40.800 0.098 0.000 0.955 401 D HN 0.406 nan 8.370 nan 0.000 0.515 402 E N -0.972 119.268 120.200 0.066 0.000 2.702 402 E HA 0.099 4.452 4.350 0.004 0.000 0.225 402 E C -0.558 176.149 176.600 0.178 0.000 0.942 402 E CA -0.253 56.199 56.400 0.087 0.000 1.210 402 E CB 1.512 31.249 29.700 0.063 0.000 1.143 402 E HN -0.024 nan 8.360 nan 0.000 0.544 403 F N 1.571 121.496 119.950 -0.042 0.000 2.730 403 F HA 0.404 4.934 4.527 0.004 0.000 0.335 403 F C -1.387 174.381 175.800 -0.053 0.000 1.212 403 F CA -0.760 57.215 58.000 -0.042 0.000 1.016 403 F CB 2.048 41.024 39.000 -0.039 0.000 1.290 403 F HN -0.226 nan 8.300 nan 0.000 0.495 404 S N 8.458 123.849 115.700 -0.516 0.000 2.385 404 S HA 0.435 4.907 4.470 0.004 0.000 0.191 404 S C -3.093 171.200 174.600 -0.511 0.000 1.196 404 S CA -0.975 56.907 58.200 -0.531 0.000 1.178 404 S CB 0.751 63.787 63.200 -0.273 0.000 1.258 404 S HN 0.437 nan 8.310 nan 0.000 0.430 405 P HA 0.310 nan 4.420 nan 0.000 0.274 405 P C -0.871 176.260 177.300 -0.282 0.000 1.231 405 P CA -0.715 62.140 63.100 -0.409 0.000 0.790 405 P CB 0.852 32.313 31.700 -0.398 0.000 0.951 406 L N 3.064 124.158 121.223 -0.214 0.000 2.295 406 L HA 0.352 4.695 4.340 0.004 0.000 0.281 406 L C 0.605 177.353 176.870 -0.204 0.000 1.018 406 L CA 0.319 55.023 54.840 -0.227 0.000 0.841 406 L CB 0.649 42.552 42.059 -0.260 0.000 1.218 406 L HN 0.215 nan 8.230 nan 0.000 0.424 407 K N 2.510 122.797 120.400 -0.187 0.000 2.511 407 K HA 0.389 4.712 4.320 0.004 0.000 0.206 407 K C -0.340 176.176 176.600 -0.140 0.000 1.333 407 K CA 0.059 56.258 56.287 -0.147 0.000 0.957 407 K CB 0.658 33.084 32.500 -0.123 0.000 1.172 407 K HN 0.529 nan 8.250 nan 0.000 0.547 408 N N 0.561 119.171 118.700 -0.151 0.000 2.312 408 N HA 0.421 5.164 4.740 0.004 0.000 0.296 408 N C -0.894 174.534 175.510 -0.137 0.000 1.193 408 N CA -0.460 52.516 53.050 -0.124 0.000 0.773 408 N CB 2.072 40.501 38.487 -0.096 0.000 1.435 408 N HN -0.050 nan 8.380 nan 0.000 0.484 409 A N 0.032 122.791 122.820 -0.101 0.000 2.313 409 A HA 0.189 4.511 4.320 0.004 0.000 0.261 409 A C 0.727 178.277 177.584 -0.057 0.000 1.090 409 A CA -0.195 51.795 52.037 -0.078 0.000 0.807 409 A CB 0.214 19.189 19.000 -0.042 0.000 1.055 409 A HN 0.645 nan 8.150 nan 0.000 0.492 410 D N 0.510 120.891 120.400 -0.033 0.000 2.178 410 D HA -0.131 4.511 4.640 0.004 0.000 0.201 410 D C 2.101 178.387 176.300 -0.024 0.000 0.980 410 D CA 1.966 55.951 54.000 -0.026 0.000 0.842 410 D CB -0.132 40.666 40.800 -0.004 0.000 0.948 410 D HN 0.634 nan 8.370 nan 0.000 0.472 411 S N -0.594 115.095 115.700 -0.017 0.000 2.607 411 S HA -0.027 4.445 4.470 0.004 0.000 0.224 411 S C 1.305 175.893 174.600 -0.020 0.000 0.969 411 S CA 0.165 58.356 58.200 -0.015 0.000 0.927 411 S CB 0.218 63.413 63.200 -0.008 0.000 0.772 411 S HN 0.198 nan 8.310 nan 0.000 0.533 412 Q N 2.128 121.911 119.800 -0.028 0.000 3.038 412 Q HA 0.241 4.584 4.340 0.004 0.000 0.231 412 Q C 1.503 177.485 176.000 -0.030 0.000 1.160 412 Q CA 0.241 56.027 55.803 -0.029 0.000 0.391 412 Q CB -0.112 28.604 28.738 -0.036 0.000 5.612 412 Q HN 0.561 nan 8.270 nan 0.000 0.328 413 N N -0.051 118.628 118.700 -0.035 0.000 2.571 413 N HA -0.029 4.714 4.740 0.004 0.000 0.189 413 N C 0.457 175.942 175.510 -0.042 0.000 1.154 413 N CA 1.041 54.071 53.050 -0.034 0.000 0.907 413 N CB 0.375 38.842 38.487 -0.033 0.000 0.977 413 N HN 0.743 nan 8.380 nan 0.000 0.449 414 G N -0.219 108.553 108.800 -0.048 0.000 2.141 414 G HA2 -0.270 3.692 3.960 0.004 0.000 0.242 414 G HA3 -0.270 3.692 3.960 0.004 0.000 0.242 414 G C -0.204 174.657 174.900 -0.065 0.000 0.982 414 G CA 0.349 45.417 45.100 -0.053 0.000 0.662 414 G HN 0.522 nan 8.290 nan 0.000 0.527 415 K N -0.280 120.075 120.400 -0.076 0.000 2.512 415 K HA 0.488 4.811 4.320 0.004 0.000 0.263 415 K C -0.522 176.009 176.600 -0.114 0.000 0.966 415 K CA -0.744 55.488 56.287 -0.092 0.000 0.851 415 K CB 1.434 33.881 32.500 -0.088 0.000 1.395 415 K HN -0.022 nan 8.250 nan 0.000 0.440 416 D N 1.596 121.912 120.400 -0.140 0.000 2.697 416 D HA -0.192 4.450 4.640 0.004 0.000 0.235 416 D C -0.730 175.471 176.300 -0.164 0.000 1.167 416 D CA 1.224 55.119 54.000 -0.175 0.000 0.656 416 D CB -1.313 39.376 40.800 -0.185 0.000 1.025 416 D HN 0.682 nan 8.370 nan 0.000 0.419 417 N N -2.599 116.015 118.700 -0.143 0.000 2.653 417 N HA 0.575 5.317 4.740 0.004 0.000 0.294 417 N C -2.386 173.046 175.510 -0.130 0.000 1.305 417 N CA -1.861 51.105 53.050 -0.140 0.000 0.827 417 N CB 0.573 39.002 38.487 -0.097 0.000 1.415 417 N HN -0.313 nan 8.380 nan 0.000 0.546 418 P HA -0.107 nan 4.420 nan 0.000 0.216 418 P C 0.769 178.067 177.300 -0.003 0.000 1.150 418 P CA 1.913 64.985 63.100 -0.047 0.000 0.843 418 P CB -0.022 31.721 31.700 0.072 0.000 0.787 419 T N -1.001 113.562 114.554 0.014 0.000 2.708 419 T HA -0.151 4.202 4.350 0.004 0.000 0.266 419 T C 1.862 176.628 174.700 0.110 0.000 1.037 419 T CA 2.293 64.443 62.100 0.082 0.000 1.146 419 T CB -1.356 67.542 68.868 0.050 0.000 0.865 419 T HN 0.338 nan 8.240 nan 0.000 0.435 420 T N 0.802 115.356 114.554 -0.001 0.000 2.904 420 T HA 0.150 4.503 4.350 0.004 0.000 0.267 420 T C 2.250 176.918 174.700 -0.053 0.000 1.059 420 T CA 0.961 63.043 62.100 -0.030 0.000 1.137 420 T CB -0.513 68.300 68.868 -0.092 0.000 0.879 420 T HN 0.324 nan 8.240 nan 0.000 0.467 421 A N 3.470 126.239 122.820 -0.085 0.000 1.845 421 A HA -0.117 4.205 4.320 0.004 0.000 0.215 421 A C 2.564 180.080 177.584 -0.114 0.000 1.195 421 A CA 2.005 53.971 52.037 -0.118 0.000 0.616 421 A CB -0.763 18.163 19.000 -0.122 0.000 0.832 421 A HN 0.761 nan 8.150 nan 0.000 0.443 422 R N -1.313 119.131 120.500 -0.094 0.000 2.120 422 R HA -0.155 4.187 4.340 0.004 0.000 0.234 422 R C 1.850 177.999 176.300 -0.250 0.000 1.123 422 R CA 1.949 57.948 56.100 -0.169 0.000 0.975 422 R CB -0.834 29.363 30.300 -0.171 0.000 0.866 422 R HN 0.602 nan 8.270 nan 0.000 0.446 423 H N 0.679 119.669 119.070 -0.134 0.000 2.428 423 H HA 0.148 4.707 4.556 0.004 0.000 0.296 423 H C 2.229 177.454 175.328 -0.172 0.000 1.062 423 H CA 1.652 57.613 56.048 -0.144 0.000 1.350 423 H CB 0.048 29.738 29.762 -0.121 0.000 1.403 423 H HN 0.457 nan 8.280 nan 0.000 0.533 424 A N 0.502 123.276 122.820 -0.076 0.000 1.898 424 A HA -0.117 4.205 4.320 0.004 0.000 0.216 424 A C 2.280 179.723 177.584 -0.234 0.000 1.181 424 A CA 1.300 53.256 52.037 -0.136 0.000 0.620 424 A CB -0.738 18.176 19.000 -0.142 0.000 0.819 424 A HN 0.436 nan 8.150 nan 0.000 0.442 425 L N -0.907 120.138 121.223 -0.296 0.000 2.027 425 L HA -0.135 4.207 4.340 0.004 0.000 0.206 425 L C 2.630 179.131 176.870 -0.615 0.000 1.074 425 L CA 1.673 56.214 54.840 -0.498 0.000 0.745 425 L CB -0.226 41.556 42.059 -0.461 0.000 0.898 425 L HN 0.401 nan 8.230 nan 0.000 0.433 426 M N -1.382 117.971 119.600 -0.412 0.000 2.213 426 M HA -0.193 4.290 4.480 0.004 0.000 0.263 426 M C 2.506 178.665 176.300 -0.234 0.000 1.062 426 M CA 1.687 56.793 55.300 -0.323 0.000 1.105 426 M CB -0.406 32.027 32.600 -0.278 0.000 1.385 426 M HN 0.372 nan 8.290 nan 0.000 0.417 427 S N 0.842 116.422 115.700 -0.201 0.000 2.387 427 S HA -0.106 4.367 4.470 0.004 0.000 0.226 427 S C 1.759 176.288 174.600 -0.118 0.000 1.026 427 S CA 0.827 58.965 58.200 -0.102 0.000 0.972 427 S CB -0.127 63.029 63.200 -0.075 0.000 0.814 427 S HN 0.382 nan 8.310 nan 0.000 0.477 428 L N 1.578 122.636 121.223 -0.274 0.000 2.056 428 L HA -0.003 4.339 4.340 0.004 0.000 0.207 428 L C 2.136 178.637 176.870 -0.614 0.000 1.078 428 L CA 2.124 56.722 54.840 -0.404 0.000 0.749 428 L CB -0.979 40.788 42.059 -0.488 0.000 0.901 428 L HN 0.335 nan 8.230 nan 0.000 0.433 429 H N -1.403 117.227 119.070 -0.732 0.000 2.389 429 H HA -0.140 4.418 4.556 0.004 0.000 0.299 429 H C 2.182 177.392 175.328 -0.197 0.000 1.081 429 H CA 1.603 57.262 56.048 -0.648 0.000 1.345 429 H CB -0.655 28.859 29.762 -0.414 0.000 1.393 429 H HN 0.572 nan 8.280 nan 0.000 0.520 430 H N -0.028 118.983 119.070 -0.099 0.000 2.352 430 H HA -0.131 4.427 4.556 0.004 0.000 0.299 430 H C 1.798 177.159 175.328 0.055 0.000 1.097 430 H CA 1.739 57.743 56.048 -0.074 0.000 1.311 430 H CB -0.248 29.360 29.762 -0.258 0.000 1.377 430 H HN 0.287 nan 8.280 nan 0.000 0.504 431 C N 0.355 119.536 119.300 -0.198 0.000 2.440 431 C HA -0.137 4.326 4.460 0.004 0.000 0.278 431 C C 2.604 177.640 174.990 0.076 0.000 1.295 431 C CA 0.307 59.239 59.018 -0.144 0.000 1.738 431 C CB -1.516 26.203 27.740 -0.035 0.000 1.987 431 C HN 0.701 nan 8.230 nan 0.000 0.492 432 W N 0.804 122.087 121.300 -0.027 0.000 2.335 432 W HA -0.100 4.562 4.660 0.003 0.000 0.311 432 W C 2.353 178.845 176.519 -0.045 0.000 1.213 432 W CA 0.914 58.238 57.345 -0.034 0.000 1.274 432 W CB -1.621 27.808 29.460 -0.052 0.000 1.148 432 W HN 0.134 nan 8.180 nan 0.000 0.498 433 V N 0.731 120.775 119.914 0.217 0.000 2.255 433 V HA -0.328 3.794 4.120 0.004 0.000 0.247 433 V C 2.394 178.516 176.094 0.046 0.000 1.051 433 V CA 1.850 64.221 62.300 0.119 0.000 1.018 433 V CB -1.260 30.679 31.823 0.193 0.000 0.641 433 V HN 0.094 nan 8.190 nan 0.000 0.445 434 L N 0.182 121.422 121.223 0.027 0.000 2.012 434 L HA -0.179 4.163 4.340 0.004 0.000 0.210 434 L C 2.346 179.198 176.870 -0.030 0.000 1.073 434 L CA 1.643 56.463 54.840 -0.035 0.000 0.748 434 L CB -0.898 41.130 42.059 -0.051 0.000 0.891 434 L HN 0.393 nan 8.230 nan 0.000 0.431 435 N N 0.325 119.035 118.700 0.017 0.000 2.520 435 N HA -0.080 4.662 4.740 0.004 0.000 0.185 435 N C 1.433 176.947 175.510 0.006 0.000 1.068 435 N CA 1.174 54.238 53.050 0.024 0.000 0.911 435 N CB 0.031 38.553 38.487 0.059 0.000 0.961 435 N HN 0.297 nan 8.380 nan 0.000 0.446 436 A N -0.564 122.258 122.820 0.003 0.000 2.345 436 A HA 0.484 4.806 4.320 0.004 0.000 0.225 436 A C 1.399 178.968 177.584 -0.025 0.000 1.243 436 A CA 0.504 52.537 52.037 -0.006 0.000 0.875 436 A CB -0.071 18.934 19.000 0.008 0.000 0.929 436 A HN 0.237 nan 8.150 nan 0.000 0.502 437 G N -1.633 107.125 108.800 -0.071 0.000 2.157 437 G HA2 -0.041 3.921 3.960 0.004 0.000 0.239 437 G HA3 -0.041 3.921 3.960 0.004 0.000 0.239 437 G C 0.709 175.434 174.900 -0.292 0.000 0.982 437 G CA 0.230 45.249 45.100 -0.135 0.000 0.650 437 G HN 1.325 nan 8.290 nan 0.000 0.527 438 G N -1.061 107.596 108.800 -0.238 0.000 2.580 438 G HA2 0.609 4.572 3.960 0.004 0.000 0.278 438 G HA3 0.609 4.572 3.960 0.004 0.000 0.278 438 G C -0.504 174.083 174.900 -0.521 0.000 1.212 438 G CA -0.354 44.621 45.100 -0.208 0.000 0.939 438 G HN 0.439 nan 8.290 nan 0.000 0.513 439 H N -1.272 117.778 119.070 -0.033 0.000 2.961 439 H HA 0.400 4.959 4.556 0.004 0.000 0.371 439 H C -1.392 173.793 175.328 -0.238 0.000 1.190 439 H CA -0.477 55.541 56.048 -0.050 0.000 1.138 439 H CB 1.982 31.716 29.762 -0.047 0.000 1.816 439 H HN 0.332 nan 8.280 nan 0.000 0.551 440 F N 1.705 121.814 119.950 0.265 0.000 2.522 440 F HA 0.515 5.044 4.527 0.004 0.000 0.324 440 F C 0.543 176.397 175.800 0.089 0.000 1.077 440 F CA -0.779 57.335 58.000 0.189 0.000 0.944 440 F CB 1.570 40.698 39.000 0.213 0.000 1.175 440 F HN 0.327 nan 8.300 nan 0.000 0.468 441 I N -0.854 119.801 120.570 0.141 0.000 2.865 441 I HA 0.603 4.775 4.170 0.004 0.000 0.302 441 I C -1.191 174.982 176.117 0.094 0.000 1.140 441 I CA -1.163 60.162 61.300 0.042 0.000 1.021 441 I CB 2.089 40.022 38.000 -0.112 0.000 1.233 441 I HN 0.474 nan 8.210 nan 0.000 0.427 442 D N 2.353 122.825 120.400 0.119 0.000 2.447 442 D HA 0.138 4.781 4.640 0.004 0.000 0.265 442 D C 0.609 177.050 176.300 0.235 0.000 1.250 442 D CA -0.197 53.900 54.000 0.163 0.000 1.046 442 D CB 0.593 41.458 40.800 0.107 0.000 1.095 442 D HN 0.660 nan 8.370 nan 0.000 0.555 443 E N -0.952 119.363 120.200 0.192 0.000 2.209 443 E HA -0.134 4.218 4.350 0.004 0.000 0.196 443 E C 1.065 177.743 176.600 0.131 0.000 0.993 443 E CA 1.051 57.541 56.400 0.149 0.000 0.819 443 E CB -0.201 29.537 29.700 0.064 0.000 0.745 443 E HN 0.343 nan 8.360 nan 0.000 0.477 444 N N -0.792 117.974 118.700 0.109 0.000 2.412 444 N HA 0.053 4.795 4.740 0.004 0.000 0.184 444 N C 0.834 176.395 175.510 0.084 0.000 1.101 444 N CA 0.940 54.037 53.050 0.077 0.000 0.881 444 N CB 1.150 39.667 38.487 0.050 0.000 0.969 444 N HN 0.273 nan 8.380 nan 0.000 0.459 445 G N 0.226 109.095 108.800 0.115 0.000 2.131 445 G HA2 -0.235 3.728 3.960 0.004 0.000 0.223 445 G HA3 -0.235 3.728 3.960 0.004 0.000 0.223 445 G C -0.245 174.667 174.900 0.020 0.000 0.990 445 G CA -0.037 45.102 45.100 0.065 0.000 0.671 445 G HN 0.279 nan 8.290 nan 0.000 0.521 446 S N 0.416 116.137 115.700 0.035 0.000 2.562 446 S HA 0.567 5.040 4.470 0.004 0.000 0.275 446 S C 0.702 175.318 174.600 0.026 0.000 1.281 446 S CA -0.640 57.572 58.200 0.020 0.000 1.045 446 S CB 1.219 64.436 63.200 0.028 0.000 0.962 446 S HN 0.460 nan 8.310 nan 0.000 0.503 447 R N 1.758 122.263 120.500 0.010 0.000 2.442 447 R HA 0.257 4.600 4.340 0.004 0.000 0.291 447 R C -0.377 175.970 176.300 0.079 0.000 1.069 447 R CA -0.136 55.985 56.100 0.036 0.000 1.022 447 R CB 0.170 30.458 30.300 -0.020 0.000 0.976 447 R HN 0.514 nan 8.270 nan 0.000 0.443 448 L N 5.047 126.353 121.223 0.138 0.000 2.418 448 L HA 0.355 4.698 4.340 0.004 0.000 0.265 448 L C -1.417 175.545 176.870 0.153 0.000 1.143 448 L CA -1.894 53.028 54.840 0.137 0.000 0.809 448 L CB 0.507 42.663 42.059 0.162 0.000 1.124 448 L HN 0.433 nan 8.230 nan 0.000 0.456 449 P HA 0.133 nan 4.420 nan 0.000 0.276 449 P C -0.038 177.353 177.300 0.152 0.000 1.261 449 P CA -0.470 62.697 63.100 0.112 0.000 0.800 449 P CB 1.036 32.778 31.700 0.069 0.000 1.066 450 A N 1.026 123.939 122.820 0.155 0.000 1.969 450 A HA 0.016 4.338 4.320 0.004 0.000 0.218 450 A C 1.330 179.014 177.584 0.166 0.000 1.169 450 A CA 0.997 53.158 52.037 0.207 0.000 0.635 450 A CB -0.729 18.354 19.000 0.140 0.000 0.810 450 A HN 0.534 nan 8.150 nan 0.000 0.445 451 I N 1.879 122.497 120.570 0.080 0.000 2.437 451 I HA 0.246 4.418 4.170 0.004 0.000 0.279 451 I C -2.338 173.782 176.117 0.005 0.000 1.028 451 I CA -2.067 59.250 61.300 0.029 0.000 1.142 451 I CB 1.644 39.658 38.000 0.024 0.000 1.266 451 I HN 0.127 nan 8.210 nan 0.000 0.461 452 P HA 0.160 nan 4.420 nan 0.000 0.269 452 P C -0.694 176.593 177.300 -0.023 0.000 1.215 452 P CA -0.332 62.751 63.100 -0.028 0.000 0.780 452 P CB 0.880 32.541 31.700 -0.065 0.000 0.898 453 R N 1.955 122.447 120.500 -0.013 0.000 2.196 453 R HA 0.372 4.714 4.340 0.004 0.000 0.340 453 R C -0.196 176.093 176.300 -0.018 0.000 1.043 453 R CA -0.492 55.600 56.100 -0.013 0.000 0.883 453 R CB 0.246 30.543 30.300 -0.005 0.000 1.078 453 R HN 0.470 nan 8.270 nan 0.000 0.462 454 L N 4.849 126.056 121.223 -0.026 0.000 2.352 454 L HA 0.256 4.598 4.340 0.004 0.000 0.272 454 L C 0.966 177.821 176.870 -0.024 0.000 1.109 454 L CA -0.049 54.773 54.840 -0.029 0.000 0.952 454 L CB 0.558 42.591 42.059 -0.044 0.000 1.314 454 L HN 0.545 nan 8.230 nan 0.000 0.427 455 K N -0.033 120.357 120.400 -0.016 0.000 2.399 455 K HA 0.194 4.516 4.320 0.004 0.000 0.196 455 K C -0.188 176.405 176.600 -0.012 0.000 1.117 455 K CA -0.026 56.253 56.287 -0.014 0.000 0.965 455 K CB 0.921 33.415 32.500 -0.009 0.000 0.983 455 K HN 0.462 nan 8.250 nan 0.000 0.531 456 D N 0.199 120.593 120.400 -0.010 0.000 2.268 456 D HA 0.233 4.876 4.640 0.004 0.000 0.249 456 D C 0.832 177.127 176.300 -0.009 0.000 1.008 456 D CA -0.180 53.816 54.000 -0.007 0.000 0.939 456 D CB 1.639 42.438 40.800 -0.003 0.000 1.170 456 D HN -0.075 nan 8.370 nan 0.000 0.468 457 A N 1.571 124.387 122.820 -0.007 0.000 1.948 457 A HA -0.225 4.097 4.320 0.004 0.000 0.220 457 A C 1.459 179.040 177.584 -0.005 0.000 1.177 457 A CA 1.438 53.470 52.037 -0.007 0.000 0.636 457 A CB -0.319 18.678 19.000 -0.005 0.000 0.815 457 A HN 0.496 nan 8.150 nan 0.000 0.449 458 N N 0.498 119.197 118.700 -0.002 0.000 2.336 458 N HA 0.004 4.746 4.740 0.004 0.000 0.189 458 N C -0.709 174.802 175.510 0.001 0.000 1.113 458 N CA 0.183 53.234 53.050 0.002 0.000 0.858 458 N CB -0.013 38.478 38.487 0.005 0.000 0.970 458 N HN 0.399 nan 8.380 nan 0.000 0.471 459 D N 1.400 121.797 120.400 -0.004 0.000 2.425 459 D HA 0.110 4.753 4.640 0.004 0.000 0.247 459 D C 0.526 176.819 176.300 -0.011 0.000 1.147 459 D CA 0.232 54.227 54.000 -0.007 0.000 0.879 459 D CB 1.609 42.401 40.800 -0.013 0.000 1.179 459 D HN -0.058 nan 8.370 nan 0.000 0.456 460 V N -0.113 119.794 119.914 -0.011 0.000 3.078 460 V HA 0.687 4.810 4.120 0.004 0.000 0.311 460 V C -2.629 173.446 176.094 -0.032 0.000 1.138 460 V CA -1.768 60.528 62.300 -0.007 0.000 1.007 460 V CB 1.908 33.739 31.823 0.014 0.000 1.045 460 V HN 0.336 nan 8.190 nan 0.000 0.432 461 P HA 0.414 nan 4.420 nan 0.000 0.274 461 P C -0.153 177.049 177.300 -0.164 0.000 1.256 461 P CA -0.399 62.642 63.100 -0.099 0.000 0.795 461 P CB 0.857 32.530 31.700 -0.045 0.000 1.038 462 I N 1.236 121.609 120.570 -0.328 0.000 2.581 462 I HA -0.045 4.127 4.170 0.004 0.000 0.285 462 I C 1.115 177.020 176.117 -0.353 0.000 1.129 462 I CA 0.530 61.574 61.300 -0.425 0.000 1.397 462 I CB -0.244 37.242 38.000 -0.856 0.000 1.399 462 I HN 0.183 nan 8.210 nan 0.000 0.537 463 Q N 5.919 125.596 119.800 -0.205 0.000 2.294 463 Q HA 0.375 4.718 4.340 0.004 0.000 0.257 463 Q C -0.831 175.115 176.000 -0.090 0.000 0.955 463 Q CA -0.221 55.495 55.803 -0.145 0.000 0.936 463 Q CB 1.830 30.518 28.738 -0.082 0.000 1.188 463 Q HN 0.681 nan 8.270 nan 0.000 0.420 464 C N 3.154 122.406 119.300 -0.082 0.000 2.782 464 C HA 0.484 4.947 4.460 0.004 0.000 0.328 464 C C -1.376 173.640 174.990 0.044 0.000 1.145 464 C CA -0.306 58.729 59.018 0.028 0.000 1.358 464 C CB 1.633 29.423 27.740 0.083 0.000 1.841 464 C HN 0.994 nan 8.230 nan 0.000 0.477 465 E N 4.623 124.884 120.200 0.102 0.000 2.275 465 E HA 0.631 4.984 4.350 0.004 0.000 0.270 465 E C -1.490 175.207 176.600 0.161 0.000 0.882 465 E CA -0.445 56.072 56.400 0.194 0.000 0.758 465 E CB 1.552 31.306 29.700 0.090 0.000 1.195 465 E HN 0.749 nan 8.360 nan 0.000 0.419 466 I N 2.761 123.428 120.570 0.162 0.000 2.418 466 I HA 0.170 4.342 4.170 0.004 0.000 0.287 466 I C 0.262 176.354 176.117 -0.042 0.000 1.008 466 I CA -0.701 60.533 61.300 -0.111 0.000 1.104 466 I CB 1.920 39.753 38.000 -0.278 0.000 1.264 466 I HN 0.370 nan 8.210 nan 0.000 0.438 467 S N 7.008 122.707 115.700 -0.003 0.000 2.560 467 S HA 0.180 4.653 4.470 0.004 0.000 0.284 467 S C -1.553 173.064 174.600 0.029 0.000 1.327 467 S CA -0.794 57.428 58.200 0.037 0.000 1.055 467 S CB 0.951 64.173 63.200 0.037 0.000 0.868 467 S HN 0.379 nan 8.310 nan 0.000 0.506 468 P HA -0.051 nan 4.420 nan 0.000 0.218 468 P C 1.270 178.607 177.300 0.060 0.000 1.148 468 P CA 0.999 64.145 63.100 0.078 0.000 0.822 468 P CB -0.009 31.745 31.700 0.089 0.000 0.784 469 L N -1.584 119.667 121.223 0.047 0.000 2.187 469 L HA -0.168 4.174 4.340 0.004 0.000 0.213 469 L C 2.097 178.973 176.870 0.010 0.000 1.100 469 L CA 1.122 55.986 54.840 0.041 0.000 0.765 469 L CB -0.713 41.377 42.059 0.051 0.000 0.904 469 L HN 0.005 nan 8.230 nan 0.000 0.437 470 I N -1.802 118.744 120.570 -0.040 0.000 2.385 470 I HA -0.013 4.160 4.170 0.004 0.000 0.244 470 I C 1.118 177.152 176.117 -0.138 0.000 1.089 470 I CA 0.818 62.039 61.300 -0.130 0.000 1.410 470 I CB -0.287 37.536 38.000 -0.295 0.000 1.117 470 I HN 0.042 nan 8.210 nan 0.000 0.429 471 S N -1.474 114.148 115.700 -0.130 0.000 2.571 471 S HA 0.317 4.790 4.470 0.004 0.000 0.284 471 S C 0.153 174.669 174.600 -0.140 0.000 1.128 471 S CA -0.570 57.510 58.200 -0.201 0.000 0.970 471 S CB 1.310 64.283 63.200 -0.379 0.000 1.039 471 S HN 0.213 nan 8.310 nan 0.000 0.485 472 Y N 4.398 124.550 120.300 -0.246 0.000 2.231 472 Y HA 0.478 5.030 4.550 0.004 0.000 0.294 472 Y C 1.265 177.057 175.900 -0.180 0.000 1.120 472 Y CA 1.527 59.542 58.100 -0.141 0.000 1.141 472 Y CB 0.194 38.581 38.460 -0.121 0.000 1.022 472 Y HN 0.716 nan 8.280 nan 0.000 0.523 473 A N -1.330 121.230 122.820 -0.435 0.000 2.676 473 A HA 0.564 4.886 4.320 0.004 0.000 0.258 473 A C 1.017 177.897 177.584 -1.173 0.000 0.898 473 A CA 0.262 51.965 52.037 -0.557 0.000 1.087 473 A CB -0.559 18.366 19.000 -0.125 0.000 1.214 473 A HN 0.861 nan 8.150 nan 0.000 0.474 474 G N 0.207 107.740 108.800 -2.111 0.000 2.194 474 G HA2 -0.211 3.751 3.960 0.004 0.000 0.236 474 G HA3 -0.211 3.751 3.960 0.004 0.000 0.236 474 G C 0.145 174.615 174.900 -0.716 0.000 0.987 474 G CA 0.292 44.285 45.100 -1.845 0.000 0.635 474 G HN 1.013 nan 8.290 nan 0.000 0.520 475 E N 1.040 120.945 120.200 -0.491 0.000 2.312 475 E HA 0.503 4.856 4.350 0.004 0.000 0.259 475 E C 1.119 177.618 176.600 -0.168 0.000 1.122 475 E CA 0.140 56.399 56.400 -0.236 0.000 0.922 475 E CB 0.518 30.134 29.700 -0.140 0.000 1.109 475 E HN 1.698 nan 8.360 nan 0.000 0.442 476 G N 1.067 109.829 108.800 -0.064 0.000 2.249 476 G HA2 -0.247 3.715 3.960 0.004 0.000 0.273 476 G HA3 -0.247 3.715 3.960 0.004 0.000 0.273 476 G C 0.431 175.367 174.900 0.060 0.000 1.036 476 G CA 0.706 45.813 45.100 0.012 0.000 0.824 476 G HN 0.441 nan 8.290 nan 0.000 0.504 477 L N -1.316 119.923 121.223 0.026 0.000 2.609 477 L HA 0.205 4.547 4.340 0.004 0.000 0.230 477 L C 2.438 179.408 176.870 0.165 0.000 1.087 477 L CA 0.652 55.541 54.840 0.082 0.000 0.874 477 L CB -0.058 41.983 42.059 -0.030 0.000 1.114 477 L HN 0.221 nan 8.230 nan 0.000 0.488 478 E N 0.632 120.889 120.200 0.094 0.000 2.108 478 E HA -0.293 4.059 4.350 0.004 0.000 0.203 478 E C 2.236 178.882 176.600 0.077 0.000 1.022 478 E CA 1.973 58.414 56.400 0.068 0.000 0.823 478 E CB -0.347 29.373 29.700 0.033 0.000 0.744 478 E HN 0.436 nan 8.360 nan 0.000 0.456 479 S N -0.702 115.039 115.700 0.068 0.000 2.453 479 S HA -0.125 4.347 4.470 0.004 0.000 0.231 479 S C 1.727 176.285 174.600 -0.071 0.000 1.005 479 S CA 0.562 58.739 58.200 -0.039 0.000 0.949 479 S CB -0.298 62.819 63.200 -0.139 0.000 0.774 479 S HN 0.323 nan 8.310 nan 0.000 0.510 480 Y N 1.106 121.418 120.300 0.020 0.000 2.448 480 Y HA 0.229 4.781 4.550 0.003 0.000 0.289 480 Y C 2.372 178.347 175.900 0.124 0.000 1.114 480 Y CA 0.693 58.814 58.100 0.035 0.000 1.235 480 Y CB 0.396 38.842 38.460 -0.024 0.000 1.045 480 Y HN 0.396 nan 8.280 nan 0.000 0.554 481 V N -4.630 115.447 119.914 0.272 0.000 3.380 481 V HA 0.575 4.698 4.120 0.004 0.000 0.277 481 V C 0.814 177.017 176.094 0.183 0.000 1.590 481 V CA -0.270 62.238 62.300 0.347 0.000 1.019 481 V CB -0.724 31.220 31.823 0.201 0.000 0.828 481 V HN 0.011 nan 8.190 nan 0.000 0.427 482 A N 1.663 124.540 122.820 0.096 0.000 2.580 482 A HA 0.271 4.593 4.320 0.004 0.000 0.244 482 A C 0.857 178.458 177.584 0.028 0.000 1.045 482 A CA 1.174 53.233 52.037 0.036 0.000 0.761 482 A CB -0.769 18.247 19.000 0.026 0.000 0.962 482 A HN 0.783 nan 8.150 nan 0.000 0.512 483 D N 0.338 120.751 120.400 0.021 0.000 2.837 483 D HA -0.139 4.504 4.640 0.004 0.000 0.230 483 D C -0.015 176.295 176.300 0.016 0.000 1.152 483 D CA 1.915 55.949 54.000 0.058 0.000 0.736 483 D CB -0.925 39.894 40.800 0.033 0.000 1.084 483 D HN 0.787 nan 8.370 nan 0.000 0.429 484 K N 0.139 120.521 120.400 -0.031 0.000 2.340 484 K HA 0.555 4.877 4.320 0.004 0.000 0.244 484 K C 0.020 176.355 176.600 -0.442 0.000 0.973 484 K CA -0.679 55.449 56.287 -0.265 0.000 0.828 484 K CB 2.115 34.403 32.500 -0.352 0.000 1.226 484 K HN -0.070 nan 8.250 nan 0.000 0.437 485 E N 1.461 121.246 120.200 -0.692 0.000 2.199 485 E HA 0.421 4.773 4.350 0.004 0.000 0.269 485 E C -1.186 174.841 176.600 -0.955 0.000 0.899 485 E CA -0.612 55.428 56.400 -0.600 0.000 0.772 485 E CB 1.335 30.841 29.700 -0.324 0.000 1.155 485 E HN 0.241 nan 8.360 nan 0.000 0.408 486 F N 0.346 120.088 119.950 -0.345 0.000 2.593 486 F HA 0.339 4.868 4.527 0.003 0.000 0.320 486 F C 0.251 175.910 175.800 -0.235 0.000 1.060 486 F CA -1.001 56.829 58.000 -0.284 0.000 0.940 486 F CB 1.429 40.252 39.000 -0.294 0.000 1.268 486 F HN 0.353 nan 8.300 nan 0.000 0.475 487 H N 1.336 120.577 119.070 0.285 0.000 2.641 487 H HA 0.563 5.122 4.556 0.005 0.000 0.295 487 H C -0.232 175.275 175.328 0.299 0.000 1.070 487 H CA -0.601 55.599 56.048 0.254 0.000 1.257 487 H CB 1.204 31.064 29.762 0.162 0.000 1.393 487 H HN 0.767 nan 8.280 nan 0.000 0.464 488 A N 5.542 128.624 122.820 0.436 0.000 2.407 488 A HA 0.325 4.647 4.320 0.004 0.000 0.248 488 A C -1.953 175.751 177.584 0.200 0.000 1.082 488 A CA -1.213 51.013 52.037 0.316 0.000 0.785 488 A CB -0.159 18.950 19.000 0.183 0.000 1.020 488 A HN 0.437 nan 8.150 nan 0.000 0.489 489 P HA 0.285 nan 4.420 nan 0.000 0.267 489 P C -0.960 176.446 177.300 0.178 0.000 1.205 489 P CA 0.075 63.247 63.100 0.121 0.000 0.765 489 P CB 0.405 32.150 31.700 0.075 0.000 0.828 490 L N 5.224 126.560 121.223 0.189 0.000 2.349 490 L HA 0.544 4.886 4.340 0.004 0.000 0.278 490 L C -1.242 175.691 176.870 0.105 0.000 0.996 490 L CA -0.247 54.700 54.840 0.179 0.000 0.825 490 L CB 0.823 43.035 42.059 0.255 0.000 1.243 490 L HN 0.251 nan 8.230 nan 0.000 0.412 491 I N 6.429 127.056 120.570 0.094 0.000 2.436 491 I HA 0.435 4.607 4.170 0.004 0.000 0.289 491 I C -0.737 175.382 176.117 0.003 0.000 1.010 491 I CA -0.488 60.866 61.300 0.089 0.000 1.098 491 I CB 1.833 39.940 38.000 0.178 0.000 1.266 491 I HN 0.514 nan 8.210 nan 0.000 0.434 492 I N 6.071 126.609 120.570 -0.053 0.000 2.382 492 I HA 0.328 4.500 4.170 0.004 0.000 0.285 492 I C -0.878 175.177 176.117 -0.104 0.000 1.007 492 I CA -0.415 60.795 61.300 -0.151 0.000 1.142 492 I CB 1.228 39.077 38.000 -0.251 0.000 1.289 492 I HN 0.594 nan 8.210 nan 0.000 0.453 493 D N 4.662 125.032 120.400 -0.050 0.000 2.904 493 D HA 0.151 4.794 4.640 0.004 0.000 0.290 493 D C 0.763 177.096 176.300 0.055 0.000 1.180 493 D CA -0.519 53.495 54.000 0.024 0.000 1.065 493 D CB 0.232 41.105 40.800 0.121 0.000 1.386 493 D HN 0.384 nan 8.370 nan 0.000 0.599 494 E N -0.137 120.119 120.200 0.093 0.000 2.338 494 E HA -0.130 4.222 4.350 0.004 0.000 0.197 494 E C 0.068 176.751 176.600 0.138 0.000 1.007 494 E CA 0.762 57.228 56.400 0.109 0.000 0.849 494 E CB -0.580 29.178 29.700 0.097 0.000 0.774 494 E HN 0.357 nan 8.360 nan 0.000 0.506 495 N N 1.249 120.061 118.700 0.187 0.000 2.313 495 N HA 0.159 4.901 4.740 0.004 0.000 0.207 495 N C 0.745 176.382 175.510 0.212 0.000 1.141 495 N CA 0.828 54.019 53.050 0.235 0.000 0.830 495 N CB 0.948 39.614 38.487 0.298 0.000 1.008 495 N HN 0.404 nan 8.380 nan 0.000 0.481 496 G N -0.236 108.614 108.800 0.084 0.000 2.508 496 G HA2 -0.239 3.723 3.960 0.004 0.000 0.220 496 G HA3 -0.239 3.723 3.960 0.004 0.000 0.220 496 G C -0.901 173.796 174.900 -0.340 0.000 1.287 496 G CA -0.528 44.561 45.100 -0.019 0.000 0.916 496 G HN 0.041 nan 8.290 nan 0.000 0.574 497 V N 2.637 122.359 119.914 -0.320 0.000 2.472 497 V HA 0.675 4.797 4.120 0.004 0.000 0.290 497 V C -0.358 175.464 176.094 -0.454 0.000 1.037 497 V CA -0.582 61.519 62.300 -0.331 0.000 0.908 497 V CB 1.509 33.330 31.823 -0.003 0.000 0.985 497 V HN 0.788 nan 8.190 nan 0.000 0.454 498 H N 3.107 122.232 119.070 0.092 0.000 2.744 498 H HA 0.457 5.015 4.556 0.004 0.000 0.339 498 H C -0.844 174.553 175.328 0.114 0.000 1.004 498 H CA -0.677 55.430 56.048 0.097 0.000 1.257 498 H CB 1.783 31.590 29.762 0.074 0.000 1.552 498 H HN 0.643 nan 8.280 nan 0.000 0.522 499 E N 4.116 124.462 120.200 0.243 0.000 2.063 499 E HA 0.266 4.619 4.350 0.004 0.000 0.265 499 E C 0.328 177.032 176.600 0.174 0.000 0.919 499 E CA -0.358 56.177 56.400 0.225 0.000 0.756 499 E CB 1.516 31.374 29.700 0.262 0.000 1.120 499 E HN 0.368 nan 8.360 nan 0.000 0.414 500 L N 0.000 121.313 121.223 0.150 0.000 2.949 500 L HA 0.000 4.342 4.340 0.004 0.000 0.249 500 L CA 0.000 54.901 54.840 0.102 0.000 0.813 500 L CB 0.000 42.109 42.059 0.083 0.000 0.961 500 L HN 0.000 nan 8.230 nan 0.000 0.502