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 3n29_1_B DATA FIRST_RESID 6 DATA SEQUENCE IQTPAYILEE DKLRKNCELL ASVGEKSGAK VLLALKGFAF SGAMKIVGEY DATA SEQUENCE LKGCTCSGLW EAKFAKEYMD KEIHTYSPAF KEDEIGEIAS LSHHIVFNSL DATA SEQUENCE AQFHKFQSKT QKNSLGLRCN VEFSXXXXXX XXXXGRYSRL GIRAKDFENV DATA SEQUENCE DLNAIEGLHF HALCEESADA LEAVLKVFEE KFGKWIGQMK WVNFGGGHHI DATA SEQUENCE TKKGYDVEKL IALCKNFSDK YGVQVYLEPG EAVGWQTGNL VASVVDIIEN DATA SEQUENCE EKQIAILDTS SEAHMPDTII MPYTSEVLNA RILATRENEK ISDLKENEFA DATA SEQUENCE YLLTGNTCLA GDVMGEYAFD KKLKIGDKIV FLDQIHYTIV KNTTFNGIRL DATA SEQUENCE PNLMLLDHKN ELQMIREFSY KDYSLRN 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.113 176.117 -0.006 0.000 1.063 6 I CA 0.000 61.298 61.300 -0.002 0.000 1.566 6 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 7 Q N 4.999 124.797 119.800 -0.004 0.000 2.297 7 Q HA 0.397 4.738 4.340 0.001 0.000 0.267 7 Q C -0.243 175.755 176.000 -0.004 0.000 1.006 7 Q CA 0.008 55.808 55.803 -0.004 0.000 0.896 7 Q CB 1.085 29.822 28.738 -0.002 0.000 1.186 7 Q HN 0.699 nan 8.270 nan 0.000 0.392 8 T N 1.970 116.519 114.554 -0.008 0.000 2.943 8 T HA 0.671 5.022 4.350 0.001 0.000 0.284 8 T C -2.414 172.279 174.700 -0.011 0.000 1.015 8 T CA -1.819 60.273 62.100 -0.014 0.000 1.042 8 T CB 1.520 70.379 68.868 -0.015 0.000 1.055 8 T HN 0.469 nan 8.240 nan 0.000 0.500 9 P HA 0.558 nan 4.420 nan 0.000 0.276 9 P C -1.311 175.931 177.300 -0.097 0.000 1.252 9 P CA -0.589 62.466 63.100 -0.075 0.000 0.802 9 P CB 0.841 32.468 31.700 -0.123 0.000 1.035 10 A N 1.321 124.067 122.820 -0.123 0.000 2.517 10 A HA 0.546 4.867 4.320 0.001 0.000 0.297 10 A C -1.550 175.980 177.584 -0.091 0.000 1.050 10 A CA -0.603 51.398 52.037 -0.060 0.000 0.694 10 A CB 0.635 19.649 19.000 0.024 0.000 1.277 10 A HN 0.396 nan 8.150 nan 0.000 0.400 11 Y N 1.427 121.787 120.300 0.101 0.000 2.359 11 Y HA 0.534 5.085 4.550 0.001 0.000 0.334 11 Y C 0.314 176.303 175.900 0.148 0.000 1.058 11 Y CA 0.097 58.276 58.100 0.132 0.000 1.244 11 Y CB 0.856 39.427 38.460 0.185 0.000 1.187 11 Y HN 0.442 nan 8.280 nan 0.000 0.510 12 I N 5.344 126.048 120.570 0.222 0.000 2.420 12 I HA 0.168 4.339 4.170 0.001 0.000 0.282 12 I C -1.047 175.092 176.117 0.037 0.000 1.019 12 I CA -0.832 60.546 61.300 0.129 0.000 1.130 12 I CB 1.314 39.361 38.000 0.077 0.000 1.262 12 I HN 0.391 nan 8.210 nan 0.000 0.454 13 L N 7.171 128.336 121.223 -0.096 0.000 2.331 13 L HA 0.344 4.685 4.340 0.001 0.000 0.278 13 L C -0.073 176.726 176.870 -0.118 0.000 1.106 13 L CA 0.336 55.023 54.840 -0.255 0.000 0.824 13 L CB 0.611 42.198 42.059 -0.787 0.000 1.142 13 L HN 0.482 nan 8.230 nan 0.000 0.443 14 E N 4.010 124.166 120.200 -0.072 0.000 2.115 14 E HA 0.078 4.429 4.350 0.001 0.000 0.282 14 E C 0.276 176.865 176.600 -0.019 0.000 0.987 14 E CA -0.120 56.263 56.400 -0.028 0.000 0.797 14 E CB 1.287 30.976 29.700 -0.018 0.000 1.086 14 E HN 0.744 nan 8.360 nan 0.000 0.397 15 E N 3.357 123.566 120.200 0.015 0.000 2.085 15 E HA -0.274 4.077 4.350 0.001 0.000 0.194 15 E C 0.664 177.288 176.600 0.039 0.000 0.994 15 E CA 1.523 57.952 56.400 0.049 0.000 0.801 15 E CB 0.260 30.027 29.700 0.112 0.000 0.743 15 E HN 0.471 nan 8.360 nan 0.000 0.453 16 D N 0.329 120.753 120.400 0.039 0.000 2.144 16 D HA -0.139 4.501 4.640 0.001 0.000 0.199 16 D C 1.813 178.109 176.300 -0.007 0.000 0.984 16 D CA 1.030 55.048 54.000 0.030 0.000 0.834 16 D CB -0.033 40.788 40.800 0.033 0.000 0.955 16 D HN 0.226 nan 8.370 nan 0.000 0.465 17 K N 0.078 120.467 120.400 -0.019 0.000 2.062 17 K HA -0.062 4.259 4.320 0.001 0.000 0.205 17 K C 2.113 178.670 176.600 -0.071 0.000 1.051 17 K CA 0.226 56.489 56.287 -0.040 0.000 0.941 17 K CB -0.237 32.239 32.500 -0.040 0.000 0.719 17 K HN 0.096 nan 8.250 nan 0.000 0.440 18 L N 1.955 123.134 121.223 -0.074 0.000 2.046 18 L HA -0.137 4.204 4.340 0.001 0.000 0.208 18 L C 2.280 179.043 176.870 -0.177 0.000 1.077 18 L CA 1.553 56.324 54.840 -0.115 0.000 0.747 18 L CB -0.323 41.704 42.059 -0.054 0.000 0.896 18 L HN 0.014 nan 8.230 nan 0.000 0.432 19 R N -0.361 120.058 120.500 -0.135 0.000 2.083 19 R HA -0.175 4.166 4.340 0.001 0.000 0.237 19 R C 2.324 178.453 176.300 -0.286 0.000 1.137 19 R CA 1.866 57.827 56.100 -0.231 0.000 0.951 19 R CB -0.334 29.950 30.300 -0.026 0.000 0.851 19 R HN 0.401 nan 8.270 nan 0.000 0.434 20 K N 0.210 120.521 120.400 -0.149 0.000 2.032 20 K HA -0.138 4.183 4.320 0.001 0.000 0.209 20 K C 1.856 178.366 176.600 -0.150 0.000 1.048 20 K CA 1.518 57.735 56.287 -0.116 0.000 0.927 20 K CB -0.171 32.295 32.500 -0.057 0.000 0.712 20 K HN 0.125 nan 8.250 nan 0.000 0.441 21 N N 0.762 119.367 118.700 -0.158 0.000 2.069 21 N HA -0.161 4.580 4.740 0.001 0.000 0.191 21 N C 1.841 177.208 175.510 -0.237 0.000 1.031 21 N CA 1.254 54.206 53.050 -0.162 0.000 0.852 21 N CB -0.672 37.722 38.487 -0.154 0.000 1.018 21 N HN 0.218 nan 8.380 nan 0.000 0.423 22 C N 0.794 119.857 119.300 -0.396 0.000 2.457 22 C HA 0.042 4.502 4.460 0.001 0.000 0.278 22 C C 2.452 177.154 174.990 -0.481 0.000 1.309 22 C CA -0.101 58.605 59.018 -0.519 0.000 1.735 22 C CB -0.851 26.369 27.740 -0.867 0.000 1.992 22 C HN 0.507 nan 8.230 nan 0.000 0.493 23 E N 0.642 120.540 120.200 -0.503 0.000 2.070 23 E HA -0.279 4.072 4.350 0.001 0.000 0.197 23 E C 1.984 178.550 176.600 -0.055 0.000 1.004 23 E CA 1.341 57.665 56.400 -0.128 0.000 0.805 23 E CB -0.295 29.363 29.700 -0.070 0.000 0.744 23 E HN 0.460 nan 8.360 nan 0.000 0.451 24 L N 0.984 122.156 121.223 -0.085 0.000 1.989 24 L HA -0.198 4.143 4.340 0.001 0.000 0.211 24 L C 2.132 178.969 176.870 -0.055 0.000 1.071 24 L CA 1.626 56.432 54.840 -0.055 0.000 0.749 24 L CB -0.546 41.476 42.059 -0.062 0.000 0.890 24 L HN 0.151 nan 8.230 nan 0.000 0.431 25 L N -0.626 120.546 121.223 -0.084 0.000 2.013 25 L HA -0.260 4.080 4.340 0.001 0.000 0.212 25 L C 2.669 179.521 176.870 -0.030 0.000 1.073 25 L CA 1.424 56.222 54.840 -0.070 0.000 0.753 25 L CB -1.111 40.896 42.059 -0.087 0.000 0.890 25 L HN 0.411 nan 8.230 nan 0.000 0.432 26 A N -1.020 121.804 122.820 0.007 0.000 1.940 26 A HA -0.251 4.070 4.320 0.001 0.000 0.219 26 A C 2.547 180.145 177.584 0.023 0.000 1.176 26 A CA 2.184 54.253 52.037 0.054 0.000 0.631 26 A CB -0.664 18.434 19.000 0.163 0.000 0.814 26 A HN 0.374 nan 8.150 nan 0.000 0.446 27 S N -0.805 114.904 115.700 0.016 0.000 2.368 27 S HA -0.117 4.353 4.470 0.001 0.000 0.224 27 S C 1.926 176.526 174.600 0.000 0.000 1.029 27 S CA 1.442 59.648 58.200 0.010 0.000 0.988 27 S CB -0.460 62.746 63.200 0.009 0.000 0.838 27 S HN 0.329 nan 8.310 nan 0.000 0.462 28 V N 1.411 121.320 119.914 -0.009 0.000 2.287 28 V HA -0.154 3.966 4.120 0.001 0.000 0.248 28 V C 2.647 178.725 176.094 -0.026 0.000 1.053 28 V CA 2.038 64.331 62.300 -0.013 0.000 1.027 28 V CB -1.485 30.323 31.823 -0.025 0.000 0.646 28 V HN 0.616 nan 8.190 nan 0.000 0.447 29 G N -1.130 107.647 108.800 -0.038 0.000 2.402 29 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 29 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 29 G C 1.591 176.465 174.900 -0.043 0.000 1.162 29 G CA 0.808 45.874 45.100 -0.057 0.000 0.777 29 G HN 0.495 nan 8.290 nan 0.000 0.539 30 E N 0.808 120.994 120.200 -0.023 0.000 2.047 30 E HA -0.098 4.253 4.350 0.001 0.000 0.191 30 E C 2.392 178.986 176.600 -0.011 0.000 0.987 30 E CA 0.959 57.349 56.400 -0.016 0.000 0.799 30 E CB -0.129 29.568 29.700 -0.004 0.000 0.752 30 E HN 0.367 nan 8.360 nan 0.000 0.449 31 K N 0.188 120.586 120.400 -0.004 0.000 2.211 31 K HA -0.069 4.252 4.320 0.001 0.000 0.203 31 K C 2.196 178.799 176.600 0.004 0.000 1.050 31 K CA 1.431 57.720 56.287 0.003 0.000 0.945 31 K CB -0.000 32.505 32.500 0.009 0.000 0.732 31 K HN 0.100 nan 8.250 nan 0.000 0.451 32 S N -1.567 114.131 115.700 -0.004 0.000 2.497 32 S HA 0.185 4.655 4.470 0.001 0.000 0.218 32 S C 1.549 176.142 174.600 -0.011 0.000 1.023 32 S CA 0.342 58.543 58.200 0.002 0.000 0.913 32 S CB 0.766 63.966 63.200 -0.000 0.000 0.800 32 S HN 0.377 nan 8.310 nan 0.000 0.505 33 G N 1.344 110.124 108.800 -0.033 0.000 2.225 33 G HA2 -0.161 3.800 3.960 0.001 0.000 0.254 33 G HA3 -0.161 3.800 3.960 0.001 0.000 0.254 33 G C 0.393 175.227 174.900 -0.111 0.000 0.988 33 G CA 0.056 45.126 45.100 -0.051 0.000 0.625 33 G HN 1.342 nan 8.290 nan 0.000 0.527 34 A N 0.132 122.875 122.820 -0.128 0.000 2.425 34 A HA 0.583 4.904 4.320 0.001 0.000 0.242 34 A C 0.533 177.959 177.584 -0.263 0.000 1.077 34 A CA 0.658 52.557 52.037 -0.230 0.000 0.781 34 A CB 0.296 19.166 19.000 -0.215 0.000 1.020 34 A HN 0.444 nan 8.150 nan 0.000 0.494 35 K N 0.958 121.102 120.400 -0.426 0.000 2.213 35 K HA 0.490 4.811 4.320 0.001 0.000 0.270 35 K C -1.240 175.224 176.600 -0.227 0.000 1.002 35 K CA -0.446 55.621 56.287 -0.368 0.000 0.868 35 K CB 1.739 33.872 32.500 -0.612 0.000 1.093 35 K HN 0.391 nan 8.250 nan 0.000 0.454 36 V N 5.427 125.262 119.914 -0.131 0.000 2.394 36 V HA 0.367 4.488 4.120 0.001 0.000 0.282 36 V C -0.205 175.852 176.094 -0.062 0.000 1.031 36 V CA -0.809 61.440 62.300 -0.085 0.000 0.881 36 V CB 0.807 32.590 31.823 -0.066 0.000 0.982 36 V HN 0.590 nan 8.190 nan 0.000 0.451 37 L N 4.845 126.027 121.223 -0.067 0.000 2.342 37 L HA 0.579 4.920 4.340 0.001 0.000 0.271 37 L C -0.544 176.310 176.870 -0.027 0.000 1.008 37 L CA -0.943 53.852 54.840 -0.074 0.000 0.818 37 L CB 1.949 43.898 42.059 -0.182 0.000 1.296 37 L HN 0.457 nan 8.230 nan 0.000 0.427 38 L N 2.755 123.986 121.223 0.013 0.000 2.313 38 L HA 0.489 4.830 4.340 0.001 0.000 0.282 38 L C 0.239 177.140 176.870 0.052 0.000 1.092 38 L CA 0.005 54.877 54.840 0.053 0.000 0.831 38 L CB 0.841 42.974 42.059 0.123 0.000 1.159 38 L HN 0.668 nan 8.230 nan 0.000 0.442 39 A N 6.212 129.056 122.820 0.040 0.000 2.376 39 A HA 0.309 4.630 4.320 0.001 0.000 0.298 39 A C 1.028 178.634 177.584 0.036 0.000 1.271 39 A CA -0.362 51.691 52.037 0.028 0.000 0.926 39 A CB -0.252 18.753 19.000 0.009 0.000 1.141 39 A HN 0.979 nan 8.150 nan 0.000 0.539 40 L N 2.077 123.320 121.223 0.033 0.000 2.353 40 L HA -0.154 4.187 4.340 0.001 0.000 0.220 40 L C 2.534 179.348 176.870 -0.094 0.000 1.133 40 L CA 1.328 56.164 54.840 -0.007 0.000 0.798 40 L CB -0.248 41.806 42.059 -0.009 0.000 0.922 40 L HN 0.926 nan 8.230 nan 0.000 0.445 41 K N 0.452 120.806 120.400 -0.077 0.000 2.074 41 K HA -0.184 4.136 4.320 0.001 0.000 0.209 41 K C 1.909 178.318 176.600 -0.318 0.000 1.048 41 K CA 1.683 57.904 56.287 -0.110 0.000 0.926 41 K CB -0.198 32.305 32.500 0.004 0.000 0.713 41 K HN 0.341 nan 8.250 nan 0.000 0.444 42 G N -0.646 107.860 108.800 -0.491 0.000 2.545 42 G HA2 0.004 3.964 3.960 0.001 0.000 0.212 42 G HA3 0.004 3.964 3.960 0.001 0.000 0.212 42 G C -0.091 174.573 174.900 -0.392 0.000 1.144 42 G CA -0.111 44.299 45.100 -1.149 0.000 0.813 42 G HN 0.284 nan 8.290 nan 0.000 0.531 43 F N 0.485 120.271 119.950 -0.273 0.000 2.730 43 F HA 0.616 5.143 4.527 0.001 0.000 0.335 43 F C -0.248 175.515 175.800 -0.062 0.000 1.212 43 F CA -1.046 56.892 58.000 -0.102 0.000 1.016 43 F CB 1.862 40.849 39.000 -0.022 0.000 1.290 43 F HN -0.004 nan 8.300 nan 0.000 0.495 44 A N 5.889 128.426 122.820 -0.471 0.000 2.585 44 A HA 0.270 4.591 4.320 0.001 0.000 0.281 44 A C -0.945 176.442 177.584 -0.328 0.000 0.945 44 A CA -0.311 51.502 52.037 -0.373 0.000 1.031 44 A CB -0.664 17.975 19.000 -0.602 0.000 1.221 44 A HN 0.621 nan 8.150 nan 0.000 0.496 45 F N 2.480 121.970 119.950 -0.766 0.000 2.519 45 F HA 0.160 4.688 4.527 0.001 0.000 0.375 45 F C 1.698 177.374 175.800 -0.207 0.000 1.084 45 F CA 0.765 58.466 58.000 -0.498 0.000 1.147 45 F CB 0.824 39.431 39.000 -0.654 0.000 1.088 45 F HN 0.343 nan 8.300 nan 0.000 0.555 46 S N 2.968 118.456 115.700 -0.354 0.000 2.382 46 S HA -0.140 4.331 4.470 0.001 0.000 0.228 46 S C 2.171 176.671 174.600 -0.165 0.000 1.027 46 S CA 0.902 58.881 58.200 -0.368 0.000 0.991 46 S CB -0.959 61.834 63.200 -0.678 0.000 0.823 46 S HN 0.784 nan 8.310 nan 0.000 0.469 47 G N 0.506 109.248 108.800 -0.097 0.000 2.625 47 G HA2 0.302 4.263 3.960 0.001 0.000 0.214 47 G HA3 0.302 4.263 3.960 0.001 0.000 0.214 47 G C 1.083 176.168 174.900 0.307 0.000 1.132 47 G CA 0.488 45.679 45.100 0.152 0.000 0.782 47 G HN 0.818 nan 8.290 nan 0.000 0.538 48 A N -0.429 122.624 122.820 0.388 0.000 2.469 48 A HA 0.452 4.773 4.320 0.001 0.000 0.245 48 A C 2.066 179.811 177.584 0.269 0.000 1.221 48 A CA 0.008 52.238 52.037 0.323 0.000 0.946 48 A CB 0.007 19.230 19.000 0.373 0.000 1.049 48 A HN 0.185 nan 8.150 nan 0.000 0.529 49 M N 0.269 119.999 119.600 0.217 0.000 2.159 49 M HA -0.101 4.380 4.480 0.001 0.000 0.263 49 M C 1.996 178.398 176.300 0.169 0.000 1.063 49 M CA 1.573 56.993 55.300 0.201 0.000 1.110 49 M CB -0.933 31.761 32.600 0.156 0.000 1.374 49 M HN 0.543 nan 8.290 nan 0.000 0.411 50 K N 0.698 121.184 120.400 0.143 0.000 2.097 50 K HA -0.097 4.224 4.320 0.001 0.000 0.205 50 K C 1.873 178.543 176.600 0.118 0.000 1.050 50 K CA 1.005 57.356 56.287 0.107 0.000 0.938 50 K CB -0.040 32.509 32.500 0.083 0.000 0.718 50 K HN 0.241 nan 8.250 nan 0.000 0.442 51 I N 0.747 121.412 120.570 0.158 0.000 2.142 51 I HA -0.283 3.888 4.170 0.001 0.000 0.240 51 I C 2.235 178.522 176.117 0.283 0.000 1.078 51 I CA 0.930 62.349 61.300 0.199 0.000 1.343 51 I CB -0.208 37.917 38.000 0.208 0.000 1.046 51 I HN -0.060 nan 8.210 nan 0.000 0.405 52 V N 1.074 121.145 119.914 0.262 0.000 2.324 52 V HA -0.267 3.854 4.120 0.001 0.000 0.250 52 V C 2.476 178.717 176.094 0.245 0.000 1.060 52 V CA 2.198 64.658 62.300 0.266 0.000 1.042 52 V CB -1.500 30.465 31.823 0.237 0.000 0.650 52 V HN 0.623 nan 8.190 nan 0.000 0.450 53 G N -0.755 108.143 108.800 0.163 0.000 2.559 53 G HA2 -0.167 3.794 3.960 0.001 0.000 0.216 53 G HA3 -0.167 3.794 3.960 0.001 0.000 0.216 53 G C 1.348 176.263 174.900 0.025 0.000 1.126 53 G CA 0.494 45.650 45.100 0.092 0.000 0.778 53 G HN 0.614 nan 8.290 nan 0.000 0.543 54 E N -0.857 119.331 120.200 -0.020 0.000 2.208 54 E HA -0.059 4.292 4.350 0.001 0.000 0.193 54 E C 1.436 177.814 176.600 -0.371 0.000 0.988 54 E CA 0.753 56.999 56.400 -0.257 0.000 0.828 54 E CB -0.043 29.386 29.700 -0.452 0.000 0.763 54 E HN 0.707 nan 8.360 nan 0.000 0.478 55 Y N -0.246 120.052 120.300 -0.003 0.000 2.559 55 Y HA 0.219 4.770 4.550 0.001 0.000 0.279 55 Y C 1.103 176.990 175.900 -0.022 0.000 1.117 55 Y CA -0.139 57.952 58.100 -0.015 0.000 1.263 55 Y CB 0.624 39.075 38.460 -0.015 0.000 1.230 55 Y HN -0.159 nan 8.280 nan 0.000 0.528 56 L N 0.345 121.661 121.223 0.154 0.000 2.365 56 L HA 0.368 4.709 4.340 0.001 0.000 0.267 56 L C 0.879 177.765 176.870 0.026 0.000 1.033 56 L CA -0.909 53.973 54.840 0.068 0.000 0.802 56 L CB 1.156 43.254 42.059 0.064 0.000 1.267 56 L HN -0.131 nan 8.230 nan 0.000 0.457 57 K N 0.553 120.949 120.400 -0.007 0.000 2.361 57 K HA 0.303 4.624 4.320 0.001 0.000 0.196 57 K C 0.458 177.044 176.600 -0.022 0.000 1.039 57 K CA 0.287 56.559 56.287 -0.026 0.000 1.001 57 K CB 0.792 33.266 32.500 -0.044 0.000 0.795 57 K HN 0.860 nan 8.250 nan 0.000 0.495 58 G N -0.449 108.347 108.800 -0.007 0.000 2.336 58 G HA2 0.160 4.121 3.960 0.001 0.000 0.286 58 G HA3 0.160 4.121 3.960 0.001 0.000 0.286 58 G C -1.505 173.413 174.900 0.030 0.000 1.269 58 G CA -0.804 44.308 45.100 0.019 0.000 0.873 58 G HN 0.042 nan 8.290 nan 0.000 0.494 59 C N -0.051 119.288 119.300 0.066 0.000 2.493 59 C HA 0.845 5.306 4.460 0.001 0.000 0.326 59 C C 0.495 175.519 174.990 0.058 0.000 1.200 59 C CA -0.354 58.710 59.018 0.076 0.000 1.739 59 C CB 1.156 28.977 27.740 0.135 0.000 2.300 59 C HN 0.768 nan 8.230 nan 0.000 0.500 60 T N 1.821 116.392 114.554 0.028 0.000 2.837 60 T HA 0.509 4.859 4.350 0.001 0.000 0.285 60 T C -0.419 174.323 174.700 0.071 0.000 0.984 60 T CA -0.149 61.980 62.100 0.048 0.000 1.049 60 T CB 0.385 69.258 68.868 0.008 0.000 0.947 60 T HN 0.792 nan 8.240 nan 0.000 0.472 61 C N 2.045 121.399 119.300 0.089 0.000 2.626 61 C HA 0.520 4.981 4.460 0.001 0.000 0.310 61 C C 1.624 176.652 174.990 0.063 0.000 1.191 61 C CA -0.836 58.231 59.018 0.082 0.000 1.517 61 C CB 1.556 29.359 27.740 0.105 0.000 2.102 61 C HN 1.010 nan 8.230 nan 0.000 0.479 62 S N 0.629 116.343 115.700 0.023 0.000 2.575 62 S HA 0.527 4.997 4.470 0.001 0.000 0.215 62 S C 0.595 175.121 174.600 -0.123 0.000 0.966 62 S CA 0.451 58.621 58.200 -0.051 0.000 0.911 62 S CB 0.041 63.209 63.200 -0.053 0.000 0.780 62 S HN 1.635 nan 8.310 nan 0.000 0.514 63 G N 0.574 109.360 108.800 -0.024 0.000 2.367 63 G HA2 0.286 4.247 3.960 0.001 0.000 0.272 63 G HA3 0.286 4.247 3.960 0.001 0.000 0.272 63 G C -0.206 174.732 174.900 0.063 0.000 1.271 63 G CA -0.243 44.852 45.100 -0.010 0.000 0.893 63 G HN 0.279 nan 8.290 nan 0.000 0.485 64 L N -0.648 120.601 121.223 0.044 0.000 2.027 64 L HA 0.223 4.563 4.340 0.001 0.000 0.206 64 L C 2.486 179.529 176.870 0.288 0.000 1.074 64 L CA 2.165 57.080 54.840 0.125 0.000 0.745 64 L CB -0.660 41.454 42.059 0.092 0.000 0.898 64 L HN 0.624 nan 8.230 nan 0.000 0.433 65 W N 0.672 121.991 121.300 0.032 0.000 2.358 65 W HA -0.136 4.524 4.660 0.001 0.000 0.303 65 W C 2.640 179.210 176.519 0.085 0.000 1.208 65 W CA 1.310 58.685 57.345 0.051 0.000 1.274 65 W CB -0.921 28.552 29.460 0.021 0.000 1.138 65 W HN 0.304 nan 8.180 nan 0.000 0.515 66 E N -0.423 119.940 120.200 0.272 0.000 2.106 66 E HA -0.105 4.246 4.350 0.001 0.000 0.192 66 E C 2.297 179.036 176.600 0.231 0.000 0.984 66 E CA 1.197 57.713 56.400 0.194 0.000 0.806 66 E CB -0.335 29.421 29.700 0.094 0.000 0.750 66 E HN 0.140 nan 8.360 nan 0.000 0.458 67 A N 1.789 124.722 122.820 0.189 0.000 1.873 67 A HA -0.201 4.120 4.320 0.001 0.000 0.215 67 A C 1.960 179.640 177.584 0.160 0.000 1.186 67 A CA 1.350 53.478 52.037 0.153 0.000 0.616 67 A CB -0.261 18.802 19.000 0.104 0.000 0.823 67 A HN 0.030 nan 8.150 nan 0.000 0.442 68 K N -1.512 118.994 120.400 0.177 0.000 2.063 68 K HA -0.165 4.156 4.320 0.001 0.000 0.208 68 K C 1.747 178.447 176.600 0.167 0.000 1.048 68 K CA 1.699 58.073 56.287 0.144 0.000 0.928 68 K CB -0.363 32.220 32.500 0.139 0.000 0.713 68 K HN 0.501 nan 8.250 nan 0.000 0.442 69 F N 1.402 121.420 119.950 0.113 0.000 2.102 69 F HA -0.233 4.294 4.527 0.001 0.000 0.298 69 F C 2.258 178.178 175.800 0.200 0.000 1.105 69 F CA 1.471 59.584 58.000 0.187 0.000 1.239 69 F CB -0.313 38.767 39.000 0.133 0.000 0.991 69 F HN 0.001 nan 8.300 nan 0.000 0.474 70 A N 0.043 123.067 122.820 0.341 0.000 1.883 70 A HA -0.291 4.030 4.320 0.001 0.000 0.217 70 A C 2.115 179.757 177.584 0.096 0.000 1.186 70 A CA 2.172 54.339 52.037 0.217 0.000 0.624 70 A CB -0.843 18.276 19.000 0.199 0.000 0.822 70 A HN 0.387 nan 8.150 nan 0.000 0.444 71 K N 0.244 120.683 120.400 0.065 0.000 2.026 71 K HA -0.161 4.160 4.320 0.001 0.000 0.208 71 K C 1.990 178.544 176.600 -0.077 0.000 1.048 71 K CA 2.111 58.403 56.287 0.009 0.000 0.929 71 K CB -0.322 32.180 32.500 0.003 0.000 0.713 71 K HN 0.633 nan 8.250 nan 0.000 0.439 72 E N -1.204 118.901 120.200 -0.159 0.000 2.016 72 E HA -0.176 4.175 4.350 0.001 0.000 0.190 72 E C 1.859 178.154 176.600 -0.508 0.000 0.985 72 E CA 1.154 57.327 56.400 -0.379 0.000 0.802 72 E CB -0.262 29.097 29.700 -0.568 0.000 0.762 72 E HN 0.422 nan 8.360 nan 0.000 0.448 73 Y N -0.069 120.041 120.300 -0.317 0.000 2.200 73 Y HA -0.117 4.434 4.550 0.001 0.000 0.290 73 Y C 2.448 178.273 175.900 -0.126 0.000 1.137 73 Y CA 1.519 59.444 58.100 -0.292 0.000 1.163 73 Y CB -0.198 37.925 38.460 -0.563 0.000 0.988 73 Y HN 0.157 nan 8.280 nan 0.000 0.518 74 M N -1.135 118.498 119.600 0.054 0.000 2.691 74 M HA 0.047 4.528 4.480 0.001 0.000 0.261 74 M C 0.036 176.354 176.300 0.030 0.000 1.227 74 M CA 0.870 56.207 55.300 0.062 0.000 1.197 74 M CB 0.611 33.273 32.600 0.102 0.000 1.294 74 M HN 0.078 nan 8.290 nan 0.000 0.508 75 D N 2.315 122.729 120.400 0.023 0.000 2.723 75 D HA -0.165 4.476 4.640 0.001 0.000 0.236 75 D C -0.587 175.733 176.300 0.034 0.000 1.138 75 D CA 0.940 54.953 54.000 0.021 0.000 0.676 75 D CB -0.397 40.398 40.800 -0.008 0.000 1.069 75 D HN 0.488 nan 8.370 nan 0.000 0.430 76 K N -0.477 119.949 120.400 0.044 0.000 2.209 76 K HA 0.433 4.753 4.320 0.001 0.000 0.252 76 K C 0.287 176.888 176.600 0.003 0.000 1.062 76 K CA -0.907 55.386 56.287 0.011 0.000 1.003 76 K CB 0.585 33.086 32.500 0.001 0.000 1.495 76 K HN -0.012 nan 8.250 nan 0.000 0.641 77 E N 1.065 121.205 120.200 -0.100 0.000 2.413 77 E HA 0.073 4.424 4.350 0.001 0.000 0.263 77 E C -0.590 176.090 176.600 0.133 0.000 1.015 77 E CA 0.398 56.671 56.400 -0.210 0.000 0.916 77 E CB 0.461 30.054 29.700 -0.179 0.000 0.947 77 E HN 0.222 nan 8.360 nan 0.000 0.440 78 I N 3.069 123.842 120.570 0.337 0.000 2.436 78 I HA 0.219 4.390 4.170 0.001 0.000 0.289 78 I C -0.330 175.836 176.117 0.082 0.000 1.010 78 I CA -0.525 60.916 61.300 0.234 0.000 1.098 78 I CB 1.219 39.318 38.000 0.165 0.000 1.266 78 I HN 0.373 nan 8.210 nan 0.000 0.434 79 H N 4.406 123.447 119.070 -0.048 0.000 2.589 79 H HA 0.411 4.968 4.556 0.001 0.000 0.335 79 H C -0.958 174.359 175.328 -0.018 0.000 1.019 79 H CA -0.587 55.403 56.048 -0.097 0.000 1.213 79 H CB 2.200 31.823 29.762 -0.230 0.000 1.472 79 H HN 0.425 nan 8.280 nan 0.000 0.508 80 T N 3.508 118.111 114.554 0.081 0.000 2.824 80 T HA 0.229 4.579 4.350 0.001 0.000 0.282 80 T C -1.191 173.615 174.700 0.178 0.000 0.993 80 T CA -0.649 61.520 62.100 0.116 0.000 0.967 80 T CB 1.142 70.069 68.868 0.099 0.000 0.960 80 T HN 0.450 nan 8.240 nan 0.000 0.441 81 Y N 1.952 122.259 120.300 0.012 0.000 2.406 81 Y HA 0.677 5.228 4.550 0.001 0.000 0.340 81 Y C -0.744 175.004 175.900 -0.254 0.000 0.975 81 Y CA -0.738 57.307 58.100 -0.091 0.000 1.056 81 Y CB 1.916 40.241 38.460 -0.225 0.000 1.210 81 Y HN 0.619 nan 8.280 nan 0.000 0.448 82 S N 6.097 120.841 115.700 -1.593 0.000 2.540 82 S HA 0.510 4.981 4.470 0.001 0.000 0.275 82 S C -2.579 171.203 174.600 -1.362 0.000 1.123 82 S CA -1.681 55.588 58.200 -1.551 0.000 0.907 82 S CB 1.944 64.196 63.200 -1.579 0.000 1.081 82 S HN 0.538 nan 8.310 nan 0.000 0.476 83 P HA 0.234 nan 4.420 nan 0.000 0.233 83 P C -0.203 176.939 177.300 -0.263 0.000 1.167 83 P CA 0.533 63.422 63.100 -0.352 0.000 0.770 83 P CB 0.236 31.851 31.700 -0.142 0.000 0.837 84 A N -0.869 121.716 122.820 -0.391 0.000 3.300 84 A HA 0.397 4.718 4.320 0.001 0.000 0.300 84 A C -0.685 176.769 177.584 -0.217 0.000 1.099 84 A CA -0.506 51.408 52.037 -0.204 0.000 0.846 84 A CB -0.819 18.101 19.000 -0.133 0.000 1.255 84 A HN -0.158 nan 8.150 nan 0.000 0.519 85 F N 1.332 121.286 119.950 0.007 0.000 2.529 85 F HA 0.283 4.811 4.527 0.001 0.000 0.365 85 F C 1.060 176.878 175.800 0.031 0.000 1.102 85 F CA 0.860 58.819 58.000 -0.068 0.000 1.271 85 F CB 0.807 39.677 39.000 -0.217 0.000 1.120 85 F HN 0.303 nan 8.300 nan 0.000 0.579 86 K N 2.482 122.968 120.400 0.144 0.000 2.118 86 K HA 0.215 4.536 4.320 0.001 0.000 0.254 86 K C 0.855 177.533 176.600 0.130 0.000 0.961 86 K CA -0.733 55.645 56.287 0.152 0.000 0.876 86 K CB 1.564 34.098 32.500 0.057 0.000 1.077 86 K HN 0.618 nan 8.250 nan 0.000 0.440 87 E N 1.178 121.537 120.200 0.264 0.000 2.085 87 E HA -0.238 4.113 4.350 0.001 0.000 0.194 87 E C 1.076 177.738 176.600 0.103 0.000 0.994 87 E CA 1.782 58.339 56.400 0.261 0.000 0.801 87 E CB 0.032 29.865 29.700 0.222 0.000 0.743 87 E HN 0.622 nan 8.360 nan 0.000 0.453 88 D N 0.548 120.988 120.400 0.066 0.000 2.348 88 D HA -0.180 4.461 4.640 0.001 0.000 0.216 88 D C 1.404 177.711 176.300 0.011 0.000 0.970 88 D CA 1.024 55.045 54.000 0.036 0.000 0.889 88 D CB -0.224 40.594 40.800 0.031 0.000 0.912 88 D HN 0.527 nan 8.370 nan 0.000 0.524 89 E N -0.679 119.511 120.200 -0.016 0.000 2.490 89 E HA 0.050 4.401 4.350 0.001 0.000 0.209 89 E C 1.737 178.282 176.600 -0.092 0.000 0.971 89 E CA -0.442 55.939 56.400 -0.032 0.000 0.988 89 E CB -0.368 29.320 29.700 -0.021 0.000 1.029 89 E HN 0.142 nan 8.360 nan 0.000 0.496 90 I N 2.561 123.021 120.570 -0.182 0.000 2.361 90 I HA -0.055 4.116 4.170 0.001 0.000 0.251 90 I C 2.089 178.088 176.117 -0.195 0.000 1.133 90 I CA 1.719 62.819 61.300 -0.333 0.000 1.413 90 I CB -0.422 37.200 38.000 -0.631 0.000 1.073 90 I HN 0.231 nan 8.210 nan 0.000 0.424 91 G N -0.480 108.261 108.800 -0.097 0.000 2.433 91 G HA2 -0.315 3.646 3.960 0.001 0.000 0.216 91 G HA3 -0.315 3.646 3.960 0.001 0.000 0.216 91 G C 1.619 176.485 174.900 -0.056 0.000 1.186 91 G CA 0.891 45.958 45.100 -0.055 0.000 0.779 91 G HN 0.512 nan 8.290 nan 0.000 0.543 92 E N -0.070 120.104 120.200 -0.042 0.000 2.072 92 E HA -0.057 4.294 4.350 0.001 0.000 0.191 92 E C 2.520 179.092 176.600 -0.046 0.000 0.985 92 E CA 0.540 56.923 56.400 -0.028 0.000 0.801 92 E CB -0.175 29.527 29.700 0.005 0.000 0.750 92 E HN 0.511 nan 8.360 nan 0.000 0.452 93 I N 0.894 121.421 120.570 -0.072 0.000 2.208 93 I HA -0.287 3.883 4.170 0.001 0.000 0.245 93 I C 2.490 178.526 176.117 -0.136 0.000 1.097 93 I CA 1.113 62.355 61.300 -0.096 0.000 1.363 93 I CB -0.272 37.641 38.000 -0.145 0.000 1.051 93 I HN 0.193 nan 8.210 nan 0.000 0.413 94 A N 0.479 123.207 122.820 -0.153 0.000 1.930 94 A HA -0.208 4.112 4.320 0.001 0.000 0.217 94 A C 2.487 180.003 177.584 -0.113 0.000 1.175 94 A CA 1.915 53.870 52.037 -0.137 0.000 0.627 94 A CB -0.816 18.121 19.000 -0.105 0.000 0.815 94 A HN 0.519 nan 8.150 nan 0.000 0.443 95 S N -0.273 115.374 115.700 -0.089 0.000 2.419 95 S HA -0.067 4.404 4.470 0.001 0.000 0.233 95 S C 1.714 176.249 174.600 -0.108 0.000 1.016 95 S CA 1.559 59.711 58.200 -0.081 0.000 0.974 95 S CB -0.481 62.688 63.200 -0.052 0.000 0.786 95 S HN 0.453 nan 8.310 nan 0.000 0.492 96 L N 0.600 121.758 121.223 -0.108 0.000 2.408 96 L HA 0.268 4.608 4.340 0.001 0.000 0.215 96 L C 0.636 177.390 176.870 -0.193 0.000 1.081 96 L CA 0.046 54.819 54.840 -0.111 0.000 0.840 96 L CB -0.098 41.935 42.059 -0.044 0.000 1.002 96 L HN 0.171 nan 8.230 nan 0.000 0.468 97 S N -1.258 114.320 115.700 -0.203 0.000 2.525 97 S HA 0.184 4.655 4.470 0.001 0.000 0.278 97 S C 0.419 174.814 174.600 -0.342 0.000 1.234 97 S CA -0.515 57.561 58.200 -0.206 0.000 1.058 97 S CB 1.277 64.390 63.200 -0.145 0.000 0.983 97 S HN 0.179 nan 8.310 nan 0.000 0.495 98 H N 1.028 119.985 119.070 -0.189 0.000 2.355 98 H HA 0.155 4.711 4.556 0.001 0.000 0.303 98 H C 0.337 175.606 175.328 -0.098 0.000 1.061 98 H CA 1.051 56.992 56.048 -0.179 0.000 1.368 98 H CB 0.123 29.711 29.762 -0.290 0.000 1.412 98 H HN 0.599 nan 8.280 nan 0.000 0.523 99 H N -0.428 118.379 119.070 -0.439 0.000 2.492 99 H HA 0.471 5.028 4.556 0.001 0.000 0.345 99 H C -0.680 174.501 175.328 -0.245 0.000 1.136 99 H CA -0.739 55.075 56.048 -0.391 0.000 1.202 99 H CB 2.125 31.412 29.762 -0.792 0.000 1.524 99 H HN 0.024 nan 8.280 nan 0.000 0.506 100 I N 3.165 123.693 120.570 -0.070 0.000 2.466 100 I HA 0.178 4.349 4.170 0.001 0.000 0.289 100 I C -0.673 175.297 176.117 -0.245 0.000 1.026 100 I CA -0.824 60.345 61.300 -0.219 0.000 1.078 100 I CB 2.171 39.901 38.000 -0.449 0.000 1.249 100 I HN 0.209 nan 8.210 nan 0.000 0.429 101 V N 6.454 126.300 119.914 -0.112 0.000 2.398 101 V HA 0.411 4.531 4.120 0.001 0.000 0.286 101 V C -0.344 175.755 176.094 0.008 0.000 1.026 101 V CA -0.507 61.793 62.300 -0.000 0.000 0.868 101 V CB 1.211 33.092 31.823 0.096 0.000 0.982 101 V HN 0.342 nan 8.190 nan 0.000 0.443 102 F N 2.583 122.710 119.950 0.294 0.000 2.377 102 F HA 0.378 4.905 4.527 0.001 0.000 0.328 102 F C 1.489 177.462 175.800 0.288 0.000 1.094 102 F CA -0.487 57.703 58.000 0.317 0.000 1.093 102 F CB 0.810 39.963 39.000 0.255 0.000 1.214 102 F HN 0.491 nan 8.300 nan 0.000 0.518 103 N N -0.293 118.676 118.700 0.448 0.000 2.405 103 N HA -0.043 4.698 4.740 0.001 0.000 0.175 103 N C -0.328 175.345 175.510 0.271 0.000 1.051 103 N CA 0.460 53.734 53.050 0.373 0.000 0.899 103 N CB 0.381 39.006 38.487 0.230 0.000 1.000 103 N HN 0.609 nan 8.380 nan 0.000 0.451 104 S N -1.199 114.647 115.700 0.243 0.000 2.588 104 S HA 0.357 4.828 4.470 0.001 0.000 0.275 104 S C 0.941 175.572 174.600 0.052 0.000 1.130 104 S CA -0.820 57.460 58.200 0.134 0.000 0.855 104 S CB 1.204 64.460 63.200 0.094 0.000 1.116 104 S HN 0.025 nan 8.310 nan 0.000 0.472 105 L N 1.111 122.298 121.223 -0.060 0.000 2.093 105 L HA 0.009 4.350 4.340 0.001 0.000 0.208 105 L C 3.033 179.614 176.870 -0.482 0.000 1.085 105 L CA 1.632 56.300 54.840 -0.286 0.000 0.755 105 L CB -0.994 40.890 42.059 -0.293 0.000 0.904 105 L HN 0.944 nan 8.230 nan 0.000 0.435 106 A N -0.575 122.114 122.820 -0.218 0.000 1.908 106 A HA -0.232 4.089 4.320 0.001 0.000 0.218 106 A C 2.307 179.778 177.584 -0.188 0.000 1.181 106 A CA 1.461 53.401 52.037 -0.162 0.000 0.627 106 A CB -0.402 18.559 19.000 -0.064 0.000 0.818 106 A HN 0.425 nan 8.150 nan 0.000 0.445 107 Q N -1.620 118.129 119.800 -0.084 0.000 2.046 107 Q HA -0.163 4.178 4.340 0.001 0.000 0.200 107 Q C 2.001 177.820 176.000 -0.302 0.000 0.975 107 Q CA 1.519 57.332 55.803 0.017 0.000 0.836 107 Q CB -0.491 28.455 28.738 0.347 0.000 0.896 107 Q HN 0.732 nan 8.270 nan 0.000 0.428 108 F N 1.550 121.070 119.950 -0.717 0.000 2.065 108 F HA -0.264 4.264 4.527 0.001 0.000 0.298 108 F C 1.961 177.393 175.800 -0.614 0.000 1.112 108 F CA 2.049 59.353 58.000 -1.161 0.000 1.212 108 F CB -0.904 37.715 39.000 -0.635 0.000 0.975 108 F HN 0.210 nan 8.300 nan 0.000 0.476 109 H N -0.572 118.103 119.070 -0.657 0.000 2.387 109 H HA -0.147 4.409 4.556 0.001 0.000 0.299 109 H C 2.326 177.358 175.328 -0.493 0.000 1.090 109 H CA 1.298 56.940 56.048 -0.676 0.000 1.332 109 H CB -0.163 29.320 29.762 -0.466 0.000 1.386 109 H HN 0.281 nan 8.280 nan 0.000 0.516 110 K N 0.618 120.793 120.400 -0.376 0.000 2.057 110 K HA -0.131 4.190 4.320 0.001 0.000 0.207 110 K C 0.604 176.854 176.600 -0.584 0.000 1.049 110 K CA 1.405 57.359 56.287 -0.555 0.000 0.931 110 K CB 0.132 32.122 32.500 -0.851 0.000 0.714 110 K HN 0.165 nan 8.250 nan 0.000 0.440 111 F N 0.591 120.439 119.950 -0.170 0.000 2.678 111 F HA 0.199 4.727 4.527 0.001 0.000 0.305 111 F C 2.043 177.825 175.800 -0.029 0.000 1.090 111 F CA -0.253 57.703 58.000 -0.072 0.000 1.272 111 F CB -0.062 38.959 39.000 0.035 0.000 1.060 111 F HN 0.126 nan 8.300 nan 0.000 0.576 112 Q N 0.967 120.778 119.800 0.018 0.000 2.112 112 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 112 Q C 2.168 178.228 176.000 0.099 0.000 0.987 112 Q CA 2.550 58.405 55.803 0.086 0.000 0.858 112 Q CB -0.107 28.568 28.738 -0.105 0.000 0.905 112 Q HN 0.385 nan 8.270 nan 0.000 0.420 113 S N -1.012 114.714 115.700 0.043 0.000 2.522 113 S HA 0.019 4.490 4.470 0.001 0.000 0.227 113 S C 1.293 175.932 174.600 0.065 0.000 0.986 113 S CA 0.449 58.672 58.200 0.038 0.000 0.929 113 S CB 0.149 63.350 63.200 0.001 0.000 0.769 113 S HN 0.315 nan 8.310 nan 0.000 0.529 114 K N 1.245 121.709 120.400 0.107 0.000 2.358 114 K HA 0.118 4.439 4.320 0.001 0.000 0.197 114 K C 0.284 176.931 176.600 0.077 0.000 1.025 114 K CA 0.668 57.013 56.287 0.096 0.000 1.104 114 K CB 0.613 33.198 32.500 0.141 0.000 0.855 114 K HN 0.610 nan 8.250 nan 0.000 0.531 115 T N -2.660 111.960 114.554 0.110 0.000 3.487 115 T HA 0.178 4.529 4.350 0.001 0.000 0.287 115 T C 0.812 175.574 174.700 0.104 0.000 1.004 115 T CA -0.474 61.686 62.100 0.100 0.000 0.977 115 T CB 0.451 69.428 68.868 0.182 0.000 1.180 115 T HN -0.063 nan 8.240 nan 0.000 0.490 116 Q N 1.073 120.920 119.800 0.078 0.000 2.297 116 Q HA 0.096 4.436 4.340 0.001 0.000 0.204 116 Q C 1.676 177.712 176.000 0.060 0.000 0.962 116 Q CA 0.809 56.657 55.803 0.075 0.000 0.879 116 Q CB 0.020 28.792 28.738 0.057 0.000 0.947 116 Q HN 0.528 nan 8.270 nan 0.000 0.462 117 K N 0.332 120.756 120.400 0.039 0.000 2.404 117 K HA 0.115 4.436 4.320 0.001 0.000 0.194 117 K C -0.008 176.605 176.600 0.021 0.000 1.023 117 K CA 0.040 56.342 56.287 0.026 0.000 1.094 117 K CB 0.348 32.849 32.500 0.001 0.000 0.841 117 K HN 0.175 nan 8.250 nan 0.000 0.523 118 N N 0.934 119.651 118.700 0.029 0.000 2.466 118 N HA 0.049 4.790 4.740 0.001 0.000 0.294 118 N C -0.844 174.705 175.510 0.065 0.000 1.129 118 N CA -0.208 52.854 53.050 0.019 0.000 0.931 118 N CB 1.828 40.305 38.487 -0.017 0.000 1.193 118 N HN -0.173 nan 8.380 nan 0.000 0.500 119 S N 1.141 116.880 115.700 0.065 0.000 2.465 119 S HA 0.372 4.843 4.470 0.001 0.000 0.279 119 S C -0.178 174.488 174.600 0.111 0.000 1.201 119 S CA -0.679 57.576 58.200 0.090 0.000 1.053 119 S CB -0.302 62.928 63.200 0.050 0.000 0.953 119 S HN 0.278 nan 8.310 nan 0.000 0.488 120 L N 4.568 125.873 121.223 0.136 0.000 2.325 120 L HA 0.754 5.095 4.340 0.001 0.000 0.279 120 L C 0.886 177.778 176.870 0.037 0.000 1.054 120 L CA -0.714 54.196 54.840 0.118 0.000 0.804 120 L CB 1.489 43.654 42.059 0.176 0.000 1.200 120 L HN 0.736 nan 8.230 nan 0.000 0.436 121 G N 2.412 111.250 108.800 0.064 0.000 2.730 121 G HA2 0.790 4.751 3.960 0.001 0.000 0.289 121 G HA3 0.790 4.751 3.960 0.001 0.000 0.289 121 G C -1.448 173.460 174.900 0.014 0.000 1.341 121 G CA -0.646 44.413 45.100 -0.069 0.000 0.932 121 G HN 0.373 nan 8.290 nan 0.000 0.481 122 L N 0.334 121.570 121.223 0.022 0.000 2.385 122 L HA 0.540 4.881 4.340 0.001 0.000 0.273 122 L C 0.255 177.250 176.870 0.208 0.000 0.990 122 L CA -0.869 54.042 54.840 0.119 0.000 0.821 122 L CB 2.458 44.546 42.059 0.048 0.000 1.279 122 L HN 0.510 nan 8.230 nan 0.000 0.412 123 R N 1.655 122.291 120.500 0.227 0.000 2.389 123 R HA 0.393 4.733 4.340 0.001 0.000 0.295 123 R C -1.179 175.251 176.300 0.217 0.000 1.075 123 R CA -0.317 55.913 56.100 0.217 0.000 1.005 123 R CB 0.725 31.100 30.300 0.126 0.000 0.987 123 R HN 0.639 nan 8.270 nan 0.000 0.452 124 C N 4.248 123.607 119.300 0.098 0.000 2.295 124 C HA 0.250 4.711 4.460 0.001 0.000 0.331 124 C C 0.170 175.176 174.990 0.027 0.000 1.280 124 C CA -0.993 57.962 59.018 -0.105 0.000 1.746 124 C CB 0.486 27.785 27.740 -0.735 0.000 2.328 124 C HN 0.741 nan 8.230 nan 0.000 0.521 125 N N 2.106 120.924 118.700 0.196 0.000 2.402 125 N HA 0.090 4.831 4.740 0.001 0.000 0.252 125 N C 0.884 176.565 175.510 0.285 0.000 1.118 125 N CA -0.230 52.951 53.050 0.219 0.000 0.945 125 N CB 1.087 39.712 38.487 0.230 0.000 1.147 125 N HN 0.618 nan 8.380 nan 0.000 0.495 126 V N 0.622 120.650 119.914 0.190 0.000 3.041 126 V HA 0.103 4.223 4.120 0.001 0.000 0.260 126 V C 0.258 176.486 176.094 0.224 0.000 1.105 126 V CA 0.495 62.942 62.300 0.244 0.000 1.125 126 V CB -1.167 30.672 31.823 0.028 0.000 0.730 126 V HN 0.764 nan 8.190 nan 0.000 0.479 127 E N -0.351 119.956 120.200 0.179 0.000 2.246 127 E HA -0.252 4.098 4.350 0.001 0.000 0.211 127 E C -0.601 176.108 176.600 0.182 0.000 1.278 127 E CA 0.625 57.106 56.400 0.136 0.000 0.694 127 E CB -1.641 28.127 29.700 0.112 0.000 1.166 127 E HN 0.719 nan 8.360 nan 0.000 0.370 128 F N 1.199 121.136 119.950 -0.021 0.000 2.539 128 F HA 0.359 4.886 4.527 0.001 0.000 0.318 128 F C 0.624 176.395 175.800 -0.049 0.000 1.135 128 F CA -0.332 57.644 58.000 -0.040 0.000 0.915 128 F CB 1.097 40.062 39.000 -0.058 0.000 1.176 128 F HN 0.033 nan 8.300 nan 0.000 0.440 141 R N 0.236 120.658 120.500 -0.130 0.000 2.537 141 R HA 0.351 4.692 4.340 0.001 0.000 0.280 141 R C 0.390 176.540 176.300 -0.250 0.000 1.058 141 R CA 0.022 55.925 56.100 -0.328 0.000 1.057 141 R CB -0.048 29.918 30.300 -0.557 0.000 0.973 141 R HN 0.380 nan 8.270 nan 0.000 0.438 142 Y N -0.695 119.628 120.300 0.037 0.000 4.668 142 Y HA -0.319 4.232 4.550 0.001 0.000 0.234 142 Y C 0.538 176.467 175.900 0.049 0.000 1.056 142 Y CA 0.894 59.018 58.100 0.041 0.000 2.025 142 Y CB -2.366 36.112 38.460 0.031 0.000 1.613 142 Y HN 0.548 nan 8.280 nan 0.000 0.653 143 S N 1.186 116.972 115.700 0.143 0.000 2.558 143 S HA 0.093 4.564 4.470 0.001 0.000 0.293 143 S C 1.508 176.193 174.600 0.140 0.000 1.292 143 S CA 0.210 58.487 58.200 0.129 0.000 1.063 143 S CB 0.500 63.762 63.200 0.102 0.000 0.831 143 S HN 0.517 nan 8.310 nan 0.000 0.499 144 R N 4.237 124.814 120.500 0.130 0.000 2.310 144 R HA 0.180 4.521 4.340 0.001 0.000 0.202 144 R C -0.201 176.187 176.300 0.145 0.000 0.933 144 R CA 0.199 56.374 56.100 0.125 0.000 1.054 144 R CB -0.279 30.080 30.300 0.099 0.000 0.985 144 R HN 0.518 nan 8.270 nan 0.000 0.489 145 L N 2.178 123.496 121.223 0.158 0.000 2.265 145 L HA 0.451 4.792 4.340 0.001 0.000 0.288 145 L C 0.408 177.395 176.870 0.196 0.000 1.058 145 L CA 0.291 55.248 54.840 0.195 0.000 0.809 145 L CB 1.485 43.657 42.059 0.188 0.000 1.179 145 L HN 0.504 nan 8.230 nan 0.000 0.429 146 G N 3.629 112.566 108.800 0.229 0.000 2.756 146 G HA2 -0.187 3.774 3.960 0.001 0.000 0.678 146 G HA3 -0.187 3.774 3.960 0.001 0.000 0.678 146 G C -0.982 174.066 174.900 0.246 0.000 1.349 146 G CA -0.912 44.327 45.100 0.231 0.000 0.847 146 G HN 0.488 nan 8.290 nan 0.000 0.548 147 I N 0.656 121.411 120.570 0.308 0.000 2.377 147 I HA 0.464 4.635 4.170 0.001 0.000 0.293 147 I C 0.969 177.361 176.117 0.459 0.000 0.987 147 I CA -0.745 60.777 61.300 0.370 0.000 1.185 147 I CB 1.669 39.936 38.000 0.445 0.000 1.341 147 I HN 0.534 nan 8.210 nan 0.000 0.455 148 R N 3.340 124.052 120.500 0.354 0.000 2.615 148 R HA 0.367 4.707 4.340 0.001 0.000 0.270 148 R C 1.204 177.655 176.300 0.251 0.000 1.081 148 R CA 0.095 56.385 56.100 0.316 0.000 1.154 148 R CB 0.610 31.022 30.300 0.185 0.000 1.063 148 R HN 0.811 nan 8.270 nan 0.000 0.519 149 A N 2.822 125.595 122.820 -0.080 0.000 1.908 149 A HA -0.244 4.077 4.320 0.001 0.000 0.218 149 A C 1.769 179.315 177.584 -0.065 0.000 1.181 149 A CA 1.962 53.691 52.037 -0.513 0.000 0.627 149 A CB -0.583 17.890 19.000 -0.879 0.000 0.818 149 A HN 0.853 nan 8.150 nan 0.000 0.445 150 K N -0.806 119.604 120.400 0.016 0.000 2.211 150 K HA -0.192 4.129 4.320 0.001 0.000 0.204 150 K C 0.521 177.195 176.600 0.124 0.000 1.047 150 K CA 1.720 58.060 56.287 0.087 0.000 0.935 150 K CB -0.378 32.161 32.500 0.065 0.000 0.728 150 K HN 0.262 nan 8.250 nan 0.000 0.452 151 D N -0.054 120.441 120.400 0.158 0.000 2.355 151 D HA -0.010 4.631 4.640 0.001 0.000 0.218 151 D C 1.009 177.378 176.300 0.115 0.000 1.004 151 D CA 0.472 54.559 54.000 0.145 0.000 0.880 151 D CB -0.041 40.847 40.800 0.147 0.000 0.911 151 D HN 0.196 nan 8.370 nan 0.000 0.528 152 F N 1.287 121.100 119.950 -0.227 0.000 2.558 152 F HA 0.042 4.569 4.527 0.001 0.000 0.298 152 F C 1.297 176.891 175.800 -0.343 0.000 1.119 152 F CA 0.241 57.923 58.000 -0.531 0.000 1.451 152 F CB -0.053 38.086 39.000 -1.435 0.000 1.091 152 F HN -0.261 nan 8.300 nan 0.000 0.563 153 E N 1.456 121.726 120.200 0.117 0.000 2.384 153 E HA -0.031 4.320 4.350 0.001 0.000 0.266 153 E C 0.545 177.225 176.600 0.134 0.000 1.012 153 E CA 0.263 56.808 56.400 0.242 0.000 0.901 153 E CB 0.277 30.117 29.700 0.235 0.000 0.967 153 E HN 0.226 nan 8.360 nan 0.000 0.435 154 N N -0.451 118.336 118.700 0.145 0.000 2.961 154 N HA -0.189 4.551 4.740 0.001 0.000 0.223 154 N C -0.142 175.399 175.510 0.053 0.000 0.866 154 N CA 0.962 54.064 53.050 0.087 0.000 1.030 154 N CB -1.278 37.247 38.487 0.063 0.000 1.037 154 N HN 0.214 nan 8.380 nan 0.000 0.608 155 V N 1.777 121.705 119.914 0.022 0.000 2.607 155 V HA 0.184 4.305 4.120 0.001 0.000 0.289 155 V C 0.640 176.748 176.094 0.024 0.000 1.053 155 V CA -0.665 61.639 62.300 0.005 0.000 0.996 155 V CB 1.594 33.377 31.823 -0.066 0.000 0.995 155 V HN 0.086 nan 8.190 nan 0.000 0.476 156 D N 3.690 124.121 120.400 0.052 0.000 2.358 156 D HA 0.151 4.792 4.640 0.001 0.000 0.258 156 D C 0.444 176.821 176.300 0.128 0.000 1.223 156 D CA 0.290 54.334 54.000 0.074 0.000 0.886 156 D CB 0.796 41.620 40.800 0.040 0.000 1.120 156 D HN 0.459 nan 8.370 nan 0.000 0.482 157 L N 3.379 124.660 121.223 0.096 0.000 2.769 157 L HA 0.211 4.552 4.340 0.001 0.000 0.240 157 L C 1.632 178.560 176.870 0.097 0.000 1.163 157 L CA -0.190 54.696 54.840 0.077 0.000 0.962 157 L CB -0.193 41.883 42.059 0.028 0.000 1.258 157 L HN 0.343 nan 8.230 nan 0.000 0.513 158 N N 1.288 120.055 118.700 0.112 0.000 2.137 158 N HA -0.202 4.538 4.740 0.001 0.000 0.190 158 N C 1.745 177.317 175.510 0.104 0.000 1.017 158 N CA 1.346 54.455 53.050 0.098 0.000 0.859 158 N CB 0.008 38.546 38.487 0.084 0.000 1.002 158 N HN 0.384 nan 8.380 nan 0.000 0.428 159 A N 0.085 122.999 122.820 0.155 0.000 2.251 159 A HA 0.145 4.466 4.320 0.001 0.000 0.209 159 A C 0.211 177.852 177.584 0.094 0.000 1.187 159 A CA 0.106 52.246 52.037 0.171 0.000 0.823 159 A CB 0.250 19.425 19.000 0.292 0.000 0.846 159 A HN 0.078 nan 8.150 nan 0.000 0.486 160 I N 0.582 121.150 120.570 -0.004 0.000 2.321 160 I HA 0.235 4.406 4.170 0.001 0.000 0.291 160 I C 0.472 176.511 176.117 -0.129 0.000 0.998 160 I CA 0.038 61.249 61.300 -0.148 0.000 1.227 160 I CB 0.959 38.803 38.000 -0.259 0.000 1.368 160 I HN 0.333 nan 8.210 nan 0.000 0.466 161 E N 3.623 123.699 120.200 -0.205 0.000 2.460 161 E HA 0.232 4.583 4.350 0.001 0.000 0.200 161 E C 0.776 176.868 176.600 -0.846 0.000 1.011 161 E CA -0.065 56.164 56.400 -0.285 0.000 0.912 161 E CB 1.171 30.841 29.700 -0.050 0.000 0.953 161 E HN 0.777 nan 8.360 nan 0.000 0.494 162 G N 0.749 108.827 108.800 -1.203 0.000 2.659 162 G HA2 0.621 4.582 3.960 0.001 0.000 0.296 162 G HA3 0.621 4.582 3.960 0.001 0.000 0.296 162 G C -1.277 173.108 174.900 -0.859 0.000 1.369 162 G CA -0.635 43.262 45.100 -2.004 0.000 0.937 162 G HN -0.071 nan 8.290 nan 0.000 0.485 163 L N 1.182 122.154 121.223 -0.419 0.000 2.342 163 L HA 0.585 4.926 4.340 0.001 0.000 0.271 163 L C -0.536 176.407 176.870 0.121 0.000 1.008 163 L CA -1.134 53.707 54.840 0.003 0.000 0.818 163 L CB 2.565 44.769 42.059 0.242 0.000 1.296 163 L HN 0.604 nan 8.230 nan 0.000 0.427 164 H N 2.887 121.975 119.070 0.031 0.000 2.717 164 H HA 0.565 5.122 4.556 0.001 0.000 0.366 164 H C -1.810 173.461 175.328 -0.095 0.000 1.132 164 H CA -0.557 55.482 56.048 -0.015 0.000 1.180 164 H CB 2.169 31.967 29.762 0.060 0.000 1.678 164 H HN 0.475 nan 8.280 nan 0.000 0.537 165 F N 1.934 121.497 119.950 -0.645 0.000 2.613 165 F HA 0.490 5.017 4.527 0.001 0.000 0.310 165 F C -1.649 173.873 175.800 -0.463 0.000 1.085 165 F CA -1.071 56.647 58.000 -0.470 0.000 0.945 165 F CB 1.568 40.269 39.000 -0.500 0.000 1.298 165 F HN 0.580 nan 8.300 nan 0.000 0.455 166 H N 1.458 120.488 119.070 -0.066 0.000 3.013 166 H HA 0.740 5.297 4.556 0.001 0.000 0.326 166 H C -1.010 174.362 175.328 0.073 0.000 0.973 166 H CA -0.186 55.835 56.048 -0.045 0.000 1.369 166 H CB 1.789 31.519 29.762 -0.053 0.000 1.598 166 H HN 1.020 nan 8.280 nan 0.000 0.518 167 A N 5.739 128.377 122.820 -0.304 0.000 2.671 167 A HA 0.342 4.663 4.320 0.001 0.000 0.265 167 A C -0.904 176.524 177.584 -0.260 0.000 1.148 167 A CA -0.171 51.752 52.037 -0.190 0.000 0.977 167 A CB 0.333 19.327 19.000 -0.010 0.000 1.242 167 A HN 0.506 nan 8.150 nan 0.000 0.591 168 L N -0.922 120.026 121.223 -0.459 0.000 2.371 168 L HA 0.636 4.976 4.340 0.001 0.000 0.262 168 L C -1.102 175.572 176.870 -0.326 0.000 1.006 168 L CA -0.936 53.723 54.840 -0.301 0.000 0.818 168 L CB 2.377 44.279 42.059 -0.261 0.000 1.354 168 L HN 0.198 nan 8.230 nan 0.000 0.415 169 C N 1.663 120.830 119.300 -0.221 0.000 2.607 169 C HA 0.322 4.783 4.460 0.001 0.000 0.350 169 C C -0.003 174.843 174.990 -0.240 0.000 1.101 169 C CA -0.307 58.582 59.018 -0.214 0.000 1.282 169 C CB 0.409 28.046 27.740 -0.172 0.000 1.825 169 C HN 1.008 nan 8.230 nan 0.000 0.460 170 E N 2.686 122.661 120.200 -0.374 0.000 2.228 170 E HA -0.183 4.167 4.350 0.001 0.000 0.213 170 E C 0.039 176.524 176.600 -0.192 0.000 1.282 170 E CA 0.832 56.888 56.400 -0.572 0.000 0.707 170 E CB -0.483 28.905 29.700 -0.521 0.000 1.150 170 E HN 0.728 nan 8.360 nan 0.000 0.362 171 E N -0.062 120.088 120.200 -0.084 0.000 2.355 171 E HA 0.457 4.808 4.350 0.001 0.000 0.261 171 E C 0.163 176.892 176.600 0.216 0.000 0.943 171 E CA -0.363 56.066 56.400 0.048 0.000 0.806 171 E CB 1.695 31.397 29.700 0.002 0.000 1.286 171 E HN 0.197 nan 8.360 nan 0.000 0.424 172 S N -0.775 115.015 115.700 0.150 0.000 2.707 172 S HA 0.509 4.980 4.470 0.001 0.000 0.276 172 S C 1.017 175.631 174.600 0.023 0.000 1.179 172 S CA -0.016 58.227 58.200 0.071 0.000 0.992 172 S CB 1.446 64.610 63.200 -0.060 0.000 1.030 172 S HN 0.539 nan 8.310 nan 0.000 0.554 173 A N 0.732 123.333 122.820 -0.366 0.000 1.902 173 A HA -0.083 4.238 4.320 0.001 0.000 0.217 173 A C 1.736 179.262 177.584 -0.097 0.000 1.181 173 A CA 1.747 53.649 52.037 -0.225 0.000 0.623 173 A CB -1.208 17.534 19.000 -0.430 0.000 0.818 173 A HN 0.867 nan 8.150 nan 0.000 0.443 174 D N 0.182 120.514 120.400 -0.115 0.000 2.123 174 D HA -0.104 4.537 4.640 0.001 0.000 0.196 174 D C 2.219 178.515 176.300 -0.007 0.000 0.992 174 D CA 1.569 55.537 54.000 -0.053 0.000 0.833 174 D CB -0.430 40.339 40.800 -0.053 0.000 0.954 174 D HN 0.437 nan 8.370 nan 0.000 0.455 175 A N 0.686 123.518 122.820 0.019 0.000 1.933 175 A HA -0.146 4.175 4.320 0.001 0.000 0.218 175 A C 2.150 179.773 177.584 0.066 0.000 1.175 175 A CA 1.026 53.102 52.037 0.066 0.000 0.628 175 A CB -0.656 18.383 19.000 0.066 0.000 0.814 175 A HN 0.257 nan 8.150 nan 0.000 0.444 176 L N 0.228 121.493 121.223 0.071 0.000 2.046 176 L HA -0.145 4.196 4.340 0.001 0.000 0.208 176 L C 2.231 179.066 176.870 -0.058 0.000 1.077 176 L CA 2.709 57.577 54.840 0.047 0.000 0.747 176 L CB -0.750 41.375 42.059 0.110 0.000 0.896 176 L HN 0.614 nan 8.230 nan 0.000 0.432 177 E N -0.426 119.750 120.200 -0.041 0.000 2.058 177 E HA -0.283 4.068 4.350 0.001 0.000 0.194 177 E C 2.091 178.629 176.600 -0.103 0.000 0.997 177 E CA 1.413 57.779 56.400 -0.058 0.000 0.801 177 E CB -0.241 29.440 29.700 -0.032 0.000 0.746 177 E HN 0.617 nan 8.360 nan 0.000 0.450 178 A N 0.506 123.273 122.820 -0.090 0.000 1.908 178 A HA -0.173 4.148 4.320 0.001 0.000 0.218 178 A C 2.429 179.729 177.584 -0.474 0.000 1.181 178 A CA 1.714 53.648 52.037 -0.172 0.000 0.627 178 A CB -0.750 18.281 19.000 0.052 0.000 0.818 178 A HN 0.252 nan 8.150 nan 0.000 0.445 179 V N -0.054 119.642 119.914 -0.364 0.000 2.358 179 V HA -0.235 3.886 4.120 0.001 0.000 0.246 179 V C 2.555 178.351 176.094 -0.497 0.000 1.047 179 V CA 1.850 63.842 62.300 -0.513 0.000 1.035 179 V CB -0.720 30.910 31.823 -0.322 0.000 0.658 179 V HN 0.569 nan 8.190 nan 0.000 0.452 180 L N -0.170 120.836 121.223 -0.361 0.000 2.046 180 L HA -0.237 4.104 4.340 0.001 0.000 0.208 180 L C 2.601 179.433 176.870 -0.064 0.000 1.077 180 L CA 1.954 56.674 54.840 -0.201 0.000 0.747 180 L CB -0.607 41.369 42.059 -0.139 0.000 0.896 180 L HN 0.331 nan 8.230 nan 0.000 0.432 181 K N 0.064 120.381 120.400 -0.140 0.000 2.020 181 K HA -0.200 4.120 4.320 0.001 0.000 0.212 181 K C 1.950 178.463 176.600 -0.145 0.000 1.050 181 K CA 1.883 58.101 56.287 -0.116 0.000 0.929 181 K CB -0.056 32.354 32.500 -0.150 0.000 0.714 181 K HN 0.094 nan 8.250 nan 0.000 0.443 182 V N 0.951 120.700 119.914 -0.276 0.000 2.427 182 V HA -0.197 3.924 4.120 0.001 0.000 0.248 182 V C 2.052 178.115 176.094 -0.051 0.000 1.051 182 V CA 1.644 63.809 62.300 -0.225 0.000 1.048 182 V CB -0.644 30.940 31.823 -0.400 0.000 0.666 182 V HN 0.336 nan 8.190 nan 0.000 0.456 183 F N 1.633 121.452 119.950 -0.218 0.000 2.095 183 F HA -0.188 4.340 4.527 0.001 0.000 0.298 183 F C 2.369 178.226 175.800 0.094 0.000 1.104 183 F CA 2.088 60.040 58.000 -0.080 0.000 1.232 183 F CB -0.340 38.435 39.000 -0.376 0.000 0.987 183 F HN 0.239 nan 8.300 nan 0.000 0.475 184 E N -0.173 119.976 120.200 -0.084 0.000 2.106 184 E HA -0.202 4.149 4.350 0.001 0.000 0.192 184 E C 2.120 178.643 176.600 -0.130 0.000 0.984 184 E CA 1.369 57.692 56.400 -0.129 0.000 0.806 184 E CB -0.289 29.456 29.700 0.074 0.000 0.750 184 E HN 0.585 nan 8.360 nan 0.000 0.458 185 E N 0.866 121.007 120.200 -0.099 0.000 2.077 185 E HA -0.175 4.176 4.350 0.001 0.000 0.193 185 E C 1.950 178.451 176.600 -0.165 0.000 0.989 185 E CA 1.052 57.384 56.400 -0.114 0.000 0.800 185 E CB 0.074 29.717 29.700 -0.094 0.000 0.746 185 E HN 0.119 nan 8.360 nan 0.000 0.452 186 K N -0.676 119.619 120.400 -0.175 0.000 2.166 186 K HA 0.029 4.350 4.320 0.001 0.000 0.201 186 K C 1.279 177.570 176.600 -0.516 0.000 1.052 186 K CA 0.696 56.788 56.287 -0.326 0.000 0.969 186 K CB 0.252 32.555 32.500 -0.328 0.000 0.761 186 K HN 0.050 nan 8.250 nan 0.000 0.459 187 F N -0.720 119.072 119.950 -0.263 0.000 2.706 187 F HA 0.221 4.748 4.527 0.001 0.000 0.308 187 F C 1.920 177.522 175.800 -0.330 0.000 1.095 187 F CA -0.315 57.560 58.000 -0.208 0.000 1.244 187 F CB 0.274 38.985 39.000 -0.481 0.000 1.063 187 F HN 0.009 nan 8.300 nan 0.000 0.582 188 G N 1.531 110.164 108.800 -0.279 0.000 2.507 188 G HA2 -0.354 3.607 3.960 0.001 0.000 0.221 188 G HA3 -0.354 3.607 3.960 0.001 0.000 0.221 188 G C 1.744 176.494 174.900 -0.250 0.000 1.119 188 G CA 1.463 46.412 45.100 -0.252 0.000 0.751 188 G HN 0.484 nan 8.290 nan 0.000 0.574 189 K N -1.128 118.983 120.400 -0.481 0.000 2.283 189 K HA -0.037 4.284 4.320 0.001 0.000 0.202 189 K C 1.737 178.041 176.600 -0.493 0.000 1.048 189 K CA 0.989 56.930 56.287 -0.577 0.000 0.948 189 K CB -0.132 31.859 32.500 -0.849 0.000 0.742 189 K HN 0.450 nan 8.250 nan 0.000 0.458 190 W N 0.981 122.285 121.300 0.006 0.000 3.211 190 W HA 0.294 4.955 4.660 0.001 0.000 0.292 190 W C 1.454 177.990 176.519 0.029 0.000 1.268 190 W CA -0.440 56.946 57.345 0.067 0.000 1.702 190 W CB -0.105 29.463 29.460 0.181 0.000 1.092 190 W HN 0.003 nan 8.180 nan 0.000 0.643 191 I N 0.243 120.852 120.570 0.066 0.000 2.286 191 I HA -0.092 4.079 4.170 0.001 0.000 0.245 191 I C 2.642 178.786 176.117 0.044 0.000 1.104 191 I CA 1.639 62.910 61.300 -0.048 0.000 1.397 191 I CB -1.024 36.642 38.000 -0.557 0.000 1.072 191 I HN -0.122 nan 8.210 nan 0.000 0.417 192 G N 0.996 109.874 108.800 0.131 0.000 2.470 192 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 192 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 192 G C 1.464 176.446 174.900 0.136 0.000 1.121 192 G CA 0.508 45.725 45.100 0.197 0.000 0.766 192 G HN 0.617 nan 8.290 nan 0.000 0.553 193 Q N -0.825 119.050 119.800 0.126 0.000 2.403 193 Q HA 0.236 4.577 4.340 0.001 0.000 0.203 193 Q C 0.712 176.768 176.000 0.094 0.000 0.932 193 Q CA 0.006 55.877 55.803 0.115 0.000 0.945 193 Q CB -0.011 28.808 28.738 0.136 0.000 1.045 193 Q HN 0.230 nan 8.270 nan 0.000 0.511 194 M N 0.816 120.467 119.600 0.085 0.000 2.359 194 M HA 0.267 4.748 4.480 0.001 0.000 0.322 194 M C 0.731 177.065 176.300 0.058 0.000 1.166 194 M CA -0.103 55.205 55.300 0.014 0.000 1.067 194 M CB 1.344 33.930 32.600 -0.025 0.000 1.523 194 M HN 0.025 nan 8.290 nan 0.000 0.467 195 K N 1.131 121.545 120.400 0.022 0.000 2.166 195 K HA 0.046 4.367 4.320 0.001 0.000 0.201 195 K C -0.041 176.756 176.600 0.327 0.000 1.052 195 K CA 0.914 57.306 56.287 0.175 0.000 0.969 195 K CB 0.467 33.116 32.500 0.249 0.000 0.761 195 K HN 0.717 nan 8.250 nan 0.000 0.459 196 W N 0.132 121.557 121.300 0.208 0.000 3.118 196 W HA 0.531 5.192 4.660 0.001 0.000 0.328 196 W C -1.193 175.482 176.519 0.260 0.000 1.239 196 W CA -1.235 56.276 57.345 0.277 0.000 1.176 196 W CB 0.524 30.249 29.460 0.441 0.000 1.433 196 W HN -0.292 nan 8.180 nan 0.000 0.562 197 V N 0.095 120.356 119.914 0.580 0.000 2.925 197 V HA 0.567 4.688 4.120 0.001 0.000 0.311 197 V C -1.294 174.980 176.094 0.300 0.000 1.104 197 V CA -0.809 61.732 62.300 0.401 0.000 0.954 197 V CB 1.823 33.881 31.823 0.393 0.000 1.022 197 V HN 0.687 nan 8.190 nan 0.000 0.427 198 N N 2.905 121.711 118.700 0.178 0.000 2.442 198 N HA 0.457 5.198 4.740 0.001 0.000 0.274 198 N C -0.550 174.673 175.510 -0.480 0.000 1.002 198 N CA -0.652 52.380 53.050 -0.029 0.000 0.910 198 N CB 1.478 40.094 38.487 0.214 0.000 1.244 198 N HN 0.681 nan 8.380 nan 0.000 0.492 199 F N 2.030 121.585 119.950 -0.660 0.000 2.731 199 F HA 0.293 4.821 4.527 0.001 0.000 0.304 199 F C 1.906 177.235 175.800 -0.786 0.000 1.133 199 F CA -0.018 57.282 58.000 -1.167 0.000 1.380 199 F CB -1.012 37.650 39.000 -0.563 0.000 1.079 199 F HN 0.680 nan 8.300 nan 0.000 0.550 200 G N 0.263 108.827 108.800 -0.393 0.000 2.601 200 G HA2 -0.014 3.947 3.960 0.001 0.000 0.252 200 G HA3 -0.014 3.947 3.960 0.001 0.000 0.252 200 G C 0.425 175.427 174.900 0.170 0.000 1.294 200 G CA -0.450 44.579 45.100 -0.120 0.000 0.912 200 G HN 0.720 nan 8.290 nan 0.000 0.574 201 G N -3.045 105.896 108.800 0.234 0.000 3.107 201 G HA2 0.733 4.694 3.960 0.001 0.000 0.232 201 G HA3 0.733 4.694 3.960 0.001 0.000 0.232 201 G C 1.322 176.009 174.900 -0.355 0.000 1.339 201 G CA 0.994 46.110 45.100 0.026 0.000 1.033 201 G HN 2.601 nan 8.290 nan 0.000 0.567 202 G N -1.776 106.885 108.800 -0.231 0.000 2.143 202 G HA2 -0.210 3.751 3.960 0.001 0.000 0.249 202 G HA3 -0.210 3.751 3.960 0.001 0.000 0.249 202 G C 0.070 174.738 174.900 -0.387 0.000 0.981 202 G CA 0.646 45.557 45.100 -0.315 0.000 0.665 202 G HN 0.943 nan 8.290 nan 0.000 0.528 203 H N -0.266 118.770 119.070 -0.056 0.000 2.604 203 H HA 0.502 5.059 4.556 0.001 0.000 0.306 203 H C 0.254 175.456 175.328 -0.209 0.000 1.075 203 H CA -0.682 55.335 56.048 -0.053 0.000 1.357 203 H CB 0.857 30.594 29.762 -0.041 0.000 1.426 203 H HN 0.187 nan 8.280 nan 0.000 0.470 204 H N 4.417 123.342 119.070 -0.241 0.000 2.638 204 H HA 0.129 4.686 4.556 0.001 0.000 0.232 204 H C 0.886 175.768 175.328 -0.744 0.000 1.756 204 H CA -0.364 55.428 56.048 -0.427 0.000 1.234 204 H CB -0.533 29.053 29.762 -0.293 0.000 1.616 204 H HN 0.739 nan 8.280 nan 0.000 0.510 205 I N -0.217 119.891 120.570 -0.769 0.000 2.315 205 I HA -0.209 3.961 4.170 0.001 0.000 0.248 205 I C 2.049 177.876 176.117 -0.484 0.000 1.117 205 I CA 1.688 62.373 61.300 -1.025 0.000 1.404 205 I CB 0.011 37.664 38.000 -0.579 0.000 1.071 205 I HN 0.370 nan 8.210 nan 0.000 0.419 206 T N -2.006 112.352 114.554 -0.325 0.000 3.107 206 T HA 0.054 4.405 4.350 0.001 0.000 0.249 206 T C 0.721 175.329 174.700 -0.154 0.000 1.096 206 T CA -0.310 61.699 62.100 -0.153 0.000 1.012 206 T CB -0.166 68.680 68.868 -0.037 0.000 0.977 206 T HN 0.117 nan 8.240 nan 0.000 0.527 207 K N 2.150 122.262 120.400 -0.481 0.000 2.326 207 K HA 0.191 4.511 4.320 0.001 0.000 0.275 207 K C 0.173 176.695 176.600 -0.130 0.000 1.018 207 K CA -0.588 55.383 56.287 -0.527 0.000 0.962 207 K CB 0.556 32.399 32.500 -1.095 0.000 0.953 207 K HN 0.147 nan 8.250 nan 0.000 0.475 208 K N 2.449 122.860 120.400 0.017 0.000 2.447 208 K HA 0.014 4.334 4.320 0.001 0.000 0.281 208 K C 0.560 177.169 176.600 0.014 0.000 1.031 208 K CA 1.292 57.602 56.287 0.038 0.000 1.019 208 K CB 0.095 32.636 32.500 0.069 0.000 0.918 208 K HN 0.816 nan 8.250 nan 0.000 0.476 209 G N 2.848 111.666 108.800 0.029 0.000 2.194 209 G HA2 -0.319 3.642 3.960 0.001 0.000 0.236 209 G HA3 -0.319 3.642 3.960 0.001 0.000 0.236 209 G C -0.276 174.642 174.900 0.030 0.000 0.987 209 G CA 0.211 45.323 45.100 0.020 0.000 0.635 209 G HN 0.711 nan 8.290 nan 0.000 0.520 210 Y N 2.091 122.345 120.300 -0.076 0.000 2.597 210 Y HA 0.425 4.975 4.550 0.001 0.000 0.336 210 Y C 0.490 176.368 175.900 -0.036 0.000 1.216 210 Y CA 0.296 58.356 58.100 -0.066 0.000 1.463 210 Y CB 0.847 39.254 38.460 -0.089 0.000 1.303 210 Y HN 0.090 nan 8.280 nan 0.000 0.576 211 D N 5.563 125.660 120.400 -0.504 0.000 2.558 211 D HA 0.069 4.710 4.640 0.001 0.000 0.221 211 D C 0.762 176.966 176.300 -0.160 0.000 1.143 211 D CA 0.163 53.994 54.000 -0.282 0.000 1.010 211 D CB 0.198 40.819 40.800 -0.298 0.000 1.068 211 D HN 0.545 nan 8.370 nan 0.000 0.511 212 V N 3.159 123.146 119.914 0.121 0.000 2.332 212 V HA -0.257 3.863 4.120 0.001 0.000 0.248 212 V C 2.099 178.250 176.094 0.095 0.000 1.055 212 V CA 1.747 64.175 62.300 0.213 0.000 1.038 212 V CB -0.368 31.554 31.823 0.165 0.000 0.651 212 V HN 0.481 nan 8.190 nan 0.000 0.450 213 E N 0.129 120.352 120.200 0.039 0.000 2.110 213 E HA -0.258 4.093 4.350 0.001 0.000 0.193 213 E C 2.205 178.815 176.600 0.017 0.000 0.988 213 E CA 1.332 57.746 56.400 0.025 0.000 0.804 213 E CB -0.203 29.504 29.700 0.011 0.000 0.745 213 E HN 0.550 nan 8.360 nan 0.000 0.458 214 K N 0.887 121.279 120.400 -0.014 0.000 2.026 214 K HA -0.192 4.129 4.320 0.001 0.000 0.208 214 K C 2.148 178.757 176.600 0.014 0.000 1.048 214 K CA 0.966 57.240 56.287 -0.023 0.000 0.929 214 K CB -0.158 32.294 32.500 -0.081 0.000 0.713 214 K HN 0.045 nan 8.250 nan 0.000 0.439 215 L N 1.401 122.649 121.223 0.041 0.000 2.012 215 L HA -0.159 4.182 4.340 0.001 0.000 0.210 215 L C 1.915 178.838 176.870 0.087 0.000 1.073 215 L CA 1.686 56.587 54.840 0.103 0.000 0.748 215 L CB -0.371 41.834 42.059 0.242 0.000 0.891 215 L HN 0.291 nan 8.230 nan 0.000 0.431 216 I N -0.383 120.231 120.570 0.073 0.000 2.163 216 I HA -0.334 3.836 4.170 0.001 0.000 0.243 216 I C 2.616 178.772 176.117 0.066 0.000 1.085 216 I CA 1.369 62.703 61.300 0.056 0.000 1.347 216 I CB -0.696 37.329 38.000 0.042 0.000 1.044 216 I HN 0.405 nan 8.210 nan 0.000 0.408 217 A N 0.854 123.710 122.820 0.060 0.000 1.877 217 A HA -0.167 4.153 4.320 0.001 0.000 0.216 217 A C 2.296 179.941 177.584 0.101 0.000 1.186 217 A CA 1.442 53.517 52.037 0.064 0.000 0.620 217 A CB -0.934 18.092 19.000 0.043 0.000 0.822 217 A HN 0.375 nan 8.150 nan 0.000 0.443 218 L N -0.829 120.458 121.223 0.107 0.000 2.042 218 L HA -0.284 4.057 4.340 0.001 0.000 0.210 218 L C 2.762 179.792 176.870 0.266 0.000 1.076 218 L CA 1.518 56.451 54.840 0.156 0.000 0.749 218 L CB -0.703 41.422 42.059 0.110 0.000 0.893 218 L HN 0.510 nan 8.230 nan 0.000 0.432 219 C N -0.654 118.790 119.300 0.239 0.000 2.476 219 C HA -0.146 4.315 4.460 0.001 0.000 0.278 219 C C 2.892 178.013 174.990 0.219 0.000 1.274 219 C CA 0.636 59.809 59.018 0.258 0.000 1.713 219 C CB -0.569 27.231 27.740 0.100 0.000 2.039 219 C HN 0.454 nan 8.230 nan 0.000 0.484 220 K N 1.080 121.568 120.400 0.146 0.000 2.009 220 K HA -0.191 4.130 4.320 0.001 0.000 0.210 220 K C 1.762 178.457 176.600 0.158 0.000 1.049 220 K CA 1.950 58.310 56.287 0.120 0.000 0.929 220 K CB -0.247 32.298 32.500 0.075 0.000 0.714 220 K HN 0.402 nan 8.250 nan 0.000 0.440 221 N N 0.301 119.102 118.700 0.168 0.000 2.120 221 N HA -0.180 4.561 4.740 0.001 0.000 0.188 221 N C 1.628 177.263 175.510 0.209 0.000 1.024 221 N CA 1.208 54.346 53.050 0.147 0.000 0.852 221 N CB -0.481 38.080 38.487 0.124 0.000 1.003 221 N HN 0.212 nan 8.380 nan 0.000 0.424 222 F N 1.245 121.318 119.950 0.205 0.000 2.102 222 F HA -0.164 4.364 4.527 0.001 0.000 0.298 222 F C 2.713 178.709 175.800 0.327 0.000 1.105 222 F CA 1.330 59.532 58.000 0.337 0.000 1.239 222 F CB -0.325 38.976 39.000 0.501 0.000 0.991 222 F HN -0.029 nan 8.300 nan 0.000 0.474 223 S N -0.042 115.959 115.700 0.502 0.000 2.356 223 S HA -0.216 4.255 4.470 0.001 0.000 0.223 223 S C 1.804 176.507 174.600 0.173 0.000 1.032 223 S CA 1.925 60.326 58.200 0.335 0.000 1.005 223 S CB -0.578 62.749 63.200 0.212 0.000 0.867 223 S HN 0.452 nan 8.310 nan 0.000 0.449 224 D N 0.977 121.443 120.400 0.111 0.000 2.117 224 D HA -0.066 4.575 4.640 0.001 0.000 0.198 224 D C 1.983 178.259 176.300 -0.039 0.000 0.982 224 D CA 0.896 54.918 54.000 0.036 0.000 0.828 224 D CB -0.356 40.457 40.800 0.022 0.000 0.967 224 D HN 0.450 nan 8.370 nan 0.000 0.464 225 K N -0.293 120.039 120.400 -0.113 0.000 2.057 225 K HA -0.153 4.167 4.320 0.001 0.000 0.207 225 K C 1.144 177.450 176.600 -0.489 0.000 1.049 225 K CA 1.121 57.197 56.287 -0.352 0.000 0.931 225 K CB 0.007 32.189 32.500 -0.529 0.000 0.714 225 K HN 0.221 nan 8.250 nan 0.000 0.440 226 Y N -0.792 119.420 120.300 -0.147 0.000 2.467 226 Y HA 0.255 4.806 4.550 0.001 0.000 0.250 226 Y C 0.849 176.746 175.900 -0.005 0.000 1.155 226 Y CA 0.172 58.208 58.100 -0.107 0.000 1.249 226 Y CB 1.107 39.456 38.460 -0.184 0.000 1.146 226 Y HN 0.250 nan 8.280 nan 0.000 0.524 227 G N 1.615 110.492 108.800 0.128 0.000 2.314 227 G HA2 -0.170 3.790 3.960 0.001 0.000 0.292 227 G HA3 -0.170 3.790 3.960 0.001 0.000 0.292 227 G C -0.218 174.790 174.900 0.179 0.000 1.059 227 G CA 0.389 45.565 45.100 0.127 0.000 0.982 227 G HN 0.447 nan 8.290 nan 0.000 0.505 228 V N -3.288 116.768 119.914 0.238 0.000 2.960 228 V HA 0.885 5.006 4.120 0.001 0.000 0.315 228 V C 0.118 176.360 176.094 0.248 0.000 1.087 228 V CA -1.457 61.008 62.300 0.275 0.000 0.982 228 V CB 2.096 34.133 31.823 0.356 0.000 1.039 228 V HN 0.484 nan 8.190 nan 0.000 0.437 229 Q N 1.916 121.870 119.800 0.258 0.000 2.296 229 Q HA 0.448 4.789 4.340 0.001 0.000 0.263 229 Q C -0.738 175.331 176.000 0.114 0.000 1.026 229 Q CA 0.141 56.032 55.803 0.147 0.000 0.912 229 Q CB 0.830 29.668 28.738 0.167 0.000 1.198 229 Q HN 0.778 nan 8.270 nan 0.000 0.407 230 V N 6.074 125.930 119.914 -0.097 0.000 2.607 230 V HA 0.288 4.408 4.120 0.001 0.000 0.289 230 V C -0.558 175.258 176.094 -0.464 0.000 1.053 230 V CA -0.312 61.803 62.300 -0.307 0.000 0.996 230 V CB 0.379 31.922 31.823 -0.465 0.000 0.995 230 V HN 0.708 nan 8.190 nan 0.000 0.476 231 Y N 4.097 124.186 120.300 -0.350 0.000 2.446 231 Y HA 0.710 5.260 4.550 0.001 0.000 0.345 231 Y C -0.061 175.613 175.900 -0.377 0.000 0.984 231 Y CA -0.750 57.167 58.100 -0.305 0.000 1.058 231 Y CB 1.824 40.131 38.460 -0.254 0.000 1.220 231 Y HN 0.390 nan 8.280 nan 0.000 0.455 232 L N 2.549 123.694 121.223 -0.131 0.000 2.354 232 L HA 0.549 4.890 4.340 0.001 0.000 0.269 232 L C -0.654 176.202 176.870 -0.023 0.000 1.005 232 L CA -0.798 53.991 54.840 -0.086 0.000 0.819 232 L CB 2.128 44.118 42.059 -0.116 0.000 1.311 232 L HN 0.702 nan 8.230 nan 0.000 0.423 233 E N 1.381 121.605 120.200 0.039 0.000 3.935 233 E HA 0.288 4.638 4.350 0.001 0.000 0.226 233 E C -2.826 173.800 176.600 0.044 0.000 1.220 233 E CA -1.615 54.791 56.400 0.010 0.000 1.226 233 E CB 0.665 30.351 29.700 -0.023 0.000 1.237 233 E HN 0.237 nan 8.360 nan 0.000 0.417 234 P HA 0.072 nan 4.420 nan 0.000 0.271 234 P C 0.181 177.489 177.300 0.013 0.000 1.216 234 P CA 0.241 63.361 63.100 0.035 0.000 0.776 234 P CB 2.099 33.804 31.700 0.007 0.000 0.881 235 G N 1.955 110.774 108.800 0.032 0.000 2.797 235 G HA2 -0.063 3.897 3.960 0.001 0.000 0.211 235 G HA3 -0.063 3.897 3.960 0.001 0.000 0.211 235 G C 1.268 176.186 174.900 0.030 0.000 1.236 235 G CA 0.216 45.345 45.100 0.048 0.000 0.833 235 G HN 0.541 nan 8.290 nan 0.000 0.624 236 E N 0.615 120.876 120.200 0.101 0.000 2.097 236 E HA -0.146 4.205 4.350 0.001 0.000 0.196 236 E C 2.596 179.134 176.600 -0.102 0.000 1.000 236 E CA 1.487 57.889 56.400 0.003 0.000 0.804 236 E CB -0.242 29.447 29.700 -0.018 0.000 0.740 236 E HN 0.309 nan 8.360 nan 0.000 0.454 237 A N 0.305 123.071 122.820 -0.091 0.000 1.972 237 A HA -0.143 4.178 4.320 0.001 0.000 0.219 237 A C 2.380 179.896 177.584 -0.113 0.000 1.169 237 A CA 1.465 53.448 52.037 -0.090 0.000 0.635 237 A CB -0.557 18.362 19.000 -0.134 0.000 0.810 237 A HN 0.239 nan 8.150 nan 0.000 0.446 238 V N -0.481 119.316 119.914 -0.195 0.000 2.343 238 V HA -0.158 3.963 4.120 0.001 0.000 0.247 238 V C 2.516 178.279 176.094 -0.552 0.000 1.051 238 V CA 1.997 64.082 62.300 -0.357 0.000 1.036 238 V CB -1.082 30.504 31.823 -0.396 0.000 0.654 238 V HN 0.618 nan 8.190 nan 0.000 0.451 239 G N -2.136 106.342 108.800 -0.536 0.000 3.088 239 G HA2 -0.073 3.888 3.960 0.001 0.000 0.217 239 G HA3 -0.073 3.888 3.960 0.001 0.000 0.217 239 G C 0.497 175.428 174.900 0.052 0.000 1.159 239 G CA -0.498 44.361 45.100 -0.402 0.000 0.760 239 G HN 0.535 nan 8.290 nan 0.000 0.550 240 W N 2.098 123.295 121.300 -0.171 0.000 2.505 240 W HA 0.102 4.763 4.660 0.001 0.000 0.332 240 W C 0.144 176.677 176.519 0.024 0.000 1.434 240 W CA 0.398 57.702 57.345 -0.067 0.000 1.320 240 W CB -0.003 29.400 29.460 -0.094 0.000 1.363 240 W HN 0.422 nan 8.180 nan 0.000 0.565 241 Q N 2.418 121.948 119.800 -0.449 0.000 2.475 241 Q HA -0.269 4.072 4.340 0.001 0.000 0.280 241 Q C 1.270 177.177 176.000 -0.155 0.000 1.234 241 Q CA 1.262 56.819 55.803 -0.412 0.000 0.873 241 Q CB -1.739 26.644 28.738 -0.592 0.000 1.256 241 Q HN 0.722 nan 8.270 nan 0.000 0.475 242 T N -4.270 110.247 114.554 -0.062 0.000 3.060 242 T HA 0.471 4.822 4.350 0.001 0.000 0.249 242 T C 0.747 175.430 174.700 -0.029 0.000 1.079 242 T CA 0.492 62.566 62.100 -0.044 0.000 1.013 242 T CB 1.149 69.990 68.868 -0.045 0.000 0.975 242 T HN 0.543 nan 8.240 nan 0.000 0.518 243 G N 0.298 109.095 108.800 -0.006 0.000 2.349 243 G HA2 0.497 4.457 3.960 0.001 0.000 0.294 243 G HA3 0.497 4.457 3.960 0.001 0.000 0.294 243 G C -2.294 172.639 174.900 0.056 0.000 1.380 243 G CA -0.949 44.159 45.100 0.013 0.000 0.811 243 G HN 0.183 nan 8.290 nan 0.000 0.519 244 N N -1.121 117.630 118.700 0.084 0.000 2.405 244 N HA 0.630 5.371 4.740 0.001 0.000 0.285 244 N C -1.558 174.042 175.510 0.149 0.000 1.262 244 N CA -0.605 52.509 53.050 0.107 0.000 0.773 244 N CB 2.464 40.985 38.487 0.056 0.000 1.490 244 N HN 0.602 nan 8.380 nan 0.000 0.486 245 L N 0.989 122.309 121.223 0.162 0.000 2.296 245 L HA 0.556 4.896 4.340 0.001 0.000 0.286 245 L C -1.207 175.722 176.870 0.099 0.000 1.023 245 L CA -0.559 54.316 54.840 0.058 0.000 0.812 245 L CB 1.132 43.171 42.059 -0.033 0.000 1.223 245 L HN 0.265 nan 8.230 nan 0.000 0.421 246 V N 5.302 125.225 119.914 0.016 0.000 2.435 246 V HA 0.918 5.039 4.120 0.001 0.000 0.290 246 V C 0.263 176.366 176.094 0.014 0.000 1.030 246 V CA -0.059 62.251 62.300 0.016 0.000 0.881 246 V CB 0.902 32.722 31.823 -0.005 0.000 0.983 246 V HN 1.030 nan 8.190 nan 0.000 0.445 247 A N 3.603 126.446 122.820 0.038 0.000 2.485 247 A HA 0.924 5.245 4.320 0.001 0.000 0.292 247 A C -0.450 177.132 177.584 -0.003 0.000 1.147 247 A CA -0.600 51.465 52.037 0.046 0.000 0.750 247 A CB 2.054 21.152 19.000 0.162 0.000 1.331 247 A HN 0.638 nan 8.150 nan 0.000 0.419 248 S N -0.358 115.337 115.700 -0.009 0.000 2.503 248 S HA 0.499 4.970 4.470 0.001 0.000 0.301 248 S C -0.383 174.191 174.600 -0.043 0.000 1.087 248 S CA -0.486 57.690 58.200 -0.039 0.000 1.042 248 S CB 1.574 64.753 63.200 -0.034 0.000 1.043 248 S HN 0.678 nan 8.310 nan 0.000 0.489 249 V N 4.099 123.964 119.914 -0.082 0.000 2.458 249 V HA 0.030 4.151 4.120 0.001 0.000 0.287 249 V C 0.988 177.044 176.094 -0.064 0.000 1.009 249 V CA 0.352 62.598 62.300 -0.090 0.000 1.091 249 V CB 0.313 32.043 31.823 -0.155 0.000 0.960 249 V HN 0.839 nan 8.190 nan 0.000 0.476 250 V N 2.905 122.793 119.914 -0.042 0.000 2.795 250 V HA 0.195 4.315 4.120 0.001 0.000 0.243 250 V C 0.476 176.552 176.094 -0.031 0.000 1.069 250 V CA 1.003 63.284 62.300 -0.032 0.000 1.089 250 V CB 0.222 32.033 31.823 -0.020 0.000 0.756 250 V HN 0.941 nan 8.190 nan 0.000 0.471 251 D N -1.613 118.770 120.400 -0.028 0.000 2.602 251 D HA 0.521 5.162 4.640 0.001 0.000 0.236 251 D C -1.424 174.866 176.300 -0.016 0.000 1.209 251 D CA -0.360 53.627 54.000 -0.021 0.000 0.831 251 D CB 2.207 43.001 40.800 -0.011 0.000 1.478 251 D HN 0.031 nan 8.370 nan 0.000 0.438 252 I N 3.169 123.736 120.570 -0.005 0.000 2.439 252 I HA 0.415 4.586 4.170 0.001 0.000 0.285 252 I C -0.084 176.054 176.117 0.035 0.000 1.021 252 I CA -0.760 60.554 61.300 0.024 0.000 1.091 252 I CB 1.314 39.331 38.000 0.028 0.000 1.242 252 I HN 0.343 nan 8.210 nan 0.000 0.439 253 I N 1.909 122.507 120.570 0.047 0.000 3.133 253 I HA 0.660 4.830 4.170 0.001 0.000 0.311 253 I C -0.639 175.505 176.117 0.044 0.000 1.072 253 I CA -0.693 60.629 61.300 0.037 0.000 1.015 253 I CB 2.134 40.150 38.000 0.027 0.000 1.233 253 I HN 0.497 nan 8.210 nan 0.000 0.473 254 E N 2.182 122.400 120.200 0.029 0.000 2.165 254 E HA 0.330 4.681 4.350 0.001 0.000 0.266 254 E C -1.482 175.130 176.600 0.020 0.000 0.889 254 E CA -0.588 55.827 56.400 0.023 0.000 0.756 254 E CB 1.180 30.889 29.700 0.014 0.000 1.131 254 E HN 0.640 nan 8.360 nan 0.000 0.411 255 N N 4.335 123.048 118.700 0.022 0.000 2.690 255 N HA 0.117 4.858 4.740 0.001 0.000 0.255 255 N C -0.455 175.064 175.510 0.015 0.000 1.195 255 N CA 0.004 53.064 53.050 0.018 0.000 0.790 255 N CB 0.276 38.776 38.487 0.021 0.000 1.216 255 N HN 0.847 nan 8.380 nan 0.000 0.528 256 E N 0.060 120.265 120.200 0.010 0.000 4.665 256 E HA -0.331 4.020 4.350 0.001 0.000 0.181 256 E C -0.461 176.140 176.600 0.001 0.000 1.307 256 E CA 1.659 58.063 56.400 0.005 0.000 2.299 256 E CB -0.736 28.968 29.700 0.007 0.000 1.862 256 E HN 0.562 nan 8.360 nan 0.000 0.373 257 K N 1.500 121.903 120.400 0.005 0.000 2.090 257 K HA 0.275 4.596 4.320 0.001 0.000 0.249 257 K C -0.016 176.582 176.600 -0.003 0.000 0.995 257 K CA -0.552 55.733 56.287 -0.004 0.000 0.914 257 K CB 0.691 33.200 32.500 0.015 0.000 1.057 257 K HN 0.034 nan 8.250 nan 0.000 0.462 258 Q N 1.497 121.268 119.800 -0.048 0.000 2.288 258 Q HA 0.292 4.633 4.340 0.001 0.000 0.254 258 Q C -0.387 175.684 176.000 0.117 0.000 0.932 258 Q CA 0.233 56.024 55.803 -0.020 0.000 0.902 258 Q CB 0.798 29.391 28.738 -0.241 0.000 1.203 258 Q HN 0.442 nan 8.270 nan 0.000 0.415 259 I N 1.283 121.952 120.570 0.165 0.000 2.478 259 I HA 0.397 4.567 4.170 0.001 0.000 0.287 259 I C -0.507 175.705 176.117 0.159 0.000 1.042 259 I CA -0.893 60.511 61.300 0.173 0.000 1.067 259 I CB 2.015 40.077 38.000 0.102 0.000 1.233 259 I HN 0.502 nan 8.210 nan 0.000 0.431 260 A N 7.835 130.747 122.820 0.152 0.000 2.289 260 A HA 0.733 5.053 4.320 0.001 0.000 0.298 260 A C -0.359 177.251 177.584 0.043 0.000 1.208 260 A CA -0.363 51.697 52.037 0.039 0.000 0.845 260 A CB 0.235 19.186 19.000 -0.082 0.000 1.125 260 A HN 0.685 nan 8.150 nan 0.000 0.517 261 I N 3.924 124.507 120.570 0.020 0.000 2.315 261 I HA 0.275 4.446 4.170 0.001 0.000 0.291 261 I C -0.263 175.859 176.117 0.008 0.000 1.006 261 I CA -0.061 61.251 61.300 0.020 0.000 1.265 261 I CB 0.866 38.873 38.000 0.011 0.000 1.387 261 I HN 0.523 nan 8.210 nan 0.000 0.475 262 L N 4.980 126.218 121.223 0.025 0.000 2.331 262 L HA 0.364 4.705 4.340 0.001 0.000 0.268 262 L C 0.356 177.242 176.870 0.027 0.000 1.015 262 L CA -0.796 54.063 54.840 0.032 0.000 0.807 262 L CB 1.195 43.307 42.059 0.089 0.000 1.293 262 L HN 0.593 nan 8.230 nan 0.000 0.451 263 D N -1.259 119.160 120.400 0.031 0.000 2.690 263 D HA 0.089 4.730 4.640 0.001 0.000 0.236 263 D C 0.076 176.420 176.300 0.072 0.000 1.218 263 D CA -0.056 53.964 54.000 0.033 0.000 0.829 263 D CB 0.359 41.170 40.800 0.018 0.000 1.009 263 D HN 0.366 nan 8.370 nan 0.000 0.482 264 T N -1.279 113.321 114.554 0.077 0.000 2.841 264 T HA 0.583 4.934 4.350 0.001 0.000 0.296 264 T C -1.787 172.892 174.700 -0.036 0.000 1.166 264 T CA -0.712 61.472 62.100 0.140 0.000 1.007 264 T CB 1.756 70.707 68.868 0.137 0.000 1.253 264 T HN 0.025 nan 8.240 nan 0.000 0.511 265 S N 0.965 116.549 115.700 -0.193 0.000 2.571 265 S HA 0.501 4.972 4.470 0.001 0.000 0.284 265 S C 1.101 175.562 174.600 -0.233 0.000 1.128 265 S CA -0.345 57.696 58.200 -0.265 0.000 0.970 265 S CB 1.601 64.567 63.200 -0.390 0.000 1.039 265 S HN 0.654 nan 8.310 nan 0.000 0.485 266 S N 3.100 118.698 115.700 -0.171 0.000 2.359 266 S HA -0.166 4.304 4.470 0.001 0.000 0.222 266 S C 1.670 176.215 174.600 -0.093 0.000 1.038 266 S CA 2.081 60.193 58.200 -0.147 0.000 1.051 266 S CB -0.634 62.503 63.200 -0.105 0.000 0.944 266 S HN 0.923 nan 8.310 nan 0.000 0.433 267 E N 0.919 121.079 120.200 -0.065 0.000 2.085 267 E HA -0.111 4.240 4.350 0.001 0.000 0.194 267 E C 1.851 178.441 176.600 -0.018 0.000 0.994 267 E CA 1.331 57.715 56.400 -0.026 0.000 0.801 267 E CB -0.273 29.444 29.700 0.029 0.000 0.743 267 E HN 0.461 nan 8.360 nan 0.000 0.453 268 A N -1.174 121.602 122.820 -0.074 0.000 1.997 268 A HA 0.032 4.353 4.320 0.001 0.000 0.212 268 A C 1.484 179.139 177.584 0.118 0.000 1.178 268 A CA 1.129 53.143 52.037 -0.038 0.000 0.698 268 A CB -0.309 18.576 19.000 -0.193 0.000 0.842 268 A HN 0.430 nan 8.150 nan 0.000 0.458 269 H N -2.558 116.539 119.070 0.045 0.000 2.855 269 H HA 0.394 4.950 4.556 0.001 0.000 0.259 269 H C 0.116 175.513 175.328 0.115 0.000 0.972 269 H CA -0.003 56.102 56.048 0.094 0.000 1.213 269 H CB 0.565 30.317 29.762 -0.017 0.000 1.451 269 H HN 0.303 nan 8.280 nan 0.000 0.484 270 M N 1.663 121.331 119.600 0.113 0.000 3.200 270 M HA 0.177 4.658 4.480 0.001 0.000 0.335 270 M C -2.195 174.131 176.300 0.043 0.000 1.446 270 M CA -1.390 53.950 55.300 0.067 0.000 0.691 270 M CB 1.695 34.249 32.600 -0.078 0.000 1.409 270 M HN -0.018 nan 8.290 nan 0.000 0.488 271 P HA -0.157 nan 4.420 nan 0.000 0.218 271 P C 0.510 177.853 177.300 0.072 0.000 1.148 271 P CA 1.434 64.564 63.100 0.050 0.000 0.822 271 P CB 0.163 31.897 31.700 0.056 0.000 0.784 272 D N -0.642 119.842 120.400 0.139 0.000 2.264 272 D HA -0.105 4.536 4.640 0.001 0.000 0.208 272 D C 2.003 178.435 176.300 0.220 0.000 0.966 272 D CA 1.699 55.822 54.000 0.206 0.000 0.864 272 D CB -0.845 40.126 40.800 0.285 0.000 0.933 272 D HN 0.297 nan 8.370 nan 0.000 0.499 273 T N -1.231 113.332 114.554 0.014 0.000 2.833 273 T HA -0.124 4.227 4.350 0.001 0.000 0.269 273 T C 1.882 176.531 174.700 -0.085 0.000 1.054 273 T CA 0.621 62.556 62.100 -0.276 0.000 1.135 273 T CB -0.056 68.543 68.868 -0.449 0.000 0.869 273 T HN 0.033 nan 8.240 nan 0.000 0.466 274 I N 0.585 121.138 120.570 -0.028 0.000 2.585 274 I HA 0.228 4.399 4.170 0.001 0.000 0.254 274 I C 2.453 178.583 176.117 0.021 0.000 1.129 274 I CA 0.303 61.598 61.300 -0.009 0.000 1.455 274 I CB -0.830 37.160 38.000 -0.017 0.000 1.111 274 I HN 0.298 nan 8.210 nan 0.000 0.433 275 I N 0.173 120.769 120.570 0.043 0.000 2.286 275 I HA -0.263 3.908 4.170 0.001 0.000 0.245 275 I C 2.636 178.789 176.117 0.060 0.000 1.104 275 I CA 1.303 62.629 61.300 0.044 0.000 1.397 275 I CB -0.123 37.907 38.000 0.049 0.000 1.072 275 I HN 0.116 nan 8.210 nan 0.000 0.417 276 M N 0.260 119.922 119.600 0.103 0.000 2.064 276 M HA -0.007 4.474 4.480 0.001 0.000 0.260 276 M C -1.162 175.190 176.300 0.086 0.000 1.073 276 M CA 1.186 56.552 55.300 0.110 0.000 1.124 276 M CB -1.126 31.589 32.600 0.192 0.000 1.326 276 M HN 0.109 nan 8.290 nan 0.000 0.410 277 P HA 0.291 nan 4.420 nan 0.000 0.283 277 P C -1.631 175.795 177.300 0.209 0.000 1.271 277 P CA -0.230 62.939 63.100 0.115 0.000 0.841 277 P CB 0.888 32.619 31.700 0.052 0.000 1.122 278 Y N -2.812 117.514 120.300 0.042 0.000 2.655 278 Y HA 0.684 5.235 4.550 0.001 0.000 0.336 278 Y C -1.383 174.558 175.900 0.068 0.000 1.154 278 Y CA -0.903 57.230 58.100 0.056 0.000 1.055 278 Y CB 0.873 39.375 38.460 0.071 0.000 1.295 278 Y HN 0.218 nan 8.280 nan 0.000 0.465 279 T N 2.187 116.740 114.554 -0.002 0.000 2.779 279 T HA 0.364 4.714 4.350 0.001 0.000 0.280 279 T C -0.541 174.180 174.700 0.035 0.000 0.987 279 T CA -0.663 61.392 62.100 -0.075 0.000 0.966 279 T CB 1.218 70.091 68.868 0.007 0.000 0.933 279 T HN 0.752 nan 8.240 nan 0.000 0.442 280 S N 3.029 118.722 115.700 -0.012 0.000 2.562 280 S HA 0.108 4.579 4.470 0.001 0.000 0.281 280 S C 0.402 175.225 174.600 0.373 0.000 1.333 280 S CA -0.509 57.832 58.200 0.235 0.000 1.052 280 S CB 0.229 63.581 63.200 0.253 0.000 0.884 280 S HN 0.514 nan 8.310 nan 0.000 0.506 281 E N 2.020 122.403 120.200 0.306 0.000 2.374 281 E HA 0.286 4.636 4.350 0.001 0.000 0.260 281 E C -0.642 176.061 176.600 0.171 0.000 1.101 281 E CA -0.261 56.285 56.400 0.243 0.000 0.907 281 E CB 1.143 30.931 29.700 0.146 0.000 1.014 281 E HN 0.388 nan 8.360 nan 0.000 0.427 282 V N 2.720 122.667 119.914 0.054 0.000 2.588 282 V HA 0.129 4.249 4.120 0.001 0.000 0.304 282 V C -0.210 175.795 176.094 -0.148 0.000 1.042 282 V CA -0.913 61.271 62.300 -0.194 0.000 0.877 282 V CB 1.902 33.418 31.823 -0.511 0.000 0.996 282 V HN 0.504 nan 8.190 nan 0.000 0.425 283 L N 6.041 127.181 121.223 -0.138 0.000 2.499 283 L HA 0.304 4.645 4.340 0.001 0.000 0.273 283 L C 1.017 177.847 176.870 -0.067 0.000 1.195 283 L CA 0.854 55.648 54.840 -0.078 0.000 0.882 283 L CB -0.265 41.756 42.059 -0.063 0.000 1.133 283 L HN 0.820 nan 8.230 nan 0.000 0.483 284 N N 2.154 120.826 118.700 -0.046 0.000 2.741 284 N HA -0.213 4.528 4.740 0.001 0.000 0.250 284 N C -0.491 174.949 175.510 -0.116 0.000 1.115 284 N CA 1.121 54.155 53.050 -0.027 0.000 0.724 284 N CB -1.433 37.080 38.487 0.042 0.000 1.090 284 N HN 0.805 nan 8.380 nan 0.000 0.558 285 A N -0.186 122.501 122.820 -0.222 0.000 2.527 285 A HA 0.853 5.174 4.320 0.001 0.000 0.293 285 A C -0.424 177.067 177.584 -0.156 0.000 1.117 285 A CA -0.764 51.027 52.037 -0.410 0.000 0.723 285 A CB 1.753 20.202 19.000 -0.918 0.000 1.313 285 A HN 0.154 nan 8.150 nan 0.000 0.411 286 R N 0.240 120.667 120.500 -0.122 0.000 2.670 286 R HA 0.552 4.892 4.340 0.001 0.000 0.289 286 R C -1.226 175.048 176.300 -0.042 0.000 0.965 286 R CA -0.664 55.412 56.100 -0.040 0.000 0.899 286 R CB 1.898 32.172 30.300 -0.043 0.000 1.173 286 R HN 0.638 nan 8.270 nan 0.000 0.456 287 I N 3.526 124.049 120.570 -0.079 0.000 2.533 287 I HA -0.061 4.110 4.170 0.001 0.000 0.284 287 I C 1.246 177.255 176.117 -0.179 0.000 1.109 287 I CA 0.256 61.394 61.300 -0.270 0.000 1.412 287 I CB 0.593 38.455 38.000 -0.231 0.000 1.396 287 I HN 0.542 nan 8.210 nan 0.000 0.543 288 L N 6.039 127.142 121.223 -0.199 0.000 2.286 288 L HA 0.415 4.756 4.340 0.001 0.000 0.203 288 L C 0.796 177.608 176.870 -0.097 0.000 1.068 288 L CA 0.278 55.055 54.840 -0.104 0.000 0.811 288 L CB 0.009 42.032 42.059 -0.059 0.000 0.989 288 L HN 0.732 nan 8.230 nan 0.000 0.467 289 A N -0.636 122.105 122.820 -0.131 0.000 2.594 289 A HA 0.574 4.895 4.320 0.001 0.000 0.295 289 A C -0.338 177.177 177.584 -0.116 0.000 1.071 289 A CA -0.314 51.669 52.037 -0.091 0.000 0.685 289 A CB 1.016 19.988 19.000 -0.047 0.000 1.285 289 A HN 0.093 nan 8.150 nan 0.000 0.405 290 T N -1.472 113.040 114.554 -0.069 0.000 2.847 290 T HA 0.367 4.718 4.350 0.001 0.000 0.279 290 T C 1.232 175.918 174.700 -0.024 0.000 0.984 290 T CA 0.209 62.277 62.100 -0.054 0.000 0.988 290 T CB 0.794 69.648 68.868 -0.024 0.000 1.040 290 T HN 0.959 nan 8.240 nan 0.000 0.528 291 R N 0.275 120.771 120.500 -0.007 0.000 2.152 291 R HA -0.087 4.253 4.340 0.001 0.000 0.232 291 R C 1.081 177.386 176.300 0.009 0.000 1.117 291 R CA 1.567 57.675 56.100 0.012 0.000 0.981 291 R CB -0.404 29.905 30.300 0.014 0.000 0.870 291 R HN 0.702 nan 8.270 nan 0.000 0.451 292 E N 0.792 120.995 120.200 0.004 0.000 2.463 292 E HA 0.026 4.376 4.350 0.001 0.000 0.191 292 E C -0.512 176.090 176.600 0.004 0.000 1.083 292 E CA 0.453 56.857 56.400 0.007 0.000 0.872 292 E CB -0.167 29.538 29.700 0.009 0.000 0.966 292 E HN 0.527 nan 8.360 nan 0.000 0.491 293 N N 0.577 119.277 118.700 0.001 0.000 2.741 293 N HA -0.243 4.498 4.740 0.001 0.000 0.250 293 N C -0.455 175.052 175.510 -0.004 0.000 1.115 293 N CA 0.541 53.590 53.050 -0.001 0.000 0.724 293 N CB -0.934 37.555 38.487 0.003 0.000 1.090 293 N HN 0.323 nan 8.380 nan 0.000 0.558 294 E N 1.768 121.964 120.200 -0.006 0.000 2.259 294 E HA 0.122 4.473 4.350 0.001 0.000 0.281 294 E C -0.083 176.508 176.600 -0.015 0.000 1.037 294 E CA -0.546 55.850 56.400 -0.006 0.000 0.854 294 E CB 0.690 30.389 29.700 -0.001 0.000 1.051 294 E HN 0.125 nan 8.360 nan 0.000 0.409 295 K N 5.445 125.837 120.400 -0.014 0.000 2.339 295 K HA 0.090 4.410 4.320 0.001 0.000 0.286 295 K C 0.453 177.041 176.600 -0.020 0.000 1.050 295 K CA -0.379 55.897 56.287 -0.019 0.000 0.956 295 K CB 0.519 33.011 32.500 -0.014 0.000 0.990 295 K HN 0.577 nan 8.250 nan 0.000 0.475 296 I N 1.537 122.088 120.570 -0.031 0.000 3.300 296 I HA -0.002 4.169 4.170 0.001 0.000 0.279 296 I C 0.706 176.808 176.117 -0.026 0.000 1.172 296 I CA 0.558 61.841 61.300 -0.028 0.000 1.431 296 I CB -0.362 37.612 38.000 -0.042 0.000 1.240 296 I HN 0.721 nan 8.210 nan 0.000 0.453 297 S N -0.865 114.815 115.700 -0.033 0.000 2.643 297 S HA 0.462 4.932 4.470 0.001 0.000 0.270 297 S C -1.337 173.246 174.600 -0.029 0.000 1.166 297 S CA -0.925 57.259 58.200 -0.027 0.000 0.815 297 S CB 2.722 65.905 63.200 -0.028 0.000 1.139 297 S HN 0.030 nan 8.310 nan 0.000 0.472 298 D N 0.533 120.918 120.400 -0.026 0.000 2.198 298 D HA 0.416 5.057 4.640 0.001 0.000 0.247 298 D C -0.524 175.758 176.300 -0.032 0.000 1.010 298 D CA -0.410 53.574 54.000 -0.026 0.000 0.880 298 D CB 1.801 42.586 40.800 -0.024 0.000 1.209 298 D HN 0.419 nan 8.370 nan 0.000 0.451 299 L N 2.052 123.254 121.223 -0.035 0.000 2.490 299 L HA 0.030 4.370 4.340 0.001 0.000 0.274 299 L C 0.378 177.214 176.870 -0.058 0.000 1.201 299 L CA 0.706 55.517 54.840 -0.048 0.000 0.869 299 L CB 0.073 42.099 42.059 -0.054 0.000 1.123 299 L HN 0.217 nan 8.230 nan 0.000 0.484 300 K N 3.410 123.768 120.400 -0.068 0.000 2.240 300 K HA 0.359 4.680 4.320 0.001 0.000 0.237 300 K C -0.384 176.154 176.600 -0.103 0.000 1.027 300 K CA -0.926 55.320 56.287 -0.068 0.000 0.937 300 K CB 0.611 33.080 32.500 -0.052 0.000 1.171 300 K HN 0.556 nan 8.250 nan 0.000 0.479 301 E N 1.693 121.841 120.200 -0.086 0.000 2.413 301 E HA -0.068 4.283 4.350 0.001 0.000 0.263 301 E C -0.421 176.094 176.600 -0.142 0.000 1.015 301 E CA 0.225 56.562 56.400 -0.104 0.000 0.916 301 E CB 0.215 29.879 29.700 -0.061 0.000 0.947 301 E HN 0.484 nan 8.360 nan 0.000 0.440 302 N N 1.712 120.285 118.700 -0.211 0.000 2.776 302 N HA -0.177 4.564 4.740 0.001 0.000 0.250 302 N C -0.947 174.304 175.510 -0.432 0.000 1.112 302 N CA 1.155 54.059 53.050 -0.243 0.000 0.733 302 N CB -1.039 37.418 38.487 -0.050 0.000 1.097 302 N HN 0.534 nan 8.380 nan 0.000 0.558 303 E N -0.908 118.940 120.200 -0.587 0.000 2.281 303 E HA 0.670 5.021 4.350 0.001 0.000 0.262 303 E C -0.710 175.321 176.600 -0.947 0.000 0.933 303 E CA -0.600 55.484 56.400 -0.527 0.000 0.809 303 E CB 0.994 30.589 29.700 -0.175 0.000 1.242 303 E HN 0.015 nan 8.360 nan 0.000 0.418 304 F N 0.537 120.579 119.950 0.153 0.000 2.562 304 F HA 0.458 4.986 4.527 0.001 0.000 0.319 304 F C -0.124 175.786 175.800 0.184 0.000 1.154 304 F CA -0.917 57.160 58.000 0.128 0.000 0.931 304 F CB 1.683 40.804 39.000 0.201 0.000 1.198 304 F HN 0.384 nan 8.300 nan 0.000 0.444 305 A N 3.262 126.149 122.820 0.112 0.000 2.309 305 A HA 0.771 5.091 4.320 0.001 0.000 0.298 305 A C -1.684 175.837 177.584 -0.106 0.000 1.165 305 A CA -0.310 51.795 52.037 0.113 0.000 0.821 305 A CB 0.260 19.280 19.000 0.033 0.000 1.102 305 A HN 0.717 nan 8.150 nan 0.000 0.500 306 Y N 0.877 121.362 120.300 0.309 0.000 2.492 306 Y HA 0.410 4.960 4.550 0.001 0.000 0.346 306 Y C -0.064 175.998 175.900 0.271 0.000 0.997 306 Y CA -0.605 57.642 58.100 0.245 0.000 1.025 306 Y CB 1.922 40.514 38.460 0.219 0.000 1.263 306 Y HN 0.564 nan 8.280 nan 0.000 0.454 307 L N 4.533 125.954 121.223 0.330 0.000 2.410 307 L HA 0.237 4.578 4.340 0.001 0.000 0.273 307 L C -0.593 176.466 176.870 0.316 0.000 1.144 307 L CA -0.051 54.965 54.840 0.293 0.000 0.863 307 L CB 0.295 42.462 42.059 0.181 0.000 1.140 307 L HN 0.451 nan 8.230 nan 0.000 0.463 308 L N 4.006 125.444 121.223 0.359 0.000 2.289 308 L HA 0.518 4.859 4.340 0.001 0.000 0.285 308 L C 0.289 177.289 176.870 0.216 0.000 1.049 308 L CA -0.294 54.706 54.840 0.266 0.000 0.804 308 L CB 1.567 43.782 42.059 0.260 0.000 1.195 308 L HN 0.664 nan 8.230 nan 0.000 0.428 309 T N -0.393 114.249 114.554 0.146 0.000 2.883 309 T HA 0.751 5.102 4.350 0.001 0.000 0.296 309 T C -0.128 174.606 174.700 0.057 0.000 1.117 309 T CA -0.587 61.569 62.100 0.093 0.000 1.006 309 T CB 2.077 70.990 68.868 0.076 0.000 1.191 309 T HN 0.587 nan 8.240 nan 0.000 0.508 310 G N 0.176 108.988 108.800 0.019 0.000 2.705 310 G HA2 0.489 4.449 3.960 0.001 0.000 0.299 310 G HA3 0.489 4.449 3.960 0.001 0.000 0.299 310 G C 0.360 175.247 174.900 -0.021 0.000 1.315 310 G CA -0.697 44.396 45.100 -0.012 0.000 1.045 310 G HN 0.848 nan 8.290 nan 0.000 0.517 311 N N -1.254 117.420 118.700 -0.044 0.000 2.236 311 N HA 0.032 4.772 4.740 0.001 0.000 0.196 311 N C 0.934 176.398 175.510 -0.076 0.000 1.114 311 N CA 0.391 53.413 53.050 -0.047 0.000 0.859 311 N CB -0.242 38.225 38.487 -0.034 0.000 0.982 311 N HN 0.523 nan 8.380 nan 0.000 0.493 312 T N -2.650 111.849 114.554 -0.092 0.000 2.813 312 T HA 0.133 4.484 4.350 0.001 0.000 0.297 312 T C 1.161 175.809 174.700 -0.086 0.000 1.036 312 T CA -0.494 61.533 62.100 -0.121 0.000 1.044 312 T CB 0.896 69.706 68.868 -0.098 0.000 0.993 312 T HN 0.179 nan 8.240 nan 0.000 0.535 313 C N 0.974 120.208 119.300 -0.110 0.000 2.539 313 C HA 0.260 4.720 4.460 0.001 0.000 0.271 313 C C 1.129 176.104 174.990 -0.024 0.000 1.412 313 C CA -0.476 58.502 59.018 -0.067 0.000 1.729 313 C CB -2.196 25.495 27.740 -0.082 0.000 1.739 313 C HN 0.621 nan 8.230 nan 0.000 0.570 314 L N 0.594 121.817 121.223 0.000 0.000 2.397 314 L HA 0.267 4.608 4.340 0.001 0.000 0.271 314 L C 1.576 178.462 176.870 0.026 0.000 1.148 314 L CA -0.188 54.676 54.840 0.041 0.000 0.825 314 L CB 0.452 42.563 42.059 0.088 0.000 1.117 314 L HN 0.204 nan 8.230 nan 0.000 0.456 315 A N 2.791 125.628 122.820 0.028 0.000 1.933 315 A HA -0.063 4.257 4.320 0.001 0.000 0.218 315 A C 1.780 179.379 177.584 0.025 0.000 1.175 315 A CA 1.602 53.653 52.037 0.023 0.000 0.628 315 A CB -0.675 18.338 19.000 0.022 0.000 0.814 315 A HN 0.931 nan 8.150 nan 0.000 0.444 316 G N -0.938 107.878 108.800 0.028 0.000 3.448 316 G HA2 0.215 4.176 3.960 0.001 0.000 0.261 316 G HA3 0.215 4.176 3.960 0.001 0.000 0.261 316 G C -0.081 174.831 174.900 0.021 0.000 1.173 316 G CA 0.262 45.376 45.100 0.024 0.000 0.835 316 G HN 0.295 nan 8.290 nan 0.000 0.534 317 D N 1.417 121.829 120.400 0.020 0.000 2.551 317 D HA 0.227 4.868 4.640 0.001 0.000 0.223 317 D C -0.506 175.802 176.300 0.013 0.000 1.144 317 D CA 0.132 54.136 54.000 0.006 0.000 1.025 317 D CB 0.341 41.139 40.800 -0.003 0.000 1.085 317 D HN -0.059 nan 8.370 nan 0.000 0.506 318 V N 4.267 124.194 119.914 0.022 0.000 2.525 318 V HA 0.121 4.241 4.120 0.001 0.000 0.299 318 V C 0.875 177.010 176.094 0.068 0.000 1.034 318 V CA -0.614 61.720 62.300 0.057 0.000 0.863 318 V CB 1.742 33.601 31.823 0.060 0.000 0.999 318 V HN 0.243 nan 8.190 nan 0.000 0.423 319 M N 2.776 122.454 119.600 0.130 0.000 2.288 319 M HA 0.438 4.919 4.480 0.001 0.000 0.266 319 M C 1.023 177.486 176.300 0.272 0.000 1.072 319 M CA 1.250 56.657 55.300 0.178 0.000 1.132 319 M CB -0.123 32.636 32.600 0.264 0.000 1.386 319 M HN 0.918 nan 8.290 nan 0.000 0.432 320 G N -0.776 108.200 108.800 0.294 0.000 2.369 320 G HA2 0.099 4.060 3.960 0.001 0.000 0.293 320 G HA3 0.099 4.060 3.960 0.001 0.000 0.293 320 G C -1.696 173.300 174.900 0.161 0.000 1.301 320 G CA -0.989 44.184 45.100 0.122 0.000 0.913 320 G HN 0.097 nan 8.290 nan 0.000 0.540 321 E N -0.369 119.782 120.200 -0.081 0.000 2.151 321 E HA 0.662 5.013 4.350 0.001 0.000 0.275 321 E C -1.397 175.109 176.600 -0.158 0.000 0.936 321 E CA -0.686 55.733 56.400 0.032 0.000 0.777 321 E CB 1.140 30.852 29.700 0.021 0.000 1.108 321 E HN 0.426 nan 8.360 nan 0.000 0.401 322 Y N 1.007 121.392 120.300 0.143 0.000 2.499 322 Y HA 0.557 5.107 4.550 0.001 0.000 0.347 322 Y C -0.065 175.881 175.900 0.076 0.000 0.987 322 Y CA -1.005 57.120 58.100 0.041 0.000 1.044 322 Y CB 2.274 40.722 38.460 -0.019 0.000 1.245 322 Y HN 0.571 nan 8.280 nan 0.000 0.461 323 A N 3.387 126.242 122.820 0.059 0.000 2.276 323 A HA 0.758 5.078 4.320 0.001 0.000 0.316 323 A C -1.370 176.167 177.584 -0.079 0.000 1.229 323 A CA -0.339 51.749 52.037 0.084 0.000 0.851 323 A CB -0.075 18.935 19.000 0.017 0.000 1.165 323 A HN 0.620 nan 8.150 nan 0.000 0.513 324 F N 0.683 120.788 119.950 0.257 0.000 2.557 324 F HA 0.394 4.922 4.527 0.001 0.000 0.336 324 F C 1.059 177.020 175.800 0.269 0.000 1.058 324 F CA -0.385 57.753 58.000 0.230 0.000 0.988 324 F CB 1.767 40.914 39.000 0.245 0.000 1.275 324 F HN 0.657 nan 8.300 nan 0.000 0.488 325 D N -0.646 119.998 120.400 0.408 0.000 2.368 325 D HA 0.105 4.746 4.640 0.001 0.000 0.218 325 D C -0.492 176.084 176.300 0.459 0.000 1.112 325 D CA -0.063 54.150 54.000 0.355 0.000 0.834 325 D CB -0.157 40.754 40.800 0.185 0.000 0.953 325 D HN 0.631 nan 8.370 nan 0.000 0.505 326 K N -0.957 119.710 120.400 0.444 0.000 2.533 326 K HA 0.465 4.785 4.320 0.001 0.000 0.272 326 K C -0.910 175.671 176.600 -0.032 0.000 0.985 326 K CA -1.068 55.309 56.287 0.149 0.000 0.876 326 K CB 1.799 34.329 32.500 0.050 0.000 1.452 326 K HN -0.298 nan 8.250 nan 0.000 0.439 327 K N 1.509 121.693 120.400 -0.360 0.000 2.326 327 K HA 0.203 4.524 4.320 0.001 0.000 0.275 327 K C -0.242 176.214 176.600 -0.240 0.000 1.018 327 K CA -0.387 55.752 56.287 -0.247 0.000 0.962 327 K CB 0.444 32.752 32.500 -0.320 0.000 0.953 327 K HN 0.353 nan 8.250 nan 0.000 0.475 328 L N 3.132 124.111 121.223 -0.408 0.000 2.417 328 L HA 0.195 4.536 4.340 0.001 0.000 0.268 328 L C 0.321 177.006 176.870 -0.309 0.000 1.158 328 L CA 0.114 54.612 54.840 -0.569 0.000 0.819 328 L CB 0.485 41.899 42.059 -1.075 0.000 1.112 328 L HN 0.500 nan 8.230 nan 0.000 0.458 329 K N 2.630 122.878 120.400 -0.253 0.000 2.395 329 K HA 0.531 4.852 4.320 0.001 0.000 0.247 329 K C -0.808 175.702 176.600 -0.150 0.000 0.973 329 K CA -0.992 55.199 56.287 -0.160 0.000 0.828 329 K CB 2.444 34.871 32.500 -0.122 0.000 1.272 329 K HN 0.367 nan 8.250 nan 0.000 0.439 330 I N 1.556 122.063 120.570 -0.106 0.000 2.775 330 I HA -0.138 4.033 4.170 0.001 0.000 0.290 330 I C 1.335 177.402 176.117 -0.084 0.000 1.203 330 I CA 1.489 62.737 61.300 -0.087 0.000 1.433 330 I CB 0.094 38.058 38.000 -0.060 0.000 1.354 330 I HN 1.076 nan 8.210 nan 0.000 0.579 331 G N 3.881 112.633 108.800 -0.081 0.000 2.217 331 G HA2 -0.226 3.735 3.960 0.001 0.000 0.246 331 G HA3 -0.226 3.735 3.960 0.001 0.000 0.246 331 G C 0.073 174.922 174.900 -0.086 0.000 0.990 331 G CA -0.289 44.768 45.100 -0.073 0.000 0.627 331 G HN 0.600 nan 8.290 nan 0.000 0.522 332 D N 1.555 121.884 120.400 -0.119 0.000 2.423 332 D HA 0.382 5.022 4.640 0.001 0.000 0.238 332 D C 0.720 176.943 176.300 -0.127 0.000 1.142 332 D CA 0.399 54.318 54.000 -0.136 0.000 0.884 332 D CB 0.611 41.291 40.800 -0.201 0.000 1.199 332 D HN 0.164 nan 8.370 nan 0.000 0.438 333 K N 1.967 122.301 120.400 -0.110 0.000 2.201 333 K HA 0.335 4.656 4.320 0.001 0.000 0.278 333 K C -0.140 176.381 176.600 -0.132 0.000 1.027 333 K CA -0.655 55.574 56.287 -0.097 0.000 0.909 333 K CB 1.415 33.873 32.500 -0.070 0.000 1.062 333 K HN 0.297 nan 8.250 nan 0.000 0.465 334 I N 3.123 123.598 120.570 -0.157 0.000 2.377 334 I HA 0.219 4.390 4.170 0.001 0.000 0.293 334 I C -0.009 175.926 176.117 -0.304 0.000 0.987 334 I CA -1.039 60.103 61.300 -0.262 0.000 1.185 334 I CB 1.486 39.273 38.000 -0.354 0.000 1.341 334 I HN 0.131 nan 8.210 nan 0.000 0.455 335 V N 7.075 126.792 119.914 -0.328 0.000 2.313 335 V HA 0.331 4.452 4.120 0.001 0.000 0.278 335 V C -0.293 175.611 176.094 -0.317 0.000 1.017 335 V CA -0.586 61.582 62.300 -0.220 0.000 0.823 335 V CB 0.722 32.482 31.823 -0.104 0.000 1.010 335 V HN 0.330 nan 8.190 nan 0.000 0.443 336 F N 4.963 124.892 119.950 -0.034 0.000 2.445 336 F HA 0.414 4.942 4.527 0.002 0.000 0.359 336 F C 0.525 176.330 175.800 0.007 0.000 1.101 336 F CA -0.328 57.661 58.000 -0.018 0.000 1.177 336 F CB 0.619 39.612 39.000 -0.011 0.000 1.110 336 F HN 0.245 nan 8.300 nan 0.000 0.522 337 L N 3.360 124.667 121.223 0.140 0.000 2.349 337 L HA 0.197 4.537 4.340 0.001 0.000 0.275 337 L C 0.085 176.998 176.870 0.073 0.000 1.115 337 L CA -0.385 54.498 54.840 0.070 0.000 0.820 337 L CB 0.398 42.472 42.059 0.024 0.000 1.135 337 L HN 0.649 nan 8.230 nan 0.000 0.445 338 D N 2.553 122.958 120.400 0.007 0.000 2.990 338 D HA -0.164 4.477 4.640 0.001 0.000 0.245 338 D C -0.033 176.258 176.300 -0.015 0.000 1.120 338 D CA 0.625 54.594 54.000 -0.052 0.000 0.838 338 D CB -0.065 40.617 40.800 -0.196 0.000 1.000 338 D HN 0.527 nan 8.370 nan 0.000 0.420 339 Q N 1.202 121.035 119.800 0.056 0.000 2.089 339 Q HA 0.220 4.561 4.340 0.001 0.000 0.248 339 Q C 1.258 177.342 176.000 0.141 0.000 0.828 339 Q CA -0.340 55.532 55.803 0.114 0.000 1.102 339 Q CB 0.556 29.440 28.738 0.243 0.000 1.221 339 Q HN 0.499 nan 8.270 nan 0.000 0.455 340 I N -0.356 120.269 120.570 0.092 0.000 3.526 340 I HA 0.001 4.172 4.170 0.001 0.000 0.294 340 I C 0.818 177.052 176.117 0.196 0.000 1.229 340 I CA 0.548 61.934 61.300 0.142 0.000 1.408 340 I CB -0.445 37.673 38.000 0.195 0.000 1.127 340 I HN 0.197 nan 8.210 nan 0.000 0.439 341 H N -1.891 117.324 119.070 0.240 0.000 2.467 341 H HA 0.380 4.936 4.556 0.001 0.000 0.331 341 H C -0.537 174.938 175.328 0.244 0.000 1.120 341 H CA -0.800 55.389 56.048 0.235 0.000 1.270 341 H CB 0.271 30.222 29.762 0.315 0.000 1.466 341 H HN 0.045 nan 8.280 nan 0.000 0.504 342 Y N 0.604 121.017 120.300 0.188 0.000 3.589 342 Y HA -0.349 4.202 4.550 0.001 0.000 0.218 342 Y C 0.993 176.923 175.900 0.050 0.000 1.234 342 Y CA 1.258 59.427 58.100 0.115 0.000 1.576 342 Y CB -2.172 36.392 38.460 0.174 0.000 1.487 342 Y HN 1.047 nan 8.280 nan 0.000 0.616 343 T N -5.143 109.444 114.554 0.055 0.000 3.429 343 T HA 0.204 4.554 4.350 0.001 0.000 0.212 343 T C 1.507 176.148 174.700 -0.099 0.000 0.980 343 T CA 0.411 62.524 62.100 0.023 0.000 1.201 343 T CB -0.481 68.404 68.868 0.028 0.000 1.289 343 T HN 0.103 nan 8.240 nan 0.000 0.346 344 I N 3.392 123.757 120.570 -0.342 0.000 2.145 344 I HA -0.204 3.967 4.170 0.001 0.000 0.244 344 I C 2.775 178.766 176.117 -0.212 0.000 1.075 344 I CA 1.946 63.005 61.300 -0.403 0.000 1.332 344 I CB -0.733 36.972 38.000 -0.492 0.000 1.033 344 I HN 0.342 nan 8.210 nan 0.000 0.410 345 V N -1.920 117.883 119.914 -0.185 0.000 3.026 345 V HA -0.157 3.964 4.120 0.001 0.000 0.265 345 V C 1.694 177.739 176.094 -0.082 0.000 1.121 345 V CA 1.569 63.773 62.300 -0.160 0.000 1.142 345 V CB -0.773 30.935 31.823 -0.192 0.000 0.730 345 V HN 0.416 nan 8.190 nan 0.000 0.503 346 K N 0.899 121.277 120.400 -0.037 0.000 2.533 346 K HA 0.232 4.553 4.320 0.001 0.000 0.202 346 K C 0.320 176.937 176.600 0.029 0.000 1.096 346 K CA -0.099 56.196 56.287 0.014 0.000 1.056 346 K CB 0.309 32.848 32.500 0.065 0.000 0.890 346 K HN 0.731 nan 8.250 nan 0.000 0.552 347 N N 0.693 119.404 118.700 0.019 0.000 2.379 347 N HA 0.146 4.887 4.740 0.001 0.000 0.260 347 N C -0.130 175.415 175.510 0.059 0.000 1.254 347 N CA -0.054 53.041 53.050 0.074 0.000 0.958 347 N CB 0.817 39.389 38.487 0.142 0.000 1.208 347 N HN -0.047 nan 8.380 nan 0.000 0.532 348 T N -5.799 108.821 114.554 0.111 0.000 2.812 348 T HA 0.489 4.840 4.350 0.001 0.000 0.294 348 T C 0.129 174.916 174.700 0.146 0.000 1.159 348 T CA -0.468 61.695 62.100 0.105 0.000 1.008 348 T CB 0.792 69.726 68.868 0.110 0.000 1.289 348 T HN 0.653 nan 8.240 nan 0.000 0.514 349 T N -0.539 114.114 114.554 0.164 0.000 3.248 349 T HA 0.318 4.669 4.350 0.001 0.000 0.271 349 T C 0.088 174.931 174.700 0.239 0.000 1.005 349 T CA -0.600 61.617 62.100 0.194 0.000 0.902 349 T CB -0.874 68.152 68.868 0.263 0.000 1.102 349 T HN 0.525 nan 8.240 nan 0.000 0.548 350 F N 3.288 123.275 119.950 0.061 0.000 2.629 350 F HA 0.141 4.669 4.527 0.001 0.000 0.377 350 F C 1.173 176.968 175.800 -0.007 0.000 1.101 350 F CA 0.013 58.038 58.000 0.042 0.000 1.301 350 F CB -0.447 38.556 39.000 0.004 0.000 1.062 350 F HN 0.607 nan 8.300 nan 0.000 0.583 351 N N 2.689 121.011 118.700 -0.629 0.000 2.778 351 N HA -0.228 4.513 4.740 0.001 0.000 0.249 351 N C 0.870 176.149 175.510 -0.385 0.000 1.069 351 N CA 0.583 53.284 53.050 -0.581 0.000 0.831 351 N CB -1.216 36.834 38.487 -0.729 0.000 1.142 351 N HN 1.405 nan 8.380 nan 0.000 0.573 352 G N -0.304 108.237 108.800 -0.431 0.000 2.225 352 G HA2 -0.301 3.660 3.960 0.001 0.000 0.267 352 G HA3 -0.301 3.660 3.960 0.001 0.000 0.267 352 G C 0.181 174.848 174.900 -0.388 0.000 1.024 352 G CA 0.386 45.002 45.100 -0.808 0.000 0.784 352 G HN 0.430 nan 8.290 nan 0.000 0.507 353 I N 0.420 120.866 120.570 -0.205 0.000 2.556 353 I HA 0.141 4.312 4.170 0.001 0.000 0.284 353 I C 1.389 177.516 176.117 0.016 0.000 1.114 353 I CA -0.660 60.590 61.300 -0.083 0.000 1.418 353 I CB 0.770 38.725 38.000 -0.075 0.000 1.394 353 I HN 0.316 nan 8.210 nan 0.000 0.552 354 R N 6.051 126.571 120.500 0.034 0.000 2.502 354 R HA 0.111 4.452 4.340 0.001 0.000 0.292 354 R C -0.536 175.818 176.300 0.090 0.000 0.998 354 R CA -0.311 55.827 56.100 0.063 0.000 1.056 354 R CB 0.244 30.574 30.300 0.051 0.000 0.939 354 R HN 0.513 nan 8.270 nan 0.000 0.411 355 L N 7.287 128.537 121.223 0.044 0.000 2.461 355 L HA 0.198 4.539 4.340 0.001 0.000 0.272 355 L C -1.837 174.988 176.870 -0.075 0.000 1.197 355 L CA -1.861 52.928 54.840 -0.085 0.000 0.836 355 L CB 0.829 42.743 42.059 -0.242 0.000 1.105 355 L HN 0.572 nan 8.230 nan 0.000 0.477 356 P HA 0.094 nan 4.420 nan 0.000 0.276 356 P C -1.025 176.436 177.300 0.269 0.000 1.235 356 P CA -0.418 62.605 63.100 -0.127 0.000 0.772 356 P CB 0.393 31.759 31.700 -0.557 0.000 0.871 357 N N 2.181 121.011 118.700 0.218 0.000 2.416 357 N HA 0.081 4.822 4.740 0.001 0.000 0.246 357 N C -0.165 175.486 175.510 0.234 0.000 1.260 357 N CA 0.182 53.343 53.050 0.185 0.000 0.897 357 N CB 0.130 38.640 38.487 0.039 0.000 1.110 357 N HN 0.321 nan 8.380 nan 0.000 0.439 358 L N 2.015 123.304 121.223 0.111 0.000 2.275 358 L HA 0.494 4.835 4.340 0.001 0.000 0.288 358 L C 0.263 177.223 176.870 0.149 0.000 1.046 358 L CA -0.226 54.713 54.840 0.166 0.000 0.805 358 L CB 0.538 42.519 42.059 -0.129 0.000 1.193 358 L HN 0.288 nan 8.230 nan 0.000 0.426 359 M N 4.284 124.075 119.600 0.319 0.000 2.593 359 M HA 0.555 5.035 4.480 0.001 0.000 0.290 359 M C -1.410 175.066 176.300 0.293 0.000 1.244 359 M CA -0.729 54.711 55.300 0.232 0.000 0.857 359 M CB 3.263 35.941 32.600 0.130 0.000 1.738 359 M HN 0.373 nan 8.290 nan 0.000 0.461 360 L N 2.312 123.650 121.223 0.192 0.000 2.381 360 L HA 0.615 4.956 4.340 0.001 0.000 0.274 360 L C -1.832 175.081 176.870 0.072 0.000 0.988 360 L CA -0.656 54.266 54.840 0.136 0.000 0.824 360 L CB 1.744 43.911 42.059 0.181 0.000 1.263 360 L HN 0.681 nan 8.230 nan 0.000 0.410 361 L N 5.277 126.523 121.223 0.038 0.000 2.261 361 L HA 0.433 4.774 4.340 0.001 0.000 0.289 361 L C -0.365 176.520 176.870 0.025 0.000 1.059 361 L CA -0.001 54.853 54.840 0.023 0.000 0.816 361 L CB 0.284 42.351 42.059 0.013 0.000 1.191 361 L HN 0.801 nan 8.230 nan 0.000 0.431 362 D N 2.323 122.730 120.400 0.011 0.000 2.451 362 D HA 0.056 4.696 4.640 0.001 0.000 0.259 362 D C 1.254 177.549 176.300 -0.008 0.000 1.201 362 D CA 0.222 54.233 54.000 0.019 0.000 1.028 362 D CB 0.183 40.969 40.800 -0.023 0.000 1.095 362 D HN 0.660 nan 8.370 nan 0.000 0.539 363 H N -0.878 118.210 119.070 0.030 0.000 2.518 363 H HA 0.004 4.561 4.556 0.001 0.000 0.289 363 H C 0.341 175.682 175.328 0.021 0.000 1.051 363 H CA 0.677 56.741 56.048 0.027 0.000 1.280 363 H CB -0.134 29.648 29.762 0.033 0.000 1.380 363 H HN 0.337 nan 8.280 nan 0.000 0.566 364 K N 0.571 120.759 120.400 -0.355 0.000 2.387 364 K HA 0.026 4.347 4.320 0.001 0.000 0.198 364 K C -0.034 176.505 176.600 -0.101 0.000 1.022 364 K CA -0.213 55.949 56.287 -0.209 0.000 1.128 364 K CB 0.338 32.671 32.500 -0.277 0.000 0.853 364 K HN 0.163 nan 8.250 nan 0.000 0.523 365 N N 2.137 120.794 118.700 -0.072 0.000 2.741 365 N HA -0.154 4.587 4.740 0.001 0.000 0.250 365 N C -1.033 174.454 175.510 -0.038 0.000 1.115 365 N CA 0.965 53.993 53.050 -0.036 0.000 0.724 365 N CB -1.089 37.386 38.487 -0.020 0.000 1.090 365 N HN 0.484 nan 8.380 nan 0.000 0.558 366 E N 0.325 120.492 120.200 -0.055 0.000 2.175 366 E HA 0.329 4.680 4.350 0.001 0.000 0.278 366 E C -0.058 176.531 176.600 -0.018 0.000 0.969 366 E CA -0.875 55.502 56.400 -0.039 0.000 0.796 366 E CB 1.473 31.141 29.700 -0.053 0.000 1.104 366 E HN 0.045 nan 8.360 nan 0.000 0.395 367 L N 3.592 124.812 121.223 -0.005 0.000 2.367 367 L HA 0.090 4.430 4.340 0.001 0.000 0.275 367 L C -0.711 176.168 176.870 0.015 0.000 1.129 367 L CA 0.324 55.171 54.840 0.011 0.000 0.839 367 L CB 0.562 42.627 42.059 0.011 0.000 1.133 367 L HN 0.413 nan 8.230 nan 0.000 0.453 368 Q N 4.669 124.489 119.800 0.033 0.000 2.340 368 Q HA 0.355 4.696 4.340 0.001 0.000 0.268 368 Q C -0.878 175.146 176.000 0.041 0.000 1.031 368 Q CA -0.794 55.029 55.803 0.033 0.000 0.804 368 Q CB 2.072 30.838 28.738 0.047 0.000 1.286 368 Q HN 0.625 nan 8.270 nan 0.000 0.448 369 M N 3.623 123.231 119.600 0.014 0.000 2.162 369 M HA 0.165 4.646 4.480 0.001 0.000 0.356 369 M C -0.170 176.116 176.300 -0.023 0.000 1.303 369 M CA 0.204 55.501 55.300 -0.006 0.000 1.116 369 M CB 0.282 32.863 32.600 -0.031 0.000 1.632 369 M HN 0.632 nan 8.290 nan 0.000 0.469 370 I N 3.300 123.845 120.570 -0.042 0.000 3.136 370 I HA 0.230 4.401 4.170 0.001 0.000 0.262 370 I C 0.389 176.388 176.117 -0.196 0.000 1.132 370 I CA 0.805 62.053 61.300 -0.087 0.000 1.450 370 I CB -0.301 37.649 38.000 -0.083 0.000 1.315 370 I HN 0.573 nan 8.210 nan 0.000 0.460 371 R N 1.322 121.646 120.500 -0.294 0.000 2.574 371 R HA 0.403 4.744 4.340 0.001 0.000 0.288 371 R C -0.676 175.245 176.300 -0.631 0.000 1.004 371 R CA -0.442 55.353 56.100 -0.508 0.000 0.895 371 R CB 2.657 32.498 30.300 -0.765 0.000 1.191 371 R HN 0.087 nan 8.270 nan 0.000 0.444 372 E N 3.576 123.467 120.200 -0.514 0.000 2.145 372 E HA 0.319 4.670 4.350 0.001 0.000 0.270 372 E C -0.949 175.424 176.600 -0.379 0.000 0.906 372 E CA -0.483 55.692 56.400 -0.375 0.000 0.761 372 E CB 0.767 30.373 29.700 -0.156 0.000 1.116 372 E HN 0.223 nan 8.360 nan 0.000 0.408 373 F N 1.774 121.729 119.950 0.008 0.000 2.375 373 F HA 0.457 4.985 4.527 0.001 0.000 0.317 373 F C 0.972 176.793 175.800 0.035 0.000 1.124 373 F CA -0.227 57.783 58.000 0.016 0.000 1.050 373 F CB 1.482 40.494 39.000 0.019 0.000 1.314 373 F HN 0.520 nan 8.300 nan 0.000 0.511 374 S N -0.567 115.293 115.700 0.266 0.000 2.688 374 S HA 0.243 4.713 4.470 0.001 0.000 0.275 374 S C 0.207 174.938 174.600 0.218 0.000 1.175 374 S CA -0.657 57.661 58.200 0.197 0.000 0.818 374 S CB 0.352 63.644 63.200 0.154 0.000 1.157 374 S HN 0.656 nan 8.310 nan 0.000 0.482 375 Y N 1.910 122.275 120.300 0.108 0.000 2.181 375 Y HA -0.110 4.441 4.550 0.001 0.000 0.284 375 Y C 1.905 177.898 175.900 0.155 0.000 1.179 375 Y CA 2.288 60.466 58.100 0.131 0.000 1.179 375 Y CB -0.304 38.216 38.460 0.100 0.000 0.973 375 Y HN 0.608 nan 8.280 nan 0.000 0.519 376 K N 0.349 120.691 120.400 -0.097 0.000 2.280 376 K HA -0.160 4.161 4.320 0.001 0.000 0.202 376 K C 1.604 178.124 176.600 -0.133 0.000 1.047 376 K CA 1.315 57.469 56.287 -0.221 0.000 0.942 376 K CB -0.450 32.021 32.500 -0.048 0.000 0.739 376 K HN 0.548 nan 8.250 nan 0.000 0.457 377 D N -0.085 120.308 120.400 -0.012 0.000 2.178 377 D HA -0.176 4.465 4.640 0.001 0.000 0.201 377 D C 1.772 178.069 176.300 -0.005 0.000 0.980 377 D CA 1.018 55.024 54.000 0.010 0.000 0.842 377 D CB -0.007 40.829 40.800 0.060 0.000 0.948 377 D HN 0.251 nan 8.370 nan 0.000 0.472 378 Y N 1.797 122.018 120.300 -0.131 0.000 2.177 378 Y HA -0.164 4.387 4.550 0.001 0.000 0.291 378 Y C 2.589 178.380 175.900 -0.183 0.000 1.117 378 Y CA 1.905 59.932 58.100 -0.121 0.000 1.114 378 Y CB -0.494 37.926 38.460 -0.066 0.000 1.017 378 Y HN -0.074 nan 8.280 nan 0.000 0.505 379 S N 0.406 115.778 115.700 -0.548 0.000 2.382 379 S HA -0.170 4.301 4.470 0.001 0.000 0.228 379 S C 1.739 176.099 174.600 -0.400 0.000 1.027 379 S CA 1.617 59.437 58.200 -0.635 0.000 0.991 379 S CB -1.029 61.687 63.200 -0.807 0.000 0.823 379 S HN 0.496 nan 8.310 nan 0.000 0.469 380 L N 0.152 121.199 121.223 -0.293 0.000 2.599 380 L HA 0.273 4.613 4.340 0.001 0.000 0.230 380 L C 2.174 178.960 176.870 -0.140 0.000 1.141 380 L CA 0.102 54.840 54.840 -0.172 0.000 0.877 380 L CB -0.184 41.805 42.059 -0.117 0.000 1.009 380 L HN 0.181 nan 8.230 nan 0.000 0.447 381 R N -0.143 120.250 120.500 -0.178 0.000 2.432 381 R HA 0.235 4.575 4.340 0.001 0.000 0.260 381 R C -0.258 175.954 176.300 -0.147 0.000 0.935 381 R CA 0.056 56.082 56.100 -0.123 0.000 1.080 381 R CB 0.107 30.355 30.300 -0.087 0.000 1.155 381 R HN 0.397 nan 8.270 nan 0.000 0.531 382 N N 0.000 118.569 118.700 -0.218 0.000 1.763 382 N HA 0.000 4.741 4.740 0.001 0.000 0.220 382 N CA 0.000 52.935 53.050 -0.191 0.000 0.885 382 N CB 0.000 38.284 38.487 -0.338 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667