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 2nmt_1_A DATA FIRST_RESID 34 DATA SEQUENCE AMKDHKFWRT QPVKDFDEKV VEEGPIDKPK TPEDISDKPL PLLSSFEWCS DATA SEQUENCE IDVDNKKQLE DVFVLLNENY VEDRDAGFRF NYTKEFFNWA LKSPGWKKDW DATA SEQUENCE HIGVRVKETQ KLVAFISAIP VTLGVRGKQV PSVEINFLCV HKQLRSKRLT DATA SEQUENCE PVLIKEITRR VNKCDIWHAL YTAGIVLPAP VSTCRYTHRP LNWKKLYEVD DATA SEQUENCE FTGLPDGHTE EDMIAENALP AKTKTAGLRK LKKEDIDQVF ELFKRYQSRF DATA SEQUENCE ELIQIFTKEE FEHNFIGEES LPLDKQVIFS YVVEQPDGKI TDFFSFYSLP DATA SEQUENCE FTILNNTKYK DLGIGYLYYY ATDADFQFKD RFDPKATKAL KTRLCELIYD DATA SEQUENCE ACILAKNANM DVFNALTSQD NTLFLDDLKF GPGDGFLNFY LFNYRAKPIT DATA SEQUENCE GGLNPDNSND IKRRSNVGVV ML 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.668 177.584 0.140 0.000 1.274 34 A CA 0.000 52.114 52.037 0.129 0.000 0.836 34 A CB 0.000 19.009 19.000 0.014 0.000 0.831 35 M N 0.695 120.468 119.600 0.289 0.000 2.195 35 M HA -0.280 4.200 4.480 -0.000 0.000 0.254 35 M C 2.134 178.519 176.300 0.142 0.000 1.083 35 M CA 2.868 58.298 55.300 0.217 0.000 1.069 35 M CB -0.252 32.406 32.600 0.097 0.000 1.364 35 M HN 0.554 nan 8.290 nan 0.000 0.403 36 K N -0.112 120.339 120.400 0.085 0.000 2.211 36 K HA -0.141 4.178 4.320 -0.000 0.000 0.203 36 K C 1.189 177.817 176.600 0.045 0.000 1.050 36 K CA 1.855 58.179 56.287 0.061 0.000 0.945 36 K CB -1.020 31.508 32.500 0.046 0.000 0.732 36 K HN 0.692 nan 8.250 nan 0.000 0.451 37 D N -0.198 120.191 120.400 -0.017 0.000 2.347 37 D HA -0.022 4.618 4.640 -0.000 0.000 0.213 37 D C -0.239 176.056 176.300 -0.008 0.000 0.985 37 D CA 0.163 54.135 54.000 -0.047 0.000 0.879 37 D CB 0.033 40.765 40.800 -0.114 0.000 0.919 37 D HN 0.528 nan 8.370 nan 0.000 0.526 38 H N 1.024 120.189 119.070 0.157 0.000 2.914 38 H HA 0.216 4.772 4.556 -0.001 0.000 0.264 38 H C 1.681 177.107 175.328 0.164 0.000 1.433 38 H CA -0.223 55.952 56.048 0.210 0.000 1.342 38 H CB 0.527 30.456 29.762 0.278 0.000 1.582 38 H HN 0.080 nan 8.280 nan 0.000 0.525 39 K N 2.827 123.374 120.400 0.246 0.000 2.089 39 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 39 K C 1.685 178.388 176.600 0.173 0.000 1.048 39 K CA 1.867 58.257 56.287 0.172 0.000 0.926 39 K CB -0.642 31.948 32.500 0.151 0.000 0.714 39 K HN 0.407 nan 8.250 nan 0.000 0.448 40 F N -1.110 118.893 119.950 0.089 0.000 2.104 40 F HA 0.119 4.646 4.527 -0.000 0.000 0.288 40 F C 2.099 177.884 175.800 -0.024 0.000 1.107 40 F CA 0.796 58.774 58.000 -0.037 0.000 1.208 40 F CB -0.628 38.263 39.000 -0.181 0.000 1.033 40 F HN 0.300 nan 8.300 nan 0.000 0.478 41 W N 2.186 123.170 121.300 -0.528 0.000 2.389 41 W HA -0.159 4.501 4.660 -0.001 0.000 0.267 41 W C 2.316 178.624 176.519 -0.352 0.000 1.219 41 W CA 1.399 58.379 57.345 -0.607 0.000 1.189 41 W CB -0.402 28.880 29.460 -0.296 0.000 1.129 41 W HN 0.123 nan 8.180 nan 0.000 0.581 42 R N 0.294 120.809 120.500 0.025 0.000 2.339 42 R HA -0.004 4.336 4.340 -0.000 0.000 0.199 42 R C 1.178 177.450 176.300 -0.046 0.000 1.018 42 R CA 1.545 57.661 56.100 0.027 0.000 1.036 42 R CB -1.015 29.324 30.300 0.064 0.000 0.899 42 R HN 0.184 nan 8.270 nan 0.000 0.473 43 T N -3.881 110.581 114.554 -0.153 0.000 3.040 43 T HA 0.152 4.502 4.350 -0.000 0.000 0.266 43 T C 0.285 174.908 174.700 -0.129 0.000 1.005 43 T CA -0.546 61.481 62.100 -0.122 0.000 0.906 43 T CB 0.368 69.169 68.868 -0.111 0.000 1.082 43 T HN 0.009 nan 8.240 nan 0.000 0.531 44 Q N 2.602 122.310 119.800 -0.154 0.000 2.230 44 Q HA 0.320 4.660 4.340 -0.000 0.000 0.248 44 Q C -2.393 173.541 176.000 -0.110 0.000 0.915 44 Q CA -2.564 53.191 55.803 -0.079 0.000 0.900 44 Q CB 1.392 30.151 28.738 0.034 0.000 1.229 44 Q HN 0.156 nan 8.270 nan 0.000 0.439 45 P HA 0.003 nan 4.420 nan 0.000 0.246 45 P C -0.341 176.774 177.300 -0.309 0.000 1.675 45 P CA 0.221 63.148 63.100 -0.288 0.000 0.908 45 P CB -0.394 31.111 31.700 -0.324 0.000 1.890 46 V N -2.490 117.324 119.914 -0.166 0.000 2.815 46 V HA 0.475 4.594 4.120 -0.000 0.000 0.314 46 V C 0.806 176.855 176.094 -0.075 0.000 1.064 46 V CA -1.670 60.576 62.300 -0.091 0.000 0.952 46 V CB 1.907 33.719 31.823 -0.019 0.000 1.020 46 V HN 0.006 nan 8.190 nan 0.000 0.439 47 K N 0.966 121.338 120.400 -0.047 0.000 2.174 47 K HA 0.044 4.364 4.320 -0.000 0.000 0.247 47 K C -0.520 176.011 176.600 -0.115 0.000 1.056 47 K CA 0.617 56.873 56.287 -0.053 0.000 0.799 47 K CB 0.231 32.724 32.500 -0.011 0.000 1.066 47 K HN 1.031 nan 8.250 nan 0.000 0.530 48 D N -1.882 118.459 120.400 -0.099 0.000 2.559 48 D HA 0.226 4.866 4.640 -0.000 0.000 0.250 48 D C 0.427 176.693 176.300 -0.057 0.000 1.135 48 D CA -0.597 53.305 54.000 -0.164 0.000 0.955 48 D CB 0.680 41.429 40.800 -0.085 0.000 1.442 48 D HN 0.412 nan 8.370 nan 0.000 0.471 49 F N 0.071 120.042 119.950 0.036 0.000 2.134 49 F HA -0.136 4.390 4.527 -0.001 0.000 0.299 49 F C 2.069 177.880 175.800 0.018 0.000 1.097 49 F CA 1.137 59.154 58.000 0.029 0.000 1.264 49 F CB -0.012 39.009 39.000 0.036 0.000 1.001 49 F HN 0.436 nan 8.300 nan 0.000 0.479 50 D N 0.587 121.112 120.400 0.209 0.000 2.096 50 D HA -0.202 4.438 4.640 -0.000 0.000 0.207 50 D C 0.654 177.001 176.300 0.078 0.000 0.976 50 D CA 0.277 54.345 54.000 0.115 0.000 0.875 50 D CB -1.499 39.352 40.800 0.085 0.000 1.009 50 D HN 0.224 nan 8.370 nan 0.000 0.449 51 E N 1.526 121.759 120.200 0.054 0.000 3.377 51 E HA -0.210 4.139 4.350 -0.000 0.000 0.294 51 E C -0.365 176.252 176.600 0.029 0.000 0.760 51 E CA 0.372 56.790 56.400 0.030 0.000 1.073 51 E CB 0.167 29.875 29.700 0.012 0.000 0.770 51 E HN 0.025 nan 8.360 nan 0.000 0.523 52 K N 2.862 123.276 120.400 0.022 0.000 2.095 52 K HA 0.452 4.772 4.320 -0.000 0.000 0.252 52 K C -1.253 175.354 176.600 0.011 0.000 0.977 52 K CA -0.735 55.564 56.287 0.020 0.000 0.900 52 K CB 1.731 34.242 32.500 0.019 0.000 1.060 52 K HN 0.228 nan 8.250 nan 0.000 0.449 53 V N 3.036 122.957 119.914 0.011 0.000 2.864 53 V HA 0.369 4.489 4.120 -0.000 0.000 0.314 53 V C 0.321 176.416 176.094 0.003 0.000 1.073 53 V CA -0.673 61.628 62.300 0.002 0.000 0.956 53 V CB 1.915 33.739 31.823 0.003 0.000 1.023 53 V HN 0.679 nan 8.190 nan 0.000 0.435 54 V N 1.091 121.001 119.914 -0.006 0.000 3.090 54 V HA 0.261 4.381 4.120 -0.000 0.000 0.237 54 V C 0.549 176.639 176.094 -0.007 0.000 1.209 54 V CA 0.326 62.624 62.300 -0.004 0.000 1.209 54 V CB 0.371 32.190 31.823 -0.008 0.000 0.971 54 V HN 0.876 nan 8.190 nan 0.000 0.477 55 E N 1.542 121.730 120.200 -0.021 0.000 2.141 55 E HA 0.267 4.616 4.350 -0.000 0.000 0.259 55 E C -0.689 175.875 176.600 -0.059 0.000 0.883 55 E CA -0.363 56.019 56.400 -0.030 0.000 0.744 55 E CB 0.921 30.598 29.700 -0.038 0.000 1.150 55 E HN 0.504 nan 8.360 nan 0.000 0.420 56 E N 2.558 122.740 120.200 -0.030 0.000 2.366 56 E HA 0.397 4.747 4.350 -0.000 0.000 0.266 56 E C 0.066 176.507 176.600 -0.264 0.000 1.015 56 E CA 0.103 56.469 56.400 -0.057 0.000 0.906 56 E CB 1.246 31.051 29.700 0.175 0.000 0.979 56 E HN 0.644 nan 8.360 nan 0.000 0.443 57 G N 3.138 111.508 108.800 -0.718 0.000 2.451 57 G HA2 0.270 4.230 3.960 -0.000 0.000 0.292 57 G HA3 0.270 4.230 3.960 -0.000 0.000 0.292 57 G C -3.049 171.319 174.900 -0.888 0.000 1.427 57 G CA -1.114 43.507 45.100 -0.798 0.000 0.792 57 G HN 0.207 nan 8.290 nan 0.000 0.498 58 P HA 0.192 nan 4.420 nan 0.000 0.267 58 P C 0.652 177.875 177.300 -0.128 0.000 1.201 58 P CA -0.225 62.775 63.100 -0.166 0.000 0.775 58 P CB 0.673 32.413 31.700 0.066 0.000 0.854 59 I N -0.408 120.137 120.570 -0.043 0.000 3.526 59 I HA 0.151 4.321 4.170 -0.000 0.000 0.294 59 I C 0.511 176.602 176.117 -0.044 0.000 1.229 59 I CA 0.859 62.120 61.300 -0.065 0.000 1.408 59 I CB -0.838 37.116 38.000 -0.077 0.000 1.127 59 I HN 0.256 nan 8.210 nan 0.000 0.439 60 D N 2.148 122.541 120.400 -0.012 0.000 2.253 60 D HA 0.404 5.044 4.640 -0.000 0.000 0.249 60 D C 0.542 176.812 176.300 -0.051 0.000 1.049 60 D CA 0.025 54.013 54.000 -0.021 0.000 0.929 60 D CB 1.126 41.935 40.800 0.015 0.000 1.176 60 D HN 0.067 nan 8.370 nan 0.000 0.437 61 K N 1.614 121.976 120.400 -0.062 0.000 2.382 61 K HA 0.334 4.654 4.320 -0.000 0.000 0.275 61 K C -2.280 174.236 176.600 -0.140 0.000 1.009 61 K CA -1.129 55.108 56.287 -0.082 0.000 0.970 61 K CB -0.862 31.598 32.500 -0.066 0.000 0.934 61 K HN 0.349 nan 8.250 nan 0.000 0.479 62 P HA 0.013 nan 4.420 nan 0.000 0.266 62 P C -0.467 176.612 177.300 -0.369 0.000 1.180 62 P CA 0.276 63.195 63.100 -0.300 0.000 0.765 62 P CB 0.430 31.994 31.700 -0.227 0.000 0.806 63 K N 0.423 120.407 120.400 -0.694 0.000 2.372 63 K HA 0.774 5.094 4.320 -0.000 0.000 0.251 63 K C -0.640 175.525 176.600 -0.725 0.000 1.055 63 K CA -0.721 55.162 56.287 -0.673 0.000 0.879 63 K CB 2.198 34.273 32.500 -0.709 0.000 1.384 63 K HN 0.333 nan 8.250 nan 0.000 0.465 64 T N 0.027 114.451 114.554 -0.218 0.000 2.889 64 T HA 0.281 4.630 4.350 -0.000 0.000 0.315 64 T C -2.228 172.695 174.700 0.372 0.000 1.291 64 T CA -1.977 60.183 62.100 0.100 0.000 1.028 64 T CB 1.341 70.218 68.868 0.014 0.000 1.235 64 T HN 0.233 nan 8.240 nan 0.000 0.491 65 P HA -0.213 nan 4.420 nan 0.000 0.216 65 P C 1.038 178.429 177.300 0.152 0.000 1.154 65 P CA 1.856 65.104 63.100 0.246 0.000 0.865 65 P CB -0.034 31.756 31.700 0.151 0.000 0.789 66 E N -0.113 120.155 120.200 0.112 0.000 2.273 66 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 66 E C 1.422 178.066 176.600 0.073 0.000 1.002 66 E CA 1.285 57.727 56.400 0.070 0.000 0.828 66 E CB -0.951 28.778 29.700 0.049 0.000 0.747 66 E HN 0.223 nan 8.360 nan 0.000 0.491 67 D N 0.351 120.814 120.400 0.105 0.000 2.317 67 D HA 0.016 4.655 4.640 -0.000 0.000 0.211 67 D C 0.486 176.853 176.300 0.112 0.000 0.966 67 D CA 0.451 54.510 54.000 0.099 0.000 0.876 67 D CB 0.225 41.088 40.800 0.104 0.000 0.927 67 D HN 0.208 nan 8.370 nan 0.000 0.519 68 I N 0.590 121.236 120.570 0.126 0.000 2.499 68 I HA 0.073 4.242 4.170 -0.000 0.000 0.296 68 I C 0.998 177.140 176.117 0.041 0.000 0.992 68 I CA -0.675 60.677 61.300 0.086 0.000 1.297 68 I CB 1.211 39.249 38.000 0.064 0.000 1.410 68 I HN -0.252 nan 8.210 nan 0.000 0.507 69 S N 2.431 118.145 115.700 0.024 0.000 2.562 69 S HA 0.058 4.528 4.470 -0.000 0.000 0.281 69 S C 0.590 175.186 174.600 -0.007 0.000 1.333 69 S CA -0.176 58.030 58.200 0.010 0.000 1.052 69 S CB 0.343 63.549 63.200 0.009 0.000 0.884 69 S HN 0.503 nan 8.310 nan 0.000 0.506 70 D N 1.953 122.350 120.400 -0.006 0.000 2.350 70 D HA 0.129 4.768 4.640 -0.000 0.000 0.213 70 D C 0.195 176.481 176.300 -0.023 0.000 1.031 70 D CA 0.535 54.525 54.000 -0.018 0.000 0.861 70 D CB 0.159 40.952 40.800 -0.011 0.000 0.926 70 D HN 0.489 nan 8.370 nan 0.000 0.520 71 K N 2.257 122.650 120.400 -0.012 0.000 2.253 71 K HA 0.218 4.537 4.320 -0.000 0.000 0.277 71 K C -2.472 174.125 176.600 -0.006 0.000 1.053 71 K CA -1.901 54.386 56.287 -0.001 0.000 0.892 71 K CB 1.112 33.624 32.500 0.019 0.000 1.102 71 K HN -0.162 nan 8.250 nan 0.000 0.469 72 P HA -0.118 nan 4.420 nan 0.000 0.265 72 P C -0.157 177.222 177.300 0.133 0.000 1.187 72 P CA 0.254 63.318 63.100 -0.061 0.000 0.766 72 P CB 0.563 32.203 31.700 -0.099 0.000 0.820 73 L N 4.203 125.545 121.223 0.199 0.000 2.461 73 L HA 0.144 4.483 4.340 -0.000 0.000 0.259 73 L C -1.719 175.355 176.870 0.340 0.000 1.248 73 L CA -1.502 53.496 54.840 0.263 0.000 0.823 73 L CB -0.829 41.375 42.059 0.242 0.000 1.111 73 L HN 0.315 nan 8.230 nan 0.000 0.516 74 P HA 0.528 nan 4.420 nan 0.000 0.284 74 P C -1.357 175.928 177.300 -0.025 0.000 1.258 74 P CA -0.472 62.673 63.100 0.075 0.000 0.824 74 P CB 1.297 33.025 31.700 0.047 0.000 1.038 75 L N 1.205 122.373 121.223 -0.092 0.000 2.472 75 L HA 0.344 4.684 4.340 -0.000 0.000 0.260 75 L C -0.393 176.457 176.870 -0.033 0.000 0.963 75 L CA -0.561 54.189 54.840 -0.151 0.000 0.829 75 L CB 1.357 43.189 42.059 -0.378 0.000 1.348 75 L HN 0.256 nan 8.230 nan 0.000 0.408 76 L N 1.638 122.886 121.223 0.041 0.000 2.628 76 L HA -0.096 4.244 4.340 -0.000 0.000 0.292 76 L C 1.473 178.357 176.870 0.023 0.000 1.250 76 L CA 0.279 55.156 54.840 0.062 0.000 0.892 76 L CB 0.191 42.318 42.059 0.114 0.000 1.138 76 L HN 0.855 nan 8.230 nan 0.000 0.502 77 S N 0.890 116.570 115.700 -0.034 0.000 2.413 77 S HA -0.242 4.228 4.470 -0.000 0.000 0.237 77 S C 1.829 176.346 174.600 -0.139 0.000 1.044 77 S CA 1.811 59.971 58.200 -0.067 0.000 1.024 77 S CB -0.254 62.909 63.200 -0.061 0.000 0.829 77 S HN 0.856 nan 8.310 nan 0.000 0.475 78 S N 0.559 116.100 115.700 -0.264 0.000 2.419 78 S HA 0.057 4.527 4.470 -0.000 0.000 0.233 78 S C 0.407 174.632 174.600 -0.625 0.000 1.016 78 S CA 0.713 58.601 58.200 -0.520 0.000 0.974 78 S CB -0.303 62.411 63.200 -0.811 0.000 0.786 78 S HN 0.474 nan 8.310 nan 0.000 0.492 79 F N 1.674 121.559 119.950 -0.110 0.000 2.538 79 F HA 0.556 5.083 4.527 -0.000 0.000 0.325 79 F C 0.137 175.841 175.800 -0.161 0.000 1.066 79 F CA -1.304 56.612 58.000 -0.139 0.000 0.946 79 F CB 1.354 40.238 39.000 -0.194 0.000 1.199 79 F HN 0.009 nan 8.300 nan 0.000 0.473 80 E N 0.605 120.853 120.200 0.079 0.000 2.272 80 E HA 0.345 4.694 4.350 -0.000 0.000 0.269 80 E C -1.634 174.980 176.600 0.023 0.000 0.877 80 E CA -0.957 55.453 56.400 0.018 0.000 0.755 80 E CB 1.434 31.168 29.700 0.056 0.000 1.192 80 E HN 0.606 nan 8.360 nan 0.000 0.422 81 W N 1.804 123.133 121.300 0.048 0.000 2.042 81 W HA 0.293 4.953 4.660 -0.000 0.000 0.358 81 W C 0.319 176.860 176.519 0.037 0.000 1.325 81 W CA -0.098 57.263 57.345 0.027 0.000 1.311 81 W CB 0.872 30.337 29.460 0.008 0.000 1.210 81 W HN 0.553 nan 8.180 nan 0.000 0.620 82 C N 0.776 120.310 119.300 0.389 0.000 3.239 82 C HA 0.693 5.153 4.460 -0.000 0.000 0.317 82 C C -0.904 174.202 174.990 0.194 0.000 1.310 82 C CA -0.532 58.624 59.018 0.230 0.000 1.371 82 C CB 0.895 28.751 27.740 0.194 0.000 1.714 82 C HN 0.489 nan 8.230 nan 0.000 0.473 83 S N 3.544 119.331 115.700 0.146 0.000 2.532 83 S HA 0.692 5.162 4.470 -0.000 0.000 0.299 83 S C -1.009 173.689 174.600 0.163 0.000 1.105 83 S CA -0.449 57.833 58.200 0.136 0.000 1.018 83 S CB 1.154 64.400 63.200 0.076 0.000 1.021 83 S HN 0.603 nan 8.310 nan 0.000 0.483 84 I N 2.930 123.640 120.570 0.233 0.000 2.312 84 I HA 0.276 4.445 4.170 -0.000 0.000 0.290 84 I C -0.082 176.163 176.117 0.214 0.000 1.008 84 I CA -0.577 60.842 61.300 0.198 0.000 1.226 84 I CB 1.119 39.242 38.000 0.205 0.000 1.371 84 I HN 0.597 nan 8.210 nan 0.000 0.468 85 D N 5.905 126.394 120.400 0.148 0.000 2.339 85 D HA 0.209 4.849 4.640 -0.000 0.000 0.241 85 D C 1.109 177.454 176.300 0.076 0.000 1.183 85 D CA -0.372 53.735 54.000 0.179 0.000 0.859 85 D CB 1.431 42.314 40.800 0.139 0.000 1.067 85 D HN 0.303 nan 8.370 nan 0.000 0.484 86 V N 3.114 123.043 119.914 0.025 0.000 2.469 86 V HA -0.196 3.924 4.120 -0.000 0.000 0.251 86 V C 1.348 177.404 176.094 -0.062 0.000 1.064 86 V CA 1.508 63.724 62.300 -0.139 0.000 1.066 86 V CB -0.448 31.164 31.823 -0.351 0.000 0.667 86 V HN 0.551 nan 8.190 nan 0.000 0.461 87 D N 0.123 120.540 120.400 0.028 0.000 2.363 87 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 87 D C 0.877 177.196 176.300 0.033 0.000 1.020 87 D CA 0.332 54.358 54.000 0.044 0.000 0.892 87 D CB -0.442 40.423 40.800 0.109 0.000 0.900 87 D HN 0.652 nan 8.370 nan 0.000 0.531 88 N N 0.963 119.679 118.700 0.027 0.000 2.499 88 N HA -0.008 4.732 4.740 -0.000 0.000 0.281 88 N C 1.005 176.510 175.510 -0.008 0.000 1.098 88 N CA -0.543 52.516 53.050 0.016 0.000 0.979 88 N CB 0.782 39.282 38.487 0.022 0.000 1.121 88 N HN -0.341 nan 8.380 nan 0.000 0.466 89 K N 2.024 122.419 120.400 -0.009 0.000 2.305 89 K HA -0.049 4.270 4.320 -0.000 0.000 0.199 89 K C 1.244 177.828 176.600 -0.027 0.000 1.047 89 K CA 0.743 57.017 56.287 -0.021 0.000 0.976 89 K CB 0.027 32.516 32.500 -0.019 0.000 0.765 89 K HN 0.540 nan 8.250 nan 0.000 0.474 90 K N 1.210 121.600 120.400 -0.017 0.000 2.393 90 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 90 K C 1.325 177.914 176.600 -0.019 0.000 1.026 90 K CA 0.440 56.718 56.287 -0.015 0.000 1.064 90 K CB 0.515 33.012 32.500 -0.005 0.000 0.833 90 K HN 0.139 nan 8.250 nan 0.000 0.521 91 Q N 0.161 119.945 119.800 -0.027 0.000 2.165 91 Q HA 0.074 4.414 4.340 -0.000 0.000 0.197 91 Q C 2.067 178.005 176.000 -0.103 0.000 0.952 91 Q CA 0.322 56.100 55.803 -0.042 0.000 0.848 91 Q CB 0.246 28.973 28.738 -0.018 0.000 0.931 91 Q HN 0.215 nan 8.270 nan 0.000 0.470 92 L N 1.127 122.286 121.223 -0.107 0.000 2.017 92 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 92 L C 2.427 179.235 176.870 -0.103 0.000 1.073 92 L CA 1.715 56.457 54.840 -0.164 0.000 0.745 92 L CB -0.251 41.750 42.059 -0.097 0.000 0.894 92 L HN 0.273 nan 8.230 nan 0.000 0.432 93 E N 0.626 120.799 120.200 -0.044 0.000 2.086 93 E HA -0.293 4.057 4.350 -0.000 0.000 0.200 93 E C 1.672 178.303 176.600 0.052 0.000 1.012 93 E CA 2.214 58.621 56.400 0.011 0.000 0.812 93 E CB -0.247 29.442 29.700 -0.018 0.000 0.743 93 E HN 0.467 nan 8.360 nan 0.000 0.453 94 D N -0.369 120.021 120.400 -0.017 0.000 2.104 94 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 94 D C 2.078 178.327 176.300 -0.085 0.000 0.994 94 D CA 1.600 55.586 54.000 -0.024 0.000 0.830 94 D CB -0.371 40.409 40.800 -0.034 0.000 0.959 94 D HN 0.184 nan 8.370 nan 0.000 0.452 95 V N 1.137 120.906 119.914 -0.242 0.000 2.229 95 V HA -0.228 3.892 4.120 -0.000 0.000 0.243 95 V C 2.243 178.155 176.094 -0.303 0.000 1.042 95 V CA 1.582 63.578 62.300 -0.507 0.000 1.000 95 V CB -0.824 30.382 31.823 -1.028 0.000 0.637 95 V HN 0.103 nan 8.190 nan 0.000 0.446 96 F N 0.604 120.407 119.950 -0.246 0.000 2.135 96 F HA -0.280 4.247 4.527 -0.001 0.000 0.300 96 F C 2.070 177.917 175.800 0.078 0.000 1.074 96 F CA 2.156 60.256 58.000 0.167 0.000 1.262 96 F CB -0.353 38.754 39.000 0.179 0.000 1.013 96 F HN -0.029 nan 8.300 nan 0.000 0.489 97 V N 0.175 120.174 119.914 0.142 0.000 2.302 97 V HA -0.226 3.894 4.120 -0.000 0.000 0.243 97 V C 2.287 178.345 176.094 -0.061 0.000 1.036 97 V CA 1.524 63.858 62.300 0.056 0.000 1.020 97 V CB -0.699 31.232 31.823 0.179 0.000 0.657 97 V HN 0.467 nan 8.190 nan 0.000 0.453 98 L N -0.224 120.974 121.223 -0.041 0.000 2.010 98 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 98 L C 2.170 179.014 176.870 -0.044 0.000 1.077 98 L CA 2.300 57.126 54.840 -0.023 0.000 0.773 98 L CB -0.611 41.415 42.059 -0.056 0.000 0.892 98 L HN 0.194 nan 8.230 nan 0.000 0.436 99 L N -0.185 120.970 121.223 -0.112 0.000 2.072 99 L HA -0.135 4.204 4.340 -0.000 0.000 0.205 99 L C 2.400 179.265 176.870 -0.009 0.000 1.079 99 L CA 1.675 56.483 54.840 -0.055 0.000 0.752 99 L CB -1.294 40.646 42.059 -0.198 0.000 0.906 99 L HN 0.494 nan 8.230 nan 0.000 0.436 100 N N 0.387 118.967 118.700 -0.200 0.000 2.334 100 N HA -0.224 4.516 4.740 -0.000 0.000 0.187 100 N C 1.142 176.604 175.510 -0.079 0.000 1.016 100 N CA 1.519 54.425 53.050 -0.240 0.000 0.879 100 N CB 0.261 38.362 38.487 -0.644 0.000 0.965 100 N HN 0.565 nan 8.380 nan 0.000 0.438 101 E N -1.505 118.666 120.200 -0.049 0.000 2.514 101 E HA 0.171 4.521 4.350 -0.000 0.000 0.215 101 E C 0.118 176.691 176.600 -0.044 0.000 0.946 101 E CA -0.097 56.284 56.400 -0.033 0.000 1.038 101 E CB 0.475 30.160 29.700 -0.026 0.000 1.069 101 E HN 0.295 nan 8.360 nan 0.000 0.503 102 N N -0.259 118.438 118.700 -0.005 0.000 2.116 102 N HA 0.032 4.772 4.740 -0.000 0.000 0.230 102 N C -0.487 175.110 175.510 0.145 0.000 1.326 102 N CA -0.068 52.976 53.050 -0.011 0.000 0.867 102 N CB 0.812 39.237 38.487 -0.104 0.000 1.174 102 N HN 0.014 nan 8.380 nan 0.000 0.506 103 Y N 1.919 122.241 120.300 0.036 0.000 2.455 103 Y HA 0.260 4.810 4.550 -0.001 0.000 0.398 103 Y C 0.830 176.805 175.900 0.125 0.000 1.386 103 Y CA -0.691 57.472 58.100 0.105 0.000 1.816 103 Y CB 0.251 38.817 38.460 0.176 0.000 1.740 103 Y HN -0.312 nan 8.280 nan 0.000 0.612 104 V N 2.850 122.451 119.914 -0.523 0.000 2.540 104 V HA 0.055 4.175 4.120 -0.000 0.000 0.297 104 V C -0.197 175.952 176.094 0.093 0.000 1.024 104 V CA 0.134 62.259 62.300 -0.292 0.000 1.105 104 V CB -0.173 31.340 31.823 -0.517 0.000 0.938 104 V HN 0.604 nan 8.190 nan 0.000 0.482 105 E N 2.624 122.839 120.200 0.025 0.000 2.316 105 E HA 0.364 4.714 4.350 -0.000 0.000 0.258 105 E C -0.739 175.846 176.600 -0.025 0.000 0.952 105 E CA -0.885 55.494 56.400 -0.036 0.000 0.818 105 E CB 1.345 31.005 29.700 -0.068 0.000 1.260 105 E HN 0.873 nan 8.360 nan 0.000 0.416 106 D N 0.184 120.528 120.400 -0.094 0.000 2.377 106 D HA -0.012 4.628 4.640 -0.000 0.000 0.245 106 D C 0.780 177.077 176.300 -0.005 0.000 1.196 106 D CA -0.339 53.650 54.000 -0.018 0.000 0.962 106 D CB 0.944 41.748 40.800 0.007 0.000 1.127 106 D HN 0.502 nan 8.370 nan 0.000 0.471 107 R N -0.372 120.136 120.500 0.012 0.000 2.303 107 R HA -0.118 4.221 4.340 -0.000 0.000 0.225 107 R C 0.248 176.546 176.300 -0.003 0.000 1.114 107 R CA 1.539 57.648 56.100 0.014 0.000 1.007 107 R CB -0.231 30.084 30.300 0.026 0.000 0.861 107 R HN 0.350 nan 8.270 nan 0.000 0.471 108 D N 0.023 120.413 120.400 -0.017 0.000 2.469 108 D HA 0.197 4.837 4.640 -0.000 0.000 0.213 108 D C -0.289 175.969 176.300 -0.070 0.000 1.135 108 D CA 0.557 54.536 54.000 -0.036 0.000 0.834 108 D CB 1.003 41.782 40.800 -0.036 0.000 1.009 108 D HN 0.330 nan 8.370 nan 0.000 0.507 109 A N 0.929 123.702 122.820 -0.078 0.000 2.237 109 A HA -0.015 4.304 4.320 -0.000 0.000 0.281 109 A C 1.163 178.629 177.584 -0.196 0.000 1.414 109 A CA 0.937 52.903 52.037 -0.118 0.000 0.733 109 A CB -1.688 17.259 19.000 -0.088 0.000 1.168 109 A HN 0.449 nan 8.150 nan 0.000 0.347 110 G N -0.867 107.749 108.800 -0.307 0.000 3.155 110 G HA2 0.519 4.479 3.960 -0.000 0.000 0.193 110 G HA3 0.519 4.479 3.960 -0.000 0.000 0.193 110 G C -0.125 174.246 174.900 -0.881 0.000 1.215 110 G CA 0.313 45.077 45.100 -0.561 0.000 0.917 110 G HN 0.783 nan 8.290 nan 0.000 0.756 111 F N 0.141 119.875 119.950 -0.360 0.000 2.578 111 F HA 0.746 5.273 4.527 -0.000 0.000 0.311 111 F C 0.030 175.381 175.800 -0.748 0.000 1.094 111 F CA -1.051 56.568 58.000 -0.635 0.000 0.923 111 F CB 2.437 40.790 39.000 -1.078 0.000 1.230 111 F HN -0.103 nan 8.300 nan 0.000 0.450 112 R N 1.486 121.722 120.500 -0.440 0.000 2.795 112 R HA 0.595 4.935 4.340 -0.000 0.000 0.275 112 R C -1.541 174.692 176.300 -0.112 0.000 0.981 112 R CA -0.840 55.105 56.100 -0.258 0.000 0.917 112 R CB 1.455 31.718 30.300 -0.062 0.000 1.202 112 R HN 0.541 nan 8.270 nan 0.000 0.469 113 F N 1.854 121.861 119.950 0.095 0.000 2.538 113 F HA 0.063 4.590 4.527 -0.001 0.000 0.371 113 F C 1.057 176.889 175.800 0.055 0.000 1.087 113 F CA 0.812 58.927 58.000 0.191 0.000 1.250 113 F CB 0.544 39.666 39.000 0.204 0.000 1.110 113 F HN 0.442 nan 8.300 nan 0.000 0.570 114 N N 4.376 123.131 118.700 0.092 0.000 2.936 114 N HA 0.148 4.888 4.740 -0.000 0.000 0.243 114 N C -1.447 173.981 175.510 -0.138 0.000 1.149 114 N CA -0.459 52.594 53.050 0.005 0.000 0.914 114 N CB 0.212 38.725 38.487 0.044 0.000 1.179 114 N HN 0.492 nan 8.380 nan 0.000 0.502 115 Y N 1.794 121.986 120.300 -0.181 0.000 2.531 115 Y HA 0.037 4.587 4.550 -0.001 0.000 0.347 115 Y C 1.429 177.081 175.900 -0.413 0.000 1.024 115 Y CA -0.329 57.462 58.100 -0.516 0.000 1.306 115 Y CB 0.611 38.506 38.460 -0.942 0.000 1.149 115 Y HN 0.315 nan 8.280 nan 0.000 0.527 116 T N -0.314 114.246 114.554 0.010 0.000 2.828 116 T HA 0.188 4.537 4.350 -0.000 0.000 0.290 116 T C 1.134 175.958 174.700 0.208 0.000 1.019 116 T CA -0.888 61.353 62.100 0.234 0.000 1.031 116 T CB 1.138 70.129 68.868 0.205 0.000 1.001 116 T HN 0.653 nan 8.240 nan 0.000 0.531 117 K N 0.715 121.288 120.400 0.289 0.000 2.044 117 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 117 K C 2.225 178.957 176.600 0.220 0.000 1.049 117 K CA 1.841 58.302 56.287 0.290 0.000 0.927 117 K CB -0.255 32.278 32.500 0.056 0.000 0.713 117 K HN 0.615 nan 8.250 nan 0.000 0.443 118 E N 0.767 121.051 120.200 0.140 0.000 2.021 118 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 118 E C 1.715 178.411 176.600 0.160 0.000 1.015 118 E CA 1.407 57.871 56.400 0.108 0.000 0.824 118 E CB -0.638 29.101 29.700 0.065 0.000 0.762 118 E HN 0.260 nan 8.360 nan 0.000 0.454 119 F N -0.004 119.980 119.950 0.057 0.000 2.115 119 F HA -0.283 4.244 4.527 -0.000 0.000 0.300 119 F C 1.986 177.877 175.800 0.150 0.000 1.092 119 F CA 1.566 59.630 58.000 0.107 0.000 1.245 119 F CB -0.247 38.787 39.000 0.056 0.000 0.995 119 F HN 0.014 nan 8.300 nan 0.000 0.481 120 F N -0.091 120.056 119.950 0.328 0.000 2.134 120 F HA -0.252 4.275 4.527 -0.001 0.000 0.299 120 F C 2.196 177.983 175.800 -0.022 0.000 1.097 120 F CA 1.306 59.335 58.000 0.049 0.000 1.264 120 F CB -0.718 38.206 39.000 -0.128 0.000 1.001 120 F HN -0.050 nan 8.300 nan 0.000 0.479 121 N N -1.025 117.791 118.700 0.195 0.000 2.443 121 N HA -0.213 4.527 4.740 -0.000 0.000 0.184 121 N C 1.288 176.867 175.510 0.115 0.000 1.037 121 N CA 0.998 54.091 53.050 0.072 0.000 0.896 121 N CB -0.207 38.318 38.487 0.064 0.000 0.959 121 N HN 0.409 nan 8.380 nan 0.000 0.442 122 W N 0.388 121.642 121.300 -0.077 0.000 2.633 122 W HA 0.337 4.997 4.660 -0.001 0.000 0.295 122 W C 2.070 178.574 176.519 -0.026 0.000 1.133 122 W CA 1.014 58.293 57.345 -0.109 0.000 1.490 122 W CB -0.785 28.463 29.460 -0.352 0.000 1.127 122 W HN -0.040 nan 8.180 nan 0.000 0.538 123 A N 0.262 123.023 122.820 -0.097 0.000 2.014 123 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 123 A C 1.853 179.453 177.584 0.027 0.000 1.163 123 A CA 1.366 53.300 52.037 -0.171 0.000 0.652 123 A CB -0.746 18.334 19.000 0.134 0.000 0.808 123 A HN 0.366 nan 8.150 nan 0.000 0.449 124 L N -1.509 119.715 121.223 0.003 0.000 2.607 124 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 124 L C 0.600 177.264 176.870 -0.344 0.000 1.123 124 L CA 0.319 55.114 54.840 -0.076 0.000 0.890 124 L CB 0.205 42.086 42.059 -0.297 0.000 1.103 124 L HN 0.203 nan 8.230 nan 0.000 0.468 125 K N -0.074 120.070 120.400 -0.427 0.000 2.934 125 K HA 0.194 4.513 4.320 -0.000 0.000 0.210 125 K C 0.431 176.756 176.600 -0.458 0.000 1.122 125 K CA -0.158 55.553 56.287 -0.959 0.000 1.033 125 K CB 0.949 32.891 32.500 -0.929 0.000 0.779 125 K HN 0.100 nan 8.250 nan 0.000 0.459 126 S N 1.030 116.643 115.700 -0.145 0.000 2.587 126 S HA 0.205 4.674 4.470 -0.000 0.000 0.260 126 S C -2.461 172.139 174.600 0.000 0.000 1.353 126 S CA -1.024 57.052 58.200 -0.207 0.000 0.995 126 S CB 0.012 63.276 63.200 0.105 0.000 0.912 126 S HN -0.061 nan 8.310 nan 0.000 0.568 127 P HA 0.294 nan 4.420 nan 0.000 0.266 127 P C 0.999 178.366 177.300 0.111 0.000 1.195 127 P CA 1.193 64.331 63.100 0.064 0.000 0.768 127 P CB 0.215 31.940 31.700 0.042 0.000 0.838 128 G N 1.249 110.082 108.800 0.055 0.000 2.195 128 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.246 128 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.246 128 G C 0.061 174.945 174.900 -0.027 0.000 0.984 128 G CA -0.182 44.909 45.100 -0.014 0.000 0.633 128 G HN 0.649 nan 8.290 nan 0.000 0.525 129 W N 0.700 121.963 121.300 -0.062 0.000 2.137 129 W HA 0.669 5.329 4.660 -0.001 0.000 0.344 129 W C -0.113 176.287 176.519 -0.199 0.000 1.286 129 W CA 0.085 57.395 57.345 -0.058 0.000 1.240 129 W CB 0.185 29.680 29.460 0.058 0.000 1.141 129 W HN 0.931 nan 8.180 nan 0.000 0.579 130 K N 0.603 120.862 120.400 -0.234 0.000 2.469 130 K HA 0.571 4.890 4.320 -0.000 0.000 0.254 130 K C 0.578 176.995 176.600 -0.304 0.000 0.939 130 K CA -0.112 55.817 56.287 -0.597 0.000 0.812 130 K CB 1.093 32.971 32.500 -1.037 0.000 1.301 130 K HN 0.729 nan 8.250 nan 0.000 0.433 131 K N 0.191 120.480 120.400 -0.185 0.000 2.288 131 K HA -0.039 4.281 4.320 -0.000 0.000 0.201 131 K C 1.176 177.755 176.600 -0.035 0.000 1.048 131 K CA 1.734 58.090 56.287 0.115 0.000 0.956 131 K CB -0.267 32.312 32.500 0.132 0.000 0.746 131 K HN 0.718 nan 8.250 nan 0.000 0.461 132 D N -1.214 119.057 120.400 -0.215 0.000 2.371 132 D HA -0.043 4.597 4.640 -0.000 0.000 0.221 132 D C 0.397 176.731 176.300 0.057 0.000 0.986 132 D CA 0.310 54.219 54.000 -0.152 0.000 0.899 132 D CB 0.074 40.712 40.800 -0.269 0.000 0.902 132 D HN 0.695 nan 8.370 nan 0.000 0.530 133 W N 0.206 121.333 121.300 -0.289 0.000 2.991 133 W HA 0.145 4.805 4.660 -0.001 0.000 0.391 133 W C 0.159 176.481 176.519 -0.327 0.000 1.054 133 W CA -0.394 56.757 57.345 -0.324 0.000 1.856 133 W CB -0.389 28.883 29.460 -0.314 0.000 1.132 133 W HN -0.003 nan 8.180 nan 0.000 0.601 134 H N 0.956 120.099 119.070 0.121 0.000 2.410 134 H HA 0.343 4.898 4.556 -0.000 0.000 0.232 134 H C 0.117 175.422 175.328 -0.039 0.000 1.535 134 H CA -0.505 55.559 56.048 0.027 0.000 1.310 134 H CB -0.207 29.704 29.762 0.248 0.000 1.518 134 H HN -0.106 nan 8.280 nan 0.000 0.545 135 I N 1.284 121.749 120.570 -0.174 0.000 2.416 135 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 135 I C 1.203 177.329 176.117 0.016 0.000 1.051 135 I CA -0.094 61.153 61.300 -0.087 0.000 1.375 135 I CB 1.225 39.113 38.000 -0.188 0.000 1.407 135 I HN 0.371 nan 8.210 nan 0.000 0.516 136 G N 4.718 113.672 108.800 0.257 0.000 2.644 136 G HA2 0.688 4.648 3.960 -0.000 0.000 0.307 136 G HA3 0.688 4.648 3.960 -0.000 0.000 0.307 136 G C -1.138 173.944 174.900 0.303 0.000 1.250 136 G CA -0.446 44.858 45.100 0.340 0.000 0.996 136 G HN 0.344 nan 8.290 nan 0.000 0.489 137 V N 1.027 121.046 119.914 0.175 0.000 2.629 137 V HA 0.312 4.431 4.120 -0.000 0.000 0.263 137 V C 0.003 176.113 176.094 0.026 0.000 0.959 137 V CA -0.657 61.658 62.300 0.025 0.000 0.869 137 V CB 0.744 32.452 31.823 -0.191 0.000 1.060 137 V HN 0.694 nan 8.190 nan 0.000 0.474 138 R N 1.492 122.047 120.500 0.091 0.000 2.490 138 R HA 0.547 4.886 4.340 -0.000 0.000 0.278 138 R C -0.141 176.278 176.300 0.199 0.000 1.069 138 R CA -0.440 55.730 56.100 0.116 0.000 1.080 138 R CB 2.105 32.461 30.300 0.093 0.000 1.030 138 R HN 0.444 nan 8.270 nan 0.000 0.491 139 V N 3.486 123.537 119.914 0.227 0.000 2.555 139 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 139 V C 1.330 177.436 176.094 0.021 0.000 1.044 139 V CA 0.742 63.155 62.300 0.188 0.000 1.026 139 V CB 0.858 32.711 31.823 0.051 0.000 0.981 139 V HN 0.977 nan 8.190 nan 0.000 0.480 140 K N 4.039 124.411 120.400 -0.046 0.000 2.009 140 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 140 K C 1.913 178.484 176.600 -0.049 0.000 1.049 140 K CA 2.152 58.415 56.287 -0.039 0.000 0.929 140 K CB -1.022 31.445 32.500 -0.055 0.000 0.714 140 K HN 0.939 nan 8.250 nan 0.000 0.440 141 E N -0.686 119.463 120.200 -0.086 0.000 2.070 141 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 141 E C 2.082 178.655 176.600 -0.045 0.000 1.004 141 E CA 2.037 58.396 56.400 -0.069 0.000 0.805 141 E CB -0.059 29.587 29.700 -0.090 0.000 0.744 141 E HN 0.624 nan 8.360 nan 0.000 0.451 142 T N -2.258 112.271 114.554 -0.042 0.000 2.990 142 T HA 0.018 4.367 4.350 -0.000 0.000 0.250 142 T C 0.391 175.088 174.700 -0.006 0.000 1.041 142 T CA 0.500 62.586 62.100 -0.023 0.000 1.010 142 T CB 0.274 69.125 68.868 -0.027 0.000 1.003 142 T HN 0.158 nan 8.240 nan 0.000 0.499 143 Q N -0.070 119.732 119.800 0.004 0.000 2.342 143 Q HA -0.129 4.210 4.340 -0.000 0.000 0.196 143 Q C -0.004 176.015 176.000 0.032 0.000 0.629 143 Q CA 0.770 56.587 55.803 0.025 0.000 1.365 143 Q CB -1.812 26.938 28.738 0.020 0.000 1.406 143 Q HN 0.597 nan 8.270 nan 0.000 0.840 144 K N 1.397 121.810 120.400 0.021 0.000 2.412 144 K HA 0.157 4.477 4.320 -0.000 0.000 0.284 144 K C 0.183 176.805 176.600 0.037 0.000 1.046 144 K CA -0.208 56.089 56.287 0.018 0.000 0.999 144 K CB 0.200 32.692 32.500 -0.014 0.000 0.941 144 K HN 0.070 nan 8.250 nan 0.000 0.474 145 L N 5.580 126.827 121.223 0.041 0.000 2.513 145 L HA -0.020 4.319 4.340 -0.000 0.000 0.272 145 L C 0.251 177.158 176.870 0.061 0.000 1.187 145 L CA 0.716 55.590 54.840 0.055 0.000 0.895 145 L CB 1.096 43.178 42.059 0.038 0.000 1.147 145 L HN 0.543 nan 8.230 nan 0.000 0.483 146 V N 4.583 124.532 119.914 0.059 0.000 3.337 146 V HA 0.703 4.823 4.120 -0.000 0.000 0.307 146 V C -0.033 176.096 176.094 0.058 0.000 1.505 146 V CA 0.614 62.950 62.300 0.061 0.000 1.072 146 V CB 0.315 32.142 31.823 0.008 0.000 0.929 146 V HN 1.006 nan 8.190 nan 0.000 0.455 147 A N 0.137 122.998 122.820 0.070 0.000 2.594 147 A HA 0.740 5.059 4.320 -0.000 0.000 0.296 147 A C -1.919 175.799 177.584 0.224 0.000 1.056 147 A CA -0.315 51.777 52.037 0.092 0.000 0.693 147 A CB 1.569 20.547 19.000 -0.037 0.000 1.278 147 A HN 0.324 nan 8.150 nan 0.000 0.408 148 F N 1.038 121.007 119.950 0.031 0.000 2.631 148 F HA 0.851 5.378 4.527 -0.000 0.000 0.308 148 F C -1.531 174.308 175.800 0.064 0.000 1.097 148 F CA -0.859 57.164 58.000 0.039 0.000 0.952 148 F CB 1.874 40.862 39.000 -0.020 0.000 1.307 148 F HN 0.805 nan 8.300 nan 0.000 0.450 149 I N 2.780 122.998 120.570 -0.587 0.000 2.787 149 I HA 0.680 4.850 4.170 -0.000 0.000 0.294 149 I C -1.788 173.929 176.117 -0.667 0.000 1.365 149 I CA 0.008 61.084 61.300 -0.375 0.000 1.029 149 I CB 2.051 39.929 38.000 -0.203 0.000 1.313 149 I HN 0.516 nan 8.210 nan 0.000 0.431 150 S N 4.874 120.392 115.700 -0.302 0.000 2.569 150 S HA 0.994 5.464 4.470 -0.000 0.000 0.280 150 S C -1.571 172.997 174.600 -0.053 0.000 1.111 150 S CA 0.053 58.164 58.200 -0.149 0.000 0.887 150 S CB 1.628 64.925 63.200 0.161 0.000 1.095 150 S HN 1.325 nan 8.310 nan 0.000 0.476 151 A N 2.580 125.394 122.820 -0.011 0.000 2.408 151 A HA 0.733 5.053 4.320 -0.000 0.000 0.295 151 A C -1.184 176.491 177.584 0.151 0.000 1.040 151 A CA -0.638 51.355 52.037 -0.073 0.000 0.707 151 A CB 0.611 19.348 19.000 -0.439 0.000 1.235 151 A HN 1.036 nan 8.150 nan 0.000 0.418 152 I N 0.523 121.193 120.570 0.166 0.000 2.646 152 I HA 0.781 4.951 4.170 -0.000 0.000 0.299 152 I C -2.725 173.511 176.117 0.199 0.000 1.036 152 I CA -2.761 58.707 61.300 0.280 0.000 1.074 152 I CB 1.831 39.975 38.000 0.240 0.000 1.258 152 I HN 0.331 nan 8.210 nan 0.000 0.430 153 P HA 0.393 nan 4.420 nan 0.000 0.278 153 P C -0.886 176.473 177.300 0.097 0.000 1.238 153 P CA -0.131 63.082 63.100 0.189 0.000 0.794 153 P CB 1.721 33.586 31.700 0.275 0.000 0.955 154 V N -0.999 118.949 119.914 0.057 0.000 3.188 154 V HA 0.683 4.803 4.120 -0.000 0.000 0.305 154 V C -0.792 175.314 176.094 0.019 0.000 1.232 154 V CA -0.731 61.574 62.300 0.007 0.000 1.043 154 V CB 1.759 33.568 31.823 -0.024 0.000 1.068 154 V HN 0.443 nan 8.190 nan 0.000 0.439 155 T N 4.026 118.575 114.554 -0.008 0.000 2.833 155 T HA 0.676 5.026 4.350 -0.000 0.000 0.297 155 T C -0.473 174.231 174.700 0.007 0.000 1.015 155 T CA -0.258 61.856 62.100 0.024 0.000 0.963 155 T CB 0.873 69.767 68.868 0.043 0.000 0.955 155 T HN 0.579 nan 8.240 nan 0.000 0.449 156 L N 2.128 123.361 121.223 0.016 0.000 2.479 156 L HA 0.653 4.993 4.340 -0.000 0.000 0.248 156 L C 1.264 178.135 176.870 0.001 0.000 1.205 156 L CA 0.045 54.885 54.840 0.001 0.000 0.817 156 L CB 0.237 42.275 42.059 -0.034 0.000 1.162 156 L HN 0.819 nan 8.230 nan 0.000 0.486 157 G N 0.022 108.823 108.800 0.001 0.000 4.332 157 G HA2 0.453 4.413 3.960 -0.000 0.000 0.321 157 G HA3 0.453 4.413 3.960 -0.000 0.000 0.321 157 G C -1.092 173.802 174.900 -0.010 0.000 1.439 157 G CA -0.219 44.888 45.100 0.012 0.000 0.900 157 G HN 0.275 nan 8.290 nan 0.000 0.515 158 V N 3.008 122.877 119.914 -0.075 0.000 2.381 158 V HA 0.207 4.327 4.120 -0.000 0.000 0.257 158 V C 0.984 177.076 176.094 -0.005 0.000 1.057 158 V CA -0.532 61.714 62.300 -0.089 0.000 1.013 158 V CB -0.181 31.474 31.823 -0.279 0.000 1.069 158 V HN 0.797 nan 8.190 nan 0.000 0.484 159 R N 3.779 124.291 120.500 0.020 0.000 3.422 159 R HA -0.218 4.122 4.340 -0.000 0.000 0.267 159 R C 1.265 177.582 176.300 0.028 0.000 1.074 159 R CA 0.787 56.907 56.100 0.033 0.000 0.718 159 R CB -2.053 28.274 30.300 0.045 0.000 1.157 159 R HN 1.545 nan 8.270 nan 0.000 0.440 160 G N -0.467 108.348 108.800 0.025 0.000 2.212 160 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.266 160 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.266 160 G C 0.160 175.075 174.900 0.025 0.000 0.978 160 G CA 0.889 46.002 45.100 0.021 0.000 0.632 160 G HN 0.391 nan 8.290 nan 0.000 0.537 161 K N 1.086 121.504 120.400 0.031 0.000 2.262 161 K HA 0.356 4.676 4.320 -0.000 0.000 0.288 161 K C 0.626 177.247 176.600 0.035 0.000 1.090 161 K CA -0.421 55.893 56.287 0.045 0.000 0.918 161 K CB 0.748 33.297 32.500 0.082 0.000 1.139 161 K HN 0.335 nan 8.250 nan 0.000 0.462 162 Q N 1.796 121.621 119.800 0.043 0.000 2.368 162 Q HA -0.059 4.281 4.340 -0.000 0.000 0.331 162 Q C -0.932 175.103 176.000 0.058 0.000 1.086 162 Q CA 0.722 56.554 55.803 0.048 0.000 1.031 162 Q CB 0.444 29.217 28.738 0.060 0.000 1.125 162 Q HN 0.324 nan 8.270 nan 0.000 0.389 163 V N 7.434 127.376 119.914 0.047 0.000 2.568 163 V HA 0.298 4.418 4.120 -0.000 0.000 0.276 163 V C -2.354 173.822 176.094 0.136 0.000 1.002 163 V CA -1.443 60.903 62.300 0.076 0.000 0.879 163 V CB 1.614 33.391 31.823 -0.078 0.000 1.040 163 V HN 0.850 nan 8.190 nan 0.000 0.457 164 P HA 0.178 nan 4.420 nan 0.000 0.264 164 P C -0.174 177.254 177.300 0.213 0.000 1.236 164 P CA 0.685 63.891 63.100 0.178 0.000 0.811 164 P CB 0.836 32.642 31.700 0.176 0.000 0.840 165 S N 2.487 118.274 115.700 0.146 0.000 2.851 165 S HA 0.653 5.122 4.470 -0.000 0.000 0.317 165 S C -0.396 174.229 174.600 0.042 0.000 1.144 165 S CA -0.835 57.442 58.200 0.128 0.000 0.862 165 S CB 1.628 64.926 63.200 0.163 0.000 1.259 165 S HN 0.336 nan 8.310 nan 0.000 0.564 166 V N 0.362 120.271 119.914 -0.008 0.000 2.914 166 V HA 0.599 4.719 4.120 -0.000 0.000 0.314 166 V C -1.367 174.715 176.094 -0.020 0.000 1.084 166 V CA -0.725 61.528 62.300 -0.078 0.000 0.963 166 V CB 1.934 33.565 31.823 -0.320 0.000 1.025 166 V HN 0.948 nan 8.190 nan 0.000 0.432 167 E N 4.433 124.631 120.200 -0.004 0.000 2.158 167 E HA 0.476 4.826 4.350 -0.000 0.000 0.271 167 E C -1.367 175.237 176.600 0.006 0.000 0.911 167 E CA -0.685 55.738 56.400 0.039 0.000 0.767 167 E CB 1.342 31.077 29.700 0.059 0.000 1.120 167 E HN 0.523 nan 8.360 nan 0.000 0.405 168 I N 3.573 124.159 120.570 0.026 0.000 2.392 168 I HA 0.472 4.641 4.170 -0.000 0.000 0.295 168 I C -0.070 176.041 176.117 -0.009 0.000 0.985 168 I CA -0.640 60.648 61.300 -0.020 0.000 1.221 168 I CB 0.988 38.944 38.000 -0.074 0.000 1.366 168 I HN 0.611 nan 8.210 nan 0.000 0.467 169 N N 3.714 122.377 118.700 -0.061 0.000 3.265 169 N HA 0.401 5.141 4.740 -0.000 0.000 0.235 169 N C -0.739 174.701 175.510 -0.116 0.000 1.343 169 N CA -0.424 52.506 53.050 -0.200 0.000 0.904 169 N CB 0.936 39.159 38.487 -0.440 0.000 1.492 169 N HN 0.497 nan 8.380 nan 0.000 0.504 170 F N -1.416 118.602 119.950 0.113 0.000 2.796 170 F HA -0.220 4.306 4.527 -0.000 0.000 0.285 170 F C -0.181 175.748 175.800 0.215 0.000 0.742 170 F CA -0.194 57.870 58.000 0.107 0.000 1.460 170 F CB -1.069 38.024 39.000 0.154 0.000 1.656 170 F HN 0.410 nan 8.300 nan 0.000 0.390 171 L N 2.158 123.570 121.223 0.316 0.000 2.418 171 L HA 0.519 4.858 4.340 -0.000 0.000 0.274 171 L C -0.062 177.023 176.870 0.358 0.000 1.135 171 L CA -0.292 54.690 54.840 0.237 0.000 0.870 171 L CB 0.972 43.111 42.059 0.134 0.000 1.154 171 L HN 0.343 nan 8.230 nan 0.000 0.462 172 C N 5.701 125.187 119.300 0.310 0.000 2.811 172 C HA 0.756 5.216 4.460 -0.000 0.000 0.352 172 C C -0.957 174.149 174.990 0.195 0.000 1.098 172 C CA -0.547 58.659 59.018 0.314 0.000 1.295 172 C CB 0.946 28.915 27.740 0.381 0.000 1.758 172 C HN 0.717 nan 8.230 nan 0.000 0.488 173 V N 5.157 125.154 119.914 0.140 0.000 2.628 173 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 173 V C 0.148 176.303 176.094 0.103 0.000 1.045 173 V CA -0.442 61.913 62.300 0.092 0.000 0.905 173 V CB 1.627 33.473 31.823 0.038 0.000 0.997 173 V HN 1.005 nan 8.190 nan 0.000 0.436 174 H N 2.697 121.786 119.070 0.031 0.000 3.073 174 H HA -0.006 4.550 4.556 -0.001 0.000 0.340 174 H C 1.246 176.595 175.328 0.036 0.000 1.054 174 H CA 1.046 57.116 56.048 0.037 0.000 1.372 174 H CB 0.685 30.465 29.762 0.030 0.000 1.314 174 H HN 0.612 nan 8.280 nan 0.000 0.603 175 K N 2.157 122.339 120.400 -0.364 0.000 2.103 175 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 175 K C 1.621 178.253 176.600 0.052 0.000 1.048 175 K CA 1.919 58.127 56.287 -0.132 0.000 0.930 175 K CB 0.075 32.459 32.500 -0.195 0.000 0.716 175 K HN 0.708 nan 8.250 nan 0.000 0.444 176 Q N -0.165 119.794 119.800 0.267 0.000 2.444 176 Q HA 0.035 4.375 4.340 -0.000 0.000 0.206 176 Q C 0.436 176.540 176.000 0.174 0.000 0.948 176 Q CA 0.253 56.197 55.803 0.234 0.000 0.946 176 Q CB 0.462 29.367 28.738 0.277 0.000 1.027 176 Q HN 0.110 nan 8.270 nan 0.000 0.513 177 L N 0.495 121.818 121.223 0.167 0.000 2.959 177 L HA 0.221 4.561 4.340 -0.000 0.000 0.259 177 L C 0.026 176.924 176.870 0.046 0.000 1.185 177 L CA 0.205 55.099 54.840 0.091 0.000 0.998 177 L CB -0.031 42.062 42.059 0.057 0.000 1.337 177 L HN 0.106 nan 8.230 nan 0.000 0.555 178 R N -0.062 120.468 120.500 0.051 0.000 2.738 178 R HA 0.184 4.524 4.340 -0.000 0.000 0.268 178 R C 1.180 177.497 176.300 0.028 0.000 1.062 178 R CA 0.135 56.255 56.100 0.033 0.000 1.158 178 R CB 0.090 30.410 30.300 0.034 0.000 1.046 178 R HN 0.093 nan 8.270 nan 0.000 0.493 179 S N 0.135 115.849 115.700 0.024 0.000 3.011 179 S HA -0.126 4.343 4.470 -0.000 0.000 0.278 179 S C 0.697 175.306 174.600 0.015 0.000 1.300 179 S CA 1.619 59.835 58.200 0.026 0.000 1.248 179 S CB -0.581 62.639 63.200 0.034 0.000 1.517 179 S HN 0.544 nan 8.310 nan 0.000 0.685 180 K N 1.262 121.663 120.400 0.002 0.000 2.569 180 K HA 0.170 4.490 4.320 -0.000 0.000 0.193 180 K C 0.683 177.263 176.600 -0.034 0.000 1.026 180 K CA 0.054 56.337 56.287 -0.007 0.000 1.093 180 K CB -0.279 32.216 32.500 -0.008 0.000 0.849 180 K HN 0.601 nan 8.250 nan 0.000 0.509 181 R N 0.579 121.057 120.500 -0.037 0.000 3.251 181 R HA -0.188 4.152 4.340 -0.000 0.000 0.249 181 R C 0.775 177.002 176.300 -0.121 0.000 0.949 181 R CA 0.255 56.315 56.100 -0.067 0.000 0.645 181 R CB -2.028 28.248 30.300 -0.041 0.000 1.065 181 R HN 0.144 nan 8.270 nan 0.000 0.452 182 L N -0.744 120.398 121.223 -0.136 0.000 2.416 182 L HA 0.056 4.396 4.340 -0.000 0.000 0.216 182 L C 1.904 178.656 176.870 -0.197 0.000 1.098 182 L CA 1.610 56.339 54.840 -0.184 0.000 0.840 182 L CB 0.176 42.109 42.059 -0.210 0.000 0.981 182 L HN 0.224 nan 8.230 nan 0.000 0.462 183 T N 1.169 115.611 114.554 -0.186 0.000 2.622 183 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 183 T C -0.499 173.962 174.700 -0.398 0.000 1.047 183 T CA 2.174 64.145 62.100 -0.214 0.000 1.159 183 T CB -1.044 67.736 68.868 -0.146 0.000 0.863 183 T HN 0.241 nan 8.240 nan 0.000 0.422 184 P HA -0.057 nan 4.420 nan 0.000 0.220 184 P C 1.413 178.306 177.300 -0.679 0.000 1.144 184 P CA 0.608 62.966 63.100 -1.237 0.000 0.800 184 P CB -0.166 30.662 31.700 -1.454 0.000 0.772 185 V N -0.790 118.909 119.914 -0.358 0.000 2.255 185 V HA -0.212 3.907 4.120 -0.000 0.000 0.243 185 V C 2.359 178.442 176.094 -0.019 0.000 1.038 185 V CA 1.607 63.825 62.300 -0.136 0.000 1.008 185 V CB -1.275 30.492 31.823 -0.093 0.000 0.645 185 V HN 0.054 nan 8.190 nan 0.000 0.449 186 L N -0.551 120.662 121.223 -0.017 0.000 2.129 186 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 186 L C 2.276 179.066 176.870 -0.134 0.000 1.087 186 L CA 1.649 56.519 54.840 0.049 0.000 0.757 186 L CB -0.568 41.481 42.059 -0.017 0.000 0.896 186 L HN 0.302 nan 8.230 nan 0.000 0.434 187 I N -0.581 119.839 120.570 -0.250 0.000 2.206 187 I HA -0.230 3.940 4.170 -0.000 0.000 0.239 187 I C 2.487 178.439 176.117 -0.276 0.000 1.078 187 I CA 1.031 62.144 61.300 -0.311 0.000 1.367 187 I CB -0.245 37.521 38.000 -0.390 0.000 1.078 187 I HN 0.060 nan 8.210 nan 0.000 0.413 188 K N 0.519 120.782 120.400 -0.227 0.000 2.173 188 K HA -0.286 4.033 4.320 -0.000 0.000 0.207 188 K C 1.975 178.489 176.600 -0.143 0.000 1.046 188 K CA 1.859 58.071 56.287 -0.124 0.000 0.929 188 K CB -0.083 32.377 32.500 -0.067 0.000 0.720 188 K HN 0.187 nan 8.250 nan 0.000 0.453 189 E N 0.512 120.613 120.200 -0.165 0.000 2.086 189 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 189 E C 1.644 178.019 176.600 -0.375 0.000 0.975 189 E CA 0.646 56.878 56.400 -0.280 0.000 0.813 189 E CB -0.090 29.360 29.700 -0.418 0.000 0.768 189 E HN 0.204 nan 8.360 nan 0.000 0.457 190 I N 0.304 120.654 120.570 -0.367 0.000 2.439 190 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 190 I C 1.745 177.584 176.117 -0.464 0.000 1.139 190 I CA 1.346 62.391 61.300 -0.425 0.000 1.438 190 I CB -0.486 37.266 38.000 -0.413 0.000 1.085 190 I HN 0.071 nan 8.210 nan 0.000 0.427 191 T N 1.000 115.306 114.554 -0.413 0.000 2.708 191 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 191 T C 2.025 176.522 174.700 -0.337 0.000 1.037 191 T CA 1.650 63.498 62.100 -0.419 0.000 1.146 191 T CB -0.347 68.316 68.868 -0.341 0.000 0.865 191 T HN 0.373 nan 8.240 nan 0.000 0.435 192 R N 1.197 121.545 120.500 -0.253 0.000 2.094 192 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 192 R C 2.528 178.699 176.300 -0.216 0.000 1.137 192 R CA 1.617 57.599 56.100 -0.196 0.000 0.943 192 R CB -0.168 30.040 30.300 -0.153 0.000 0.850 192 R HN 0.346 nan 8.270 nan 0.000 0.433 193 R N -0.172 120.188 120.500 -0.232 0.000 2.083 193 R HA -0.101 4.238 4.340 -0.000 0.000 0.237 193 R C 2.356 178.608 176.300 -0.081 0.000 1.137 193 R CA 1.682 57.715 56.100 -0.112 0.000 0.951 193 R CB -0.431 29.843 30.300 -0.042 0.000 0.851 193 R HN 0.152 nan 8.270 nan 0.000 0.434 194 V N 1.811 121.494 119.914 -0.384 0.000 2.490 194 V HA -0.236 3.883 4.120 -0.000 0.000 0.250 194 V C 1.650 177.467 176.094 -0.462 0.000 1.061 194 V CA 1.787 63.789 62.300 -0.496 0.000 1.064 194 V CB -0.666 30.636 31.823 -0.869 0.000 0.670 194 V HN 0.425 nan 8.190 nan 0.000 0.461 195 N N -0.131 118.231 118.700 -0.564 0.000 2.120 195 N HA -0.173 4.566 4.740 -0.000 0.000 0.188 195 N C 1.724 176.854 175.510 -0.633 0.000 1.024 195 N CA 0.793 53.261 53.050 -0.969 0.000 0.852 195 N CB -0.140 37.894 38.487 -0.754 0.000 1.003 195 N HN 0.271 nan 8.380 nan 0.000 0.424 196 K N 0.526 120.759 120.400 -0.277 0.000 2.442 196 K HA -0.040 4.279 4.320 -0.000 0.000 0.199 196 K C 0.848 177.413 176.600 -0.058 0.000 1.044 196 K CA 0.576 56.799 56.287 -0.106 0.000 0.941 196 K CB -0.246 32.219 32.500 -0.058 0.000 0.759 196 K HN 0.348 nan 8.250 nan 0.000 0.472 197 C N 0.299 119.559 119.300 -0.067 0.000 2.884 197 C HA 0.129 4.589 4.460 -0.000 0.000 0.287 197 C C 0.456 175.430 174.990 -0.026 0.000 1.310 197 C CA -0.649 58.376 59.018 0.011 0.000 1.725 197 C CB -0.586 27.268 27.740 0.190 0.000 2.060 197 C HN 0.494 nan 8.230 nan 0.000 0.618 198 D N 0.404 120.725 120.400 -0.132 0.000 3.068 198 D HA -0.160 4.480 4.640 -0.000 0.000 0.218 198 D C -0.206 175.993 176.300 -0.169 0.000 1.145 198 D CA 0.698 54.703 54.000 0.008 0.000 0.896 198 D CB -1.251 39.664 40.800 0.191 0.000 1.105 198 D HN 0.494 nan 8.370 nan 0.000 0.423 199 I N -0.690 119.537 120.570 -0.570 0.000 2.525 199 I HA 0.316 4.486 4.170 -0.000 0.000 0.301 199 I C 0.536 176.072 176.117 -0.969 0.000 0.992 199 I CA -0.614 60.421 61.300 -0.442 0.000 1.162 199 I CB 1.180 39.051 38.000 -0.216 0.000 1.332 199 I HN -0.038 nan 8.210 nan 0.000 0.458 200 W N 2.632 123.768 121.300 -0.273 0.000 2.304 200 W HA 0.249 4.909 4.660 -0.000 0.000 0.326 200 W C 0.050 176.352 176.519 -0.361 0.000 0.920 200 W CA -0.168 56.971 57.345 -0.343 0.000 1.518 200 W CB 0.210 29.429 29.460 -0.402 0.000 1.112 200 W HN 0.320 nan 8.180 nan 0.000 0.528 201 H N 0.306 119.541 119.070 0.276 0.000 2.690 201 H HA 0.833 5.389 4.556 -0.000 0.000 0.368 201 H C -0.484 174.969 175.328 0.209 0.000 1.150 201 H CA -1.065 55.168 56.048 0.308 0.000 1.174 201 H CB 1.870 31.799 29.762 0.279 0.000 1.684 201 H HN -0.148 nan 8.280 nan 0.000 0.538 202 A N 2.335 125.411 122.820 0.427 0.000 2.515 202 A HA 0.503 4.822 4.320 -0.000 0.000 0.298 202 A C -1.365 176.440 177.584 0.369 0.000 1.059 202 A CA -0.736 51.466 52.037 0.275 0.000 0.698 202 A CB 1.884 20.946 19.000 0.102 0.000 1.289 202 A HN 0.591 nan 8.150 nan 0.000 0.404 203 L N 2.798 124.189 121.223 0.280 0.000 2.287 203 L HA 0.764 5.104 4.340 -0.000 0.000 0.287 203 L C -1.602 175.490 176.870 0.371 0.000 1.022 203 L CA -0.709 54.305 54.840 0.289 0.000 0.814 203 L CB 1.158 43.330 42.059 0.188 0.000 1.217 203 L HN 0.876 nan 8.230 nan 0.000 0.420 204 Y N 1.479 121.883 120.300 0.174 0.000 2.524 204 Y HA 0.752 5.302 4.550 -0.000 0.000 0.347 204 Y C -0.495 175.517 175.900 0.188 0.000 1.005 204 Y CA -1.380 56.797 58.100 0.128 0.000 1.025 204 Y CB 1.286 39.799 38.460 0.087 0.000 1.275 204 Y HN 0.528 nan 8.280 nan 0.000 0.460 205 T N 0.098 114.721 114.554 0.116 0.000 2.887 205 T HA 0.989 5.338 4.350 -0.000 0.000 0.288 205 T C -0.635 174.118 174.700 0.088 0.000 1.021 205 T CA -0.271 61.818 62.100 -0.018 0.000 1.000 205 T CB 1.656 70.352 68.868 -0.286 0.000 1.034 205 T HN 1.558 nan 8.240 nan 0.000 0.467 206 A N 1.025 123.937 122.820 0.152 0.000 2.587 206 A HA 0.875 5.195 4.320 -0.000 0.000 0.293 206 A C 0.879 178.564 177.584 0.170 0.000 1.087 206 A CA -0.432 51.699 52.037 0.157 0.000 0.692 206 A CB 1.041 20.131 19.000 0.150 0.000 1.291 206 A HN 1.144 nan 8.150 nan 0.000 0.407 207 G N 0.407 109.294 108.800 0.145 0.000 2.417 207 G HA2 0.242 4.202 3.960 -0.000 0.000 0.212 207 G HA3 0.242 4.202 3.960 -0.000 0.000 0.212 207 G C 0.935 175.942 174.900 0.178 0.000 1.187 207 G CA 0.780 45.981 45.100 0.170 0.000 0.804 207 G HN 1.289 nan 8.290 nan 0.000 0.534 208 I N 0.179 120.841 120.570 0.154 0.000 3.094 208 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 208 I C -0.010 176.225 176.117 0.197 0.000 1.250 208 I CA -0.772 60.620 61.300 0.152 0.000 1.401 208 I CB 0.410 38.486 38.000 0.127 0.000 1.343 208 I HN -0.131 nan 8.210 nan 0.000 0.599 209 V N 6.061 126.091 119.914 0.194 0.000 2.649 209 V HA 0.496 4.616 4.120 -0.000 0.000 0.292 209 V C 0.423 176.680 176.094 0.272 0.000 1.055 209 V CA -0.232 62.225 62.300 0.262 0.000 1.023 209 V CB 0.931 32.867 31.823 0.188 0.000 0.992 209 V HN 0.601 nan 8.190 nan 0.000 0.480 210 L N 3.740 125.164 121.223 0.335 0.000 2.568 210 L HA 0.432 4.772 4.340 -0.000 0.000 0.257 210 L C -1.993 174.928 176.870 0.086 0.000 1.024 210 L CA -1.585 53.255 54.840 0.001 0.000 0.854 210 L CB 1.913 43.586 42.059 -0.644 0.000 1.460 210 L HN 0.282 nan 8.230 nan 0.000 0.409 211 P HA -0.337 nan 4.420 nan 0.000 0.225 211 P C -0.012 176.943 177.300 -0.575 0.000 0.810 211 P CA 2.511 65.059 63.100 -0.920 0.000 1.060 211 P CB 0.033 31.392 31.700 -0.569 0.000 0.728 212 A N -1.973 120.784 122.820 -0.106 0.000 3.158 212 A HA 0.418 4.737 4.320 -0.000 0.000 0.319 212 A C -2.403 175.218 177.584 0.061 0.000 1.204 212 A CA -1.309 50.738 52.037 0.016 0.000 0.992 212 A CB -0.455 18.548 19.000 0.005 0.000 1.110 212 A HN 0.105 nan 8.150 nan 0.000 0.519 213 P HA 0.059 nan 4.420 nan 0.000 0.260 213 P C 1.186 178.394 177.300 -0.154 0.000 1.207 213 P CA 0.239 63.123 63.100 -0.360 0.000 0.780 213 P CB 1.031 32.587 31.700 -0.240 0.000 0.789 214 V N 2.106 121.929 119.914 -0.151 0.000 2.358 214 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 214 V C 1.248 177.313 176.094 -0.049 0.000 1.047 214 V CA 2.054 64.323 62.300 -0.051 0.000 1.035 214 V CB -0.216 31.592 31.823 -0.025 0.000 0.658 214 V HN 0.596 nan 8.190 nan 0.000 0.452 215 S N -2.691 112.981 115.700 -0.047 0.000 2.776 215 S HA 0.642 5.112 4.470 -0.000 0.000 0.292 215 S C -0.855 173.790 174.600 0.076 0.000 1.187 215 S CA -0.299 57.891 58.200 -0.017 0.000 0.834 215 S CB 2.341 65.483 63.200 -0.098 0.000 1.199 215 S HN 0.309 nan 8.310 nan 0.000 0.514 216 T N 0.629 115.238 114.554 0.091 0.000 2.853 216 T HA 0.700 5.049 4.350 -0.000 0.000 0.311 216 T C -1.394 173.404 174.700 0.163 0.000 1.307 216 T CA -0.418 61.758 62.100 0.127 0.000 1.019 216 T CB 1.040 69.894 68.868 -0.024 0.000 1.264 216 T HN 0.847 nan 8.240 nan 0.000 0.497 217 C N 0.778 120.214 119.300 0.227 0.000 3.323 217 C HA 0.846 5.305 4.460 -0.000 0.000 0.324 217 C C -0.692 174.479 174.990 0.301 0.000 1.428 217 C CA -1.047 58.092 59.018 0.201 0.000 1.368 217 C CB 2.247 30.101 27.740 0.191 0.000 1.731 217 C HN 1.018 nan 8.230 nan 0.000 0.455 218 R N -0.202 120.400 120.500 0.170 0.000 2.686 218 R HA 0.620 4.960 4.340 -0.000 0.000 0.283 218 R C -1.839 174.367 176.300 -0.156 0.000 0.978 218 R CA -0.352 55.795 56.100 0.079 0.000 0.897 218 R CB 1.132 31.513 30.300 0.135 0.000 1.192 218 R HN 0.752 nan 8.270 nan 0.000 0.457 219 Y N 0.887 121.105 120.300 -0.138 0.000 2.301 219 Y HA 0.272 4.822 4.550 -0.000 0.000 0.328 219 Y C 0.943 176.608 175.900 -0.391 0.000 1.242 219 Y CA 0.435 58.422 58.100 -0.187 0.000 1.323 219 Y CB 1.739 40.129 38.460 -0.118 0.000 1.266 219 Y HN 0.650 nan 8.280 nan 0.000 0.527 220 T N -1.741 112.586 114.554 -0.377 0.000 2.838 220 T HA 0.552 4.902 4.350 -0.000 0.000 0.292 220 T C -1.436 172.813 174.700 -0.752 0.000 1.113 220 T CA -1.048 60.801 62.100 -0.418 0.000 1.008 220 T CB 1.865 70.735 68.868 0.003 0.000 1.259 220 T HN 0.584 nan 8.240 nan 0.000 0.520 221 H N 0.506 119.632 119.070 0.093 0.000 3.108 221 H HA 0.471 5.027 4.556 -0.000 0.000 0.329 221 H C -0.924 174.309 175.328 -0.158 0.000 0.978 221 H CA -0.685 55.350 56.048 -0.022 0.000 1.413 221 H CB 1.714 31.517 29.762 0.067 0.000 1.670 221 H HN 0.492 nan 8.280 nan 0.000 0.512 222 R N 4.024 124.310 120.500 -0.357 0.000 2.205 222 R HA 0.317 4.656 4.340 -0.000 0.000 0.342 222 R C -2.852 173.293 176.300 -0.260 0.000 1.058 222 R CA -2.313 53.467 56.100 -0.534 0.000 0.904 222 R CB 0.103 29.663 30.300 -1.234 0.000 1.089 222 R HN 0.267 nan 8.270 nan 0.000 0.471 223 P HA 0.032 nan 4.420 nan 0.000 0.267 223 P C -0.078 177.143 177.300 -0.132 0.000 1.205 223 P CA 0.107 63.160 63.100 -0.078 0.000 0.765 223 P CB 0.753 32.520 31.700 0.111 0.000 0.828 224 L N 2.380 123.497 121.223 -0.176 0.000 2.349 224 L HA 0.183 4.523 4.340 -0.000 0.000 0.200 224 L C 0.665 177.459 176.870 -0.127 0.000 1.064 224 L CA 0.791 55.519 54.840 -0.186 0.000 0.821 224 L CB -0.215 41.705 42.059 -0.232 0.000 1.027 224 L HN 0.325 nan 8.230 nan 0.000 0.476 225 N N -0.244 118.366 118.700 -0.150 0.000 3.112 225 N HA 0.013 4.753 4.740 -0.000 0.000 0.270 225 N C 0.236 175.665 175.510 -0.135 0.000 1.385 225 N CA -0.356 52.621 53.050 -0.122 0.000 0.986 225 N CB 0.654 39.034 38.487 -0.178 0.000 1.261 225 N HN 0.215 nan 8.380 nan 0.000 0.495 226 W N 2.699 123.935 121.300 -0.106 0.000 2.317 226 W HA -0.252 4.408 4.660 -0.000 0.000 0.318 226 W C 2.164 178.677 176.519 -0.011 0.000 1.227 226 W CA 1.569 58.874 57.345 -0.066 0.000 1.269 226 W CB 0.111 29.533 29.460 -0.063 0.000 1.155 226 W HN 0.287 nan 8.180 nan 0.000 0.484 227 K N 0.551 120.859 120.400 -0.152 0.000 2.074 227 K HA -0.289 4.031 4.320 -0.000 0.000 0.209 227 K C 2.295 178.706 176.600 -0.314 0.000 1.048 227 K CA 2.182 58.322 56.287 -0.245 0.000 0.926 227 K CB -0.443 32.106 32.500 0.082 0.000 0.713 227 K HN 0.153 nan 8.250 nan 0.000 0.444 228 K N 0.486 120.703 120.400 -0.304 0.000 2.062 228 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 228 K C 2.091 178.422 176.600 -0.447 0.000 1.051 228 K CA 1.050 57.099 56.287 -0.397 0.000 0.941 228 K CB -0.060 32.148 32.500 -0.487 0.000 0.719 228 K HN 0.138 nan 8.250 nan 0.000 0.440 229 L N 0.347 121.288 121.223 -0.469 0.000 2.043 229 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 229 L C 2.583 179.260 176.870 -0.321 0.000 1.075 229 L CA 1.554 56.152 54.840 -0.404 0.000 0.752 229 L CB -0.664 41.150 42.059 -0.408 0.000 0.891 229 L HN 0.290 nan 8.230 nan 0.000 0.432 230 Y N 1.157 121.032 120.300 -0.708 0.000 2.163 230 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 230 Y C 2.511 178.229 175.900 -0.302 0.000 1.136 230 Y CA 1.430 59.169 58.100 -0.602 0.000 1.147 230 Y CB -0.104 37.688 38.460 -1.113 0.000 0.987 230 Y HN 0.118 nan 8.280 nan 0.000 0.509 231 E N -0.058 119.924 120.200 -0.362 0.000 2.472 231 E HA -0.062 4.288 4.350 -0.000 0.000 0.200 231 E C 1.532 178.011 176.600 -0.202 0.000 1.046 231 E CA 1.119 57.353 56.400 -0.278 0.000 0.871 231 E CB -0.303 29.351 29.700 -0.077 0.000 0.806 231 E HN 0.524 nan 8.360 nan 0.000 0.533 232 V N -3.002 116.799 119.914 -0.189 0.000 3.159 232 V HA 0.217 4.336 4.120 -0.000 0.000 0.333 232 V C -0.415 175.709 176.094 0.051 0.000 1.424 232 V CA -0.314 61.951 62.300 -0.059 0.000 1.125 232 V CB 0.090 31.907 31.823 -0.009 0.000 1.075 232 V HN -0.138 nan 8.190 nan 0.000 0.482 233 D N -0.188 120.188 120.400 -0.040 0.000 2.800 233 D HA -0.259 4.380 4.640 -0.000 0.000 0.232 233 D C 0.299 176.728 176.300 0.216 0.000 1.137 233 D CA 1.225 55.239 54.000 0.024 0.000 0.718 233 D CB -1.662 39.122 40.800 -0.027 0.000 1.084 233 D HN 0.618 nan 8.370 nan 0.000 0.432 234 F N 0.609 120.562 119.950 0.004 0.000 2.335 234 F HA 0.029 4.556 4.527 -0.001 0.000 0.296 234 F C 1.616 177.341 175.800 -0.125 0.000 1.091 234 F CA 1.726 59.643 58.000 -0.138 0.000 1.399 234 F CB 0.516 39.319 39.000 -0.329 0.000 1.067 234 F HN 0.094 nan 8.300 nan 0.000 0.520 235 T N -2.741 111.866 114.554 0.089 0.000 2.812 235 T HA 0.743 5.092 4.350 -0.000 0.000 0.294 235 T C -0.077 174.750 174.700 0.212 0.000 1.159 235 T CA -0.416 61.746 62.100 0.103 0.000 1.008 235 T CB 1.218 70.199 68.868 0.188 0.000 1.289 235 T HN 0.128 nan 8.240 nan 0.000 0.514 236 G N -0.567 108.405 108.800 0.287 0.000 3.108 236 G HA2 0.644 4.603 3.960 -0.000 0.000 0.268 236 G HA3 0.644 4.603 3.960 -0.000 0.000 0.268 236 G C -1.708 173.452 174.900 0.433 0.000 1.361 236 G CA -0.923 44.424 45.100 0.412 0.000 1.047 236 G HN 0.798 nan 8.290 nan 0.000 0.540 237 L N 2.124 123.534 121.223 0.313 0.000 2.280 237 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 237 L C -1.861 175.008 176.870 -0.003 0.000 1.023 237 L CA -2.146 52.741 54.840 0.079 0.000 0.819 237 L CB 1.238 43.267 42.059 -0.049 0.000 1.212 237 L HN 0.289 nan 8.230 nan 0.000 0.420 238 P HA 0.110 nan 4.420 nan 0.000 0.268 238 P C -0.951 176.279 177.300 -0.117 0.000 1.204 238 P CA -0.250 62.701 63.100 -0.248 0.000 0.768 238 P CB 0.698 32.042 31.700 -0.593 0.000 0.842 239 D N 0.977 121.391 120.400 0.024 0.000 2.423 239 D HA 0.326 4.966 4.640 -0.000 0.000 0.238 239 D C 1.581 178.065 176.300 0.307 0.000 1.142 239 D CA 1.520 55.597 54.000 0.128 0.000 0.884 239 D CB -0.121 40.724 40.800 0.075 0.000 1.199 239 D HN 0.693 nan 8.370 nan 0.000 0.438 240 G N 0.438 109.343 108.800 0.176 0.000 2.175 240 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 240 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 240 G C -0.048 174.794 174.900 -0.097 0.000 0.982 240 G CA 0.082 45.200 45.100 0.030 0.000 0.641 240 G HN 0.616 nan 8.290 nan 0.000 0.527 241 H N 0.296 119.317 119.070 -0.082 0.000 2.651 241 H HA 0.782 5.338 4.556 -0.000 0.000 0.353 241 H C 0.553 175.798 175.328 -0.137 0.000 1.178 241 H CA 0.119 56.089 56.048 -0.131 0.000 1.224 241 H CB 1.632 31.281 29.762 -0.188 0.000 1.702 241 H HN 0.421 nan 8.280 nan 0.000 0.550 242 T N -2.292 112.234 114.554 -0.047 0.000 2.907 242 T HA 0.274 4.623 4.350 -0.000 0.000 0.292 242 T C 0.819 175.408 174.700 -0.185 0.000 1.043 242 T CA -1.001 61.049 62.100 -0.084 0.000 1.003 242 T CB 1.923 70.756 68.868 -0.060 0.000 1.084 242 T HN 0.620 nan 8.240 nan 0.000 0.483 243 E N 0.753 120.875 120.200 -0.131 0.000 2.086 243 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 243 E C 1.723 178.231 176.600 -0.154 0.000 1.012 243 E CA 2.011 58.353 56.400 -0.097 0.000 0.812 243 E CB -0.119 29.695 29.700 0.191 0.000 0.743 243 E HN 0.775 nan 8.360 nan 0.000 0.453 244 E N 0.812 120.965 120.200 -0.077 0.000 2.070 244 E HA -0.206 4.143 4.350 -0.000 0.000 0.197 244 E C 1.772 178.288 176.600 -0.140 0.000 1.004 244 E CA 1.570 57.926 56.400 -0.073 0.000 0.805 244 E CB -0.110 29.562 29.700 -0.047 0.000 0.744 244 E HN 0.226 nan 8.360 nan 0.000 0.451 245 D N -0.198 120.100 120.400 -0.169 0.000 2.120 245 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 245 D C 1.918 178.051 176.300 -0.277 0.000 0.994 245 D CA 1.231 55.123 54.000 -0.180 0.000 0.838 245 D CB -0.296 40.410 40.800 -0.157 0.000 0.976 245 D HN 0.100 nan 8.370 nan 0.000 0.447 246 M N 0.268 119.572 119.600 -0.494 0.000 2.089 246 M HA -0.153 4.327 4.480 -0.000 0.000 0.257 246 M C 2.606 178.537 176.300 -0.615 0.000 1.071 246 M CA 1.057 55.854 55.300 -0.839 0.000 1.096 246 M CB -1.131 30.311 32.600 -1.930 0.000 1.330 246 M HN 0.102 nan 8.290 nan 0.000 0.403 247 I N -0.014 120.315 120.570 -0.402 0.000 2.264 247 I HA -0.280 3.889 4.170 -0.000 0.000 0.248 247 I C 2.547 178.626 176.117 -0.064 0.000 1.111 247 I CA 1.286 62.555 61.300 -0.052 0.000 1.382 247 I CB -0.473 37.580 38.000 0.087 0.000 1.060 247 I HN 0.255 nan 8.210 nan 0.000 0.418 248 A N -0.020 122.739 122.820 -0.103 0.000 1.898 248 A HA -0.200 4.119 4.320 -0.000 0.000 0.214 248 A C 2.238 179.774 177.584 -0.079 0.000 1.183 248 A CA 1.353 53.346 52.037 -0.073 0.000 0.622 248 A CB -0.532 18.425 19.000 -0.071 0.000 0.824 248 A HN 0.400 nan 8.150 nan 0.000 0.444 249 E N 0.419 120.547 120.200 -0.120 0.000 2.097 249 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 249 E C 0.891 177.445 176.600 -0.076 0.000 1.000 249 E CA 1.565 57.904 56.400 -0.102 0.000 0.804 249 E CB -0.092 29.520 29.700 -0.146 0.000 0.740 249 E HN 0.570 nan 8.360 nan 0.000 0.454 250 N N 0.152 118.799 118.700 -0.087 0.000 2.314 250 N HA 0.095 4.835 4.740 -0.000 0.000 0.200 250 N C -0.621 174.862 175.510 -0.045 0.000 1.135 250 N CA 0.387 53.409 53.050 -0.048 0.000 0.835 250 N CB 0.569 39.053 38.487 -0.005 0.000 0.989 250 N HN 0.094 nan 8.380 nan 0.000 0.478 251 A N 0.908 123.705 122.820 -0.037 0.000 2.498 251 A HA 0.366 4.686 4.320 -0.000 0.000 0.239 251 A C 0.083 177.634 177.584 -0.054 0.000 1.068 251 A CA 0.247 52.261 52.037 -0.039 0.000 0.766 251 A CB 0.234 19.218 19.000 -0.025 0.000 1.003 251 A HN 0.263 nan 8.150 nan 0.000 0.497 252 L N 3.007 124.175 121.223 -0.091 0.000 2.385 252 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 252 L C -2.250 174.555 176.870 -0.108 0.000 0.990 252 L CA -1.931 52.821 54.840 -0.147 0.000 0.821 252 L CB 1.991 43.887 42.059 -0.272 0.000 1.279 252 L HN 0.516 nan 8.230 nan 0.000 0.412 253 P HA -0.005 nan 4.420 nan 0.000 0.266 253 P C 0.197 177.454 177.300 -0.072 0.000 1.186 253 P CA 0.017 63.093 63.100 -0.040 0.000 0.767 253 P CB 0.835 32.541 31.700 0.010 0.000 0.820 254 A N 1.158 123.949 122.820 -0.048 0.000 2.167 254 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 254 A C 1.065 178.621 177.584 -0.045 0.000 1.151 254 A CA 1.420 53.427 52.037 -0.049 0.000 0.735 254 A CB -0.642 18.340 19.000 -0.031 0.000 0.802 254 A HN 0.591 nan 8.150 nan 0.000 0.467 255 K N -0.425 119.952 120.400 -0.038 0.000 2.468 255 K HA 0.591 4.910 4.320 -0.000 0.000 0.252 255 K C -0.179 176.403 176.600 -0.030 0.000 0.932 255 K CA 0.080 56.350 56.287 -0.029 0.000 0.794 255 K CB 0.336 32.830 32.500 -0.010 0.000 1.241 255 K HN 0.356 nan 8.250 nan 0.000 0.428 256 T N 0.552 115.084 114.554 -0.037 0.000 2.855 256 T HA 0.144 4.493 4.350 -0.000 0.000 0.322 256 T C 0.067 174.772 174.700 0.009 0.000 1.088 256 T CA 0.580 62.663 62.100 -0.029 0.000 1.104 256 T CB 0.025 68.872 68.868 -0.035 0.000 0.996 256 T HN 0.497 nan 8.240 nan 0.000 0.549 257 K N 3.010 123.431 120.400 0.034 0.000 2.901 257 K HA 0.336 4.656 4.320 -0.000 0.000 0.199 257 K C -0.939 175.683 176.600 0.036 0.000 1.140 257 K CA -0.416 55.895 56.287 0.039 0.000 1.030 257 K CB 0.888 33.420 32.500 0.053 0.000 1.437 257 K HN 0.537 nan 8.250 nan 0.000 0.552 258 T N 0.485 115.061 114.554 0.036 0.000 3.295 258 T HA 0.301 4.651 4.350 -0.000 0.000 0.331 258 T C -1.140 173.587 174.700 0.046 0.000 1.142 258 T CA -0.724 61.402 62.100 0.044 0.000 1.078 258 T CB 1.657 70.563 68.868 0.063 0.000 1.150 258 T HN 0.320 nan 8.240 nan 0.000 0.465 259 A N 1.389 124.235 122.820 0.042 0.000 2.320 259 A HA 0.725 5.044 4.320 -0.000 0.000 0.287 259 A C 1.399 179.013 177.584 0.051 0.000 1.181 259 A CA 0.544 52.607 52.037 0.042 0.000 0.831 259 A CB -0.379 18.642 19.000 0.034 0.000 1.102 259 A HN 1.819 nan 8.150 nan 0.000 0.513 260 G N 1.197 110.029 108.800 0.053 0.000 2.232 260 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.226 260 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.226 260 G C 0.258 175.201 174.900 0.071 0.000 0.996 260 G CA -0.000 45.136 45.100 0.060 0.000 0.626 260 G HN 1.097 nan 8.290 nan 0.000 0.509 261 L N 2.224 123.492 121.223 0.074 0.000 2.565 261 L HA 0.584 4.923 4.340 -0.000 0.000 0.275 261 L C 0.602 177.529 176.870 0.095 0.000 1.137 261 L CA 0.786 55.678 54.840 0.085 0.000 0.915 261 L CB 0.053 42.158 42.059 0.078 0.000 1.232 261 L HN 0.565 nan 8.230 nan 0.000 0.473 262 R N 4.909 125.481 120.500 0.121 0.000 2.799 262 R HA 0.443 4.783 4.340 -0.000 0.000 0.270 262 R C -1.076 175.338 176.300 0.189 0.000 1.010 262 R CA -0.895 55.287 56.100 0.136 0.000 0.916 262 R CB 1.751 32.099 30.300 0.080 0.000 1.228 262 R HN 0.642 nan 8.270 nan 0.000 0.469 263 K N 3.410 123.889 120.400 0.133 0.000 2.253 263 K HA 0.184 4.503 4.320 -0.000 0.000 0.277 263 K C -0.023 176.489 176.600 -0.147 0.000 1.053 263 K CA -0.764 55.453 56.287 -0.118 0.000 0.892 263 K CB 1.245 33.620 32.500 -0.208 0.000 1.102 263 K HN 0.433 nan 8.250 nan 0.000 0.469 264 L N 3.162 124.282 121.223 -0.172 0.000 2.715 264 L HA -0.202 4.137 4.340 -0.000 0.000 0.317 264 L C -0.381 176.450 176.870 -0.064 0.000 1.263 264 L CA 1.494 56.286 54.840 -0.080 0.000 0.860 264 L CB 0.148 42.173 42.059 -0.057 0.000 1.103 264 L HN 0.937 nan 8.230 nan 0.000 0.522 265 K N 2.127 122.518 120.400 -0.015 0.000 2.495 265 K HA 0.581 4.900 4.320 -0.000 0.000 0.268 265 K C 0.422 177.039 176.600 0.028 0.000 1.008 265 K CA -0.237 56.048 56.287 -0.002 0.000 0.882 265 K CB 1.076 33.578 32.500 0.002 0.000 1.443 265 K HN 0.345 nan 8.250 nan 0.000 0.447 266 K N 1.071 121.492 120.400 0.035 0.000 2.032 266 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 266 K C 1.799 178.431 176.600 0.053 0.000 1.048 266 K CA 2.568 58.889 56.287 0.056 0.000 0.927 266 K CB -1.104 31.426 32.500 0.050 0.000 0.712 266 K HN 0.719 nan 8.250 nan 0.000 0.441 267 E N 1.361 121.584 120.200 0.038 0.000 2.253 267 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 267 E C 1.746 178.367 176.600 0.036 0.000 1.014 267 E CA 1.640 58.061 56.400 0.034 0.000 0.823 267 E CB -0.174 29.543 29.700 0.027 0.000 0.736 267 E HN 0.732 nan 8.360 nan 0.000 0.478 268 D N -0.748 119.676 120.400 0.039 0.000 2.213 268 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 268 D C 1.623 177.945 176.300 0.037 0.000 0.961 268 D CA 0.104 54.125 54.000 0.035 0.000 0.853 268 D CB -0.182 40.636 40.800 0.030 0.000 0.967 268 D HN 0.058 nan 8.370 nan 0.000 0.496 269 I N 2.149 122.759 120.570 0.067 0.000 2.419 269 I HA -0.407 3.762 4.170 -0.000 0.000 0.229 269 I C 1.840 177.975 176.117 0.029 0.000 0.948 269 I CA 1.666 63.015 61.300 0.081 0.000 1.247 269 I CB -0.651 37.410 38.000 0.102 0.000 0.956 269 I HN 0.071 nan 8.210 nan 0.000 0.388 270 D N -0.511 119.917 120.400 0.046 0.000 2.126 270 D HA -0.285 4.354 4.640 -0.000 0.000 0.190 270 D C 2.073 178.353 176.300 -0.034 0.000 1.001 270 D CA 1.981 56.001 54.000 0.033 0.000 0.841 270 D CB -0.357 40.459 40.800 0.027 0.000 0.949 270 D HN 0.598 nan 8.370 nan 0.000 0.446 271 Q N 0.702 120.489 119.800 -0.021 0.000 2.050 271 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 271 Q C 2.406 178.384 176.000 -0.036 0.000 0.980 271 Q CA 1.145 56.932 55.803 -0.026 0.000 0.840 271 Q CB 0.177 28.918 28.738 0.005 0.000 0.898 271 Q HN 0.094 nan 8.270 nan 0.000 0.424 272 V N 0.871 120.761 119.914 -0.040 0.000 2.223 272 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 272 V C 2.161 178.189 176.094 -0.110 0.000 1.045 272 V CA 1.997 64.241 62.300 -0.094 0.000 1.000 272 V CB -1.049 30.690 31.823 -0.140 0.000 0.635 272 V HN 0.460 nan 8.190 nan 0.000 0.445 273 F N 1.708 121.403 119.950 -0.425 0.000 2.154 273 F HA -0.212 4.314 4.527 -0.000 0.000 0.301 273 F C 2.309 177.925 175.800 -0.308 0.000 1.087 273 F CA 2.272 59.853 58.000 -0.698 0.000 1.274 273 F CB -0.566 37.868 39.000 -0.944 0.000 1.009 273 F HN 0.242 nan 8.300 nan 0.000 0.485 274 E N 0.180 120.134 120.200 -0.410 0.000 2.152 274 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 274 E C 2.054 178.528 176.600 -0.210 0.000 0.983 274 E CA 1.029 57.159 56.400 -0.450 0.000 0.818 274 E CB -0.570 28.950 29.700 -0.299 0.000 0.758 274 E HN 0.405 nan 8.360 nan 0.000 0.467 275 L N -0.086 121.103 121.223 -0.057 0.000 2.027 275 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 275 L C 2.012 179.025 176.870 0.238 0.000 1.074 275 L CA 1.684 56.588 54.840 0.108 0.000 0.745 275 L CB -0.953 41.198 42.059 0.153 0.000 0.898 275 L HN 0.236 nan 8.230 nan 0.000 0.433 276 F N 1.126 121.101 119.950 0.042 0.000 2.051 276 F HA -0.225 4.301 4.527 -0.000 0.000 0.296 276 F C 2.587 178.502 175.800 0.192 0.000 1.122 276 F CA 2.322 60.416 58.000 0.156 0.000 1.201 276 F CB -0.863 38.180 39.000 0.072 0.000 0.978 276 F HN 0.236 nan 8.300 nan 0.000 0.472 277 K N 0.257 120.529 120.400 -0.213 0.000 2.089 277 K HA -0.319 4.001 4.320 -0.000 0.000 0.210 277 K C 2.427 178.906 176.600 -0.203 0.000 1.048 277 K CA 2.486 58.583 56.287 -0.316 0.000 0.926 277 K CB -0.304 31.959 32.500 -0.393 0.000 0.714 277 K HN 0.326 nan 8.250 nan 0.000 0.448 278 R N 0.481 120.905 120.500 -0.126 0.000 2.070 278 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 278 R C 2.186 178.455 176.300 -0.052 0.000 1.138 278 R CA 1.922 57.946 56.100 -0.127 0.000 0.936 278 R CB -1.942 28.270 30.300 -0.147 0.000 0.839 278 R HN 0.571 nan 8.270 nan 0.000 0.429 279 Y N 1.256 121.616 120.300 0.100 0.000 2.081 279 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 279 Y C 2.599 178.558 175.900 0.099 0.000 1.163 279 Y CA 2.542 60.781 58.100 0.232 0.000 1.135 279 Y CB -0.422 38.282 38.460 0.406 0.000 0.970 279 Y HN 0.499 nan 8.280 nan 0.000 0.498 280 Q N -0.531 119.423 119.800 0.257 0.000 2.439 280 Q HA -0.162 4.178 4.340 -0.000 0.000 0.211 280 Q C 2.341 178.364 176.000 0.037 0.000 0.978 280 Q CA 1.037 57.027 55.803 0.311 0.000 0.897 280 Q CB -0.314 28.497 28.738 0.122 0.000 0.956 280 Q HN 0.503 nan 8.270 nan 0.000 0.483 281 S N 0.502 116.129 115.700 -0.122 0.000 2.402 281 S HA -0.246 4.223 4.470 -0.000 0.000 0.233 281 S C 1.892 176.373 174.600 -0.198 0.000 1.030 281 S CA 1.441 59.560 58.200 -0.136 0.000 1.003 281 S CB -0.328 62.773 63.200 -0.165 0.000 0.813 281 S HN 0.551 nan 8.310 nan 0.000 0.477 282 R N -0.554 119.691 120.500 -0.425 0.000 2.211 282 R HA -0.079 4.261 4.340 -0.000 0.000 0.240 282 R C -0.553 175.402 176.300 -0.576 0.000 1.144 282 R CA 0.927 56.651 56.100 -0.625 0.000 0.992 282 R CB -0.219 29.445 30.300 -1.060 0.000 0.869 282 R HN 0.450 nan 8.270 nan 0.000 0.462 283 F N -0.031 119.928 119.950 0.014 0.000 2.422 283 F HA 0.265 4.792 4.527 -0.000 0.000 0.333 283 F C 1.227 177.041 175.800 0.022 0.000 1.095 283 F CA -0.931 57.091 58.000 0.037 0.000 1.038 283 F CB 1.423 40.465 39.000 0.071 0.000 1.156 283 F HN -0.152 nan 8.300 nan 0.000 0.483 284 E N 0.822 121.145 120.200 0.204 0.000 2.265 284 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 284 E C -0.249 176.399 176.600 0.081 0.000 0.996 284 E CA 0.753 57.216 56.400 0.106 0.000 0.832 284 E CB 0.198 29.942 29.700 0.073 0.000 0.756 284 E HN 0.289 nan 8.360 nan 0.000 0.491 285 L N 0.804 122.084 121.223 0.095 0.000 2.446 285 L HA 0.415 4.755 4.340 -0.000 0.000 0.268 285 L C -0.813 176.109 176.870 0.087 0.000 0.975 285 L CA -0.615 54.250 54.840 0.042 0.000 0.848 285 L CB 1.074 43.112 42.059 -0.034 0.000 1.225 285 L HN -0.011 nan 8.230 nan 0.000 0.410 286 I N 0.547 121.186 120.570 0.116 0.000 3.458 286 I HA 0.590 4.760 4.170 -0.000 0.000 0.316 286 I C -1.338 174.878 176.117 0.166 0.000 1.202 286 I CA -0.929 60.487 61.300 0.192 0.000 0.929 286 I CB 2.112 40.260 38.000 0.247 0.000 1.340 286 I HN 0.690 nan 8.210 nan 0.000 0.481 287 Q N 1.257 121.198 119.800 0.235 0.000 2.266 287 Q HA 0.592 4.932 4.340 -0.000 0.000 0.261 287 Q C -1.340 174.706 176.000 0.077 0.000 0.985 287 Q CA -0.834 54.986 55.803 0.028 0.000 0.873 287 Q CB 2.186 30.759 28.738 -0.275 0.000 1.306 287 Q HN 0.693 nan 8.270 nan 0.000 0.447 288 I N 4.404 124.973 120.570 -0.003 0.000 2.417 288 I HA 0.189 4.359 4.170 -0.000 0.000 0.283 288 I C -0.750 175.449 176.117 0.137 0.000 1.121 288 I CA -0.558 60.817 61.300 0.125 0.000 1.211 288 I CB -0.087 37.969 38.000 0.094 0.000 1.492 288 I HN 0.483 nan 8.210 nan 0.000 0.522 289 F N 2.883 122.960 119.950 0.211 0.000 2.608 289 F HA 0.016 4.543 4.527 -0.001 0.000 0.380 289 F C 1.780 177.668 175.800 0.147 0.000 1.083 289 F CA -0.016 58.114 58.000 0.218 0.000 1.266 289 F CB 0.216 39.440 39.000 0.375 0.000 1.076 289 F HN 0.394 nan 8.300 nan 0.000 0.574 290 T N -0.046 114.637 114.554 0.215 0.000 2.801 290 T HA 0.156 4.506 4.350 -0.000 0.000 0.324 290 T C 1.306 175.919 174.700 -0.144 0.000 1.088 290 T CA -0.347 61.826 62.100 0.122 0.000 0.975 290 T CB 0.716 69.640 68.868 0.093 0.000 1.316 290 T HN 0.705 nan 8.240 nan 0.000 0.533 291 K N -0.279 119.980 120.400 -0.235 0.000 2.137 291 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 291 K C 2.330 178.849 176.600 -0.135 0.000 1.052 291 K CA 0.795 56.723 56.287 -0.597 0.000 0.961 291 K CB -0.148 32.221 32.500 -0.219 0.000 0.741 291 K HN 0.785 nan 8.250 nan 0.000 0.452 292 E N 1.539 121.752 120.200 0.021 0.000 2.028 292 E HA -0.193 4.156 4.350 -0.000 0.000 0.191 292 E C 0.330 177.049 176.600 0.197 0.000 0.988 292 E CA 1.231 57.697 56.400 0.110 0.000 0.799 292 E CB -0.045 29.706 29.700 0.086 0.000 0.755 292 E HN 0.435 nan 8.360 nan 0.000 0.447 293 E N -0.659 119.658 120.200 0.195 0.000 2.975 293 E HA -0.027 4.323 4.350 -0.000 0.000 0.301 293 E C 0.315 177.185 176.600 0.449 0.000 1.554 293 E CA -0.068 56.492 56.400 0.265 0.000 1.716 293 E CB -0.309 29.500 29.700 0.180 0.000 1.365 293 E HN 0.371 nan 8.360 nan 0.000 0.469 294 F N 0.014 120.092 119.950 0.214 0.000 1.769 294 F HA 0.119 4.646 4.527 -0.000 0.000 0.246 294 F C 1.751 177.687 175.800 0.227 0.000 1.187 294 F CA 0.132 58.253 58.000 0.202 0.000 1.306 294 F CB 0.222 39.176 39.000 -0.078 0.000 1.792 294 F HN 0.100 nan 8.300 nan 0.000 0.401 295 E N 0.071 120.565 120.200 0.490 0.000 2.097 295 E HA -0.386 3.964 4.350 -0.000 0.000 0.196 295 E C 1.993 178.732 176.600 0.232 0.000 1.000 295 E CA 2.230 58.843 56.400 0.355 0.000 0.804 295 E CB -0.418 29.456 29.700 0.290 0.000 0.740 295 E HN 0.687 nan 8.360 nan 0.000 0.454 296 H N 0.233 119.393 119.070 0.151 0.000 2.387 296 H HA -0.062 4.494 4.556 -0.001 0.000 0.299 296 H C 1.967 177.414 175.328 0.198 0.000 1.090 296 H CA 1.974 58.111 56.048 0.148 0.000 1.332 296 H CB -0.226 29.604 29.762 0.113 0.000 1.386 296 H HN 0.124 nan 8.280 nan 0.000 0.516 297 N N -0.384 118.245 118.700 -0.119 0.000 2.309 297 N HA -0.110 4.629 4.740 -0.000 0.000 0.182 297 N C 0.633 175.977 175.510 -0.278 0.000 1.018 297 N CA 1.075 53.944 53.050 -0.300 0.000 0.876 297 N CB -0.102 38.113 38.487 -0.453 0.000 0.972 297 N HN 0.449 nan 8.380 nan 0.000 0.434 298 F N -0.776 119.163 119.950 -0.020 0.000 2.706 298 F HA 0.421 4.948 4.527 -0.000 0.000 0.308 298 F C 0.160 175.906 175.800 -0.091 0.000 1.095 298 F CA -0.181 57.776 58.000 -0.071 0.000 1.244 298 F CB 0.985 39.798 39.000 -0.312 0.000 1.063 298 F HN -0.185 nan 8.300 nan 0.000 0.582 299 I N 0.274 120.888 120.570 0.074 0.000 2.468 299 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 299 I C 0.342 176.426 176.117 -0.055 0.000 1.038 299 I CA -0.615 60.674 61.300 -0.020 0.000 1.083 299 I CB 1.281 39.299 38.000 0.030 0.000 1.223 299 I HN -0.031 nan 8.210 nan 0.000 0.443 300 G N 3.653 112.338 108.800 -0.191 0.000 2.502 300 G HA2 0.227 4.186 3.960 -0.000 0.000 0.305 300 G HA3 0.227 4.186 3.960 -0.000 0.000 0.305 300 G C -0.187 174.640 174.900 -0.121 0.000 1.190 300 G CA -0.352 44.624 45.100 -0.206 0.000 0.933 300 G HN 0.532 nan 8.290 nan 0.000 0.503 301 E N 0.536 120.697 120.200 -0.066 0.000 2.905 301 E HA 0.041 4.391 4.350 -0.000 0.000 0.240 301 E C 1.799 178.357 176.600 -0.071 0.000 0.990 301 E CA 0.753 57.132 56.400 -0.034 0.000 0.954 301 E CB 0.347 30.040 29.700 -0.012 0.000 0.908 301 E HN 0.725 nan 8.360 nan 0.000 0.532 302 E N 3.480 123.648 120.200 -0.053 0.000 2.130 302 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 302 E C 1.882 178.449 176.600 -0.054 0.000 0.998 302 E CA 1.757 58.121 56.400 -0.060 0.000 0.806 302 E CB -0.565 29.113 29.700 -0.036 0.000 0.738 302 E HN 0.585 nan 8.360 nan 0.000 0.459 303 S N -0.661 115.017 115.700 -0.036 0.000 2.389 303 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 303 S C 1.648 176.226 174.600 -0.037 0.000 1.048 303 S CA 2.074 60.257 58.200 -0.029 0.000 1.117 303 S CB -1.392 61.798 63.200 -0.018 0.000 1.020 303 S HN 1.664 nan 8.310 nan 0.000 0.430 304 L N 3.589 124.783 121.223 -0.048 0.000 2.667 304 L HA 0.302 4.641 4.340 -0.000 0.000 0.296 304 L C -1.091 175.749 176.870 -0.050 0.000 1.252 304 L CA -0.055 54.755 54.840 -0.050 0.000 0.891 304 L CB -1.445 40.571 42.059 -0.071 0.000 1.141 304 L HN 0.497 nan 8.230 nan 0.000 0.501 305 P HA 0.237 nan 4.420 nan 0.000 0.278 305 P C 1.188 178.495 177.300 0.013 0.000 1.258 305 P CA -0.667 62.430 63.100 -0.005 0.000 0.811 305 P CB 1.534 33.239 31.700 0.008 0.000 1.063 306 L N 1.780 123.027 121.223 0.039 0.000 2.030 306 L HA -0.199 4.141 4.340 -0.000 0.000 0.222 306 L C 1.677 178.628 176.870 0.134 0.000 1.082 306 L CA 2.846 57.745 54.840 0.099 0.000 0.785 306 L CB -1.364 40.760 42.059 0.109 0.000 0.895 306 L HN 0.605 nan 8.230 nan 0.000 0.439 307 D N -1.457 119.000 120.400 0.094 0.000 2.378 307 D HA -0.161 4.479 4.640 -0.000 0.000 0.227 307 D C 1.394 177.751 176.300 0.095 0.000 1.012 307 D CA 0.514 54.572 54.000 0.097 0.000 0.905 307 D CB 0.251 41.091 40.800 0.067 0.000 0.895 307 D HN 0.371 nan 8.370 nan 0.000 0.532 308 K N -0.082 120.365 120.400 0.079 0.000 2.403 308 K HA 0.048 4.368 4.320 -0.000 0.000 0.199 308 K C 1.003 177.634 176.600 0.051 0.000 1.199 308 K CA -0.244 56.079 56.287 0.060 0.000 0.924 308 K CB 0.083 32.596 32.500 0.022 0.000 1.137 308 K HN 0.221 nan 8.250 nan 0.000 0.510 309 Q N 1.559 121.367 119.800 0.013 0.000 2.394 309 Q HA -0.099 4.241 4.340 -0.000 0.000 0.347 309 Q C 0.637 176.620 176.000 -0.029 0.000 1.144 309 Q CA 0.194 55.924 55.803 -0.122 0.000 1.050 309 Q CB 0.744 29.292 28.738 -0.317 0.000 1.188 309 Q HN -0.105 nan 8.270 nan 0.000 0.406 310 V N 4.103 123.866 119.914 -0.252 0.000 2.911 310 V HA 0.111 4.230 4.120 -0.000 0.000 0.237 310 V C 0.289 176.188 176.094 -0.324 0.000 1.156 310 V CA 0.155 62.315 62.300 -0.233 0.000 1.180 310 V CB 0.485 31.987 31.823 -0.536 0.000 0.932 310 V HN 0.715 nan 8.190 nan 0.000 0.483 311 I N 0.172 120.320 120.570 -0.702 0.000 2.404 311 I HA 0.565 4.734 4.170 -0.000 0.000 0.293 311 I C -1.502 174.294 176.117 -0.535 0.000 0.992 311 I CA -0.855 60.115 61.300 -0.550 0.000 1.149 311 I CB 1.359 38.873 38.000 -0.809 0.000 1.315 311 I HN -0.013 nan 8.210 nan 0.000 0.446 312 F N 5.929 125.579 119.950 -0.499 0.000 2.434 312 F HA 0.517 5.044 4.527 -0.001 0.000 0.355 312 F C 0.173 175.685 175.800 -0.479 0.000 1.115 312 F CA -0.438 57.176 58.000 -0.644 0.000 1.010 312 F CB 1.415 39.693 39.000 -1.204 0.000 1.234 312 F HN 0.308 nan 8.300 nan 0.000 0.439 313 S N 3.085 118.534 115.700 -0.418 0.000 2.472 313 S HA 0.744 5.214 4.470 -0.000 0.000 0.303 313 S C -1.245 172.887 174.600 -0.780 0.000 1.099 313 S CA -0.644 57.369 58.200 -0.313 0.000 1.077 313 S CB 1.090 64.272 63.200 -0.029 0.000 1.031 313 S HN 0.409 nan 8.310 nan 0.000 0.487 314 Y N 0.258 120.345 120.300 -0.356 0.000 2.576 314 Y HA 0.788 5.338 4.550 -0.001 0.000 0.346 314 Y C -0.126 175.562 175.900 -0.353 0.000 1.018 314 Y CA -0.900 56.937 58.100 -0.438 0.000 1.050 314 Y CB 1.687 39.688 38.460 -0.764 0.000 1.280 314 Y HN 0.470 nan 8.280 nan 0.000 0.474 315 V N 0.993 120.893 119.914 -0.024 0.000 3.178 315 V HA 0.620 4.740 4.120 -0.000 0.000 0.302 315 V C -1.896 174.243 176.094 0.074 0.000 1.262 315 V CA -0.775 61.562 62.300 0.061 0.000 1.030 315 V CB 2.515 34.401 31.823 0.105 0.000 1.074 315 V HN 0.486 nan 8.190 nan 0.000 0.438 316 V N 4.279 124.254 119.914 0.101 0.000 2.275 316 V HA 0.390 4.509 4.120 -0.000 0.000 0.272 316 V C 0.021 176.166 176.094 0.086 0.000 1.028 316 V CA -0.363 61.994 62.300 0.096 0.000 0.810 316 V CB 1.224 33.113 31.823 0.110 0.000 1.043 316 V HN 0.914 nan 8.190 nan 0.000 0.453 317 E N 4.754 124.997 120.200 0.071 0.000 2.003 317 E HA 0.236 4.585 4.350 -0.000 0.000 0.279 317 E C 0.155 176.788 176.600 0.055 0.000 1.132 317 E CA -0.218 56.219 56.400 0.061 0.000 0.888 317 E CB 0.485 30.215 29.700 0.051 0.000 1.056 317 E HN 0.671 nan 8.360 nan 0.000 0.399 318 Q N 4.945 124.779 119.800 0.056 0.000 2.454 318 Q HA 0.051 4.391 4.340 -0.000 0.000 0.247 318 Q C -1.344 174.681 176.000 0.042 0.000 1.028 318 Q CA -1.349 54.484 55.803 0.050 0.000 0.910 318 Q CB 0.603 29.373 28.738 0.053 0.000 1.276 318 Q HN 0.533 nan 8.270 nan 0.000 0.489 319 P HA -0.294 nan 4.420 nan 0.000 0.221 319 P C 0.189 177.507 177.300 0.030 0.000 1.160 319 P CA 2.226 65.345 63.100 0.032 0.000 0.933 319 P CB -0.079 31.638 31.700 0.029 0.000 0.793 320 D N -2.257 118.162 120.400 0.032 0.000 2.392 320 D HA 0.093 4.733 4.640 -0.000 0.000 0.228 320 D C 1.612 177.931 176.300 0.032 0.000 1.003 320 D CA 1.090 55.108 54.000 0.030 0.000 0.917 320 D CB -0.706 40.113 40.800 0.031 0.000 0.890 320 D HN 0.409 nan 8.370 nan 0.000 0.532 321 G N 0.013 108.835 108.800 0.035 0.000 2.527 321 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.218 321 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.218 321 G C 0.971 175.896 174.900 0.043 0.000 1.177 321 G CA 0.210 45.331 45.100 0.037 0.000 0.695 321 G HN 0.800 nan 8.290 nan 0.000 0.517 322 K N 1.069 121.496 120.400 0.044 0.000 1.893 322 K HA 0.392 4.712 4.320 -0.000 0.000 0.231 322 K C 0.882 177.521 176.600 0.065 0.000 1.196 322 K CA 1.119 57.438 56.287 0.053 0.000 1.339 322 K CB -1.703 30.830 32.500 0.055 0.000 0.907 322 K HN 1.963 nan 8.250 nan 0.000 0.351 323 I N -0.659 119.950 120.570 0.065 0.000 2.752 323 I HA 0.134 4.304 4.170 -0.000 0.000 0.289 323 I C 1.123 177.301 176.117 0.101 0.000 1.197 323 I CA 0.806 62.153 61.300 0.079 0.000 1.432 323 I CB 1.058 39.103 38.000 0.075 0.000 1.359 323 I HN 0.362 nan 8.210 nan 0.000 0.571 324 T N 2.672 117.294 114.554 0.112 0.000 2.971 324 T HA 0.229 4.578 4.350 -0.000 0.000 0.252 324 T C 0.170 174.968 174.700 0.165 0.000 1.022 324 T CA 0.152 62.331 62.100 0.132 0.000 0.980 324 T CB -0.213 68.718 68.868 0.106 0.000 1.044 324 T HN 0.812 nan 8.240 nan 0.000 0.501 325 D N 0.631 121.133 120.400 0.171 0.000 2.619 325 D HA 0.478 5.118 4.640 -0.000 0.000 0.241 325 D C -1.429 175.035 176.300 0.273 0.000 1.087 325 D CA -0.361 53.768 54.000 0.215 0.000 0.851 325 D CB 2.128 43.040 40.800 0.185 0.000 1.474 325 D HN 0.306 nan 8.370 nan 0.000 0.478 326 F N 2.766 122.789 119.950 0.121 0.000 2.604 326 F HA 0.591 5.118 4.527 -0.000 0.000 0.316 326 F C -2.186 173.710 175.800 0.160 0.000 1.136 326 F CA -0.906 57.113 58.000 0.032 0.000 0.989 326 F CB 1.237 40.227 39.000 -0.017 0.000 1.258 326 F HN 0.313 nan 8.300 nan 0.000 0.451 327 F N 2.479 121.998 119.950 -0.718 0.000 2.678 327 F HA 0.848 5.375 4.527 -0.001 0.000 0.308 327 F C -1.499 174.049 175.800 -0.419 0.000 1.118 327 F CA -0.640 56.967 58.000 -0.654 0.000 0.959 327 F CB 1.369 40.284 39.000 -0.142 0.000 1.305 327 F HN 0.581 nan 8.300 nan 0.000 0.443 328 S N 1.445 117.208 115.700 0.104 0.000 2.661 328 S HA 0.953 5.423 4.470 -0.000 0.000 0.285 328 S C -1.293 173.729 174.600 0.703 0.000 1.138 328 S CA -0.695 57.716 58.200 0.352 0.000 0.855 328 S CB 2.559 66.002 63.200 0.405 0.000 1.136 328 S HN 1.674 nan 8.310 nan 0.000 0.484 329 F N -1.621 118.680 119.950 0.585 0.000 2.744 329 F HA 0.782 5.309 4.527 -0.001 0.000 0.311 329 F C -1.813 174.254 175.800 0.445 0.000 1.144 329 F CA -1.545 56.718 58.000 0.438 0.000 0.938 329 F CB 0.260 39.522 39.000 0.437 0.000 1.292 329 F HN 0.841 nan 8.300 nan 0.000 0.444 330 Y N -0.483 120.146 120.300 0.548 0.000 2.662 330 Y HA 0.840 5.389 4.550 -0.001 0.000 0.335 330 Y C -0.961 175.239 175.900 0.499 0.000 1.066 330 Y CA -1.843 56.462 58.100 0.342 0.000 1.116 330 Y CB 1.200 39.694 38.460 0.056 0.000 1.308 330 Y HN 0.810 nan 8.280 nan 0.000 0.502 331 S N 1.513 117.646 115.700 0.721 0.000 2.449 331 S HA 0.667 5.136 4.470 -0.000 0.000 0.310 331 S C -1.358 173.564 174.600 0.538 0.000 1.096 331 S CA -0.715 57.805 58.200 0.534 0.000 1.095 331 S CB 0.261 63.705 63.200 0.407 0.000 1.007 331 S HN 0.753 nan 8.310 nan 0.000 0.474 332 L N 7.476 128.928 121.223 0.381 0.000 2.549 332 L HA 0.421 4.761 4.340 -0.000 0.000 0.260 332 L C -2.438 174.449 176.870 0.028 0.000 1.109 332 L CA -1.617 53.282 54.840 0.097 0.000 0.900 332 L CB 2.027 44.052 42.059 -0.057 0.000 1.119 332 L HN 0.535 nan 8.230 nan 0.000 0.471 333 P HA 0.067 nan 4.420 nan 0.000 0.272 333 P C -0.797 176.508 177.300 0.007 0.000 1.254 333 P CA 0.035 63.108 63.100 -0.044 0.000 0.795 333 P CB 0.837 32.549 31.700 0.019 0.000 1.022 334 F N -1.263 118.585 119.950 -0.170 0.000 2.492 334 F HA 0.209 4.736 4.527 -0.000 0.000 0.327 334 F C 0.850 176.632 175.800 -0.030 0.000 1.079 334 F CA -0.859 57.048 58.000 -0.155 0.000 0.967 334 F CB 2.127 41.026 39.000 -0.168 0.000 1.169 334 F HN 0.048 nan 8.300 nan 0.000 0.472 335 T N 4.843 119.468 114.554 0.119 0.000 2.728 335 T HA 0.334 4.684 4.350 -0.000 0.000 0.296 335 T C 0.167 174.899 174.700 0.052 0.000 0.940 335 T CA -0.305 61.835 62.100 0.066 0.000 1.013 335 T CB 0.080 68.958 68.868 0.017 0.000 0.912 335 T HN 0.269 nan 8.240 nan 0.000 0.484 336 I N 5.675 126.297 120.570 0.086 0.000 2.311 336 I HA 0.140 4.309 4.170 -0.000 0.000 0.297 336 I C 0.464 176.515 176.117 -0.111 0.000 1.131 336 I CA -0.284 61.031 61.300 0.025 0.000 1.289 336 I CB -0.095 37.951 38.000 0.076 0.000 1.446 336 I HN 0.389 nan 8.210 nan 0.000 0.524 337 L N 6.610 127.709 121.223 -0.206 0.000 2.464 337 L HA 0.206 4.545 4.340 -0.000 0.000 0.264 337 L C 0.939 177.680 176.870 -0.214 0.000 1.199 337 L CA -0.174 54.562 54.840 -0.174 0.000 0.818 337 L CB -0.018 41.929 42.059 -0.187 0.000 1.102 337 L HN 0.627 nan 8.230 nan 0.000 0.473 338 N N 0.003 118.614 118.700 -0.148 0.000 2.878 338 N HA -0.224 4.516 4.740 -0.000 0.000 0.247 338 N C -0.550 174.884 175.510 -0.127 0.000 1.021 338 N CA 0.893 53.856 53.050 -0.146 0.000 0.873 338 N CB -1.135 37.235 38.487 -0.196 0.000 1.128 338 N HN 0.749 nan 8.380 nan 0.000 0.571 339 N N -0.655 117.988 118.700 -0.094 0.000 2.249 339 N HA 0.310 5.049 4.740 -0.000 0.000 0.296 339 N C 0.864 176.360 175.510 -0.022 0.000 1.051 339 N CA 0.449 53.465 53.050 -0.057 0.000 0.815 339 N CB 1.277 39.738 38.487 -0.044 0.000 1.487 339 N HN 0.147 nan 8.380 nan 0.000 0.475 340 T N 0.289 114.828 114.554 -0.025 0.000 3.035 340 T HA 0.110 4.460 4.350 -0.000 0.000 0.259 340 T C 1.297 175.975 174.700 -0.036 0.000 1.078 340 T CA 0.835 62.916 62.100 -0.031 0.000 1.132 340 T CB 0.111 68.957 68.868 -0.038 0.000 0.900 340 T HN 0.462 nan 8.240 nan 0.000 0.480 341 K N -0.333 120.068 120.400 0.002 0.000 2.155 341 K HA 0.134 4.453 4.320 -0.000 0.000 0.203 341 K C -0.425 176.101 176.600 -0.124 0.000 1.052 341 K CA 0.783 57.055 56.287 -0.025 0.000 0.948 341 K CB 0.082 32.658 32.500 0.125 0.000 0.728 341 K HN 0.435 nan 8.250 nan 0.000 0.448 342 Y N -1.297 118.978 120.300 -0.042 0.000 2.581 342 Y HA 0.175 4.725 4.550 -0.000 0.000 0.337 342 Y C 0.462 176.348 175.900 -0.023 0.000 1.108 342 Y CA -0.979 57.103 58.100 -0.030 0.000 1.033 342 Y CB 1.767 40.210 38.460 -0.029 0.000 1.318 342 Y HN -0.375 nan 8.280 nan 0.000 0.459 343 K N 0.091 120.594 120.400 0.172 0.000 2.391 343 K HA 0.254 4.574 4.320 -0.000 0.000 0.197 343 K C -0.966 175.695 176.600 0.100 0.000 1.087 343 K CA 0.531 56.875 56.287 0.094 0.000 1.012 343 K CB 0.707 33.241 32.500 0.056 0.000 0.925 343 K HN 0.605 nan 8.250 nan 0.000 0.547 344 D N 0.079 120.553 120.400 0.125 0.000 2.732 344 D HA 0.204 4.843 4.640 -0.000 0.000 0.229 344 D C -1.457 174.875 176.300 0.053 0.000 1.152 344 D CA -0.652 53.405 54.000 0.095 0.000 0.854 344 D CB 2.230 43.079 40.800 0.081 0.000 1.590 344 D HN -0.138 nan 8.370 nan 0.000 0.468 345 L N 0.985 122.227 121.223 0.031 0.000 2.333 345 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 345 L C 0.076 176.863 176.870 -0.139 0.000 1.004 345 L CA -0.313 54.467 54.840 -0.100 0.000 0.820 345 L CB 1.713 43.697 42.059 -0.124 0.000 1.247 345 L HN 0.479 nan 8.230 nan 0.000 0.416 346 G N 6.323 115.012 108.800 -0.185 0.000 2.333 346 G HA2 0.571 4.530 3.960 -0.000 0.000 0.290 346 G HA3 0.571 4.530 3.960 -0.000 0.000 0.290 346 G C -0.664 174.080 174.900 -0.259 0.000 1.150 346 G CA -0.257 44.748 45.100 -0.158 0.000 0.895 346 G HN 0.565 nan 8.290 nan 0.000 0.444 347 I N 1.663 122.098 120.570 -0.226 0.000 2.582 347 I HA 0.510 4.680 4.170 -0.000 0.000 0.292 347 I C 0.377 176.401 176.117 -0.156 0.000 1.066 347 I CA -1.001 60.104 61.300 -0.325 0.000 1.053 347 I CB 2.705 40.410 38.000 -0.492 0.000 1.241 347 I HN 0.535 nan 8.210 nan 0.000 0.421 348 G N 4.788 113.440 108.800 -0.247 0.000 2.502 348 G HA2 0.571 4.531 3.960 -0.000 0.000 0.311 348 G HA3 0.571 4.531 3.960 -0.000 0.000 0.311 348 G C -1.471 173.154 174.900 -0.458 0.000 1.270 348 G CA -0.265 44.759 45.100 -0.126 0.000 0.948 348 G HN 0.344 nan 8.290 nan 0.000 0.487 349 Y N 2.030 122.073 120.300 -0.428 0.000 2.383 349 Y HA 0.274 4.824 4.550 -0.001 0.000 0.344 349 Y C 0.558 176.124 175.900 -0.557 0.000 0.986 349 Y CA -0.930 56.785 58.100 -0.641 0.000 1.175 349 Y CB 1.697 39.689 38.460 -0.779 0.000 1.152 349 Y HN 0.471 nan 8.280 nan 0.000 0.511 350 L N 5.257 126.242 121.223 -0.398 0.000 2.534 350 L HA 0.003 4.343 4.340 -0.000 0.000 0.271 350 L C -0.247 176.762 176.870 0.233 0.000 1.178 350 L CA 0.243 55.126 54.840 0.071 0.000 0.907 350 L CB -0.323 41.783 42.059 0.078 0.000 1.164 350 L HN 0.635 nan 8.230 nan 0.000 0.482 351 Y N 5.270 125.718 120.300 0.246 0.000 3.255 351 Y HA 0.278 4.828 4.550 -0.000 0.000 0.254 351 Y C -0.139 175.853 175.900 0.153 0.000 0.887 351 Y CA -0.345 57.886 58.100 0.219 0.000 1.161 351 Y CB -0.269 38.452 38.460 0.436 0.000 1.152 351 Y HN 0.504 nan 8.280 nan 0.000 0.513 352 Y N 0.425 120.866 120.300 0.235 0.000 2.376 352 Y HA 0.409 4.958 4.550 -0.000 0.000 0.325 352 Y C -0.726 175.081 175.900 -0.154 0.000 1.199 352 Y CA -0.527 57.534 58.100 -0.065 0.000 1.206 352 Y CB 0.745 39.065 38.460 -0.234 0.000 1.229 352 Y HN 0.262 nan 8.280 nan 0.000 0.480 353 Y N -1.138 119.167 120.300 0.009 0.000 2.656 353 Y HA 0.896 5.446 4.550 -0.001 0.000 0.334 353 Y C -1.716 174.183 175.900 -0.001 0.000 1.179 353 Y CA -2.065 55.913 58.100 -0.204 0.000 1.050 353 Y CB 0.989 39.416 38.460 -0.056 0.000 1.308 353 Y HN 0.717 nan 8.280 nan 0.000 0.456 354 A N 1.172 124.194 122.820 0.337 0.000 2.577 354 A HA 0.735 5.055 4.320 -0.000 0.000 0.297 354 A C -1.332 176.434 177.584 0.303 0.000 1.060 354 A CA -0.140 52.021 52.037 0.207 0.000 0.697 354 A CB 1.632 20.991 19.000 0.597 0.000 1.281 354 A HN 1.318 nan 8.150 nan 0.000 0.402 355 T N 0.059 114.798 114.554 0.307 0.000 2.982 355 T HA 0.478 4.827 4.350 -0.000 0.000 0.321 355 T C -0.172 174.620 174.700 0.154 0.000 1.229 355 T CA 0.307 62.564 62.100 0.262 0.000 1.044 355 T CB 1.302 70.269 68.868 0.164 0.000 1.184 355 T HN 0.874 nan 8.240 nan 0.000 0.477 356 D N 2.784 123.127 120.400 -0.094 0.000 2.347 356 D HA 0.203 4.843 4.640 -0.000 0.000 0.213 356 D C 1.839 177.556 176.300 -0.971 0.000 0.985 356 D CA 0.855 54.348 54.000 -0.846 0.000 0.879 356 D CB -0.247 40.513 40.800 -0.067 0.000 0.919 356 D HN 0.609 nan 8.370 nan 0.000 0.526 357 A N 2.699 125.288 122.820 -0.385 0.000 2.200 357 A HA -0.374 3.946 4.320 -0.000 0.000 0.210 357 A C 2.022 179.451 177.584 -0.259 0.000 1.266 357 A CA 2.823 54.730 52.037 -0.217 0.000 0.839 357 A CB -1.402 17.544 19.000 -0.090 0.000 0.813 357 A HN 0.491 nan 8.150 nan 0.000 0.520 358 D N 0.107 120.372 120.400 -0.224 0.000 2.133 358 D HA -0.268 4.371 4.640 -0.000 0.000 0.192 358 D C 1.767 178.070 176.300 0.006 0.000 1.001 358 D CA 2.378 56.267 54.000 -0.185 0.000 0.844 358 D CB -0.914 39.800 40.800 -0.143 0.000 0.944 358 D HN 0.635 nan 8.370 nan 0.000 0.447 359 F N 1.107 121.098 119.950 0.069 0.000 2.134 359 F HA 0.023 4.550 4.527 -0.001 0.000 0.299 359 F C 2.382 178.255 175.800 0.121 0.000 1.097 359 F CA 0.820 58.863 58.000 0.072 0.000 1.264 359 F CB -1.599 37.412 39.000 0.018 0.000 1.001 359 F HN -0.048 nan 8.300 nan 0.000 0.479 360 Q N 0.031 120.284 119.800 0.756 0.000 2.500 360 Q HA -0.042 4.297 4.340 -0.000 0.000 0.213 360 Q C 1.678 177.875 176.000 0.327 0.000 0.974 360 Q CA 1.212 57.307 55.803 0.487 0.000 0.918 360 Q CB -0.741 28.228 28.738 0.384 0.000 0.980 360 Q HN 0.673 nan 8.270 nan 0.000 0.505 361 F N -0.891 119.142 119.950 0.140 0.000 2.222 361 F HA 0.247 4.774 4.527 -0.000 0.000 0.285 361 F C 1.087 176.931 175.800 0.074 0.000 1.068 361 F CA 0.743 58.792 58.000 0.082 0.000 1.265 361 F CB 0.120 39.153 39.000 0.054 0.000 1.087 361 F HN 0.015 nan 8.300 nan 0.000 0.511 362 K N 0.248 121.088 120.400 0.733 0.000 2.158 362 K HA 0.628 4.948 4.320 -0.000 0.000 0.243 362 K C 0.079 176.816 176.600 0.229 0.000 1.079 362 K CA 0.342 56.912 56.287 0.471 0.000 0.920 362 K CB -0.625 32.226 32.500 0.585 0.000 1.400 362 K HN 0.175 nan 8.250 nan 0.000 0.561 363 D N -0.633 119.853 120.400 0.144 0.000 2.929 363 D HA 0.219 4.859 4.640 -0.000 0.000 0.291 363 D C 1.186 177.494 176.300 0.012 0.000 1.086 363 D CA 0.763 54.798 54.000 0.058 0.000 0.971 363 D CB 0.128 40.942 40.800 0.023 0.000 1.275 363 D HN 0.555 nan 8.370 nan 0.000 0.469 364 R N 0.370 120.867 120.500 -0.005 0.000 2.560 364 R HA 0.394 4.733 4.340 -0.000 0.000 0.270 364 R C 0.253 176.544 176.300 -0.015 0.000 1.074 364 R CA -0.959 55.070 56.100 -0.119 0.000 1.140 364 R CB 0.080 30.291 30.300 -0.149 0.000 1.073 364 R HN 0.367 nan 8.270 nan 0.000 0.527 365 F N -0.211 119.728 119.950 -0.017 0.000 2.772 365 F HA 0.185 4.711 4.527 -0.000 0.000 0.302 365 F C -0.072 175.699 175.800 -0.048 0.000 1.225 365 F CA -1.278 56.695 58.000 -0.044 0.000 1.429 365 F CB -1.896 37.075 39.000 -0.049 0.000 1.104 365 F HN 0.619 nan 8.300 nan 0.000 0.550 366 D N 2.252 122.807 120.400 0.257 0.000 2.973 366 D HA -0.142 4.498 4.640 -0.000 0.000 0.214 366 D C -1.504 174.876 176.300 0.133 0.000 1.079 366 D CA -0.482 53.636 54.000 0.196 0.000 0.797 366 D CB 0.775 41.666 40.800 0.153 0.000 1.168 366 D HN 0.015 nan 8.370 nan 0.000 0.515 367 P HA -0.358 nan 4.420 nan 0.000 0.216 367 P C 1.347 178.657 177.300 0.016 0.000 1.062 367 P CA 3.429 66.566 63.100 0.062 0.000 0.995 367 P CB -0.237 31.509 31.700 0.078 0.000 0.762 368 K N -1.176 119.289 120.400 0.107 0.000 2.366 368 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 368 K C 2.034 178.502 176.600 -0.220 0.000 1.045 368 K CA 2.176 58.573 56.287 0.184 0.000 0.934 368 K CB -1.668 31.126 32.500 0.491 0.000 0.746 368 K HN 0.371 nan 8.250 nan 0.000 0.470 369 A N -1.134 121.305 122.820 -0.635 0.000 2.035 369 A HA 0.113 4.433 4.320 -0.000 0.000 0.208 369 A C 2.459 179.740 177.584 -0.505 0.000 1.206 369 A CA 1.603 52.865 52.037 -1.292 0.000 0.773 369 A CB -0.387 17.901 19.000 -1.186 0.000 0.878 369 A HN 0.445 nan 8.150 nan 0.000 0.469 370 T N 0.205 114.615 114.554 -0.240 0.000 2.622 370 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 370 T C 2.203 176.826 174.700 -0.128 0.000 1.047 370 T CA 3.157 65.174 62.100 -0.138 0.000 1.159 370 T CB -0.393 68.416 68.868 -0.099 0.000 0.863 370 T HN 0.521 nan 8.240 nan 0.000 0.422 371 K N 0.578 120.912 120.400 -0.110 0.000 2.362 371 K HA 0.387 4.707 4.320 -0.000 0.000 0.200 371 K C 2.351 178.905 176.600 -0.077 0.000 1.046 371 K CA 1.497 57.740 56.287 -0.072 0.000 0.952 371 K CB -1.120 31.355 32.500 -0.042 0.000 0.753 371 K HN 0.635 nan 8.250 nan 0.000 0.466 372 A N 0.634 123.368 122.820 -0.143 0.000 1.898 372 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 372 A C 2.378 179.911 177.584 -0.086 0.000 1.181 372 A CA 1.302 53.262 52.037 -0.129 0.000 0.620 372 A CB -0.289 18.531 19.000 -0.300 0.000 0.819 372 A HN 0.457 nan 8.150 nan 0.000 0.442 373 L N -0.710 120.456 121.223 -0.095 0.000 1.961 373 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 373 L C 2.536 179.411 176.870 0.008 0.000 1.072 373 L CA 2.253 57.081 54.840 -0.020 0.000 0.749 373 L CB -0.434 41.638 42.059 0.021 0.000 0.889 373 L HN 0.526 nan 8.230 nan 0.000 0.432 374 K N -0.309 120.090 120.400 -0.001 0.000 2.007 374 K HA -0.356 3.963 4.320 -0.000 0.000 0.231 374 K C 1.857 178.463 176.600 0.010 0.000 1.044 374 K CA 3.444 59.737 56.287 0.010 0.000 0.996 374 K CB -0.758 31.730 32.500 -0.019 0.000 0.738 374 K HN 0.564 nan 8.250 nan 0.000 0.447 375 T N -1.131 113.417 114.554 -0.010 0.000 2.778 375 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 375 T C 2.065 176.753 174.700 -0.020 0.000 1.050 375 T CA 1.393 63.482 62.100 -0.018 0.000 1.137 375 T CB -0.314 68.543 68.868 -0.018 0.000 0.860 375 T HN 0.200 nan 8.240 nan 0.000 0.468 376 R N 0.802 121.295 120.500 -0.011 0.000 2.075 376 R HA 0.224 4.563 4.340 -0.000 0.000 0.226 376 R C 2.534 178.815 176.300 -0.031 0.000 1.114 376 R CA 0.834 56.928 56.100 -0.010 0.000 0.972 376 R CB -0.842 29.460 30.300 0.003 0.000 0.869 376 R HN 0.505 nan 8.270 nan 0.000 0.437 377 L N -0.297 120.911 121.223 -0.026 0.000 1.988 377 L HA -0.227 4.112 4.340 -0.000 0.000 0.207 377 L C 2.595 179.378 176.870 -0.145 0.000 1.071 377 L CA 1.392 56.176 54.840 -0.093 0.000 0.744 377 L CB -0.594 41.500 42.059 0.060 0.000 0.893 377 L HN 0.184 nan 8.230 nan 0.000 0.433 378 C N -0.242 119.048 119.300 -0.017 0.000 2.388 378 C HA -0.197 4.263 4.460 -0.000 0.000 0.299 378 C C 2.562 177.509 174.990 -0.071 0.000 1.390 378 C CA 1.157 60.170 59.018 -0.008 0.000 1.808 378 C CB -1.269 26.478 27.740 0.012 0.000 1.831 378 C HN 0.535 nan 8.230 nan 0.000 0.548 379 E N -0.129 120.019 120.200 -0.087 0.000 2.307 379 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 379 E C 1.908 178.460 176.600 -0.079 0.000 0.975 379 E CA 0.151 56.510 56.400 -0.069 0.000 0.878 379 E CB 0.102 29.774 29.700 -0.047 0.000 0.845 379 E HN 0.584 nan 8.360 nan 0.000 0.488 380 L N 0.353 121.473 121.223 -0.172 0.000 1.971 380 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 380 L C 2.255 178.771 176.870 -0.589 0.000 1.083 380 L CA 0.593 55.268 54.840 -0.275 0.000 0.753 380 L CB -0.517 41.363 42.059 -0.298 0.000 0.893 380 L HN 0.141 nan 8.230 nan 0.000 0.436 381 I N -0.706 119.414 120.570 -0.749 0.000 2.229 381 I HA -0.359 3.811 4.170 -0.000 0.000 0.250 381 I C 2.428 178.252 176.117 -0.488 0.000 1.096 381 I CA 1.531 62.358 61.300 -0.788 0.000 1.358 381 I CB -0.747 36.675 38.000 -0.964 0.000 1.047 381 I HN 0.171 nan 8.210 nan 0.000 0.422 382 Y N 1.565 121.633 120.300 -0.387 0.000 2.165 382 Y HA -0.302 4.247 4.550 -0.000 0.000 0.286 382 Y C 2.201 177.904 175.900 -0.327 0.000 1.155 382 Y CA 1.991 59.928 58.100 -0.271 0.000 1.164 382 Y CB -0.349 38.007 38.460 -0.172 0.000 0.978 382 Y HN 0.255 nan 8.280 nan 0.000 0.513 383 D N -0.622 119.633 120.400 -0.242 0.000 2.312 383 D HA -0.046 4.593 4.640 -0.000 0.000 0.211 383 D C 2.145 178.217 176.300 -0.380 0.000 0.964 383 D CA 0.999 54.853 54.000 -0.243 0.000 0.877 383 D CB -0.404 40.361 40.800 -0.059 0.000 0.924 383 D HN 0.444 nan 8.370 nan 0.000 0.515 384 A N 0.119 122.560 122.820 -0.631 0.000 1.898 384 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 384 A C 2.357 179.319 177.584 -1.037 0.000 1.181 384 A CA 0.979 52.576 52.037 -0.735 0.000 0.620 384 A CB -0.828 17.618 19.000 -0.923 0.000 0.819 384 A HN 0.349 nan 8.150 nan 0.000 0.442 385 C N -0.650 118.006 119.300 -1.074 0.000 2.435 385 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 385 C C 2.528 177.076 174.990 -0.736 0.000 1.321 385 C CA 0.740 59.113 59.018 -1.074 0.000 1.752 385 C CB -1.312 25.910 27.740 -0.862 0.000 1.959 385 C HN 0.604 nan 8.230 nan 0.000 0.500 386 I N 0.091 120.299 120.570 -0.603 0.000 2.233 386 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 386 I C 2.479 178.399 176.117 -0.328 0.000 1.093 386 I CA 1.091 62.142 61.300 -0.415 0.000 1.380 386 I CB -0.420 37.387 38.000 -0.322 0.000 1.067 386 I HN 0.237 nan 8.210 nan 0.000 0.413 387 L N 0.815 121.841 121.223 -0.327 0.000 1.989 387 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 387 L C 2.914 179.667 176.870 -0.196 0.000 1.071 387 L CA 2.340 57.057 54.840 -0.204 0.000 0.749 387 L CB -1.493 40.456 42.059 -0.182 0.000 0.890 387 L HN 0.265 nan 8.230 nan 0.000 0.431 388 A N -0.135 122.383 122.820 -0.503 0.000 1.908 388 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 388 A C 2.453 179.817 177.584 -0.367 0.000 1.181 388 A CA 2.061 53.725 52.037 -0.621 0.000 0.627 388 A CB -0.515 17.849 19.000 -1.059 0.000 0.818 388 A HN 0.387 nan 8.150 nan 0.000 0.445 389 K N -0.328 119.846 120.400 -0.375 0.000 2.026 389 K HA -0.182 4.137 4.320 -0.000 0.000 0.208 389 K C 1.580 178.077 176.600 -0.171 0.000 1.048 389 K CA 1.590 57.718 56.287 -0.265 0.000 0.929 389 K CB -0.246 32.089 32.500 -0.275 0.000 0.713 389 K HN 0.452 nan 8.250 nan 0.000 0.439 390 N N 0.449 119.061 118.700 -0.148 0.000 2.364 390 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 390 N C 1.231 176.729 175.510 -0.020 0.000 1.022 390 N CA 1.099 54.106 53.050 -0.071 0.000 0.883 390 N CB -0.011 38.446 38.487 -0.051 0.000 0.965 390 N HN 0.276 nan 8.380 nan 0.000 0.438 391 A N 0.423 123.227 122.820 -0.027 0.000 2.251 391 A HA 0.077 4.396 4.320 -0.000 0.000 0.209 391 A C 0.224 177.807 177.584 -0.003 0.000 1.187 391 A CA -0.091 51.964 52.037 0.028 0.000 0.823 391 A CB 0.004 18.984 19.000 -0.034 0.000 0.846 391 A HN 0.232 nan 8.150 nan 0.000 0.486 392 N N -0.488 118.184 118.700 -0.047 0.000 2.932 392 N HA -0.094 4.646 4.740 -0.000 0.000 0.247 392 N C -0.762 174.696 175.510 -0.087 0.000 1.101 392 N CA 0.797 53.816 53.050 -0.052 0.000 0.672 392 N CB -1.086 37.397 38.487 -0.007 0.000 0.985 392 N HN 0.419 nan 8.380 nan 0.000 0.561 393 M N 0.113 119.628 119.600 -0.142 0.000 2.227 393 M HA 0.253 4.733 4.480 -0.000 0.000 0.335 393 M C 0.794 176.963 176.300 -0.218 0.000 1.053 393 M CA -0.433 54.761 55.300 -0.177 0.000 0.973 393 M CB 1.310 33.791 32.600 -0.199 0.000 1.623 393 M HN -0.126 nan 8.290 nan 0.000 0.434 394 D N 1.242 121.484 120.400 -0.263 0.000 2.323 394 D HA 0.095 4.734 4.640 -0.000 0.000 0.209 394 D C 0.284 176.358 176.300 -0.376 0.000 0.973 394 D CA 0.723 54.534 54.000 -0.315 0.000 0.874 394 D CB 0.851 41.425 40.800 -0.376 0.000 0.930 394 D HN 0.317 nan 8.370 nan 0.000 0.521 395 V N -0.059 119.616 119.914 -0.399 0.000 3.077 395 V HA 0.417 4.536 4.120 -0.000 0.000 0.299 395 V C -2.120 173.795 176.094 -0.299 0.000 1.276 395 V CA -1.025 61.039 62.300 -0.394 0.000 0.993 395 V CB 2.541 33.973 31.823 -0.652 0.000 1.076 395 V HN -0.142 nan 8.190 nan 0.000 0.434 396 F N 5.891 125.587 119.950 -0.423 0.000 2.427 396 F HA 0.603 5.130 4.527 -0.000 0.000 0.348 396 F C 0.140 175.751 175.800 -0.315 0.000 1.125 396 F CA -0.365 57.373 58.000 -0.437 0.000 0.989 396 F CB 1.373 40.063 39.000 -0.517 0.000 1.165 396 F HN 0.632 nan 8.300 nan 0.000 0.442 397 N N 3.669 121.863 118.700 -0.844 0.000 2.472 397 N HA 0.859 5.598 4.740 -0.000 0.000 0.289 397 N C -1.303 173.971 175.510 -0.392 0.000 1.156 397 N CA -0.840 51.892 53.050 -0.529 0.000 0.940 397 N CB 1.745 39.833 38.487 -0.666 0.000 1.200 397 N HN 0.649 nan 8.380 nan 0.000 0.511 398 A N 0.624 123.401 122.820 -0.072 0.000 2.610 398 A HA 0.414 4.733 4.320 -0.000 0.000 0.291 398 A C -0.644 176.919 177.584 -0.035 0.000 1.086 398 A CA -0.593 51.444 52.037 0.001 0.000 0.677 398 A CB 0.784 19.827 19.000 0.072 0.000 1.278 398 A HN 0.611 nan 8.150 nan 0.000 0.414 399 L N 1.489 122.688 121.223 -0.040 0.000 2.769 399 L HA 0.163 4.502 4.340 -0.000 0.000 0.240 399 L C 1.510 178.335 176.870 -0.076 0.000 1.163 399 L CA 0.912 55.684 54.840 -0.112 0.000 0.962 399 L CB 0.164 42.152 42.059 -0.119 0.000 1.258 399 L HN 1.396 nan 8.230 nan 0.000 0.513 400 T N -3.194 111.304 114.554 -0.094 0.000 5.060 400 T HA -0.217 4.133 4.350 -0.000 0.000 0.309 400 T C 0.344 175.011 174.700 -0.055 0.000 1.248 400 T CA 1.004 63.048 62.100 -0.094 0.000 2.322 400 T CB -2.278 66.562 68.868 -0.046 0.000 1.982 400 T HN 0.518 nan 8.240 nan 0.000 0.955 401 S N -0.434 115.243 115.700 -0.039 0.000 2.718 401 S HA 0.745 5.215 4.470 -0.000 0.000 0.300 401 S C 0.535 175.107 174.600 -0.047 0.000 1.117 401 S CA 0.259 58.418 58.200 -0.069 0.000 1.002 401 S CB 2.090 65.235 63.200 -0.091 0.000 1.092 401 S HN 0.961 nan 8.310 nan 0.000 0.542 402 Q N -0.204 119.507 119.800 -0.149 0.000 1.409 402 Q HA -0.211 4.128 4.340 -0.000 0.000 0.359 402 Q C -0.768 175.418 176.000 0.310 0.000 0.955 402 Q CA 1.472 57.206 55.803 -0.115 0.000 0.718 402 Q CB -1.291 27.350 28.738 -0.161 0.000 4.264 402 Q HN 0.848 nan 8.270 nan 0.000 0.586 403 D N 0.124 120.838 120.400 0.523 0.000 2.427 403 D HA 0.182 4.822 4.640 -0.000 0.000 0.224 403 D C 0.578 176.943 176.300 0.108 0.000 1.157 403 D CA 0.123 54.342 54.000 0.365 0.000 0.828 403 D CB -0.475 40.629 40.800 0.507 0.000 0.974 403 D HN 0.303 nan 8.370 nan 0.000 0.498 404 N N 0.010 118.727 118.700 0.029 0.000 2.091 404 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 404 N C 1.392 176.193 175.510 -1.181 0.000 1.021 404 N CA 1.267 53.950 53.050 -0.612 0.000 0.862 404 N CB 0.055 38.394 38.487 -0.246 0.000 1.018 404 N HN 0.044 nan 8.380 nan 0.000 0.429 405 T N 1.467 115.697 114.554 -0.539 0.000 2.869 405 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 405 T C 1.852 176.300 174.700 -0.419 0.000 1.082 405 T CA 0.687 62.529 62.100 -0.429 0.000 1.123 405 T CB -0.121 68.612 68.868 -0.226 0.000 0.856 405 T HN 0.218 nan 8.240 nan 0.000 0.499 406 L N 0.229 121.205 121.223 -0.412 0.000 2.072 406 L HA 0.018 4.357 4.340 -0.000 0.000 0.205 406 L C 2.232 178.976 176.870 -0.211 0.000 1.079 406 L CA 1.371 56.074 54.840 -0.228 0.000 0.752 406 L CB -0.443 41.567 42.059 -0.081 0.000 0.906 406 L HN 0.412 nan 8.230 nan 0.000 0.436 407 F N -2.147 117.717 119.950 -0.143 0.000 2.619 407 F HA 0.178 4.704 4.527 -0.001 0.000 0.293 407 F C 1.845 177.532 175.800 -0.189 0.000 1.119 407 F CA -0.234 57.669 58.000 -0.161 0.000 1.445 407 F CB -0.972 37.900 39.000 -0.214 0.000 1.119 407 F HN -0.188 nan 8.300 nan 0.000 0.573 408 L N 1.075 121.916 121.223 -0.636 0.000 1.958 408 L HA -0.282 4.058 4.340 -0.000 0.000 0.238 408 L C 2.402 179.290 176.870 0.031 0.000 1.092 408 L CA 1.895 56.528 54.840 -0.346 0.000 0.826 408 L CB -1.025 40.793 42.059 -0.402 0.000 0.909 408 L HN 0.073 nan 8.230 nan 0.000 0.436 409 D N 0.064 120.451 120.400 -0.022 0.000 2.248 409 D HA -0.240 4.400 4.640 -0.000 0.000 0.189 409 D C 1.682 178.029 176.300 0.078 0.000 1.011 409 D CA 2.118 56.141 54.000 0.038 0.000 0.868 409 D CB -0.568 40.226 40.800 -0.010 0.000 0.931 409 D HN 0.457 nan 8.370 nan 0.000 0.449 410 D N -0.250 120.183 120.400 0.055 0.000 2.103 410 D HA -0.147 4.493 4.640 -0.000 0.000 0.190 410 D C 1.692 178.077 176.300 0.142 0.000 0.997 410 D CA 0.642 54.685 54.000 0.071 0.000 0.833 410 D CB -0.260 40.568 40.800 0.046 0.000 0.961 410 D HN 0.120 nan 8.370 nan 0.000 0.447 411 L N -0.319 121.061 121.223 0.262 0.000 2.675 411 L HA 0.143 4.482 4.340 -0.000 0.000 0.238 411 L C 1.393 178.496 176.870 0.388 0.000 1.155 411 L CA 0.966 56.046 54.840 0.400 0.000 0.881 411 L CB -1.526 40.896 42.059 0.605 0.000 1.008 411 L HN 0.273 nan 8.230 nan 0.000 0.443 412 K N -1.643 118.936 120.400 0.299 0.000 3.299 412 K HA -0.238 4.082 4.320 -0.000 0.000 0.284 412 K C 0.112 176.809 176.600 0.161 0.000 1.235 412 K CA 1.095 57.486 56.287 0.173 0.000 0.833 412 K CB -3.286 29.257 32.500 0.072 0.000 1.330 412 K HN 0.169 nan 8.250 nan 0.000 0.510 413 F N 1.220 121.209 119.950 0.064 0.000 2.413 413 F HA 0.522 5.049 4.527 -0.000 0.000 0.359 413 F C 1.603 177.412 175.800 0.014 0.000 1.122 413 F CA -0.213 57.816 58.000 0.048 0.000 1.160 413 F CB 1.312 40.345 39.000 0.055 0.000 1.146 413 F HN 0.371 nan 8.300 nan 0.000 0.514 414 G N 3.856 112.745 108.800 0.148 0.000 2.537 414 G HA2 0.460 4.420 3.960 -0.000 0.000 0.273 414 G HA3 0.460 4.420 3.960 -0.000 0.000 0.273 414 G C -2.892 172.043 174.900 0.059 0.000 1.189 414 G CA -1.694 43.468 45.100 0.103 0.000 0.881 414 G HN 0.294 nan 8.290 nan 0.000 0.535 415 P HA 0.207 nan 4.420 nan 0.000 0.270 415 P C 0.602 177.893 177.300 -0.015 0.000 1.242 415 P CA 0.120 63.211 63.100 -0.015 0.000 0.768 415 P CB 1.048 32.749 31.700 0.000 0.000 0.820 416 G N 2.630 111.377 108.800 -0.089 0.000 2.599 416 G HA2 0.152 4.112 3.960 -0.000 0.000 0.264 416 G HA3 0.152 4.112 3.960 -0.000 0.000 0.264 416 G C 0.493 175.308 174.900 -0.141 0.000 1.200 416 G CA -0.422 44.689 45.100 0.019 0.000 0.896 416 G HN 0.491 nan 8.290 nan 0.000 0.536 417 D N -1.088 119.244 120.400 -0.114 0.000 2.339 417 D HA 0.164 4.804 4.640 -0.000 0.000 0.217 417 D C 0.999 177.192 176.300 -0.178 0.000 1.050 417 D CA 0.159 54.072 54.000 -0.146 0.000 0.856 417 D CB 0.136 40.884 40.800 -0.087 0.000 0.922 417 D HN 0.488 nan 8.370 nan 0.000 0.518 418 G N -0.763 107.932 108.800 -0.175 0.000 2.432 418 G HA2 0.552 4.512 3.960 -0.000 0.000 0.331 418 G HA3 0.552 4.512 3.960 -0.000 0.000 0.331 418 G C -1.371 173.482 174.900 -0.078 0.000 1.170 418 G CA -0.676 44.394 45.100 -0.051 0.000 0.943 418 G HN 0.024 nan 8.290 nan 0.000 0.483 419 F N -0.619 119.496 119.950 0.274 0.000 2.611 419 F HA 0.620 5.147 4.527 -0.001 0.000 0.324 419 F C -0.100 175.832 175.800 0.219 0.000 1.061 419 F CA -0.939 57.191 58.000 0.217 0.000 0.954 419 F CB 2.504 41.569 39.000 0.108 0.000 1.301 419 F HN 0.198 nan 8.300 nan 0.000 0.482 420 L N 2.062 123.454 121.223 0.282 0.000 2.381 420 L HA 0.518 4.857 4.340 -0.000 0.000 0.274 420 L C -1.403 175.388 176.870 -0.132 0.000 0.988 420 L CA -0.477 54.390 54.840 0.045 0.000 0.824 420 L CB 1.652 43.615 42.059 -0.160 0.000 1.263 420 L HN 0.718 nan 8.230 nan 0.000 0.410 421 N N 4.221 122.797 118.700 -0.207 0.000 2.408 421 N HA 0.458 5.198 4.740 -0.000 0.000 0.280 421 N C -1.375 173.764 175.510 -0.617 0.000 1.002 421 N CA -0.546 52.297 53.050 -0.345 0.000 0.907 421 N CB 1.399 39.687 38.487 -0.331 0.000 1.161 421 N HN 0.253 nan 8.380 nan 0.000 0.488 422 F N 2.112 121.824 119.950 -0.396 0.000 2.385 422 F HA 0.452 4.978 4.527 -0.000 0.000 0.336 422 F C -0.117 175.361 175.800 -0.536 0.000 1.100 422 F CA -0.335 57.488 58.000 -0.295 0.000 1.116 422 F CB 0.526 39.432 39.000 -0.158 0.000 1.166 422 F HN 0.349 nan 8.300 nan 0.000 0.511 423 Y N 1.145 121.295 120.300 -0.250 0.000 2.609 423 Y HA 0.717 5.267 4.550 -0.000 0.000 0.342 423 Y C -0.955 174.776 175.900 -0.282 0.000 1.058 423 Y CA -1.273 56.559 58.100 -0.446 0.000 1.055 423 Y CB 1.758 39.571 38.460 -1.080 0.000 1.292 423 Y HN 0.269 nan 8.280 nan 0.000 0.476 424 L N 2.076 123.379 121.223 0.133 0.000 2.381 424 L HA 0.429 4.768 4.340 -0.000 0.000 0.274 424 L C -1.371 175.791 176.870 0.487 0.000 0.988 424 L CA -0.582 54.433 54.840 0.293 0.000 0.824 424 L CB 1.867 44.041 42.059 0.192 0.000 1.263 424 L HN 0.512 nan 8.230 nan 0.000 0.410 425 F N 4.487 124.719 119.950 0.471 0.000 2.410 425 F HA 0.299 4.826 4.527 -0.000 0.000 0.349 425 F C 1.070 177.090 175.800 0.367 0.000 1.117 425 F CA -0.062 58.185 58.000 0.412 0.000 1.104 425 F CB 0.555 39.734 39.000 0.300 0.000 1.122 425 F HN 0.723 nan 8.300 nan 0.000 0.483 426 N N 5.631 124.232 118.700 -0.164 0.000 2.726 426 N HA -0.285 4.455 4.740 -0.000 0.000 0.253 426 N C -1.889 173.790 175.510 0.282 0.000 1.059 426 N CA 0.501 53.568 53.050 0.028 0.000 0.701 426 N CB -0.950 37.670 38.487 0.221 0.000 0.899 426 N HN 0.794 nan 8.380 nan 0.000 0.548 427 Y N -0.247 120.068 120.300 0.025 0.000 2.393 427 Y HA 0.263 4.813 4.550 -0.001 0.000 0.320 427 Y C -0.930 174.963 175.900 -0.012 0.000 1.241 427 Y CA -0.933 57.159 58.100 -0.013 0.000 1.122 427 Y CB 0.768 39.203 38.460 -0.041 0.000 1.322 427 Y HN 0.040 nan 8.280 nan 0.000 0.441 428 R N 4.016 124.385 120.500 -0.220 0.000 2.248 428 R HA 0.634 4.974 4.340 -0.000 0.000 0.337 428 R C -0.682 175.705 176.300 0.144 0.000 1.085 428 R CA -0.009 56.049 56.100 -0.069 0.000 0.934 428 R CB 0.651 30.841 30.300 -0.183 0.000 1.034 428 R HN 0.597 nan 8.270 nan 0.000 0.465 429 A N 3.506 126.465 122.820 0.232 0.000 2.355 429 A HA 0.464 4.784 4.320 -0.000 0.000 0.324 429 A C -0.372 177.278 177.584 0.109 0.000 1.117 429 A CA -0.847 51.330 52.037 0.232 0.000 0.785 429 A CB 1.293 20.405 19.000 0.187 0.000 1.254 429 A HN 0.506 nan 8.150 nan 0.000 0.453 430 K N 1.820 122.273 120.400 0.088 0.000 2.276 430 K HA 0.338 4.657 4.320 -0.000 0.000 0.283 430 K C -2.608 174.016 176.600 0.040 0.000 1.044 430 K CA -1.422 54.897 56.287 0.053 0.000 0.944 430 K CB 0.409 32.936 32.500 0.046 0.000 1.012 430 K HN 0.359 nan 8.250 nan 0.000 0.472 431 P HA -0.108 nan 4.420 nan 0.000 0.260 431 P C -0.385 176.921 177.300 0.011 0.000 1.172 431 P CA 0.461 63.571 63.100 0.017 0.000 0.760 431 P CB 0.306 32.015 31.700 0.017 0.000 0.773 432 I N 2.323 122.890 120.570 -0.005 0.000 3.205 432 I HA 0.579 4.749 4.170 -0.000 0.000 0.310 432 I C -0.212 175.893 176.117 -0.020 0.000 1.089 432 I CA -0.771 60.525 61.300 -0.007 0.000 1.023 432 I CB 2.081 40.072 38.000 -0.015 0.000 1.269 432 I HN 0.253 nan 8.210 nan 0.000 0.512 433 T N 1.035 115.584 114.554 -0.008 0.000 2.749 433 T HA 0.661 5.011 4.350 -0.000 0.000 0.287 433 T C -0.150 174.525 174.700 -0.042 0.000 0.970 433 T CA -0.542 61.552 62.100 -0.010 0.000 0.980 433 T CB 0.905 69.789 68.868 0.026 0.000 0.924 433 T HN 0.885 nan 8.240 nan 0.000 0.456 434 G N 1.486 110.258 108.800 -0.046 0.000 2.588 434 G HA2 0.525 4.485 3.960 -0.000 0.000 0.312 434 G HA3 0.525 4.485 3.960 -0.000 0.000 0.312 434 G C 0.942 175.832 174.900 -0.015 0.000 1.257 434 G CA -0.660 44.410 45.100 -0.049 0.000 0.994 434 G HN 1.224 nan 8.290 nan 0.000 0.498 435 G N 1.736 110.523 108.800 -0.022 0.000 3.674 435 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.199 435 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.199 435 G C 0.423 175.314 174.900 -0.016 0.000 1.066 435 G CA 0.377 45.461 45.100 -0.027 0.000 1.141 435 G HN 0.555 nan 8.290 nan 0.000 0.619 436 L N 0.226 121.447 121.223 -0.003 0.000 2.298 436 L HA 0.273 4.613 4.340 -0.000 0.000 0.284 436 L C -0.062 176.805 176.870 -0.006 0.000 1.013 436 L CA -0.979 53.865 54.840 0.007 0.000 0.824 436 L CB 1.233 43.303 42.059 0.018 0.000 1.221 436 L HN 0.047 nan 8.230 nan 0.000 0.418 437 N N 4.239 122.937 118.700 -0.003 0.000 2.415 437 N HA 0.101 4.840 4.740 -0.000 0.000 0.248 437 N C -1.781 173.724 175.510 -0.008 0.000 1.271 437 N CA -0.911 52.135 53.050 -0.006 0.000 0.913 437 N CB 0.311 38.795 38.487 -0.004 0.000 1.129 437 N HN 0.309 nan 8.380 nan 0.000 0.444 438 P HA -0.181 nan 4.420 nan 0.000 0.219 438 P C -0.349 176.941 177.300 -0.017 0.000 1.144 438 P CA 1.219 64.306 63.100 -0.022 0.000 0.806 438 P CB 0.011 31.701 31.700 -0.016 0.000 0.771 439 D N -2.181 118.219 120.400 -0.000 0.000 2.587 439 D HA 0.028 4.668 4.640 -0.000 0.000 0.233 439 D C -0.069 176.256 176.300 0.041 0.000 1.213 439 D CA -0.492 53.517 54.000 0.015 0.000 0.827 439 D CB -1.065 39.745 40.800 0.017 0.000 1.006 439 D HN -0.007 nan 8.370 nan 0.000 0.490 440 N N 0.561 119.281 118.700 0.035 0.000 2.678 440 N HA -0.188 4.551 4.740 -0.000 0.000 0.249 440 N C -0.466 175.112 175.510 0.113 0.000 1.119 440 N CA 1.176 54.285 53.050 0.099 0.000 0.718 440 N CB -1.793 36.822 38.487 0.213 0.000 1.060 440 N HN 0.572 nan 8.380 nan 0.000 0.552 441 S N -0.550 115.183 115.700 0.056 0.000 2.585 441 S HA 0.351 4.820 4.470 -0.000 0.000 0.277 441 S C 0.330 174.939 174.600 0.016 0.000 1.241 441 S CA -0.968 57.253 58.200 0.036 0.000 1.041 441 S CB 1.728 64.939 63.200 0.018 0.000 0.987 441 S HN 0.099 nan 8.310 nan 0.000 0.512 442 N N 2.519 121.217 118.700 -0.004 0.000 2.411 442 N HA -0.019 4.721 4.740 -0.000 0.000 0.261 442 N C -0.709 174.775 175.510 -0.044 0.000 1.248 442 N CA 0.442 53.469 53.050 -0.039 0.000 0.885 442 N CB 0.264 38.705 38.487 -0.078 0.000 1.062 442 N HN 0.709 nan 8.380 nan 0.000 0.471 443 D N 3.160 123.531 120.400 -0.047 0.000 2.483 443 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 443 D C 1.344 177.597 176.300 -0.079 0.000 1.173 443 D CA -0.322 53.648 54.000 -0.049 0.000 0.964 443 D CB -0.180 40.599 40.800 -0.036 0.000 1.046 443 D HN 0.453 nan 8.370 nan 0.000 0.517 444 I N 2.996 123.516 120.570 -0.083 0.000 2.454 444 I HA -0.169 4.001 4.170 -0.000 0.000 0.254 444 I C 2.346 178.390 176.117 -0.122 0.000 1.156 444 I CA 2.179 63.416 61.300 -0.106 0.000 1.433 444 I CB -1.459 36.488 38.000 -0.088 0.000 1.082 444 I HN 0.526 nan 8.210 nan 0.000 0.432 445 K N 0.644 120.983 120.400 -0.103 0.000 1.991 445 K HA 0.110 4.430 4.320 -0.000 0.000 0.208 445 K C 1.866 178.345 176.600 -0.202 0.000 1.038 445 K CA 1.000 57.216 56.287 -0.120 0.000 0.943 445 K CB -0.534 31.933 32.500 -0.056 0.000 0.736 445 K HN 0.708 nan 8.250 nan 0.000 0.440 446 R N 1.401 121.824 120.500 -0.129 0.000 2.296 446 R HA 0.230 4.570 4.340 -0.000 0.000 0.327 446 R C 0.272 176.507 176.300 -0.108 0.000 1.137 446 R CA -0.285 55.744 56.100 -0.119 0.000 1.020 446 R CB 0.230 30.527 30.300 -0.004 0.000 1.110 446 R HN 0.438 nan 8.270 nan 0.000 0.499 447 R N 0.954 121.358 120.500 -0.160 0.000 0.636 447 R HA 0.063 4.402 4.340 -0.000 0.000 0.050 447 R C 0.023 176.323 176.300 0.000 0.000 0.437 447 R CA 0.687 56.741 56.100 -0.076 0.000 2.156 447 R CB -0.128 30.134 30.300 -0.064 0.000 0.476 447 R HN 0.396 nan 8.270 nan 0.000 0.806 448 S N -0.677 115.069 115.700 0.077 0.000 2.571 448 S HA 0.261 4.731 4.470 -0.000 0.000 0.284 448 S C -0.310 174.411 174.600 0.201 0.000 1.128 448 S CA -0.806 57.441 58.200 0.079 0.000 0.970 448 S CB 1.189 64.391 63.200 0.003 0.000 1.039 448 S HN 0.337 nan 8.310 nan 0.000 0.485 449 N N 2.127 120.910 118.700 0.139 0.000 2.463 449 N HA 0.068 4.808 4.740 -0.000 0.000 0.181 449 N C 0.094 175.682 175.510 0.130 0.000 1.078 449 N CA 0.380 53.562 53.050 0.221 0.000 0.902 449 N CB 0.148 38.710 38.487 0.126 0.000 0.970 449 N HN 0.435 nan 8.380 nan 0.000 0.451 450 V N 0.638 120.497 119.914 -0.092 0.000 2.479 450 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 450 V C 1.527 177.391 176.094 -0.383 0.000 1.031 450 V CA 0.199 62.332 62.300 -0.279 0.000 1.038 450 V CB 1.086 32.577 31.823 -0.553 0.000 0.981 450 V HN 0.217 nan 8.190 nan 0.000 0.478 451 G N 3.892 112.544 108.800 -0.247 0.000 2.743 451 G HA2 0.157 4.117 3.960 -0.000 0.000 0.206 451 G HA3 0.157 4.117 3.960 -0.000 0.000 0.206 451 G C 0.548 175.505 174.900 0.095 0.000 1.115 451 G CA 0.566 45.501 45.100 -0.276 0.000 0.782 451 G HN 0.688 nan 8.290 nan 0.000 0.524 452 V N -0.927 119.083 119.914 0.159 0.000 3.319 452 V HA 0.613 4.732 4.120 -0.000 0.000 0.303 452 V C -0.105 176.150 176.094 0.269 0.000 1.094 452 V CA -0.795 61.729 62.300 0.373 0.000 1.106 452 V CB 1.464 33.481 31.823 0.324 0.000 1.099 452 V HN -0.046 nan 8.190 nan 0.000 0.476 453 V N 3.579 123.668 119.914 0.292 0.000 2.614 453 V HA 0.277 4.397 4.120 -0.000 0.000 0.281 453 V C -0.073 176.244 176.094 0.373 0.000 1.031 453 V CA -0.533 61.912 62.300 0.242 0.000 0.899 453 V CB 1.346 33.182 31.823 0.022 0.000 1.037 453 V HN 0.863 nan 8.190 nan 0.000 0.456 454 M N 4.296 124.097 119.600 0.336 0.000 2.240 454 M HA 0.357 4.837 4.480 -0.000 0.000 0.317 454 M C 0.033 176.465 176.300 0.219 0.000 1.087 454 M CA 0.577 56.018 55.300 0.235 0.000 1.176 454 M CB 0.180 32.866 32.600 0.142 0.000 1.439 454 M HN 0.380 nan 8.290 nan 0.000 0.452 455 L N 0.000 121.271 121.223 0.081 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.847 54.840 0.012 0.000 0.813 455 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502