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 1efr_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.303 176.300 0.006 0.000 2.045 24 D CA 0.000 54.004 54.000 0.006 0.000 0.868 24 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 25 L N 2.333 123.560 121.223 0.006 0.000 2.611 25 L HA 0.243 4.583 4.340 -0.000 0.000 0.229 25 L C 1.725 178.575 176.870 -0.033 0.000 1.137 25 L CA 0.230 55.066 54.840 -0.006 0.000 0.901 25 L CB 0.223 42.281 42.059 -0.002 0.000 1.098 25 L HN 0.428 nan 8.230 nan 0.000 0.456 26 E N 0.070 120.255 120.200 -0.025 0.000 2.201 26 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 26 E C 1.168 177.747 176.600 -0.034 0.000 0.957 26 E CA 0.406 56.787 56.400 -0.031 0.000 0.858 26 E CB 0.636 30.323 29.700 -0.023 0.000 0.816 26 E HN 0.318 nan 8.360 nan 0.000 0.475 27 E N -0.140 120.042 120.200 -0.031 0.000 2.562 27 E HA 0.152 4.502 4.350 -0.000 0.000 0.214 27 E C -0.419 176.156 176.600 -0.042 0.000 0.979 27 E CA 0.190 56.568 56.400 -0.035 0.000 1.002 27 E CB 1.789 31.471 29.700 -0.029 0.000 1.048 27 E HN -0.019 nan 8.360 nan 0.000 0.488 28 T N -0.417 114.116 114.554 -0.036 0.000 2.883 28 T HA 0.653 5.003 4.350 -0.000 0.000 0.301 28 T C -0.390 174.294 174.700 -0.027 0.000 1.158 28 T CA -0.650 61.428 62.100 -0.036 0.000 1.007 28 T CB 2.338 71.193 68.868 -0.021 0.000 1.186 28 T HN 0.125 nan 8.240 nan 0.000 0.499 29 G N 0.658 109.444 108.800 -0.024 0.000 2.690 29 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 29 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 29 G C -1.750 173.176 174.900 0.044 0.000 1.403 29 G CA -0.818 44.289 45.100 0.011 0.000 0.864 29 G HN 0.601 nan 8.290 nan 0.000 0.480 30 R N -0.223 120.337 120.500 0.100 0.000 2.599 30 R HA 0.529 4.869 4.340 -0.000 0.000 0.295 30 R C -0.648 175.725 176.300 0.122 0.000 0.963 30 R CA -0.766 55.394 56.100 0.099 0.000 0.883 30 R CB 2.642 32.991 30.300 0.082 0.000 1.171 30 R HN 0.322 nan 8.270 nan 0.000 0.450 31 V N 5.088 125.077 119.914 0.126 0.000 2.529 31 V HA -0.017 4.103 4.120 -0.000 0.000 0.292 31 V C 1.450 177.598 176.094 0.090 0.000 1.028 31 V CA 0.404 62.787 62.300 0.139 0.000 1.074 31 V CB 0.715 32.634 31.823 0.160 0.000 0.958 31 V HN 0.743 nan 8.190 nan 0.000 0.481 32 L N 3.813 125.089 121.223 0.089 0.000 2.162 32 L HA 0.129 4.469 4.340 -0.000 0.000 0.205 32 L C 0.891 177.784 176.870 0.038 0.000 1.086 32 L CA 0.929 55.802 54.840 0.055 0.000 0.778 32 L CB 0.138 42.238 42.059 0.067 0.000 0.928 32 L HN 0.868 nan 8.230 nan 0.000 0.446 33 S N -1.119 114.609 115.700 0.046 0.000 2.552 33 S HA 0.590 5.060 4.470 -0.000 0.000 0.272 33 S C -1.201 173.416 174.600 0.028 0.000 1.150 33 S CA -0.832 57.386 58.200 0.028 0.000 0.849 33 S CB 2.444 65.657 63.200 0.022 0.000 1.113 33 S HN -0.015 nan 8.310 nan 0.000 0.458 34 I N 0.582 121.156 120.570 0.006 0.000 2.607 34 I HA 0.914 5.084 4.170 -0.000 0.000 0.290 34 I C -0.302 175.801 176.117 -0.023 0.000 1.129 34 I CA 0.238 61.529 61.300 -0.014 0.000 1.042 34 I CB 1.420 39.394 38.000 -0.043 0.000 1.242 34 I HN 1.396 nan 8.210 nan 0.000 0.421 35 G N 4.402 113.187 108.800 -0.026 0.000 2.519 35 G HA2 0.392 4.352 3.960 -0.000 0.000 0.292 35 G HA3 0.392 4.352 3.960 -0.000 0.000 0.292 35 G C -1.146 173.739 174.900 -0.026 0.000 1.507 35 G CA -0.467 44.617 45.100 -0.026 0.000 0.806 35 G HN 0.641 nan 8.290 nan 0.000 0.523 36 D N -0.619 119.765 120.400 -0.028 0.000 2.782 36 D HA -0.206 4.434 4.640 -0.000 0.000 0.231 36 D C 1.713 177.995 176.300 -0.030 0.000 1.163 36 D CA 2.875 56.858 54.000 -0.029 0.000 0.680 36 D CB -1.112 39.671 40.800 -0.028 0.000 1.062 36 D HN 2.220 nan 8.370 nan 0.000 0.425 37 G N -1.266 107.514 108.800 -0.034 0.000 2.184 37 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 37 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 37 G C 0.253 175.146 174.900 -0.012 0.000 0.975 37 G CA 0.350 45.432 45.100 -0.030 0.000 0.642 37 G HN 0.461 nan 8.290 nan 0.000 0.536 38 I N 1.555 122.119 120.570 -0.010 0.000 2.315 38 I HA 0.668 4.838 4.170 -0.000 0.000 0.291 38 I C 0.699 176.833 176.117 0.028 0.000 1.006 38 I CA -1.054 60.256 61.300 0.017 0.000 1.265 38 I CB 0.853 38.857 38.000 0.007 0.000 1.387 38 I HN 0.345 nan 8.210 nan 0.000 0.475 39 A N 7.950 130.818 122.820 0.080 0.000 2.292 39 A HA 0.685 5.005 4.320 -0.000 0.000 0.319 39 A C 0.038 177.706 177.584 0.140 0.000 1.206 39 A CA -0.705 51.406 52.037 0.122 0.000 0.835 39 A CB 0.777 19.932 19.000 0.259 0.000 1.164 39 A HN 0.562 nan 8.150 nan 0.000 0.505 40 R N 2.468 123.036 120.500 0.113 0.000 2.287 40 R HA 0.375 4.715 4.340 -0.000 0.000 0.316 40 R C -1.030 175.340 176.300 0.117 0.000 1.050 40 R CA -0.264 55.895 56.100 0.097 0.000 0.983 40 R CB 0.832 31.172 30.300 0.066 0.000 1.140 40 R HN 0.508 nan 8.270 nan 0.000 0.528 41 V N 2.906 122.890 119.914 0.117 0.000 2.509 41 V HA 0.183 4.303 4.120 -0.000 0.000 0.284 41 V C 0.285 176.439 176.094 0.099 0.000 1.047 41 V CA -0.841 61.526 62.300 0.111 0.000 0.952 41 V CB 1.284 33.150 31.823 0.070 0.000 0.988 41 V HN 0.599 nan 8.190 nan 0.000 0.469 42 H N 2.736 121.820 119.070 0.025 0.000 2.489 42 H HA 0.665 5.221 4.556 -0.000 0.000 0.322 42 H C 0.413 175.744 175.328 0.005 0.000 1.091 42 H CA 1.161 57.218 56.048 0.014 0.000 1.291 42 H CB 1.006 30.777 29.762 0.016 0.000 1.436 42 H HN 1.111 nan 8.280 nan 0.000 0.480 43 G N 2.872 111.435 108.800 -0.396 0.000 2.451 43 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.208 43 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.208 43 G C -0.204 174.622 174.900 -0.123 0.000 1.248 43 G CA -0.470 44.505 45.100 -0.208 0.000 0.989 43 G HN 1.223 nan 8.290 nan 0.000 0.559 44 L N -0.771 120.406 121.223 -0.077 0.000 3.717 44 L HA -0.196 4.144 4.340 -0.000 0.000 0.414 44 L C 2.229 179.059 176.870 -0.067 0.000 1.228 44 L CA 0.734 55.533 54.840 -0.068 0.000 0.918 44 L CB -0.848 41.169 42.059 -0.070 0.000 1.865 44 L HN 0.667 nan 8.230 nan 0.000 0.922 45 R N 0.594 121.052 120.500 -0.070 0.000 2.211 45 R HA -0.092 4.248 4.340 -0.000 0.000 0.240 45 R C 1.422 177.696 176.300 -0.043 0.000 1.144 45 R CA 1.418 57.481 56.100 -0.061 0.000 0.992 45 R CB -0.220 30.043 30.300 -0.062 0.000 0.869 45 R HN 0.603 nan 8.270 nan 0.000 0.462 46 N N 0.308 118.984 118.700 -0.040 0.000 2.280 46 N HA -0.016 4.724 4.740 -0.000 0.000 0.192 46 N C 0.266 175.758 175.510 -0.030 0.000 1.109 46 N CA 0.154 53.185 53.050 -0.031 0.000 0.855 46 N CB 0.382 38.853 38.487 -0.028 0.000 0.974 46 N HN 0.002 nan 8.380 nan 0.000 0.482 47 V N 0.476 120.369 119.914 -0.036 0.000 2.901 47 V HA -0.013 4.107 4.120 -0.000 0.000 0.307 47 V C 0.342 176.423 176.094 -0.021 0.000 1.084 47 V CA -0.363 61.917 62.300 -0.033 0.000 1.184 47 V CB 0.072 31.872 31.823 -0.039 0.000 0.941 47 V HN 0.112 nan 8.190 nan 0.000 0.493 48 Q N 2.857 122.647 119.800 -0.016 0.000 2.215 48 Q HA 0.746 5.086 4.340 -0.000 0.000 0.256 48 Q C 0.084 176.085 176.000 0.002 0.000 0.972 48 Q CA -0.571 55.228 55.803 -0.006 0.000 0.889 48 Q CB 1.416 30.150 28.738 -0.005 0.000 1.281 48 Q HN 1.124 nan 8.270 nan 0.000 0.456 49 A N 1.349 124.176 122.820 0.012 0.000 2.546 49 A HA 0.070 4.390 4.320 -0.000 0.000 0.243 49 A C 0.066 177.668 177.584 0.030 0.000 1.063 49 A CA 0.260 52.312 52.037 0.025 0.000 0.757 49 A CB -0.394 18.626 19.000 0.033 0.000 0.991 49 A HN 0.936 nan 8.150 nan 0.000 0.503 50 E N -0.818 119.409 120.200 0.045 0.000 3.070 50 E HA -0.188 4.162 4.350 -0.000 0.000 0.285 50 E C 0.118 176.739 176.600 0.034 0.000 0.972 50 E CA 1.426 57.861 56.400 0.060 0.000 0.915 50 E CB -1.312 28.421 29.700 0.056 0.000 1.466 50 E HN 0.878 nan 8.360 nan 0.000 0.432 51 E N 0.199 120.406 120.200 0.010 0.000 2.313 51 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 51 E C -0.074 176.500 176.600 -0.043 0.000 1.038 51 E CA -0.523 55.867 56.400 -0.018 0.000 0.863 51 E CB 0.612 30.295 29.700 -0.028 0.000 1.060 51 E HN 0.028 nan 8.360 nan 0.000 0.402 52 M N 4.601 124.157 119.600 -0.073 0.000 2.143 52 M HA 0.129 4.609 4.480 -0.000 0.000 0.348 52 M C -0.144 176.070 176.300 -0.143 0.000 1.375 52 M CA -0.252 54.968 55.300 -0.135 0.000 1.124 52 M CB 0.485 32.993 32.600 -0.154 0.000 1.669 52 M HN 0.418 nan 8.290 nan 0.000 0.469 53 V N 1.784 121.590 119.914 -0.180 0.000 3.177 53 V HA 0.720 4.840 4.120 -0.000 0.000 0.319 53 V C -0.660 175.267 176.094 -0.277 0.000 1.125 53 V CA -0.793 61.372 62.300 -0.225 0.000 1.029 53 V CB 2.263 33.932 31.823 -0.257 0.000 1.119 53 V HN 0.890 nan 8.190 nan 0.000 0.452 54 E N 0.770 120.785 120.200 -0.308 0.000 2.246 54 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 54 E C -1.745 174.678 176.600 -0.294 0.000 0.880 54 E CA -0.674 55.586 56.400 -0.234 0.000 0.762 54 E CB 1.708 31.347 29.700 -0.102 0.000 1.180 54 E HN 0.637 nan 8.360 nan 0.000 0.416 55 F N 1.887 121.832 119.950 -0.008 0.000 2.382 55 F HA 0.102 4.628 4.527 -0.000 0.000 0.331 55 F C 1.964 177.767 175.800 0.005 0.000 1.121 55 F CA -0.131 57.872 58.000 0.005 0.000 1.183 55 F CB 1.217 40.226 39.000 0.015 0.000 1.207 55 F HN 0.534 nan 8.300 nan 0.000 0.555 56 S N 0.516 116.330 115.700 0.190 0.000 2.393 56 S HA -0.335 4.135 4.470 -0.000 0.000 0.235 56 S C 2.201 176.860 174.600 0.098 0.000 1.061 56 S CA 1.987 60.251 58.200 0.107 0.000 1.129 56 S CB -1.091 62.166 63.200 0.095 0.000 1.011 56 S HN 0.804 nan 8.310 nan 0.000 0.436 57 S N 1.182 116.952 115.700 0.117 0.000 2.462 57 S HA 0.072 4.542 4.470 -0.000 0.000 0.243 57 S C 1.756 176.406 174.600 0.083 0.000 1.003 57 S CA 1.482 59.732 58.200 0.083 0.000 0.970 57 S CB -0.853 62.386 63.200 0.064 0.000 0.762 57 S HN 1.352 nan 8.310 nan 0.000 0.510 58 G N -0.201 108.665 108.800 0.110 0.000 2.238 58 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 58 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 58 G C -0.147 174.821 174.900 0.113 0.000 0.996 58 G CA -0.116 45.036 45.100 0.086 0.000 0.632 58 G HN 0.473 nan 8.290 nan 0.000 0.503 59 L N 2.015 123.334 121.223 0.160 0.000 2.490 59 L HA 0.435 4.775 4.340 -0.000 0.000 0.274 59 L C 1.095 178.134 176.870 0.282 0.000 1.201 59 L CA 0.641 55.595 54.840 0.191 0.000 0.869 59 L CB 0.539 42.685 42.059 0.145 0.000 1.123 59 L HN 0.287 nan 8.230 nan 0.000 0.484 60 K N 1.115 121.611 120.400 0.160 0.000 2.155 60 K HA 0.766 5.086 4.320 -0.000 0.000 0.237 60 K C 0.095 176.782 176.600 0.145 0.000 1.040 60 K CA -0.318 55.978 56.287 0.015 0.000 0.912 60 K CB 0.690 33.036 32.500 -0.256 0.000 1.137 60 K HN 0.747 nan 8.250 nan 0.000 0.498 61 G N 0.003 108.770 108.800 -0.055 0.000 2.673 61 G HA2 0.490 4.450 3.960 -0.000 0.000 0.292 61 G HA3 0.490 4.450 3.960 -0.000 0.000 0.292 61 G C -1.894 172.972 174.900 -0.056 0.000 1.450 61 G CA -0.844 44.355 45.100 0.165 0.000 0.837 61 G HN 0.493 nan 8.290 nan 0.000 0.505 62 M N 1.306 121.000 119.600 0.156 0.000 2.197 62 M HA 0.564 5.043 4.480 -0.000 0.000 0.301 62 M C -0.574 175.808 176.300 0.137 0.000 0.987 62 M CA -0.529 54.851 55.300 0.134 0.000 0.921 62 M CB 1.747 34.535 32.600 0.314 0.000 1.569 62 M HN 0.311 nan 8.290 nan 0.000 0.431 63 S N 6.157 121.897 115.700 0.067 0.000 2.498 63 S HA 0.218 4.688 4.470 -0.000 0.000 0.314 63 S C 0.963 175.604 174.600 0.069 0.000 1.141 63 S CA -0.430 57.803 58.200 0.056 0.000 1.087 63 S CB -0.169 63.041 63.200 0.016 0.000 1.178 63 S HN 0.767 nan 8.310 nan 0.000 0.533 64 L N 1.852 123.122 121.223 0.078 0.000 2.354 64 L HA 0.181 4.521 4.340 -0.000 0.000 0.212 64 L C 0.174 177.075 176.870 0.052 0.000 1.091 64 L CA 0.536 55.419 54.840 0.071 0.000 0.828 64 L CB -0.026 42.070 42.059 0.061 0.000 0.973 64 L HN 0.400 nan 8.230 nan 0.000 0.461 65 N N 0.373 119.098 118.700 0.042 0.000 2.442 65 N HA 0.406 5.146 4.740 -0.000 0.000 0.274 65 N C -1.127 174.398 175.510 0.025 0.000 1.002 65 N CA -0.139 52.930 53.050 0.031 0.000 0.910 65 N CB 1.671 40.173 38.487 0.024 0.000 1.244 65 N HN -0.046 nan 8.380 nan 0.000 0.492 66 L N 2.097 123.333 121.223 0.021 0.000 2.283 66 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 66 L C 0.221 177.096 176.870 0.008 0.000 1.033 66 L CA -0.435 54.411 54.840 0.011 0.000 0.848 66 L CB 0.800 42.863 42.059 0.007 0.000 1.226 66 L HN 0.347 nan 8.230 nan 0.000 0.429 67 E N 3.429 123.632 120.200 0.005 0.000 2.232 67 E HA 0.328 4.678 4.350 -0.000 0.000 0.264 67 E C -1.608 174.990 176.600 -0.004 0.000 0.973 67 E CA -1.780 54.623 56.400 0.005 0.000 0.849 67 E CB 1.653 31.359 29.700 0.010 0.000 1.198 67 E HN 0.251 nan 8.360 nan 0.000 0.407 68 P HA -0.215 nan 4.420 nan 0.000 0.215 68 P C 0.507 177.800 177.300 -0.012 0.000 1.163 68 P CA 1.551 64.648 63.100 -0.006 0.000 0.894 68 P CB 0.066 31.767 31.700 0.001 0.000 0.791 69 D N -1.447 118.953 120.400 0.001 0.000 2.368 69 D HA 0.058 4.698 4.640 -0.000 0.000 0.218 69 D C -0.004 176.302 176.300 0.011 0.000 1.112 69 D CA -0.276 53.729 54.000 0.008 0.000 0.834 69 D CB -0.824 39.999 40.800 0.037 0.000 0.953 69 D HN 0.405 nan 8.370 nan 0.000 0.505 70 N N -2.150 116.546 118.700 -0.006 0.000 3.951 70 N HA 0.202 4.942 4.740 -0.000 0.000 0.222 70 N C -2.090 173.422 175.510 0.004 0.000 1.352 70 N CA -0.974 52.080 53.050 0.005 0.000 0.852 70 N CB 1.029 39.544 38.487 0.047 0.000 1.444 70 N HN -0.207 nan 8.380 nan 0.000 0.473 71 V N 0.094 120.016 119.914 0.013 0.000 2.357 71 V HA 0.754 4.873 4.120 -0.000 0.000 0.284 71 V C 0.654 176.776 176.094 0.046 0.000 1.018 71 V CA -0.443 61.868 62.300 0.018 0.000 0.841 71 V CB 1.096 32.920 31.823 0.002 0.000 0.991 71 V HN 0.881 nan 8.190 nan 0.000 0.437 72 G N 4.196 113.023 108.800 0.045 0.000 2.448 72 G HA2 0.476 4.436 3.960 -0.000 0.000 0.309 72 G HA3 0.476 4.436 3.960 -0.000 0.000 0.309 72 G C -0.462 174.486 174.900 0.080 0.000 1.027 72 G CA -0.155 44.980 45.100 0.058 0.000 1.104 72 G HN 0.523 nan 8.290 nan 0.000 0.428 73 V N 3.316 123.306 119.914 0.126 0.000 2.439 73 V HA 0.176 4.296 4.120 -0.000 0.000 0.282 73 V C 0.329 176.547 176.094 0.207 0.000 1.039 73 V CA -0.677 61.732 62.300 0.183 0.000 0.913 73 V CB 1.874 33.853 31.823 0.260 0.000 0.983 73 V HN 0.399 nan 8.190 nan 0.000 0.460 74 V N 6.405 126.450 119.914 0.218 0.000 2.356 74 V HA 0.137 4.257 4.120 -0.000 0.000 0.258 74 V C 0.242 176.551 176.094 0.359 0.000 1.065 74 V CA -0.199 62.232 62.300 0.218 0.000 0.935 74 V CB 1.325 33.264 31.823 0.193 0.000 1.061 74 V HN 0.666 nan 8.190 nan 0.000 0.484 75 V N 6.625 126.689 119.914 0.250 0.000 2.529 75 V HA 0.077 4.196 4.120 -0.000 0.000 0.292 75 V C 0.431 176.723 176.094 0.330 0.000 1.028 75 V CA 0.161 62.611 62.300 0.250 0.000 1.074 75 V CB 0.134 31.942 31.823 -0.027 0.000 0.958 75 V HN 0.657 nan 8.190 nan 0.000 0.481 76 F N 4.723 124.730 119.950 0.097 0.000 2.752 76 F HA 0.619 5.146 4.527 -0.000 0.000 0.332 76 F C 1.017 176.849 175.800 0.052 0.000 1.188 76 F CA 0.179 58.229 58.000 0.085 0.000 1.296 76 F CB 0.096 39.160 39.000 0.106 0.000 1.526 76 F HN 0.737 nan 8.300 nan 0.000 0.576 77 G N 0.325 109.210 108.800 0.143 0.000 2.336 77 G HA2 0.022 3.982 3.960 -0.000 0.000 0.286 77 G HA3 0.022 3.982 3.960 -0.000 0.000 0.286 77 G C -1.559 173.351 174.900 0.018 0.000 1.269 77 G CA -1.116 44.030 45.100 0.078 0.000 0.873 77 G HN 0.032 nan 8.290 nan 0.000 0.494 78 N N 1.317 120.018 118.700 0.002 0.000 2.430 78 N HA 0.190 4.930 4.740 -0.000 0.000 0.265 78 N C 0.943 176.422 175.510 -0.053 0.000 1.100 78 N CA 0.097 53.135 53.050 -0.020 0.000 0.961 78 N CB 1.085 39.566 38.487 -0.010 0.000 1.075 78 N HN 0.463 nan 8.380 nan 0.000 0.478 79 D N 3.123 123.483 120.400 -0.066 0.000 2.403 79 D HA -0.191 4.449 4.640 -0.000 0.000 0.227 79 D C 1.299 177.549 176.300 -0.084 0.000 0.995 79 D CA 0.472 54.411 54.000 -0.101 0.000 0.928 79 D CB 0.103 40.837 40.800 -0.110 0.000 0.887 79 D HN 0.686 nan 8.370 nan 0.000 0.529 80 K N 1.559 121.926 120.400 -0.054 0.000 2.097 80 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 80 K C 1.680 178.255 176.600 -0.041 0.000 1.049 80 K CA 0.638 56.902 56.287 -0.039 0.000 0.933 80 K CB -0.216 32.270 32.500 -0.023 0.000 0.717 80 K HN 0.210 nan 8.250 nan 0.000 0.442 81 L N 1.694 122.888 121.223 -0.050 0.000 2.675 81 L HA 0.216 4.556 4.340 -0.000 0.000 0.239 81 L C 0.328 177.161 176.870 -0.062 0.000 1.151 81 L CA 0.054 54.870 54.840 -0.040 0.000 0.905 81 L CB -0.215 41.831 42.059 -0.021 0.000 1.057 81 L HN 0.129 nan 8.230 nan 0.000 0.435 82 I N -0.247 120.264 120.570 -0.099 0.000 2.498 82 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 82 I C -0.294 175.787 176.117 -0.059 0.000 1.032 82 I CA -0.528 60.701 61.300 -0.118 0.000 1.073 82 I CB 2.026 39.840 38.000 -0.310 0.000 1.251 82 I HN -0.017 nan 8.210 nan 0.000 0.426 83 K N 3.763 124.156 120.400 -0.012 0.000 2.395 83 K HA 0.387 4.706 4.320 -0.000 0.000 0.245 83 K C -0.655 175.960 176.600 0.024 0.000 1.017 83 K CA -0.955 55.333 56.287 0.002 0.000 0.852 83 K CB 2.420 34.924 32.500 0.007 0.000 1.311 83 K HN 0.559 nan 8.250 nan 0.000 0.452 84 E N 0.078 120.289 120.200 0.018 0.000 2.452 84 E HA -0.007 4.343 4.350 -0.000 0.000 0.261 84 E C 0.518 177.138 176.600 0.033 0.000 0.987 84 E CA 1.245 57.661 56.400 0.027 0.000 0.926 84 E CB 0.193 29.901 29.700 0.013 0.000 0.934 84 E HN 0.753 nan 8.360 nan 0.000 0.452 85 G N 4.012 112.838 108.800 0.043 0.000 2.253 85 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.251 85 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.251 85 G C -0.064 174.872 174.900 0.060 0.000 0.998 85 G CA 0.181 45.306 45.100 0.041 0.000 0.621 85 G HN 0.676 nan 8.290 nan 0.000 0.524 86 D N 0.575 121.025 120.400 0.083 0.000 2.506 86 D HA 0.321 4.961 4.640 -0.000 0.000 0.234 86 D C 0.828 177.198 176.300 0.117 0.000 1.143 86 D CA 0.244 54.309 54.000 0.109 0.000 0.871 86 D CB 0.501 41.393 40.800 0.154 0.000 1.190 86 D HN 0.265 nan 8.370 nan 0.000 0.459 87 I N 2.146 122.768 120.570 0.087 0.000 2.371 87 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 87 I C -0.046 176.083 176.117 0.019 0.000 1.028 87 I CA -0.250 61.080 61.300 0.050 0.000 1.345 87 I CB 1.063 39.081 38.000 0.029 0.000 1.407 87 I HN -0.002 nan 8.210 nan 0.000 0.501 88 V N 7.038 126.928 119.914 -0.040 0.000 2.435 88 V HA 0.472 4.592 4.120 -0.000 0.000 0.290 88 V C 0.011 176.013 176.094 -0.153 0.000 1.030 88 V CA -0.942 61.244 62.300 -0.190 0.000 0.881 88 V CB 1.280 32.893 31.823 -0.350 0.000 0.983 88 V HN 0.608 nan 8.190 nan 0.000 0.445 89 K N 3.637 123.935 120.400 -0.170 0.000 2.259 89 K HA 0.635 4.955 4.320 -0.000 0.000 0.249 89 K C -0.664 175.856 176.600 -0.133 0.000 0.942 89 K CA -0.917 55.299 56.287 -0.117 0.000 0.816 89 K CB 2.297 34.750 32.500 -0.079 0.000 1.155 89 K HN 0.519 nan 8.250 nan 0.000 0.428 90 R N 1.558 121.999 120.500 -0.098 0.000 2.248 90 R HA 0.063 4.403 4.340 -0.000 0.000 0.337 90 R C 0.544 176.798 176.300 -0.077 0.000 1.085 90 R CA -0.101 55.943 56.100 -0.092 0.000 0.934 90 R CB 0.121 30.380 30.300 -0.069 0.000 1.034 90 R HN 0.792 nan 8.270 nan 0.000 0.465 91 T N -0.530 113.973 114.554 -0.084 0.000 3.009 91 T HA 0.132 4.482 4.350 -0.000 0.000 0.258 91 T C 1.061 175.729 174.700 -0.054 0.000 1.063 91 T CA 0.255 62.317 62.100 -0.064 0.000 1.139 91 T CB 0.170 69.001 68.868 -0.063 0.000 0.890 91 T HN 0.774 nan 8.240 nan 0.000 0.471 92 G N 0.762 109.526 108.800 -0.061 0.000 3.307 92 G HA2 0.439 4.399 3.960 -0.000 0.000 0.686 92 G HA3 0.439 4.399 3.960 -0.000 0.000 0.686 92 G C -0.261 174.612 174.900 -0.045 0.000 0.983 92 G CA -0.809 44.262 45.100 -0.049 0.000 0.804 92 G HN 1.596 nan 8.290 nan 0.000 0.531 93 A N 2.766 125.560 122.820 -0.044 0.000 1.346 93 A HA 0.511 4.831 4.320 -0.000 0.000 0.225 93 A C -0.194 177.369 177.584 -0.036 0.000 0.958 93 A CA 0.103 52.118 52.037 -0.037 0.000 0.740 93 A CB -0.273 18.703 19.000 -0.041 0.000 0.733 93 A HN 2.406 nan 8.150 nan 0.000 0.326 94 I N 4.138 124.694 120.570 -0.023 0.000 2.494 94 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 94 I C 0.466 176.576 176.117 -0.012 0.000 1.106 94 I CA 0.143 61.433 61.300 -0.016 0.000 1.369 94 I CB 0.564 38.557 38.000 -0.011 0.000 1.410 94 I HN 0.524 nan 8.210 nan 0.000 0.523 95 V N 8.438 128.347 119.914 -0.008 0.000 3.014 95 V HA -0.218 3.902 4.120 -0.000 0.000 0.287 95 V C 0.462 176.564 176.094 0.012 0.000 1.114 95 V CA 0.900 63.205 62.300 0.008 0.000 1.259 95 V CB -1.334 30.516 31.823 0.046 0.000 0.794 95 V HN 0.869 nan 8.190 nan 0.000 0.438 96 D N 4.698 125.106 120.400 0.012 0.000 2.497 96 D HA 0.789 5.429 4.640 -0.000 0.000 0.243 96 D C -0.331 175.983 176.300 0.023 0.000 1.039 96 D CA -0.483 53.526 54.000 0.015 0.000 1.052 96 D CB 2.394 43.199 40.800 0.007 0.000 1.344 96 D HN 0.496 nan 8.370 nan 0.000 0.553 97 V N -5.388 114.539 119.914 0.022 0.000 3.159 97 V HA 0.670 4.790 4.120 -0.000 0.000 0.308 97 V C -2.941 173.155 176.094 0.002 0.000 1.190 97 V CA -2.189 60.124 62.300 0.021 0.000 1.037 97 V CB 1.577 33.421 31.823 0.035 0.000 1.060 97 V HN 0.517 nan 8.190 nan 0.000 0.437 98 P HA 0.395 nan 4.420 nan 0.000 0.271 98 P C -0.619 176.643 177.300 -0.064 0.000 1.238 98 P CA 0.119 63.197 63.100 -0.037 0.000 0.794 98 P CB 0.997 32.675 31.700 -0.037 0.000 0.959 99 V N -1.392 118.441 119.914 -0.136 0.000 3.278 99 V HA 0.675 4.795 4.120 -0.000 0.000 0.288 99 V C -0.369 175.392 176.094 -0.554 0.000 1.514 99 V CA 0.455 62.609 62.300 -0.243 0.000 1.051 99 V CB 1.539 33.285 31.823 -0.127 0.000 1.163 99 V HN 1.089 nan 8.190 nan 0.000 0.458 100 G N 2.357 110.484 108.800 -1.121 0.000 2.603 100 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 100 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 100 G C 0.146 174.503 174.900 -0.904 0.000 1.286 100 G CA 0.134 44.092 45.100 -1.903 0.000 0.871 100 G HN 1.030 nan 8.290 nan 0.000 0.568 101 E N 0.505 120.291 120.200 -0.690 0.000 2.333 101 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 101 E C 2.005 178.545 176.600 -0.101 0.000 1.010 101 E CA 1.536 57.808 56.400 -0.213 0.000 0.841 101 E CB -0.084 29.562 29.700 -0.090 0.000 0.757 101 E HN 0.765 nan 8.360 nan 0.000 0.508 102 E N 1.200 121.312 120.200 -0.146 0.000 2.347 102 E HA -0.104 4.245 4.350 -0.000 0.000 0.196 102 E C 2.102 178.678 176.600 -0.041 0.000 1.008 102 E CA 0.434 56.791 56.400 -0.071 0.000 0.852 102 E CB -0.255 29.402 29.700 -0.070 0.000 0.783 102 E HN 0.357 nan 8.360 nan 0.000 0.505 103 L N 0.870 122.062 121.223 -0.052 0.000 2.217 103 L HA 0.029 4.369 4.340 -0.000 0.000 0.211 103 L C 1.401 178.297 176.870 0.043 0.000 1.107 103 L CA 0.364 55.202 54.840 -0.004 0.000 0.783 103 L CB -0.612 41.446 42.059 -0.003 0.000 0.919 103 L HN 0.094 nan 8.230 nan 0.000 0.442 104 L N 0.352 121.622 121.223 0.079 0.000 2.573 104 L HA -0.055 4.285 4.340 -0.000 0.000 0.290 104 L C 1.478 178.384 176.870 0.059 0.000 1.247 104 L CA 0.837 55.740 54.840 0.105 0.000 0.876 104 L CB -0.402 41.754 42.059 0.160 0.000 1.123 104 L HN 0.421 nan 8.230 nan 0.000 0.505 105 G N 1.307 110.129 108.800 0.037 0.000 2.187 105 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 105 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 105 G C 0.311 175.214 174.900 0.005 0.000 1.000 105 G CA 0.020 45.123 45.100 0.005 0.000 0.718 105 G HN 0.501 nan 8.290 nan 0.000 0.519 106 R N -1.127 119.382 120.500 0.016 0.000 2.902 106 R HA 0.752 5.092 4.340 -0.000 0.000 0.258 106 R C -0.406 175.905 176.300 0.018 0.000 1.071 106 R CA -0.893 55.215 56.100 0.014 0.000 1.024 106 R CB 1.681 31.990 30.300 0.016 0.000 1.184 106 R HN 0.269 nan 8.270 nan 0.000 0.492 107 V N 1.889 121.814 119.914 0.018 0.000 2.380 107 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 107 V C -0.122 175.989 176.094 0.030 0.000 1.015 107 V CA -0.849 61.467 62.300 0.026 0.000 0.834 107 V CB 1.451 33.286 31.823 0.020 0.000 1.009 107 V HN 0.574 nan 8.190 nan 0.000 0.428 108 V N 1.083 121.019 119.914 0.038 0.000 2.815 108 V HA 0.817 4.936 4.120 -0.000 0.000 0.314 108 V C -0.108 176.013 176.094 0.045 0.000 1.064 108 V CA -0.786 61.537 62.300 0.038 0.000 0.952 108 V CB 2.019 33.863 31.823 0.036 0.000 1.020 108 V HN 0.773 nan 8.190 nan 0.000 0.439 109 D N 3.112 123.540 120.400 0.046 0.000 2.414 109 D HA 0.376 5.015 4.640 -0.000 0.000 0.259 109 D C 1.266 177.600 176.300 0.056 0.000 1.269 109 D CA 0.153 54.184 54.000 0.052 0.000 1.028 109 D CB 0.839 41.672 40.800 0.056 0.000 1.093 109 D HN 0.806 nan 8.370 nan 0.000 0.545 110 A N -0.708 122.148 122.820 0.060 0.000 2.070 110 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 110 A C 2.194 179.828 177.584 0.085 0.000 1.159 110 A CA 0.852 52.927 52.037 0.064 0.000 0.656 110 A CB -0.769 18.263 19.000 0.053 0.000 0.800 110 A HN 0.537 nan 8.150 nan 0.000 0.453 111 L N -1.493 119.789 121.223 0.097 0.000 2.611 111 L HA 0.228 4.568 4.340 -0.000 0.000 0.229 111 L C 1.678 178.588 176.870 0.067 0.000 1.137 111 L CA 0.495 55.395 54.840 0.102 0.000 0.901 111 L CB -0.143 41.995 42.059 0.131 0.000 1.098 111 L HN 0.560 nan 8.230 nan 0.000 0.456 112 G N -0.453 108.381 108.800 0.055 0.000 2.195 112 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 112 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 112 G C 0.287 175.206 174.900 0.032 0.000 0.984 112 G CA -0.307 44.816 45.100 0.038 0.000 0.633 112 G HN 0.374 nan 8.290 nan 0.000 0.525 113 N N 1.361 120.085 118.700 0.040 0.000 2.454 113 N HA 0.439 5.179 4.740 -0.000 0.000 0.254 113 N C 0.644 176.172 175.510 0.030 0.000 1.228 113 N CA 0.852 53.923 53.050 0.034 0.000 0.900 113 N CB 1.009 39.522 38.487 0.043 0.000 1.089 113 N HN 0.766 nan 8.380 nan 0.000 0.449 114 A N 2.282 125.116 122.820 0.022 0.000 2.409 114 A HA 0.256 4.576 4.320 -0.000 0.000 0.267 114 A C 1.404 179.001 177.584 0.022 0.000 1.127 114 A CA -0.382 51.667 52.037 0.020 0.000 0.795 114 A CB -0.350 18.658 19.000 0.013 0.000 1.061 114 A HN 0.800 nan 8.150 nan 0.000 0.502 115 I N -0.413 120.171 120.570 0.023 0.000 4.082 115 I HA 0.204 4.374 4.170 -0.000 0.000 0.337 115 I C 0.461 176.588 176.117 0.017 0.000 1.352 115 I CA 0.166 61.480 61.300 0.023 0.000 1.097 115 I CB 0.268 38.285 38.000 0.028 0.000 1.048 115 I HN 0.477 nan 8.210 nan 0.000 0.393 116 D N 1.480 121.888 120.400 0.014 0.000 2.328 116 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 116 D C 1.681 177.985 176.300 0.006 0.000 1.066 116 D CA 0.429 54.434 54.000 0.008 0.000 0.861 116 D CB -0.251 40.552 40.800 0.005 0.000 0.912 116 D HN 0.432 nan 8.370 nan 0.000 0.521 117 G N 1.020 109.825 108.800 0.009 0.000 2.269 117 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.277 117 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.277 117 G C 0.781 175.684 174.900 0.005 0.000 1.008 117 G CA 0.563 45.667 45.100 0.008 0.000 0.774 117 G HN 0.475 nan 8.290 nan 0.000 0.511 118 K N 0.301 120.704 120.400 0.005 0.000 2.520 118 K HA 0.422 4.742 4.320 -0.000 0.000 0.205 118 K C 1.360 177.962 176.600 0.004 0.000 1.035 118 K CA 0.436 56.725 56.287 0.003 0.000 1.188 118 K CB -0.121 32.380 32.500 0.002 0.000 0.894 118 K HN 1.347 nan 8.250 nan 0.000 0.497 119 G N 2.430 111.233 108.800 0.005 0.000 2.699 119 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 119 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 119 G C -2.885 172.017 174.900 0.003 0.000 1.301 119 G CA -1.296 43.807 45.100 0.004 0.000 0.816 119 G HN -0.007 nan 8.290 nan 0.000 0.595 120 P HA 0.365 nan 4.420 nan 0.000 0.268 120 P C 0.767 178.065 177.300 -0.003 0.000 1.205 120 P CA -0.336 62.764 63.100 0.001 0.000 0.771 120 P CB 0.430 32.130 31.700 -0.001 0.000 0.858 121 I N -0.787 119.780 120.570 -0.005 0.000 2.496 121 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 121 I C 0.754 176.858 176.117 -0.020 0.000 1.080 121 I CA -0.304 60.988 61.300 -0.013 0.000 1.404 121 I CB -0.050 37.941 38.000 -0.015 0.000 1.403 121 I HN 0.422 nan 8.210 nan 0.000 0.539 122 G N 5.599 114.384 108.800 -0.025 0.000 3.401 122 G HA2 0.208 4.168 3.960 -0.000 0.000 0.251 122 G HA3 0.208 4.168 3.960 -0.000 0.000 0.251 122 G C 0.414 175.287 174.900 -0.044 0.000 0.960 122 G CA -0.375 44.709 45.100 -0.028 0.000 1.900 122 G HN 0.865 nan 8.290 nan 0.000 0.645 123 S N -0.291 115.379 115.700 -0.049 0.000 2.488 123 S HA 0.286 4.756 4.470 -0.000 0.000 0.278 123 S C 0.924 175.490 174.600 -0.057 0.000 1.259 123 S CA -0.488 57.670 58.200 -0.069 0.000 1.061 123 S CB 2.410 65.570 63.200 -0.065 0.000 0.910 123 S HN 0.420 nan 8.310 nan 0.000 0.491 124 K N 2.361 122.719 120.400 -0.069 0.000 2.054 124 K HA 0.311 4.631 4.320 -0.000 0.000 0.207 124 K C 1.046 177.623 176.600 -0.038 0.000 1.031 124 K CA 0.775 57.035 56.287 -0.044 0.000 0.952 124 K CB -0.232 32.247 32.500 -0.036 0.000 0.775 124 K HN 0.792 nan 8.250 nan 0.000 0.447 125 A N 1.563 124.354 122.820 -0.048 0.000 2.351 125 A HA 0.323 4.643 4.320 -0.000 0.000 0.257 125 A C -0.541 177.020 177.584 -0.039 0.000 1.087 125 A CA 0.018 52.041 52.037 -0.023 0.000 0.798 125 A CB 0.313 19.325 19.000 0.021 0.000 1.033 125 A HN 0.252 nan 8.150 nan 0.000 0.488 126 R N 0.839 121.331 120.500 -0.012 0.000 2.514 126 R HA 0.415 4.755 4.340 -0.000 0.000 0.296 126 R C -0.626 175.679 176.300 0.008 0.000 1.012 126 R CA -0.591 55.503 56.100 -0.010 0.000 0.897 126 R CB 2.398 32.693 30.300 -0.008 0.000 1.184 126 R HN 0.868 nan 8.270 nan 0.000 0.440 127 R N 1.569 122.078 120.500 0.015 0.000 2.668 127 R HA 0.391 4.731 4.340 -0.000 0.000 0.279 127 R C -0.450 175.865 176.300 0.024 0.000 0.976 127 R CA -0.713 55.404 56.100 0.028 0.000 0.978 127 R CB 1.371 31.700 30.300 0.048 0.000 1.133 127 R HN 0.431 nan 8.270 nan 0.000 0.484 128 R N 1.858 122.371 120.500 0.022 0.000 2.340 128 R HA 0.139 4.479 4.340 -0.000 0.000 0.300 128 R C -0.176 176.135 176.300 0.019 0.000 1.069 128 R CA -0.424 55.685 56.100 0.014 0.000 0.984 128 R CB 1.096 31.399 30.300 0.005 0.000 1.003 128 R HN 0.491 nan 8.270 nan 0.000 0.459 129 V N 0.666 120.591 119.914 0.017 0.000 2.715 129 V HA 0.529 4.649 4.120 -0.000 0.000 0.299 129 V C 0.639 176.713 176.094 -0.033 0.000 1.054 129 V CA -0.022 62.294 62.300 0.025 0.000 1.077 129 V CB 0.886 32.733 31.823 0.039 0.000 0.972 129 V HN 0.948 nan 8.190 nan 0.000 0.484 130 G N 3.863 112.639 108.800 -0.039 0.000 2.815 130 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.234 130 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.234 130 G C -1.067 173.793 174.900 -0.067 0.000 0.971 130 G CA 0.143 45.161 45.100 -0.136 0.000 1.124 130 G HN 1.205 nan 8.290 nan 0.000 0.435 131 L N 0.493 121.697 121.223 -0.031 0.000 2.409 131 L HA 0.654 4.994 4.340 -0.000 0.000 0.255 131 L C 0.443 177.309 176.870 -0.007 0.000 1.027 131 L CA -1.310 53.523 54.840 -0.011 0.000 0.834 131 L CB 2.089 44.153 42.059 0.009 0.000 1.426 131 L HN 0.416 nan 8.230 nan 0.000 0.411 132 K N 0.881 121.281 120.400 0.000 0.000 2.270 132 K HA 0.573 4.892 4.320 -0.000 0.000 0.276 132 K C -0.098 176.504 176.600 0.005 0.000 1.023 132 K CA -0.184 56.107 56.287 0.007 0.000 0.955 132 K CB 1.298 33.806 32.500 0.013 0.000 0.975 132 K HN 0.638 nan 8.250 nan 0.000 0.471 133 A N 4.623 127.448 122.820 0.008 0.000 2.429 133 A HA 0.259 4.579 4.320 -0.000 0.000 0.242 133 A C -2.158 175.410 177.584 -0.026 0.000 1.088 133 A CA -1.033 51.003 52.037 -0.001 0.000 0.784 133 A CB -0.525 18.478 19.000 0.006 0.000 1.038 133 A HN 0.615 nan 8.150 nan 0.000 0.501 134 P HA 0.234 nan 4.420 nan 0.000 0.271 134 P C 0.652 177.897 177.300 -0.091 0.000 1.216 134 P CA 0.399 63.433 63.100 -0.110 0.000 0.776 134 P CB 0.319 31.918 31.700 -0.168 0.000 0.881 135 G N 1.746 110.487 108.800 -0.099 0.000 2.518 135 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.284 135 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.284 135 G C 0.951 175.815 174.900 -0.059 0.000 1.362 135 G CA -0.433 44.631 45.100 -0.060 0.000 1.065 135 G HN 0.612 nan 8.290 nan 0.000 0.561 136 I N -1.101 119.451 120.570 -0.030 0.000 2.716 136 I HA -0.020 4.149 4.170 -0.000 0.000 0.259 136 I C 1.923 178.030 176.117 -0.017 0.000 1.172 136 I CA 0.438 61.728 61.300 -0.017 0.000 1.478 136 I CB 0.017 38.017 38.000 0.000 0.000 1.104 136 I HN 0.220 nan 8.210 nan 0.000 0.439 137 I N 2.325 122.885 120.570 -0.015 0.000 2.333 137 I HA -0.020 4.150 4.170 -0.000 0.000 0.246 137 I C -0.472 175.649 176.117 0.007 0.000 1.106 137 I CA 1.036 62.344 61.300 0.012 0.000 1.411 137 I CB -2.854 35.172 38.000 0.044 0.000 1.082 137 I HN 0.204 nan 8.210 nan 0.000 0.420 138 P HA -0.017 nan 4.420 nan 0.000 0.244 138 P C 0.345 177.546 177.300 -0.165 0.000 1.211 138 P CA 0.688 63.616 63.100 -0.287 0.000 0.760 138 P CB -0.053 31.051 31.700 -0.995 0.000 0.961 139 R N -0.061 120.401 120.500 -0.064 0.000 2.843 139 R HA 0.800 5.140 4.340 -0.000 0.000 0.232 139 R C -0.155 176.155 176.300 0.017 0.000 1.305 139 R CA -1.013 55.071 56.100 -0.026 0.000 1.096 139 R CB 0.970 31.251 30.300 -0.032 0.000 1.455 139 R HN -0.064 nan 8.270 nan 0.000 0.520 140 I N -1.931 118.650 120.570 0.018 0.000 2.842 140 I HA 0.151 4.321 4.170 -0.000 0.000 0.296 140 I C -1.120 175.008 176.117 0.018 0.000 1.538 140 I CA -0.274 61.041 61.300 0.025 0.000 0.994 140 I CB 2.470 40.493 38.000 0.038 0.000 1.372 140 I HN 0.488 nan 8.210 nan 0.000 0.478 141 S N 3.369 119.078 115.700 0.015 0.000 2.593 141 S HA 0.114 4.584 4.470 -0.000 0.000 0.300 141 S C -0.053 174.551 174.600 0.006 0.000 1.267 141 S CA -0.321 57.885 58.200 0.009 0.000 1.065 141 S CB 0.304 63.508 63.200 0.008 0.000 0.807 141 S HN 0.491 nan 8.310 nan 0.000 0.499 142 V N 5.239 125.154 119.914 0.001 0.000 2.434 142 V HA 0.045 4.164 4.120 -0.000 0.000 0.281 142 V C 1.178 177.263 176.094 -0.015 0.000 1.005 142 V CA 0.912 63.208 62.300 -0.006 0.000 1.089 142 V CB 0.239 32.056 31.823 -0.010 0.000 0.978 142 V HN 0.812 nan 8.190 nan 0.000 0.474 143 R N 2.306 122.793 120.500 -0.022 0.000 2.492 143 R HA 0.219 4.559 4.340 -0.000 0.000 0.219 143 R C 0.164 176.432 176.300 -0.053 0.000 0.886 143 R CA -0.151 55.932 56.100 -0.029 0.000 1.003 143 R CB 0.634 30.925 30.300 -0.015 0.000 1.345 143 R HN 0.664 nan 8.270 nan 0.000 0.631 144 E N 2.833 122.985 120.200 -0.080 0.000 2.229 144 E HA 0.161 4.511 4.350 -0.000 0.000 0.283 144 E C -2.430 174.080 176.600 -0.150 0.000 1.030 144 E CA -2.277 54.043 56.400 -0.133 0.000 0.836 144 E CB 0.803 30.376 29.700 -0.212 0.000 1.068 144 E HN -0.068 nan 8.360 nan 0.000 0.401 145 P HA -0.062 nan 4.420 nan 0.000 0.268 145 P C -0.607 176.574 177.300 -0.199 0.000 1.208 145 P CA 0.133 63.149 63.100 -0.139 0.000 0.777 145 P CB 0.485 32.114 31.700 -0.119 0.000 0.875 146 M N 2.670 122.176 119.600 -0.157 0.000 2.022 146 M HA 0.157 4.637 4.480 -0.000 0.000 0.298 146 M C -0.712 175.520 176.300 -0.114 0.000 0.909 146 M CA -0.325 54.876 55.300 -0.166 0.000 0.914 146 M CB 0.774 33.302 32.600 -0.120 0.000 1.486 146 M HN 0.349 nan 8.290 nan 0.000 0.415 147 Q N 2.099 121.824 119.800 -0.125 0.000 2.261 147 Q HA 0.290 4.630 4.340 -0.000 0.000 0.252 147 Q C 1.005 177.018 176.000 0.022 0.000 0.915 147 Q CA -0.092 55.695 55.803 -0.027 0.000 0.915 147 Q CB 1.177 29.933 28.738 0.031 0.000 1.204 147 Q HN 0.756 nan 8.270 nan 0.000 0.421 148 T N -1.765 112.802 114.554 0.022 0.000 3.031 148 T HA 0.192 4.542 4.350 -0.000 0.000 0.254 148 T C 1.280 176.004 174.700 0.039 0.000 1.060 148 T CA 0.635 62.751 62.100 0.027 0.000 1.135 148 T CB 0.128 69.002 68.868 0.009 0.000 0.896 148 T HN 0.908 nan 8.240 nan 0.000 0.472 149 G N 1.500 110.325 108.800 0.042 0.000 2.194 149 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.236 149 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.236 149 G C 0.007 174.917 174.900 0.017 0.000 0.987 149 G CA -0.036 45.084 45.100 0.034 0.000 0.635 149 G HN 0.649 nan 8.290 nan 0.000 0.520 150 I N 1.681 122.258 120.570 0.012 0.000 2.297 150 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 150 I C 1.606 177.729 176.117 0.010 0.000 1.033 150 I CA -0.684 60.618 61.300 0.004 0.000 1.253 150 I CB 1.257 39.255 38.000 -0.004 0.000 1.396 150 I HN 0.024 nan 8.210 nan 0.000 0.476 151 K N 4.582 124.989 120.400 0.011 0.000 2.015 151 K HA -0.269 4.051 4.320 -0.000 0.000 0.216 151 K C 2.135 178.743 176.600 0.013 0.000 1.052 151 K CA 1.945 58.241 56.287 0.015 0.000 0.937 151 K CB -0.317 32.194 32.500 0.018 0.000 0.719 151 K HN 0.796 nan 8.250 nan 0.000 0.446 152 A N 1.204 124.030 122.820 0.011 0.000 1.873 152 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 152 A C 2.492 180.085 177.584 0.014 0.000 1.193 152 A CA 2.086 54.130 52.037 0.013 0.000 0.629 152 A CB -0.952 18.057 19.000 0.015 0.000 0.826 152 A HN 0.110 nan 8.150 nan 0.000 0.447 153 V N 0.526 120.447 119.914 0.011 0.000 2.237 153 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 153 V C 2.179 178.278 176.094 0.008 0.000 1.046 153 V CA 2.295 64.601 62.300 0.010 0.000 1.007 153 V CB -0.963 30.863 31.823 0.006 0.000 0.638 153 V HN 0.494 nan 8.190 nan 0.000 0.445 154 D N 0.348 120.753 120.400 0.008 0.000 2.221 154 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 154 D C 2.358 178.663 176.300 0.008 0.000 0.982 154 D CA 1.756 55.760 54.000 0.007 0.000 0.857 154 D CB -0.088 40.720 40.800 0.013 0.000 0.934 154 D HN 0.643 nan 8.370 nan 0.000 0.475 155 S N -0.709 114.997 115.700 0.011 0.000 2.452 155 S HA 0.071 4.541 4.470 -0.000 0.000 0.225 155 S C 1.873 176.479 174.600 0.009 0.000 1.057 155 S CA 0.023 58.230 58.200 0.012 0.000 0.949 155 S CB -0.151 63.058 63.200 0.014 0.000 0.836 155 S HN 0.184 nan 8.310 nan 0.000 0.518 156 L N 1.065 122.295 121.223 0.011 0.000 2.664 156 L HA 0.447 4.787 4.340 -0.000 0.000 0.233 156 L C -0.067 176.810 176.870 0.013 0.000 1.113 156 L CA -0.075 54.772 54.840 0.012 0.000 0.896 156 L CB 0.938 43.006 42.059 0.016 0.000 1.163 156 L HN 0.171 nan 8.230 nan 0.000 0.497 157 V N -0.678 119.242 119.914 0.011 0.000 3.098 157 V HA 0.186 4.306 4.120 -0.000 0.000 0.416 157 V C -2.435 173.661 176.094 0.004 0.000 1.449 157 V CA -0.974 61.333 62.300 0.012 0.000 1.486 157 V CB 0.118 31.953 31.823 0.019 0.000 1.277 157 V HN 0.013 nan 8.190 nan 0.000 0.623 158 P HA -0.005 nan 4.420 nan 0.000 0.261 158 P C -0.482 176.810 177.300 -0.014 0.000 1.165 158 P CA 0.824 63.918 63.100 -0.009 0.000 0.759 158 P CB 0.549 32.242 31.700 -0.011 0.000 0.772 159 I N 2.475 123.031 120.570 -0.023 0.000 2.377 159 I HA 0.498 4.668 4.170 -0.000 0.000 0.293 159 I C 1.149 177.238 176.117 -0.048 0.000 0.987 159 I CA -0.581 60.701 61.300 -0.030 0.000 1.185 159 I CB 0.961 38.942 38.000 -0.031 0.000 1.341 159 I HN 0.340 nan 8.210 nan 0.000 0.455 160 G N 5.371 114.144 108.800 -0.046 0.000 2.471 160 G HA2 0.555 4.515 3.960 -0.000 0.000 0.332 160 G HA3 0.555 4.515 3.960 -0.000 0.000 0.332 160 G C -0.349 174.511 174.900 -0.067 0.000 1.176 160 G CA -0.935 44.129 45.100 -0.061 0.000 0.949 160 G HN 0.526 nan 8.290 nan 0.000 0.488 161 R N -0.148 120.297 120.500 -0.092 0.000 2.401 161 R HA 0.409 4.749 4.340 -0.000 0.000 0.299 161 R C 1.123 177.411 176.300 -0.020 0.000 1.064 161 R CA 0.912 56.963 56.100 -0.081 0.000 1.000 161 R CB 0.789 30.989 30.300 -0.167 0.000 0.973 161 R HN 1.120 nan 8.270 nan 0.000 0.438 162 G N 1.596 110.398 108.800 0.002 0.000 2.213 162 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.226 162 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.226 162 G C 0.243 175.147 174.900 0.006 0.000 0.992 162 G CA 0.086 45.196 45.100 0.017 0.000 0.632 162 G HN 0.605 nan 8.290 nan 0.000 0.511 163 Q N 0.108 119.904 119.800 -0.006 0.000 2.471 163 Q HA 0.636 4.976 4.340 -0.000 0.000 0.223 163 Q C -0.159 175.840 176.000 -0.003 0.000 1.045 163 Q CA -0.255 55.545 55.803 -0.006 0.000 0.956 163 Q CB 0.344 29.074 28.738 -0.013 0.000 1.249 163 Q HN 0.332 nan 8.270 nan 0.000 0.549 164 R N 1.925 122.425 120.500 0.000 0.000 2.412 164 R HA 0.292 4.632 4.340 -0.000 0.000 0.304 164 R C -1.578 174.722 176.300 -0.000 0.000 1.066 164 R CA -0.513 55.588 56.100 0.003 0.000 0.923 164 R CB 1.574 31.878 30.300 0.007 0.000 1.156 164 R HN 0.466 nan 8.270 nan 0.000 0.513 165 E N 2.581 122.778 120.200 -0.005 0.000 2.176 165 E HA 0.353 4.702 4.350 -0.000 0.000 0.267 165 E C -1.393 175.205 176.600 -0.004 0.000 0.893 165 E CA -0.911 55.488 56.400 -0.002 0.000 0.761 165 E CB 1.129 30.827 29.700 -0.004 0.000 1.133 165 E HN 0.401 nan 8.360 nan 0.000 0.409 166 L N 5.589 126.813 121.223 0.001 0.000 2.305 166 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 166 L C -0.968 175.904 176.870 0.002 0.000 1.085 166 L CA -0.095 54.742 54.840 -0.004 0.000 0.813 166 L CB 0.625 42.684 42.059 -0.001 0.000 1.157 166 L HN 0.629 nan 8.230 nan 0.000 0.436 167 I N 6.817 127.379 120.570 -0.013 0.000 2.321 167 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 167 I C -0.335 175.764 176.117 -0.031 0.000 0.998 167 I CA -0.195 61.093 61.300 -0.019 0.000 1.227 167 I CB 1.207 39.192 38.000 -0.026 0.000 1.368 167 I HN 0.561 nan 8.210 nan 0.000 0.466 168 I N 5.229 125.777 120.570 -0.037 0.000 2.619 168 I HA 0.847 5.017 4.170 -0.000 0.000 0.292 168 I C -0.358 175.646 176.117 -0.189 0.000 1.100 168 I CA 0.038 61.306 61.300 -0.053 0.000 1.043 168 I CB 1.952 39.976 38.000 0.040 0.000 1.239 168 I HN 0.735 nan 8.210 nan 0.000 0.420 169 G N 5.242 113.922 108.800 -0.200 0.000 2.428 169 G HA2 0.236 4.196 3.960 -0.000 0.000 0.304 169 G HA3 0.236 4.196 3.960 -0.000 0.000 0.304 169 G C -1.889 172.898 174.900 -0.188 0.000 1.303 169 G CA -0.581 44.316 45.100 -0.337 0.000 0.825 169 G HN 0.473 nan 8.290 nan 0.000 0.484 170 D N 0.136 120.424 120.400 -0.187 0.000 2.433 170 D HA 0.388 5.028 4.640 -0.000 0.000 0.255 170 D C 0.974 177.210 176.300 -0.106 0.000 1.226 170 D CA -0.272 53.667 54.000 -0.102 0.000 1.015 170 D CB 0.633 41.394 40.800 -0.065 0.000 1.091 170 D HN 0.660 nan 8.370 nan 0.000 0.527 171 R N -0.228 120.230 120.500 -0.070 0.000 2.756 171 R HA 0.029 4.368 4.340 -0.000 0.000 0.264 171 R C -0.308 175.921 176.300 -0.118 0.000 1.026 171 R CA -0.151 55.907 56.100 -0.070 0.000 1.121 171 R CB -0.334 29.944 30.300 -0.037 0.000 0.999 171 R HN 0.301 nan 8.270 nan 0.000 0.449 172 Q N -0.205 119.517 119.800 -0.130 0.000 2.437 172 Q HA -0.217 4.123 4.340 -0.000 0.000 0.354 172 Q C 0.146 175.917 176.000 -0.381 0.000 1.402 172 Q CA 1.186 56.866 55.803 -0.206 0.000 1.020 172 Q CB -1.348 27.291 28.738 -0.165 0.000 1.220 172 Q HN 0.978 nan 8.270 nan 0.000 0.368 173 T N -4.867 109.482 114.554 -0.341 0.000 2.975 173 T HA 0.458 4.808 4.350 -0.000 0.000 0.257 173 T C 1.212 175.713 174.700 -0.332 0.000 1.003 173 T CA 0.509 62.350 62.100 -0.432 0.000 0.932 173 T CB 1.114 69.805 68.868 -0.295 0.000 1.087 173 T HN 1.041 nan 8.240 nan 0.000 0.512 174 G N 1.481 110.150 108.800 -0.218 0.000 2.159 174 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.170 174 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.170 174 G C 0.689 175.548 174.900 -0.068 0.000 1.007 174 G CA 0.206 45.249 45.100 -0.094 0.000 0.672 174 G HN 0.486 nan 8.290 nan 0.000 0.507 175 K N -0.063 120.288 120.400 -0.083 0.000 2.001 175 K HA -0.111 4.209 4.320 -0.000 0.000 0.214 175 K C 2.533 179.121 176.600 -0.021 0.000 1.050 175 K CA 2.195 58.448 56.287 -0.057 0.000 0.934 175 K CB -0.388 32.074 32.500 -0.063 0.000 0.718 175 K HN 0.299 nan 8.250 nan 0.000 0.443 176 T N 0.768 115.322 114.554 -0.001 0.000 2.881 176 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 176 T C 1.971 176.679 174.700 0.013 0.000 1.068 176 T CA 1.285 63.414 62.100 0.048 0.000 1.131 176 T CB -0.150 68.772 68.868 0.091 0.000 0.871 176 T HN 0.159 nan 8.240 nan 0.000 0.479 177 S N 1.351 117.033 115.700 -0.031 0.000 2.368 177 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 177 S C 2.031 176.585 174.600 -0.077 0.000 1.030 177 S CA 0.759 58.907 58.200 -0.086 0.000 0.999 177 S CB -0.320 62.813 63.200 -0.110 0.000 0.844 177 S HN 0.359 nan 8.310 nan 0.000 0.459 178 I N 2.279 122.822 120.570 -0.044 0.000 2.091 178 I HA -0.219 3.951 4.170 -0.000 0.000 0.239 178 I C 2.788 178.899 176.117 -0.010 0.000 1.061 178 I CA 1.613 62.895 61.300 -0.030 0.000 1.317 178 I CB -1.940 36.048 38.000 -0.020 0.000 1.031 178 I HN 0.251 nan 8.210 nan 0.000 0.401 179 A N 1.329 124.159 122.820 0.016 0.000 1.883 179 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 179 A C 2.283 179.894 177.584 0.045 0.000 1.186 179 A CA 1.469 53.533 52.037 0.046 0.000 0.624 179 A CB -0.668 18.392 19.000 0.100 0.000 0.822 179 A HN 0.305 nan 8.150 nan 0.000 0.444 180 I N 0.582 121.165 120.570 0.021 0.000 2.127 180 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 180 I C 1.964 178.085 176.117 0.006 0.000 1.075 180 I CA 1.930 63.226 61.300 -0.007 0.000 1.334 180 I CB -1.720 36.263 38.000 -0.028 0.000 1.040 180 I HN 0.283 nan 8.210 nan 0.000 0.405 181 D N 0.536 120.918 120.400 -0.029 0.000 2.133 181 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 181 D C 2.204 178.519 176.300 0.026 0.000 0.997 181 D CA 1.666 55.655 54.000 -0.017 0.000 0.840 181 D CB -0.301 40.464 40.800 -0.059 0.000 0.947 181 D HN 0.269 nan 8.370 nan 0.000 0.452 182 T N 0.715 115.284 114.554 0.025 0.000 2.635 182 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 182 T C 2.161 176.908 174.700 0.079 0.000 1.040 182 T CA 0.867 62.992 62.100 0.042 0.000 1.156 182 T CB -0.311 68.573 68.868 0.027 0.000 0.863 182 T HN 0.177 nan 8.240 nan 0.000 0.430 183 I N 0.842 121.467 120.570 0.090 0.000 2.127 183 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 183 I C 2.334 178.597 176.117 0.243 0.000 1.075 183 I CA 1.020 62.414 61.300 0.157 0.000 1.334 183 I CB -0.512 37.547 38.000 0.098 0.000 1.040 183 I HN 0.193 nan 8.210 nan 0.000 0.405 184 I N 1.062 121.722 120.570 0.150 0.000 2.087 184 I HA -0.371 3.798 4.170 -0.000 0.000 0.240 184 I C 2.350 178.575 176.117 0.179 0.000 1.054 184 I CA 1.975 63.372 61.300 0.162 0.000 1.311 184 I CB -1.798 36.264 38.000 0.104 0.000 1.024 184 I HN 0.368 nan 8.210 nan 0.000 0.402 185 N N 1.013 119.778 118.700 0.109 0.000 2.182 185 N HA -0.254 4.486 4.740 -0.000 0.000 0.192 185 N C 1.642 177.181 175.510 0.049 0.000 1.007 185 N CA 1.413 54.502 53.050 0.066 0.000 0.873 185 N CB -0.056 38.483 38.487 0.087 0.000 0.998 185 N HN 0.319 nan 8.380 nan 0.000 0.436 186 Q N 0.233 120.084 119.800 0.084 0.000 2.439 186 Q HA -0.094 4.246 4.340 -0.000 0.000 0.211 186 Q C 1.658 177.466 176.000 -0.320 0.000 0.978 186 Q CA 0.644 56.435 55.803 -0.020 0.000 0.897 186 Q CB -0.242 28.367 28.738 -0.214 0.000 0.956 186 Q HN 0.549 nan 8.270 nan 0.000 0.483 187 K N 1.209 121.464 120.400 -0.241 0.000 2.147 187 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 187 K C 1.842 178.273 176.600 -0.282 0.000 1.049 187 K CA 0.854 57.022 56.287 -0.198 0.000 0.936 187 K CB 0.144 32.693 32.500 0.082 0.000 0.722 187 K HN 0.177 nan 8.250 nan 0.000 0.446 188 R N -0.427 119.794 120.500 -0.465 0.000 2.103 188 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 188 R C 2.084 177.986 176.300 -0.664 0.000 1.142 188 R CA 1.933 57.633 56.100 -0.666 0.000 0.960 188 R CB -0.526 29.146 30.300 -1.046 0.000 0.858 188 R HN 0.220 nan 8.270 nan 0.000 0.439 189 F N 0.564 120.416 119.950 -0.165 0.000 2.569 189 F HA 0.151 4.678 4.527 -0.000 0.000 0.295 189 F C 1.896 177.573 175.800 -0.205 0.000 1.115 189 F CA 0.060 57.959 58.000 -0.169 0.000 1.450 189 F CB -0.357 38.534 39.000 -0.182 0.000 1.107 189 F HN -0.108 nan 8.300 nan 0.000 0.563 190 N N 0.430 119.032 118.700 -0.163 0.000 2.270 190 N HA -0.120 4.620 4.740 -0.000 0.000 0.181 190 N C 1.046 176.505 175.510 -0.085 0.000 1.016 190 N CA 1.171 54.090 53.050 -0.219 0.000 0.870 190 N CB -0.316 37.864 38.487 -0.511 0.000 0.979 190 N HN 0.246 nan 8.380 nan 0.000 0.431 191 D N 0.040 120.391 120.400 -0.081 0.000 2.347 191 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 191 D C 1.170 177.455 176.300 -0.025 0.000 0.985 191 D CA 0.221 54.201 54.000 -0.034 0.000 0.879 191 D CB -0.042 40.736 40.800 -0.038 0.000 0.919 191 D HN 0.123 nan 8.370 nan 0.000 0.526 192 G N 0.006 108.787 108.800 -0.032 0.000 2.621 192 G HA2 0.243 4.202 3.960 -0.000 0.000 0.271 192 G HA3 0.243 4.202 3.960 -0.000 0.000 0.271 192 G C 1.125 176.034 174.900 0.016 0.000 1.236 192 G CA 0.182 45.277 45.100 -0.009 0.000 0.958 192 G HN 0.098 nan 8.290 nan 0.000 0.512 193 T N -1.819 112.748 114.554 0.021 0.000 3.010 193 T HA 0.031 4.381 4.350 -0.000 0.000 0.252 193 T C 0.888 175.611 174.700 0.038 0.000 1.047 193 T CA 0.440 62.557 62.100 0.029 0.000 1.140 193 T CB -0.040 68.841 68.868 0.022 0.000 0.885 193 T HN 0.406 nan 8.240 nan 0.000 0.464 194 D N 2.356 122.780 120.400 0.040 0.000 2.383 194 D HA 0.030 4.670 4.640 -0.000 0.000 0.275 194 D C 0.650 176.981 176.300 0.052 0.000 1.344 194 D CA 0.170 54.197 54.000 0.044 0.000 0.984 194 D CB 0.585 41.412 40.800 0.046 0.000 1.104 194 D HN 0.381 nan 8.370 nan 0.000 0.524 195 E N 2.079 122.313 120.200 0.058 0.000 2.482 195 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 195 E C 1.127 177.783 176.600 0.094 0.000 1.047 195 E CA 0.472 56.918 56.400 0.077 0.000 0.869 195 E CB 0.359 30.112 29.700 0.088 0.000 0.836 195 E HN 0.339 nan 8.360 nan 0.000 0.520 196 K N -0.147 120.302 120.400 0.082 0.000 2.404 196 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 196 K C 1.198 177.840 176.600 0.071 0.000 1.023 196 K CA 0.354 56.715 56.287 0.123 0.000 1.094 196 K CB 0.453 33.015 32.500 0.103 0.000 0.841 196 K HN -0.090 nan 8.250 nan 0.000 0.523 197 K N 0.367 120.761 120.400 -0.009 0.000 2.367 197 K HA 0.101 4.420 4.320 -0.000 0.000 0.195 197 K C -0.193 176.293 176.600 -0.191 0.000 1.060 197 K CA 0.069 56.258 56.287 -0.165 0.000 1.022 197 K CB 0.596 33.004 32.500 -0.153 0.000 0.894 197 K HN -0.009 nan 8.250 nan 0.000 0.540 198 K N 1.501 121.854 120.400 -0.078 0.000 2.414 198 K HA 0.094 4.414 4.320 -0.000 0.000 0.272 198 K C -0.498 175.930 176.600 -0.287 0.000 0.993 198 K CA -0.001 56.168 56.287 -0.197 0.000 0.964 198 K CB 0.489 32.863 32.500 -0.209 0.000 0.925 198 K HN -0.133 nan 8.250 nan 0.000 0.487 199 L N 3.632 124.571 121.223 -0.473 0.000 2.504 199 L HA 0.266 4.606 4.340 -0.000 0.000 0.265 199 L C -1.603 174.950 176.870 -0.528 0.000 0.975 199 L CA -0.433 54.174 54.840 -0.388 0.000 0.864 199 L CB 0.649 42.557 42.059 -0.251 0.000 1.212 199 L HN 0.428 nan 8.230 nan 0.000 0.416 200 Y N 3.039 123.210 120.300 -0.215 0.000 2.411 200 Y HA 0.354 4.904 4.550 -0.000 0.000 0.333 200 Y C 0.760 176.545 175.900 -0.192 0.000 1.186 200 Y CA 0.098 58.018 58.100 -0.301 0.000 1.381 200 Y CB 0.550 38.434 38.460 -0.961 0.000 1.273 200 Y HN 0.520 nan 8.280 nan 0.000 0.546 201 C N 4.087 123.445 119.300 0.097 0.000 2.435 201 C HA 0.741 5.201 4.460 -0.000 0.000 0.333 201 C C -0.253 174.767 174.990 0.049 0.000 1.202 201 C CA -1.004 58.058 59.018 0.073 0.000 1.830 201 C CB 0.353 28.181 27.740 0.147 0.000 2.326 201 C HN 0.591 nan 8.230 nan 0.000 0.507 202 I N 2.029 122.614 120.570 0.025 0.000 2.500 202 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 202 I C -0.937 175.189 176.117 0.016 0.000 1.063 202 I CA -0.200 61.115 61.300 0.024 0.000 1.062 202 I CB 0.915 38.912 38.000 -0.005 0.000 1.223 202 I HN 0.632 nan 8.210 nan 0.000 0.435 203 Y N 6.993 127.255 120.300 -0.063 0.000 2.334 203 Y HA 0.700 5.249 4.550 -0.000 0.000 0.336 203 Y C -0.843 175.028 175.900 -0.048 0.000 0.960 203 Y CA -0.844 57.214 58.100 -0.070 0.000 1.164 203 Y CB 1.196 39.627 38.460 -0.047 0.000 1.155 203 Y HN 0.293 nan 8.280 nan 0.000 0.478 204 V N 6.154 125.797 119.914 -0.451 0.000 2.350 204 V HA 0.664 4.784 4.120 -0.000 0.000 0.276 204 V C 0.032 175.886 176.094 -0.400 0.000 1.028 204 V CA -0.687 61.454 62.300 -0.265 0.000 0.860 204 V CB 0.788 32.549 31.823 -0.103 0.000 0.990 204 V HN 0.912 nan 8.190 nan 0.000 0.453 205 A N 7.126 129.862 122.820 -0.141 0.000 2.249 205 A HA 0.836 5.155 4.320 -0.000 0.000 0.314 205 A C -0.443 177.131 177.584 -0.016 0.000 1.290 205 A CA -0.408 51.604 52.037 -0.041 0.000 0.893 205 A CB 0.147 19.249 19.000 0.170 0.000 1.165 205 A HN 0.815 nan 8.150 nan 0.000 0.530 206 I N 2.226 122.778 120.570 -0.030 0.000 2.382 206 I HA 0.522 4.691 4.170 -0.000 0.000 0.286 206 I C 1.153 177.276 176.117 0.010 0.000 1.002 206 I CA -0.212 61.082 61.300 -0.009 0.000 1.135 206 I CB 1.603 39.588 38.000 -0.025 0.000 1.288 206 I HN 0.942 nan 8.210 nan 0.000 0.448 207 G N 3.974 112.787 108.800 0.022 0.000 2.153 207 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 207 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 207 G C 0.149 175.067 174.900 0.029 0.000 0.994 207 G CA -0.066 45.050 45.100 0.026 0.000 0.698 207 G HN 0.668 nan 8.290 nan 0.000 0.521 208 Q N -0.017 119.805 119.800 0.036 0.000 2.260 208 Q HA 0.470 4.810 4.340 -0.000 0.000 0.238 208 Q C 0.816 176.839 176.000 0.038 0.000 0.948 208 Q CA -0.269 55.560 55.803 0.043 0.000 0.895 208 Q CB 0.779 29.557 28.738 0.067 0.000 1.218 208 Q HN 0.625 nan 8.270 nan 0.000 0.470 209 K N 0.805 121.225 120.400 0.034 0.000 2.202 209 K HA 0.191 4.511 4.320 -0.000 0.000 0.264 209 K C 0.378 176.996 176.600 0.030 0.000 1.010 209 K CA -0.460 55.844 56.287 0.028 0.000 0.940 209 K CB 0.964 33.477 32.500 0.022 0.000 0.983 209 K HN 0.452 nan 8.250 nan 0.000 0.475 210 R N 0.996 121.512 120.500 0.026 0.000 2.105 210 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 210 R C 2.036 178.348 176.300 0.019 0.000 1.135 210 R CA 1.904 58.018 56.100 0.024 0.000 0.967 210 R CB -0.567 29.745 30.300 0.021 0.000 0.861 210 R HN 0.761 nan 8.270 nan 0.000 0.442 211 S N 0.470 116.179 115.700 0.016 0.000 2.399 211 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 211 S C 1.933 176.539 174.600 0.010 0.000 1.022 211 S CA 1.743 59.950 58.200 0.011 0.000 0.983 211 S CB -0.349 62.857 63.200 0.010 0.000 0.803 211 S HN 0.334 nan 8.310 nan 0.000 0.480 212 T N 2.383 116.948 114.554 0.018 0.000 2.777 212 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 212 T C 1.994 176.701 174.700 0.012 0.000 1.040 212 T CA 1.226 63.337 62.100 0.020 0.000 1.141 212 T CB -0.429 68.459 68.868 0.033 0.000 0.868 212 T HN 0.258 nan 8.240 nan 0.000 0.444 213 V N 1.867 121.796 119.914 0.024 0.000 2.358 213 V HA -0.122 3.997 4.120 -0.000 0.000 0.246 213 V C 2.936 179.021 176.094 -0.015 0.000 1.047 213 V CA 1.528 63.838 62.300 0.017 0.000 1.035 213 V CB -1.327 30.527 31.823 0.052 0.000 0.658 213 V HN 0.505 nan 8.190 nan 0.000 0.452 214 A N -0.567 122.250 122.820 -0.006 0.000 1.892 214 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 214 A C 2.229 179.796 177.584 -0.028 0.000 1.188 214 A CA 1.918 53.947 52.037 -0.014 0.000 0.631 214 A CB -0.503 18.493 19.000 -0.006 0.000 0.822 214 A HN 0.543 nan 8.150 nan 0.000 0.447 215 Q N -0.823 118.962 119.800 -0.024 0.000 2.020 215 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 215 Q C 2.195 178.166 176.000 -0.049 0.000 0.982 215 Q CA 1.135 56.921 55.803 -0.029 0.000 0.838 215 Q CB -0.686 28.044 28.738 -0.013 0.000 0.899 215 Q HN 0.596 nan 8.270 nan 0.000 0.423 216 L N 1.341 122.526 121.223 -0.063 0.000 1.971 216 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 216 L C 2.541 179.330 176.870 -0.133 0.000 1.072 216 L CA 2.302 57.070 54.840 -0.121 0.000 0.758 216 L CB -1.331 40.612 42.059 -0.192 0.000 0.889 216 L HN 0.221 nan 8.230 nan 0.000 0.433 217 V N -1.694 118.151 119.914 -0.114 0.000 2.392 217 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 217 V C 2.676 178.719 176.094 -0.086 0.000 1.059 217 V CA 2.154 64.394 62.300 -0.101 0.000 1.051 217 V CB -1.033 30.749 31.823 -0.067 0.000 0.658 217 V HN 0.507 nan 8.190 nan 0.000 0.455 218 K N 0.547 120.903 120.400 -0.072 0.000 2.002 218 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 218 K C 2.479 179.029 176.600 -0.084 0.000 1.048 218 K CA 2.120 58.365 56.287 -0.069 0.000 0.930 218 K CB -0.302 32.162 32.500 -0.060 0.000 0.714 218 K HN 0.405 nan 8.250 nan 0.000 0.438 219 R N 1.141 121.587 120.500 -0.089 0.000 2.103 219 R HA -0.086 4.254 4.340 -0.000 0.000 0.242 219 R C 2.245 178.496 176.300 -0.082 0.000 1.142 219 R CA 1.478 57.518 56.100 -0.100 0.000 0.960 219 R CB -0.634 29.629 30.300 -0.062 0.000 0.858 219 R HN 0.315 nan 8.270 nan 0.000 0.439 220 L N -0.955 120.213 121.223 -0.092 0.000 2.109 220 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 220 L C 2.072 178.875 176.870 -0.112 0.000 1.086 220 L CA 1.687 56.461 54.840 -0.110 0.000 0.760 220 L CB -0.505 41.463 42.059 -0.152 0.000 0.910 220 L HN 0.270 nan 8.230 nan 0.000 0.437 221 T N -1.172 113.324 114.554 -0.096 0.000 2.737 221 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 221 T C 1.400 176.058 174.700 -0.070 0.000 1.038 221 T CA 1.309 63.360 62.100 -0.082 0.000 1.144 221 T CB -0.246 68.583 68.868 -0.065 0.000 0.866 221 T HN 0.267 nan 8.240 nan 0.000 0.434 222 D N 1.640 121.997 120.400 -0.072 0.000 2.221 222 D HA -0.029 4.611 4.640 -0.000 0.000 0.204 222 D C 1.933 178.199 176.300 -0.057 0.000 0.982 222 D CA 1.044 55.004 54.000 -0.068 0.000 0.857 222 D CB -0.265 40.481 40.800 -0.090 0.000 0.934 222 D HN 0.461 nan 8.370 nan 0.000 0.475 223 A N 0.044 122.831 122.820 -0.055 0.000 2.275 223 A HA 0.058 4.377 4.320 -0.000 0.000 0.212 223 A C 0.429 178.000 177.584 -0.022 0.000 1.201 223 A CA 0.403 52.423 52.037 -0.028 0.000 0.843 223 A CB 0.165 19.163 19.000 -0.003 0.000 0.873 223 A HN 0.034 nan 8.150 nan 0.000 0.492 224 D N -2.570 117.802 120.400 -0.047 0.000 2.716 224 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 224 D C 0.602 176.854 176.300 -0.080 0.000 1.125 224 D CA 1.022 54.998 54.000 -0.041 0.000 0.681 224 D CB -1.291 39.511 40.800 0.004 0.000 1.070 224 D HN 0.517 nan 8.370 nan 0.000 0.432 225 A N -0.291 122.390 122.820 -0.232 0.000 2.324 225 A HA 0.187 4.507 4.320 -0.000 0.000 0.220 225 A C 2.053 179.168 177.584 -0.781 0.000 1.209 225 A CA 0.225 51.860 52.037 -0.671 0.000 0.918 225 A CB 0.064 18.805 19.000 -0.432 0.000 0.959 225 A HN 0.288 nan 8.150 nan 0.000 0.507 226 M N 1.292 120.675 119.600 -0.363 0.000 2.279 226 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 226 M C 2.028 178.212 176.300 -0.194 0.000 1.062 226 M CA 1.840 56.995 55.300 -0.242 0.000 1.099 226 M CB -0.876 31.647 32.600 -0.128 0.000 1.394 226 M HN 0.693 nan 8.290 nan 0.000 0.426 227 K N 0.508 120.808 120.400 -0.166 0.000 2.113 227 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 227 K C 1.150 177.811 176.600 0.103 0.000 1.047 227 K CA 1.956 58.242 56.287 -0.002 0.000 0.928 227 K CB -0.918 31.628 32.500 0.077 0.000 0.716 227 K HN 0.522 nan 8.250 nan 0.000 0.446 228 Y N 0.294 120.643 120.300 0.081 0.000 2.607 228 Y HA 0.461 5.011 4.550 -0.000 0.000 0.266 228 Y C -0.450 175.511 175.900 0.102 0.000 1.178 228 Y CA -0.967 57.209 58.100 0.128 0.000 1.226 228 Y CB 0.124 38.605 38.460 0.035 0.000 1.144 228 Y HN -0.214 nan 8.280 nan 0.000 0.528 229 T N 2.265 116.798 114.554 -0.036 0.000 2.876 229 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 229 T C -0.616 174.100 174.700 0.028 0.000 1.014 229 T CA -0.504 61.587 62.100 -0.014 0.000 0.986 229 T CB 1.976 70.762 68.868 -0.137 0.000 1.021 229 T HN 0.134 nan 8.240 nan 0.000 0.458 230 I N 2.045 122.653 120.570 0.064 0.000 2.441 230 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 230 I C -0.652 175.511 176.117 0.077 0.000 0.994 230 I CA -1.094 60.249 61.300 0.072 0.000 1.144 230 I CB 1.907 39.968 38.000 0.100 0.000 1.314 230 I HN 0.234 nan 8.210 nan 0.000 0.445 231 V N 6.895 126.851 119.914 0.071 0.000 2.350 231 V HA 0.295 4.415 4.120 -0.000 0.000 0.285 231 V C -0.080 176.068 176.094 0.089 0.000 1.014 231 V CA -0.660 61.702 62.300 0.104 0.000 0.831 231 V CB 1.638 33.513 31.823 0.087 0.000 1.000 231 V HN 0.404 nan 8.190 nan 0.000 0.433 232 V N 3.748 123.715 119.914 0.087 0.000 2.407 232 V HA 0.544 4.664 4.120 -0.000 0.000 0.278 232 V C 0.377 176.510 176.094 0.066 0.000 1.037 232 V CA -0.107 62.230 62.300 0.062 0.000 0.900 232 V CB 1.614 33.465 31.823 0.046 0.000 0.983 232 V HN 0.810 nan 8.190 nan 0.000 0.459 233 S N 3.800 119.536 115.700 0.061 0.000 2.774 233 S HA 0.706 5.176 4.470 -0.000 0.000 0.297 233 S C -0.225 174.403 174.600 0.045 0.000 1.143 233 S CA -0.207 58.030 58.200 0.062 0.000 1.090 233 S CB 0.946 64.188 63.200 0.071 0.000 1.019 233 S HN 1.084 nan 8.310 nan 0.000 0.482 234 A N 4.421 127.262 122.820 0.035 0.000 2.654 234 A HA 0.591 4.911 4.320 -0.000 0.000 0.345 234 A C 0.630 178.230 177.584 0.027 0.000 1.368 234 A CA -0.578 51.475 52.037 0.027 0.000 0.895 234 A CB -0.298 18.713 19.000 0.018 0.000 1.143 234 A HN 0.852 nan 8.150 nan 0.000 0.490 235 T N -1.336 113.236 114.554 0.031 0.000 2.788 235 T HA 0.507 4.857 4.350 -0.000 0.000 0.280 235 T C 1.609 176.323 174.700 0.024 0.000 0.984 235 T CA 0.048 62.166 62.100 0.030 0.000 0.972 235 T CB 0.970 69.858 68.868 0.033 0.000 1.039 235 T HN 1.064 nan 8.240 nan 0.000 0.530 236 A N 1.108 123.943 122.820 0.024 0.000 1.940 236 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 236 A C 2.478 180.071 177.584 0.015 0.000 1.190 236 A CA 2.574 54.623 52.037 0.020 0.000 0.647 236 A CB -1.517 17.495 19.000 0.020 0.000 0.821 236 A HN 1.304 nan 8.150 nan 0.000 0.457 237 S N -1.043 114.666 115.700 0.015 0.000 2.575 237 S HA 0.116 4.586 4.470 -0.000 0.000 0.215 237 S C -0.174 174.433 174.600 0.011 0.000 0.966 237 S CA -0.191 58.016 58.200 0.012 0.000 0.911 237 S CB -0.174 63.033 63.200 0.013 0.000 0.780 237 S HN 0.388 nan 8.310 nan 0.000 0.514 238 D N 2.833 123.240 120.400 0.011 0.000 2.256 238 D HA 0.561 5.201 4.640 -0.000 0.000 0.250 238 D C 0.401 176.695 176.300 -0.009 0.000 1.093 238 D CA 0.037 54.040 54.000 0.006 0.000 0.882 238 D CB 1.571 42.378 40.800 0.010 0.000 1.185 238 D HN 0.434 nan 8.370 nan 0.000 0.437 239 A N 2.000 124.808 122.820 -0.021 0.000 2.615 239 A HA 0.199 4.519 4.320 -0.000 0.000 0.230 239 A C 1.556 179.100 177.584 -0.067 0.000 1.062 239 A CA 0.626 52.636 52.037 -0.045 0.000 0.758 239 A CB 0.109 19.077 19.000 -0.054 0.000 0.995 239 A HN 0.683 nan 8.150 nan 0.000 0.511 240 A N 3.165 125.952 122.820 -0.056 0.000 1.884 240 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 240 A C 0.112 177.677 177.584 -0.032 0.000 1.197 240 A CA 2.227 54.244 52.037 -0.035 0.000 0.637 240 A CB -1.887 17.090 19.000 -0.039 0.000 0.827 240 A HN 0.691 nan 8.150 nan 0.000 0.450 241 P HA -0.148 nan 4.420 nan 0.000 0.216 241 P C 1.503 178.679 177.300 -0.208 0.000 1.150 241 P CA 1.079 64.066 63.100 -0.188 0.000 0.837 241 P CB -0.251 31.078 31.700 -0.618 0.000 0.786 242 L N -0.691 120.343 121.223 -0.315 0.000 2.027 242 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 242 L C 2.812 179.668 176.870 -0.023 0.000 1.074 242 L CA 1.570 56.314 54.840 -0.160 0.000 0.745 242 L CB -1.220 40.779 42.059 -0.100 0.000 0.898 242 L HN -0.020 nan 8.230 nan 0.000 0.433 243 Q N -0.983 118.822 119.800 0.008 0.000 2.170 243 Q HA -0.254 4.086 4.340 -0.000 0.000 0.203 243 Q C 2.106 178.168 176.000 0.103 0.000 0.976 243 Q CA 1.832 57.663 55.803 0.046 0.000 0.858 243 Q CB -0.405 28.363 28.738 0.049 0.000 0.907 243 Q HN 0.520 nan 8.270 nan 0.000 0.433 244 Y N 1.469 121.775 120.300 0.010 0.000 2.114 244 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 244 Y C 1.812 177.789 175.900 0.128 0.000 1.143 244 Y CA 1.320 59.468 58.100 0.079 0.000 1.135 244 Y CB -0.487 38.037 38.460 0.106 0.000 0.980 244 Y HN -0.035 nan 8.280 nan 0.000 0.499 245 L N 0.222 121.326 121.223 -0.198 0.000 2.017 245 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 245 L C 2.874 179.725 176.870 -0.031 0.000 1.073 245 L CA 1.244 55.969 54.840 -0.191 0.000 0.745 245 L CB -1.244 40.797 42.059 -0.030 0.000 0.894 245 L HN 0.417 nan 8.230 nan 0.000 0.432 246 A N 0.725 123.529 122.820 -0.026 0.000 1.920 246 A HA -0.277 4.043 4.320 -0.000 0.000 0.229 246 A C -0.109 177.451 177.584 -0.039 0.000 1.516 246 A CA 2.911 54.939 52.037 -0.015 0.000 0.714 246 A CB -2.376 16.620 19.000 -0.007 0.000 0.845 246 A HN 0.349 nan 8.150 nan 0.000 0.493 247 P HA -0.111 nan 4.420 nan 0.000 0.218 247 P C 0.973 178.126 177.300 -0.246 0.000 1.149 247 P CA 1.425 64.391 63.100 -0.224 0.000 0.817 247 P CB -0.245 31.025 31.700 -0.716 0.000 0.785 248 Y N 1.042 121.277 120.300 -0.109 0.000 2.130 248 Y HA -0.153 4.397 4.550 -0.000 0.000 0.287 248 Y C 2.956 178.847 175.900 -0.015 0.000 1.124 248 Y CA 1.793 59.838 58.100 -0.090 0.000 1.118 248 Y CB -1.684 36.670 38.460 -0.175 0.000 0.994 248 Y HN 0.009 nan 8.280 nan 0.000 0.497 249 S N -0.260 115.526 115.700 0.142 0.000 2.407 249 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 249 S C 2.279 176.933 174.600 0.090 0.000 1.036 249 S CA 1.422 59.681 58.200 0.099 0.000 1.013 249 S CB -1.362 61.886 63.200 0.080 0.000 0.820 249 S HN 0.503 nan 8.310 nan 0.000 0.476 250 G N -0.033 108.820 108.800 0.088 0.000 2.421 250 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 250 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 250 G C 1.683 176.647 174.900 0.107 0.000 1.143 250 G CA 0.660 45.811 45.100 0.085 0.000 0.784 250 G HN 0.627 nan 8.290 nan 0.000 0.541 251 C N 0.466 119.853 119.300 0.144 0.000 2.436 251 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 251 C C 3.253 178.325 174.990 0.137 0.000 1.241 251 C CA 1.719 60.832 59.018 0.158 0.000 1.721 251 C CB -0.927 26.917 27.740 0.173 0.000 2.043 251 C HN 0.374 nan 8.230 nan 0.000 0.472 252 S N 0.546 116.321 115.700 0.125 0.000 2.359 252 S HA -0.273 4.197 4.470 -0.000 0.000 0.223 252 S C 1.738 176.415 174.600 0.129 0.000 1.039 252 S CA 2.360 60.626 58.200 0.110 0.000 1.042 252 S CB -0.475 62.776 63.200 0.085 0.000 0.915 252 S HN 0.659 nan 8.310 nan 0.000 0.439 253 M N 0.654 120.328 119.600 0.124 0.000 2.144 253 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 253 M C 2.343 178.819 176.300 0.294 0.000 1.067 253 M CA 1.660 57.049 55.300 0.148 0.000 1.095 253 M CB -0.780 31.897 32.600 0.127 0.000 1.365 253 M HN 0.464 nan 8.290 nan 0.000 0.406 254 G N -0.537 108.425 108.800 0.270 0.000 2.511 254 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.217 254 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.217 254 G C 1.321 176.418 174.900 0.329 0.000 1.133 254 G CA 0.313 45.617 45.100 0.341 0.000 0.792 254 G HN 0.490 nan 8.290 nan 0.000 0.539 255 E N -0.445 119.890 120.200 0.225 0.000 2.072 255 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 255 E C 1.953 178.631 176.600 0.130 0.000 0.985 255 E CA 0.765 57.258 56.400 0.154 0.000 0.801 255 E CB -0.274 29.489 29.700 0.106 0.000 0.750 255 E HN 0.547 nan 8.360 nan 0.000 0.452 256 Y N 0.917 121.211 120.300 -0.009 0.000 2.139 256 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 256 Y C 1.710 177.492 175.900 -0.196 0.000 1.179 256 Y CA 1.718 59.726 58.100 -0.154 0.000 1.161 256 Y CB -0.471 37.816 38.460 -0.288 0.000 0.970 256 Y HN -0.056 nan 8.280 nan 0.000 0.511 257 F N 0.224 120.212 119.950 0.062 0.000 2.060 257 F HA -0.111 4.415 4.527 -0.000 0.000 0.295 257 F C 2.843 178.587 175.800 -0.095 0.000 1.120 257 F CA 1.931 59.909 58.000 -0.037 0.000 1.205 257 F CB -0.991 38.089 39.000 0.132 0.000 0.986 257 F HN -0.102 nan 8.300 nan 0.000 0.470 258 R N 0.871 121.479 120.500 0.180 0.000 2.136 258 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 258 R C 1.774 178.070 176.300 -0.007 0.000 1.131 258 R CA 2.512 58.657 56.100 0.075 0.000 0.937 258 R CB -0.770 29.579 30.300 0.082 0.000 0.863 258 R HN 0.210 nan 8.270 nan 0.000 0.435 259 D N 0.338 120.717 120.400 -0.035 0.000 2.182 259 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 259 D C 0.402 176.645 176.300 -0.095 0.000 0.986 259 D CA 1.094 55.065 54.000 -0.048 0.000 0.847 259 D CB -0.373 40.396 40.800 -0.051 0.000 0.942 259 D HN 0.315 nan 8.370 nan 0.000 0.467 260 N N -0.294 118.289 118.700 -0.196 0.000 2.758 260 N HA 0.313 5.052 4.740 -0.000 0.000 0.293 260 N C 0.985 176.415 175.510 -0.134 0.000 1.273 260 N CA 0.353 53.277 53.050 -0.210 0.000 1.022 260 N CB 0.593 38.848 38.487 -0.386 0.000 1.334 260 N HN 0.100 nan 8.380 nan 0.000 0.519 261 G N -0.328 108.412 108.800 -0.100 0.000 2.196 261 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.268 261 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.268 261 G C 0.362 175.150 174.900 -0.185 0.000 0.975 261 G CA 0.637 45.670 45.100 -0.112 0.000 0.648 261 G HN 0.413 nan 8.290 nan 0.000 0.538 262 K N -0.162 120.162 120.400 -0.128 0.000 2.148 262 K HA 0.612 4.932 4.320 -0.000 0.000 0.239 262 K C -0.156 176.326 176.600 -0.197 0.000 1.018 262 K CA -0.833 55.425 56.287 -0.048 0.000 0.923 262 K CB 0.622 33.288 32.500 0.278 0.000 1.117 262 K HN 0.300 nan 8.250 nan 0.000 0.477 263 H N -0.325 118.865 119.070 0.201 0.000 2.489 263 H HA 0.529 5.085 4.556 -0.000 0.000 0.343 263 H C -1.007 174.368 175.328 0.079 0.000 1.086 263 H CA -0.697 55.407 56.048 0.093 0.000 1.198 263 H CB 1.913 31.667 29.762 -0.014 0.000 1.490 263 H HN 0.662 nan 8.280 nan 0.000 0.504 264 A N 3.115 126.034 122.820 0.164 0.000 2.414 264 A HA 0.501 4.821 4.320 -0.000 0.000 0.306 264 A C -1.380 176.211 177.584 0.011 0.000 1.054 264 A CA -0.654 51.405 52.037 0.037 0.000 0.724 264 A CB 1.881 20.905 19.000 0.041 0.000 1.267 264 A HN 0.450 nan 8.150 nan 0.000 0.418 265 L N 2.261 123.463 121.223 -0.035 0.000 2.322 265 L HA 0.820 5.160 4.340 -0.000 0.000 0.281 265 L C -0.887 175.936 176.870 -0.079 0.000 1.014 265 L CA -0.513 54.297 54.840 -0.050 0.000 0.815 265 L CB 1.178 43.213 42.059 -0.041 0.000 1.247 265 L HN 0.681 nan 8.230 nan 0.000 0.421 266 I N 4.912 125.394 120.570 -0.147 0.000 2.533 266 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 266 I C -1.453 174.412 176.117 -0.420 0.000 1.056 266 I CA -0.633 60.492 61.300 -0.292 0.000 1.057 266 I CB 1.733 39.505 38.000 -0.379 0.000 1.240 266 I HN 0.573 nan 8.210 nan 0.000 0.423 267 I N 7.941 128.256 120.570 -0.425 0.000 2.362 267 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 267 I C -1.189 174.576 176.117 -0.587 0.000 0.994 267 I CA -0.226 60.832 61.300 -0.403 0.000 1.158 267 I CB 1.235 39.138 38.000 -0.161 0.000 1.315 267 I HN 0.291 nan 8.210 nan 0.000 0.451 268 Y N 4.089 124.234 120.300 -0.257 0.000 2.434 268 Y HA 0.463 5.013 4.550 -0.000 0.000 0.341 268 Y C -0.084 175.637 175.900 -0.298 0.000 0.965 268 Y CA -0.834 57.089 58.100 -0.294 0.000 1.205 268 Y CB 0.762 39.060 38.460 -0.269 0.000 1.121 268 Y HN 0.397 nan 8.280 nan 0.000 0.507 269 D N 3.453 123.714 120.400 -0.231 0.000 2.420 269 D HA 0.247 4.887 4.640 -0.000 0.000 0.255 269 D C -1.186 175.049 176.300 -0.109 0.000 1.185 269 D CA -0.439 53.448 54.000 -0.189 0.000 0.904 269 D CB 0.700 41.317 40.800 -0.304 0.000 1.102 269 D HN 0.581 nan 8.370 nan 0.000 0.534 270 D N 1.406 121.767 120.400 -0.064 0.000 2.449 270 D HA 0.336 4.975 4.640 -0.000 0.000 0.250 270 D C 1.327 177.569 176.300 -0.097 0.000 1.050 270 D CA -0.731 53.227 54.000 -0.069 0.000 1.024 270 D CB 1.756 42.528 40.800 -0.046 0.000 1.218 270 D HN 0.104 nan 8.370 nan 0.000 0.566 271 L N 0.146 121.277 121.223 -0.153 0.000 2.446 271 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 271 L C 1.712 178.518 176.870 -0.106 0.000 1.116 271 L CA 0.364 55.045 54.840 -0.264 0.000 0.844 271 L CB -0.090 41.616 42.059 -0.589 0.000 0.970 271 L HN 0.335 nan 8.230 nan 0.000 0.457 272 S N 0.409 116.076 115.700 -0.054 0.000 2.345 272 S HA -0.156 4.314 4.470 -0.000 0.000 0.220 272 S C 1.884 176.524 174.600 0.066 0.000 1.031 272 S CA 1.246 59.456 58.200 0.016 0.000 0.996 272 S CB -0.048 63.161 63.200 0.015 0.000 0.882 272 S HN 0.371 nan 8.310 nan 0.000 0.445 273 K N 1.165 121.590 120.400 0.042 0.000 2.103 273 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 273 K C 2.422 179.076 176.600 0.090 0.000 1.048 273 K CA 1.078 57.402 56.287 0.061 0.000 0.930 273 K CB -0.196 32.326 32.500 0.036 0.000 0.716 273 K HN 0.348 nan 8.250 nan 0.000 0.444 274 Q N 0.787 120.634 119.800 0.080 0.000 2.084 274 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 274 Q C 2.131 178.262 176.000 0.218 0.000 0.978 274 Q CA 1.502 57.380 55.803 0.126 0.000 0.844 274 Q CB -0.081 28.691 28.738 0.057 0.000 0.898 274 Q HN 0.340 nan 8.270 nan 0.000 0.426 275 A N 0.097 123.050 122.820 0.220 0.000 1.908 275 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 275 A C 2.249 180.066 177.584 0.388 0.000 1.181 275 A CA 1.664 53.844 52.037 0.239 0.000 0.627 275 A CB -0.790 18.259 19.000 0.080 0.000 0.818 275 A HN 0.292 nan 8.150 nan 0.000 0.445 276 V N -0.141 119.955 119.914 0.303 0.000 2.295 276 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 276 V C 3.068 179.250 176.094 0.146 0.000 1.049 276 V CA 1.963 64.398 62.300 0.225 0.000 1.024 276 V CB -1.334 30.577 31.823 0.147 0.000 0.648 276 V HN 0.635 nan 8.190 nan 0.000 0.447 277 A N -0.801 122.110 122.820 0.150 0.000 1.883 277 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 277 A C 2.189 179.836 177.584 0.105 0.000 1.186 277 A CA 2.340 54.447 52.037 0.116 0.000 0.624 277 A CB -0.867 18.221 19.000 0.147 0.000 0.822 277 A HN 0.623 nan 8.150 nan 0.000 0.444 278 Y N 0.394 120.723 120.300 0.049 0.000 2.181 278 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 278 Y C 2.548 178.439 175.900 -0.015 0.000 1.146 278 Y CA 2.085 60.163 58.100 -0.037 0.000 1.164 278 Y CB -0.390 38.088 38.460 0.029 0.000 0.982 278 Y HN 0.357 nan 8.280 nan 0.000 0.515 279 R N 0.329 120.849 120.500 0.035 0.000 2.083 279 R HA -0.264 4.076 4.340 -0.000 0.000 0.237 279 R C 2.450 178.644 176.300 -0.177 0.000 1.137 279 R CA 1.990 58.039 56.100 -0.085 0.000 0.951 279 R CB -0.514 29.724 30.300 -0.104 0.000 0.851 279 R HN 0.576 nan 8.270 nan 0.000 0.434 280 Q N 0.253 119.982 119.800 -0.118 0.000 2.077 280 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 280 Q C 2.087 177.997 176.000 -0.150 0.000 0.989 280 Q CA 2.307 58.043 55.803 -0.112 0.000 0.853 280 Q CB -0.093 28.605 28.738 -0.066 0.000 0.907 280 Q HN 0.455 nan 8.270 nan 0.000 0.418 281 M N -0.146 119.330 119.600 -0.208 0.000 2.099 281 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 281 M C 2.401 178.537 176.300 -0.274 0.000 1.067 281 M CA 1.586 56.745 55.300 -0.236 0.000 1.124 281 M CB -0.094 32.325 32.600 -0.302 0.000 1.353 281 M HN 0.172 nan 8.290 nan 0.000 0.410 282 S N 1.254 116.698 115.700 -0.426 0.000 2.359 282 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 282 S C 1.878 176.364 174.600 -0.190 0.000 1.038 282 S CA 1.454 59.438 58.200 -0.360 0.000 1.051 282 S CB -0.765 62.168 63.200 -0.446 0.000 0.944 282 S HN 0.371 nan 8.310 nan 0.000 0.433 283 L N 1.091 122.215 121.223 -0.165 0.000 2.079 283 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 283 L C 2.317 179.135 176.870 -0.087 0.000 1.081 283 L CA 1.033 55.808 54.840 -0.108 0.000 0.752 283 L CB -0.661 41.336 42.059 -0.104 0.000 0.896 283 L HN 0.274 nan 8.230 nan 0.000 0.433 284 L N -0.708 120.458 121.223 -0.094 0.000 2.093 284 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 284 L C 2.249 179.087 176.870 -0.054 0.000 1.085 284 L CA 1.014 55.814 54.840 -0.067 0.000 0.755 284 L CB -0.353 41.669 42.059 -0.061 0.000 0.904 284 L HN 0.283 nan 8.230 nan 0.000 0.435 285 L N -0.731 120.451 121.223 -0.068 0.000 2.622 285 L HA -0.028 4.312 4.340 -0.000 0.000 0.233 285 L C 0.972 177.820 176.870 -0.037 0.000 1.156 285 L CA 0.302 55.114 54.840 -0.046 0.000 0.866 285 L CB -0.239 41.786 42.059 -0.055 0.000 0.980 285 L HN 0.276 nan 8.230 nan 0.000 0.448 286 R N -0.730 119.742 120.500 -0.046 0.000 3.936 286 R HA -0.143 4.197 4.340 -0.000 0.000 0.366 286 R C 0.142 176.424 176.300 -0.030 0.000 1.158 286 R CA 0.388 56.467 56.100 -0.035 0.000 0.969 286 R CB -1.451 28.837 30.300 -0.021 0.000 1.504 286 R HN 0.375 nan 8.270 nan 0.000 0.538 287 R N 1.389 121.866 120.500 -0.040 0.000 2.827 287 R HA 0.125 4.465 4.340 -0.000 0.000 0.269 287 R C -1.972 174.319 176.300 -0.016 0.000 1.048 287 R CA -1.123 54.963 56.100 -0.022 0.000 1.173 287 R CB -0.055 30.230 30.300 -0.024 0.000 1.070 287 R HN -0.081 nan 8.270 nan 0.000 0.498 288 P HA 0.098 nan 4.420 nan 0.000 0.271 288 P C -2.447 174.861 177.300 0.013 0.000 1.220 288 P CA -1.111 61.993 63.100 0.006 0.000 0.768 288 P CB 0.158 31.866 31.700 0.014 0.000 0.848 289 P HA 0.369 nan 4.420 nan 0.000 0.292 289 P C 0.032 177.343 177.300 0.018 0.000 1.283 289 P CA -0.102 63.002 63.100 0.008 0.000 0.835 289 P CB 1.703 33.391 31.700 -0.020 0.000 1.017 290 G N 1.576 110.403 108.800 0.046 0.000 3.107 290 G HA2 0.370 4.330 3.960 -0.000 0.000 0.232 290 G HA3 0.370 4.330 3.960 -0.000 0.000 0.232 290 G C -0.629 174.269 174.900 -0.004 0.000 1.339 290 G CA -0.943 44.168 45.100 0.018 0.000 1.033 290 G HN 0.540 nan 8.290 nan 0.000 0.567 291 R N 0.437 120.880 120.500 -0.096 0.000 2.523 291 R HA -0.005 4.335 4.340 -0.000 0.000 0.281 291 R C 0.148 176.479 176.300 0.052 0.000 0.969 291 R CA 1.302 57.334 56.100 -0.115 0.000 1.093 291 R CB -0.275 29.830 30.300 -0.326 0.000 0.917 291 R HN 0.782 nan 8.270 nan 0.000 0.408 292 E N 2.196 122.441 120.200 0.075 0.000 3.286 292 E HA -0.330 4.020 4.350 -0.000 0.000 0.292 292 E C 0.277 176.836 176.600 -0.069 0.000 0.928 292 E CA 0.595 57.068 56.400 0.121 0.000 0.982 292 E CB -1.294 28.657 29.700 0.418 0.000 1.500 292 E HN 0.905 nan 8.360 nan 0.000 0.441 293 A N -2.042 120.749 122.820 -0.048 0.000 3.021 293 A HA -0.285 4.034 4.320 -0.000 0.000 0.257 293 A C -0.049 177.453 177.584 -0.137 0.000 1.277 293 A CA 1.640 53.606 52.037 -0.118 0.000 1.012 293 A CB -2.065 16.827 19.000 -0.180 0.000 1.147 293 A HN 0.391 nan 8.150 nan 0.000 0.861 294 Y N 0.671 121.065 120.300 0.157 0.000 2.309 294 Y HA 0.456 5.006 4.550 -0.000 0.000 0.327 294 Y C -1.338 174.678 175.900 0.193 0.000 1.172 294 Y CA -1.397 56.838 58.100 0.225 0.000 1.280 294 Y CB 0.359 39.093 38.460 0.457 0.000 1.234 294 Y HN 0.236 nan 8.280 nan 0.000 0.512 295 P HA 0.002 nan 4.420 nan 0.000 0.271 295 P C 0.697 178.176 177.300 0.299 0.000 1.233 295 P CA 0.106 63.344 63.100 0.231 0.000 0.789 295 P CB 0.725 32.547 31.700 0.204 0.000 0.951 296 G N 0.794 109.725 108.800 0.218 0.000 2.559 296 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 296 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 296 G C 0.537 175.581 174.900 0.240 0.000 1.126 296 G CA 0.415 45.637 45.100 0.203 0.000 0.778 296 G HN 0.639 nan 8.290 nan 0.000 0.543 297 D N -0.169 120.406 120.400 0.293 0.000 2.501 297 D HA 0.100 4.740 4.640 -0.000 0.000 0.226 297 D C 1.571 178.037 176.300 0.276 0.000 1.198 297 D CA -0.469 53.732 54.000 0.335 0.000 0.830 297 D CB 0.135 41.171 40.800 0.392 0.000 1.014 297 D HN 0.056 nan 8.370 nan 0.000 0.496 298 V N -0.254 119.802 119.914 0.238 0.000 2.548 298 V HA -0.065 4.055 4.120 -0.000 0.000 0.249 298 V C 1.764 177.755 176.094 -0.173 0.000 1.055 298 V CA 1.085 63.387 62.300 0.003 0.000 1.065 298 V CB -0.674 31.159 31.823 0.018 0.000 0.681 298 V HN 0.223 nan 8.190 nan 0.000 0.462 299 F N 0.158 120.056 119.950 -0.087 0.000 2.075 299 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 299 F C 2.222 178.026 175.800 0.007 0.000 1.113 299 F CA 2.430 60.392 58.000 -0.064 0.000 1.218 299 F CB -0.720 38.307 39.000 0.046 0.000 0.984 299 F HN 0.352 nan 8.300 nan 0.000 0.472 300 Y N 0.862 121.232 120.300 0.118 0.000 2.151 300 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 300 Y C 2.174 177.995 175.900 -0.132 0.000 1.166 300 Y CA 1.826 59.944 58.100 0.031 0.000 1.163 300 Y CB -1.091 37.430 38.460 0.101 0.000 0.974 300 Y HN 0.248 nan 8.280 nan 0.000 0.511 301 L N -0.221 120.830 121.223 -0.286 0.000 2.043 301 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 301 L C 2.271 179.000 176.870 -0.236 0.000 1.075 301 L CA 2.435 57.041 54.840 -0.389 0.000 0.752 301 L CB -0.714 41.010 42.059 -0.558 0.000 0.891 301 L HN 0.399 nan 8.230 nan 0.000 0.432 302 H N -2.117 116.760 119.070 -0.322 0.000 2.384 302 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 302 H C 2.375 177.481 175.328 -0.372 0.000 1.057 302 H CA 0.812 56.635 56.048 -0.374 0.000 1.370 302 H CB 0.032 29.551 29.762 -0.405 0.000 1.417 302 H HN 0.494 nan 8.280 nan 0.000 0.527 303 S N 1.825 117.311 115.700 -0.355 0.000 2.370 303 S HA -0.241 4.228 4.470 -0.000 0.000 0.226 303 S C 2.052 176.590 174.600 -0.103 0.000 1.033 303 S CA 1.326 59.358 58.200 -0.281 0.000 1.011 303 S CB -0.369 62.640 63.200 -0.319 0.000 0.852 303 S HN 0.538 nan 8.310 nan 0.000 0.457 304 R N 0.755 121.195 120.500 -0.099 0.000 2.193 304 R HA 0.124 4.464 4.340 -0.000 0.000 0.229 304 R C 2.205 178.505 176.300 -0.000 0.000 1.110 304 R CA 1.143 57.205 56.100 -0.063 0.000 0.988 304 R CB -0.631 29.556 30.300 -0.189 0.000 0.871 304 R HN 0.477 nan 8.270 nan 0.000 0.458 305 L N 0.895 122.111 121.223 -0.012 0.000 2.071 305 L HA 0.093 4.432 4.340 -0.000 0.000 0.201 305 L C 2.049 178.863 176.870 -0.094 0.000 1.076 305 L CA 1.304 56.105 54.840 -0.066 0.000 0.755 305 L CB -0.235 41.592 42.059 -0.386 0.000 0.915 305 L HN 0.144 nan 8.230 nan 0.000 0.445 306 L N -0.193 120.955 121.223 -0.126 0.000 2.362 306 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 306 L C 2.344 179.205 176.870 -0.015 0.000 1.134 306 L CA 0.593 55.394 54.840 -0.065 0.000 0.807 306 L CB -0.566 41.432 42.059 -0.101 0.000 0.927 306 L HN 0.377 nan 8.230 nan 0.000 0.447 307 E N 0.260 120.452 120.200 -0.014 0.000 2.285 307 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 307 E C 2.117 178.726 176.600 0.015 0.000 0.997 307 E CA 0.475 56.879 56.400 0.006 0.000 0.845 307 E CB 0.052 29.760 29.700 0.014 0.000 0.782 307 E HN 0.472 nan 8.360 nan 0.000 0.491 308 R N 0.769 121.284 120.500 0.025 0.000 2.241 308 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 308 R C 0.925 177.248 176.300 0.040 0.000 1.101 308 R CA 0.594 56.716 56.100 0.036 0.000 0.995 308 R CB -0.071 30.264 30.300 0.057 0.000 0.870 308 R HN -0.067 nan 8.270 nan 0.000 0.463 309 A N 0.986 123.832 122.820 0.043 0.000 2.366 309 A HA 0.665 4.985 4.320 -0.000 0.000 0.272 309 A C -0.233 177.365 177.584 0.023 0.000 1.135 309 A CA 0.021 52.083 52.037 0.041 0.000 0.804 309 A CB 0.684 19.710 19.000 0.044 0.000 1.064 309 A HN 0.283 nan 8.150 nan 0.000 0.499 310 A N 1.902 124.736 122.820 0.023 0.000 2.567 310 A HA 0.631 4.950 4.320 -0.000 0.000 0.291 310 A C -0.999 176.598 177.584 0.021 0.000 1.048 310 A CA -0.724 51.320 52.037 0.012 0.000 0.661 310 A CB 0.711 19.706 19.000 -0.008 0.000 1.288 310 A HN 0.960 nan 8.150 nan 0.000 0.424 311 K N 1.768 122.180 120.400 0.019 0.000 2.264 311 K HA 0.577 4.897 4.320 -0.000 0.000 0.277 311 K C -0.113 176.501 176.600 0.024 0.000 1.067 311 K CA -0.311 55.999 56.287 0.037 0.000 0.900 311 K CB 0.197 32.718 32.500 0.035 0.000 1.124 311 K HN 0.605 nan 8.250 nan 0.000 0.469 312 M N 2.429 122.047 119.600 0.031 0.000 2.163 312 M HA 0.167 4.647 4.480 -0.000 0.000 0.305 312 M C 0.343 176.688 176.300 0.075 0.000 1.166 312 M CA -0.433 54.882 55.300 0.025 0.000 1.132 312 M CB 0.016 32.643 32.600 0.045 0.000 1.413 312 M HN 0.740 nan 8.290 nan 0.000 0.478 313 N N 0.212 118.989 118.700 0.128 0.000 2.492 313 N HA 0.186 4.926 4.740 -0.000 0.000 0.289 313 N C -0.039 175.566 175.510 0.158 0.000 1.133 313 N CA -0.497 52.640 53.050 0.145 0.000 0.961 313 N CB 0.575 39.161 38.487 0.164 0.000 1.186 313 N HN 0.418 nan 8.380 nan 0.000 0.493 314 D N 0.744 121.201 120.400 0.094 0.000 2.203 314 D HA -0.240 4.399 4.640 -0.000 0.000 0.199 314 D C 1.469 177.791 176.300 0.037 0.000 0.997 314 D CA 1.896 55.931 54.000 0.058 0.000 0.863 314 D CB -0.372 40.449 40.800 0.035 0.000 0.928 314 D HN 0.759 nan 8.370 nan 0.000 0.458 315 A N 0.037 122.882 122.820 0.042 0.000 2.076 315 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 315 A C 1.675 179.127 177.584 -0.220 0.000 1.160 315 A CA 1.033 53.027 52.037 -0.072 0.000 0.653 315 A CB -0.597 18.372 19.000 -0.052 0.000 0.801 315 A HN 0.184 nan 8.150 nan 0.000 0.455 316 F N -2.386 117.558 119.950 -0.011 0.000 2.704 316 F HA 0.396 4.923 4.527 -0.000 0.000 0.304 316 F C 1.750 177.532 175.800 -0.030 0.000 1.094 316 F CA 0.745 58.734 58.000 -0.018 0.000 1.275 316 F CB 1.016 40.009 39.000 -0.012 0.000 1.073 316 F HN 0.341 nan 8.300 nan 0.000 0.586 317 G N -0.917 107.946 108.800 0.105 0.000 2.367 317 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.181 317 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.181 317 G C 1.234 176.147 174.900 0.021 0.000 1.000 317 G CA -0.208 44.915 45.100 0.038 0.000 0.693 317 G HN 0.796 nan 8.290 nan 0.000 0.480 318 G N -0.203 108.633 108.800 0.059 0.000 2.205 318 G HA2 0.101 4.061 3.960 -0.000 0.000 0.269 318 G HA3 0.101 4.061 3.960 -0.000 0.000 0.269 318 G C 1.449 176.361 174.900 0.019 0.000 0.977 318 G CA 1.364 46.498 45.100 0.057 0.000 0.652 318 G HN 2.066 nan 8.290 nan 0.000 0.539 319 G N -0.266 108.496 108.800 -0.064 0.000 2.594 319 G HA2 0.614 4.574 3.960 -0.000 0.000 0.243 319 G HA3 0.614 4.574 3.960 -0.000 0.000 0.243 319 G C 0.366 175.259 174.900 -0.011 0.000 1.229 319 G CA 1.210 46.193 45.100 -0.196 0.000 0.843 319 G HN 1.744 nan 8.290 nan 0.000 0.578 320 S N -0.824 114.927 115.700 0.085 0.000 2.697 320 S HA 0.722 5.192 4.470 -0.000 0.000 0.289 320 S C -1.343 173.346 174.600 0.149 0.000 1.149 320 S CA -0.870 57.437 58.200 0.179 0.000 0.850 320 S CB 2.080 65.446 63.200 0.277 0.000 1.151 320 S HN 1.108 nan 8.310 nan 0.000 0.491 321 L N 1.587 122.870 121.223 0.100 0.000 2.504 321 L HA 0.574 4.914 4.340 -0.000 0.000 0.265 321 L C -0.802 176.091 176.870 0.038 0.000 0.975 321 L CA 0.222 55.107 54.840 0.075 0.000 0.864 321 L CB 1.557 43.662 42.059 0.077 0.000 1.212 321 L HN 0.939 nan 8.230 nan 0.000 0.416 322 T N 3.306 117.868 114.554 0.013 0.000 2.875 322 T HA 0.851 5.201 4.350 -0.000 0.000 0.284 322 T C -0.185 174.492 174.700 -0.038 0.000 0.995 322 T CA -0.178 61.914 62.100 -0.014 0.000 1.060 322 T CB 1.528 70.376 68.868 -0.032 0.000 0.967 322 T HN 0.759 nan 8.240 nan 0.000 0.476 323 A N 2.866 125.667 122.820 -0.031 0.000 2.356 323 A HA 0.729 5.049 4.320 -0.000 0.000 0.310 323 A C -0.732 176.824 177.584 -0.047 0.000 1.075 323 A CA -0.745 51.259 52.037 -0.055 0.000 0.746 323 A CB 0.728 19.746 19.000 0.031 0.000 1.221 323 A HN 0.842 nan 8.150 nan 0.000 0.443 324 L N 4.558 125.723 121.223 -0.096 0.000 2.356 324 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 324 L C -2.438 174.398 176.870 -0.057 0.000 1.029 324 L CA -1.714 53.087 54.840 -0.064 0.000 0.897 324 L CB 1.714 43.737 42.059 -0.060 0.000 1.256 324 L HN 0.464 nan 8.230 nan 0.000 0.444 325 P HA 0.301 nan 4.420 nan 0.000 0.292 325 P C -0.682 176.603 177.300 -0.025 0.000 1.283 325 P CA -0.442 62.694 63.100 0.060 0.000 0.835 325 P CB 2.274 33.991 31.700 0.029 0.000 1.017 326 V N 4.282 124.169 119.914 -0.045 0.000 2.483 326 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 326 V C 0.293 176.341 176.094 -0.077 0.000 1.035 326 V CA -0.572 61.694 62.300 -0.057 0.000 0.896 326 V CB 1.610 33.403 31.823 -0.050 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.305 123.837 120.570 -0.063 0.000 2.498 327 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 327 I C -0.041 176.052 176.117 -0.039 0.000 1.032 327 I CA -0.362 60.904 61.300 -0.058 0.000 1.073 327 I CB 2.063 40.031 38.000 -0.054 0.000 1.251 327 I HN 0.803 nan 8.210 nan 0.000 0.426 328 E N 5.619 125.802 120.200 -0.027 0.000 2.055 328 E HA 0.304 4.654 4.350 -0.000 0.000 0.274 328 E C -0.159 176.442 176.600 0.002 0.000 0.949 328 E CA -0.390 55.997 56.400 -0.021 0.000 0.775 328 E CB 0.914 30.606 29.700 -0.014 0.000 1.097 328 E HN 0.724 nan 8.360 nan 0.000 0.404 329 T N 1.944 116.499 114.554 0.001 0.000 2.698 329 T HA 0.194 4.544 4.350 -0.000 0.000 0.295 329 T C 0.156 174.877 174.700 0.035 0.000 1.007 329 T CA -0.677 61.445 62.100 0.037 0.000 0.980 329 T CB 1.068 69.978 68.868 0.071 0.000 1.036 329 T HN 0.393 nan 8.240 nan 0.000 0.526 330 Q N 0.099 119.933 119.800 0.057 0.000 2.290 330 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 330 Q C 0.145 176.182 176.000 0.062 0.000 1.016 330 Q CA -0.198 55.637 55.803 0.053 0.000 0.754 330 Q CB 1.483 30.258 28.738 0.061 0.000 1.247 330 Q HN 1.267 nan 8.270 nan 0.000 0.451 331 A N 1.996 124.848 122.820 0.053 0.000 2.783 331 A HA -0.176 4.144 4.320 -0.000 0.000 0.292 331 A C 1.170 178.807 177.584 0.088 0.000 1.495 331 A CA 1.561 53.636 52.037 0.062 0.000 0.787 331 A CB -2.128 16.905 19.000 0.056 0.000 1.017 331 A HN 1.642 nan 8.150 nan 0.000 0.516 332 G N -0.993 107.872 108.800 0.108 0.000 2.180 332 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.263 332 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.263 332 G C 0.105 175.114 174.900 0.181 0.000 0.989 332 G CA 1.151 46.365 45.100 0.191 0.000 0.692 332 G HN 1.737 nan 8.290 nan 0.000 0.526 333 D N 0.893 121.368 120.400 0.124 0.000 2.597 333 D HA 0.298 4.938 4.640 -0.000 0.000 0.228 333 D C 2.049 178.417 176.300 0.113 0.000 1.120 333 D CA 0.424 54.486 54.000 0.103 0.000 1.083 333 D CB -0.015 40.837 40.800 0.087 0.000 1.116 333 D HN 0.593 nan 8.370 nan 0.000 0.487 334 V N 0.521 120.512 119.914 0.127 0.000 2.867 334 V HA -0.126 3.994 4.120 -0.000 0.000 0.260 334 V C 1.714 177.863 176.094 0.092 0.000 1.099 334 V CA 1.230 63.604 62.300 0.124 0.000 1.122 334 V CB -0.513 31.377 31.823 0.113 0.000 0.708 334 V HN 0.271 nan 8.190 nan 0.000 0.490 335 S N 0.372 116.120 115.700 0.080 0.000 2.593 335 S HA 0.569 5.039 4.470 -0.000 0.000 0.217 335 S C 1.212 175.875 174.600 0.106 0.000 0.966 335 S CA 0.306 58.554 58.200 0.080 0.000 0.914 335 S CB -0.228 63.007 63.200 0.058 0.000 0.776 335 S HN 0.897 nan 8.310 nan 0.000 0.523 336 A N 0.740 123.630 122.820 0.116 0.000 2.346 336 A HA 0.322 4.642 4.320 -0.000 0.000 0.255 336 A C 0.990 178.700 177.584 0.210 0.000 1.113 336 A CA -0.133 51.995 52.037 0.151 0.000 0.798 336 A CB -0.265 18.820 19.000 0.143 0.000 1.073 336 A HN 0.304 nan 8.150 nan 0.000 0.502 337 Y N 0.127 120.470 120.300 0.070 0.000 2.006 337 Y HA -0.234 4.316 4.550 -0.000 0.000 0.266 337 Y C 1.996 177.895 175.900 -0.001 0.000 1.133 337 Y CA 2.482 60.609 58.100 0.046 0.000 1.098 337 Y CB -0.795 37.714 38.460 0.082 0.000 0.969 337 Y HN 0.456 nan 8.280 nan 0.000 0.482 338 I N 0.407 120.838 120.570 -0.231 0.000 2.286 338 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 338 I C -0.845 175.216 176.117 -0.093 0.000 1.115 338 I CA 1.378 62.492 61.300 -0.311 0.000 1.392 338 I CB -1.777 36.021 38.000 -0.335 0.000 1.065 338 I HN 0.208 nan 8.210 nan 0.000 0.418 339 P HA -0.098 nan 4.420 nan 0.000 0.217 339 P C 1.806 179.137 177.300 0.051 0.000 1.150 339 P CA 1.521 64.637 63.100 0.027 0.000 0.832 339 P CB -0.198 31.539 31.700 0.062 0.000 0.787 340 T N -0.330 114.273 114.554 0.082 0.000 2.720 340 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 340 T C 1.615 176.398 174.700 0.139 0.000 1.037 340 T CA 1.528 63.698 62.100 0.116 0.000 1.144 340 T CB -0.816 68.151 68.868 0.164 0.000 0.864 340 T HN 0.110 nan 8.240 nan 0.000 0.444 341 N N 1.107 119.889 118.700 0.137 0.000 2.013 341 N HA -0.088 4.652 4.740 -0.000 0.000 0.195 341 N C 2.049 177.650 175.510 0.151 0.000 1.051 341 N CA 1.146 54.348 53.050 0.252 0.000 0.851 341 N CB -1.098 37.477 38.487 0.147 0.000 1.044 341 N HN 0.216 nan 8.380 nan 0.000 0.422 342 V N 1.773 121.703 119.914 0.027 0.000 2.392 342 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 342 V C 2.294 178.391 176.094 0.005 0.000 1.059 342 V CA 1.233 63.511 62.300 -0.038 0.000 1.051 342 V CB -0.571 31.186 31.823 -0.110 0.000 0.658 342 V HN 0.270 nan 8.190 nan 0.000 0.455 343 I N 1.251 121.845 120.570 0.040 0.000 2.226 343 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 343 I C 2.660 178.816 176.117 0.065 0.000 1.100 343 I CA 1.966 63.296 61.300 0.050 0.000 1.374 343 I CB -0.406 37.631 38.000 0.061 0.000 1.057 343 I HN 0.535 nan 8.210 nan 0.000 0.413 344 S N 0.502 116.265 115.700 0.106 0.000 2.507 344 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 344 S C 1.726 176.418 174.600 0.153 0.000 0.988 344 S CA 0.668 58.951 58.200 0.139 0.000 0.944 344 S CB -0.412 62.911 63.200 0.205 0.000 0.762 344 S HN 0.454 nan 8.310 nan 0.000 0.526 345 I N 1.631 122.264 120.570 0.106 0.000 2.927 345 I HA 0.053 4.223 4.170 -0.000 0.000 0.268 345 I C 1.286 177.418 176.117 0.026 0.000 1.153 345 I CA 0.565 61.900 61.300 0.058 0.000 1.459 345 I CB -0.293 37.666 38.000 -0.067 0.000 1.149 345 I HN 0.377 nan 8.210 nan 0.000 0.443 346 T N -2.144 112.418 114.554 0.014 0.000 2.849 346 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 346 T C 0.580 175.292 174.700 0.019 0.000 1.004 346 T CA -0.552 61.553 62.100 0.008 0.000 1.021 346 T CB 1.167 70.034 68.868 -0.002 0.000 1.013 346 T HN 0.032 nan 8.240 nan 0.000 0.527 347 D N 0.428 120.836 120.400 0.014 0.000 2.349 347 D HA 0.273 4.913 4.640 -0.000 0.000 0.224 347 D C 1.017 177.326 176.300 0.015 0.000 1.029 347 D CA 0.607 54.616 54.000 0.014 0.000 0.879 347 D CB 0.106 40.911 40.800 0.009 0.000 0.906 347 D HN 0.882 nan 8.370 nan 0.000 0.528 348 G N 0.373 109.184 108.800 0.017 0.000 2.315 348 G HA2 0.357 4.317 3.960 -0.000 0.000 0.294 348 G HA3 0.357 4.317 3.960 -0.000 0.000 0.294 348 G C -2.039 172.877 174.900 0.028 0.000 1.300 348 G CA -0.863 44.249 45.100 0.021 0.000 0.843 348 G HN 0.087 nan 8.290 nan 0.000 0.527 349 Q N -1.152 118.672 119.800 0.040 0.000 2.377 349 Q HA 0.742 5.082 4.340 -0.000 0.000 0.279 349 Q C -1.176 174.870 176.000 0.076 0.000 1.049 349 Q CA -0.755 55.084 55.803 0.060 0.000 0.825 349 Q CB 2.489 31.279 28.738 0.087 0.000 1.401 349 Q HN 0.581 nan 8.270 nan 0.000 0.404 350 I N 2.177 122.792 120.570 0.074 0.000 2.371 350 I HA 0.343 4.513 4.170 -0.000 0.000 0.282 350 I C -1.142 175.035 176.117 0.101 0.000 1.031 350 I CA -0.635 60.711 61.300 0.075 0.000 1.180 350 I CB 0.598 38.617 38.000 0.032 0.000 1.336 350 I HN 0.596 nan 8.210 nan 0.000 0.467 351 F N 7.847 127.799 119.950 0.003 0.000 2.413 351 F HA 0.483 5.010 4.527 -0.000 0.000 0.359 351 F C -0.474 175.332 175.800 0.009 0.000 1.122 351 F CA -0.348 57.655 58.000 0.005 0.000 1.160 351 F CB 0.473 39.478 39.000 0.007 0.000 1.146 351 F HN 0.230 nan 8.300 nan 0.000 0.514 352 L N 6.143 127.026 121.223 -0.567 0.000 2.307 352 L HA 0.473 4.813 4.340 -0.000 0.000 0.282 352 L C -0.465 176.090 176.870 -0.525 0.000 1.051 352 L CA -0.540 54.071 54.840 -0.382 0.000 0.804 352 L CB 1.442 43.350 42.059 -0.252 0.000 1.197 352 L HN 0.554 nan 8.230 nan 0.000 0.431 353 E N 0.708 120.798 120.200 -0.183 0.000 2.266 353 E HA 0.275 4.624 4.350 -0.000 0.000 0.268 353 E C -0.068 176.528 176.600 -0.007 0.000 0.879 353 E CA -0.537 55.819 56.400 -0.073 0.000 0.762 353 E CB 2.258 32.032 29.700 0.124 0.000 1.199 353 E HN 0.554 nan 8.360 nan 0.000 0.422 354 T N 0.918 115.470 114.554 -0.004 0.000 2.777 354 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 354 T C 1.596 176.391 174.700 0.159 0.000 1.040 354 T CA 1.393 63.511 62.100 0.029 0.000 1.141 354 T CB -0.015 68.907 68.868 0.089 0.000 0.868 354 T HN 0.592 nan 8.240 nan 0.000 0.444 355 E N 1.083 121.380 120.200 0.163 0.000 2.049 355 E HA -0.155 4.194 4.350 -0.000 0.000 0.198 355 E C 2.148 178.844 176.600 0.160 0.000 1.007 355 E CA 1.076 57.583 56.400 0.179 0.000 0.809 355 E CB -0.316 29.468 29.700 0.139 0.000 0.749 355 E HN 0.425 nan 8.360 nan 0.000 0.450 356 L N -0.035 121.265 121.223 0.128 0.000 1.971 356 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 356 L C 2.545 179.460 176.870 0.074 0.000 1.072 356 L CA 1.728 56.627 54.840 0.098 0.000 0.758 356 L CB -0.733 41.381 42.059 0.093 0.000 0.889 356 L HN 0.252 nan 8.230 nan 0.000 0.433 357 F N 0.050 119.934 119.950 -0.110 0.000 2.032 357 F HA -0.373 4.154 4.527 -0.000 0.000 0.297 357 F C 2.488 178.146 175.800 -0.236 0.000 1.125 357 F CA 1.987 59.845 58.000 -0.236 0.000 1.202 357 F CB -0.550 38.194 39.000 -0.426 0.000 0.958 357 F HN -0.038 nan 8.300 nan 0.000 0.491 358 Y N 0.233 120.689 120.300 0.261 0.000 2.274 358 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 358 Y C 2.322 178.242 175.900 0.033 0.000 1.145 358 Y CA 1.488 59.670 58.100 0.138 0.000 1.203 358 Y CB -0.918 37.642 38.460 0.166 0.000 0.984 358 Y HN 0.073 nan 8.280 nan 0.000 0.533 359 K N -0.836 119.650 120.400 0.143 0.000 2.442 359 K HA -0.005 4.315 4.320 -0.000 0.000 0.198 359 K C 1.474 178.087 176.600 0.022 0.000 1.042 359 K CA 0.846 57.184 56.287 0.086 0.000 0.958 359 K CB -0.290 32.259 32.500 0.081 0.000 0.766 359 K HN 0.528 nan 8.250 nan 0.000 0.474 360 G N 0.529 109.296 108.800 -0.055 0.000 2.231 360 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.206 360 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.206 360 G C 0.051 174.872 174.900 -0.131 0.000 0.996 360 G CA -0.489 44.550 45.100 -0.101 0.000 0.645 360 G HN 0.102 nan 8.290 nan 0.000 0.498 361 I N 2.131 122.640 120.570 -0.102 0.000 2.389 361 I HA 0.375 4.544 4.170 -0.000 0.000 0.295 361 I C 0.586 176.618 176.117 -0.141 0.000 1.117 361 I CA 0.419 61.673 61.300 -0.077 0.000 1.317 361 I CB -0.077 37.918 38.000 -0.009 0.000 1.431 361 I HN 0.146 nan 8.210 nan 0.000 0.521 362 R N 7.509 127.916 120.500 -0.154 0.000 2.514 362 R HA 0.390 4.730 4.340 -0.000 0.000 0.296 362 R C -2.602 173.650 176.300 -0.080 0.000 1.012 362 R CA -1.645 54.353 56.100 -0.169 0.000 0.897 362 R CB 2.556 32.652 30.300 -0.340 0.000 1.184 362 R HN 0.294 nan 8.270 nan 0.000 0.440 363 P HA -0.006 nan 4.420 nan 0.000 0.268 363 P C -0.019 177.294 177.300 0.023 0.000 1.205 363 P CA -0.069 63.035 63.100 0.007 0.000 0.771 363 P CB 0.862 32.563 31.700 0.002 0.000 0.858 364 A N 4.108 126.979 122.820 0.086 0.000 2.150 364 A HA 0.057 4.377 4.320 -0.000 0.000 0.220 364 A C 0.982 178.594 177.584 0.047 0.000 1.356 364 A CA -0.178 51.910 52.037 0.085 0.000 1.145 364 A CB -1.506 17.595 19.000 0.168 0.000 0.826 364 A HN 0.503 nan 8.150 nan 0.000 0.524 365 I N 1.239 121.833 120.570 0.041 0.000 2.587 365 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 365 I C 0.597 176.771 176.117 0.095 0.000 1.134 365 I CA -0.130 61.204 61.300 0.056 0.000 1.410 365 I CB 0.205 38.232 38.000 0.044 0.000 1.392 365 I HN 0.298 nan 8.210 nan 0.000 0.545 366 N N 7.084 125.883 118.700 0.165 0.000 2.448 366 N HA 0.044 4.784 4.740 -0.000 0.000 0.250 366 N C 0.748 176.337 175.510 0.132 0.000 1.136 366 N CA 0.073 53.238 53.050 0.192 0.000 0.953 366 N CB 1.305 40.008 38.487 0.361 0.000 1.251 366 N HN 0.453 nan 8.380 nan 0.000 0.502 367 V N 3.927 123.893 119.914 0.086 0.000 2.332 367 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 367 V C 2.272 178.391 176.094 0.042 0.000 1.055 367 V CA 2.388 64.724 62.300 0.061 0.000 1.038 367 V CB -0.796 31.057 31.823 0.050 0.000 0.651 367 V HN 0.786 nan 8.190 nan 0.000 0.450 368 G N -0.529 108.288 108.800 0.030 0.000 2.440 368 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 368 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 368 G C 1.438 176.328 174.900 -0.016 0.000 1.154 368 G CA 0.973 46.073 45.100 -0.000 0.000 0.767 368 G HN 0.525 nan 8.290 nan 0.000 0.552 369 L N 0.830 122.040 121.223 -0.023 0.000 2.567 369 L HA 0.226 4.565 4.340 -0.000 0.000 0.225 369 L C 1.034 177.899 176.870 -0.008 0.000 1.119 369 L CA -0.278 54.518 54.840 -0.073 0.000 0.871 369 L CB 0.212 42.122 42.059 -0.249 0.000 1.036 369 L HN -0.001 nan 8.230 nan 0.000 0.459 370 S N -0.254 115.477 115.700 0.052 0.000 2.617 370 S HA 0.592 5.062 4.470 -0.000 0.000 0.269 370 S C -0.138 174.484 174.600 0.037 0.000 1.292 370 S CA -0.507 57.737 58.200 0.073 0.000 1.010 370 S CB 1.866 65.122 63.200 0.092 0.000 0.944 370 S HN -0.005 nan 8.310 nan 0.000 0.536 371 V N 0.025 119.961 119.914 0.036 0.000 3.216 371 V HA 0.775 4.894 4.120 -0.000 0.000 0.302 371 V C -0.657 175.448 176.094 0.019 0.000 1.286 371 V CA -0.888 61.424 62.300 0.021 0.000 1.048 371 V CB 1.944 33.776 31.823 0.015 0.000 1.081 371 V HN 0.712 nan 8.190 nan 0.000 0.442 372 S N 0.027 115.734 115.700 0.012 0.000 2.721 372 S HA 0.444 4.914 4.470 -0.000 0.000 0.264 372 S C 0.656 175.259 174.600 0.006 0.000 1.161 372 S CA -0.642 57.563 58.200 0.008 0.000 1.113 372 S CB 1.152 64.354 63.200 0.004 0.000 1.079 372 S HN 0.746 nan 8.310 nan 0.000 0.479 373 R N 2.239 122.744 120.500 0.007 0.000 2.083 373 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 373 R C 1.883 178.186 176.300 0.004 0.000 1.137 373 R CA 1.879 57.983 56.100 0.007 0.000 0.951 373 R CB -0.578 29.728 30.300 0.010 0.000 0.851 373 R HN 0.573 nan 8.270 nan 0.000 0.434 374 V N 0.461 120.376 119.914 0.001 0.000 2.380 374 V HA -0.206 3.913 4.120 -0.000 0.000 0.251 374 V C 1.730 177.822 176.094 -0.004 0.000 1.063 374 V CA 1.729 64.028 62.300 -0.003 0.000 1.055 374 V CB -1.351 30.468 31.823 -0.007 0.000 0.657 374 V HN 0.765 nan 8.190 nan 0.000 0.455 375 G N -0.085 108.713 108.800 -0.003 0.000 2.574 375 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.282 375 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.282 375 G C 0.933 175.829 174.900 -0.006 0.000 1.257 375 G CA 0.459 45.557 45.100 -0.003 0.000 0.956 375 G HN 0.379 nan 8.290 nan 0.000 0.560 376 S N 0.606 116.303 115.700 -0.005 0.000 2.440 376 S HA 0.005 4.475 4.470 -0.000 0.000 0.238 376 S C 2.671 177.266 174.600 -0.009 0.000 1.010 376 S CA 1.859 60.055 58.200 -0.006 0.000 0.972 376 S CB -0.562 62.636 63.200 -0.003 0.000 0.774 376 S HN 1.651 nan 8.310 nan 0.000 0.501 377 A N 0.418 123.233 122.820 -0.009 0.000 2.186 377 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 377 A C 1.890 179.463 177.584 -0.019 0.000 1.159 377 A CA 1.448 53.479 52.037 -0.011 0.000 0.680 377 A CB -0.412 18.583 19.000 -0.008 0.000 0.787 377 A HN 0.520 nan 8.150 nan 0.000 0.467 378 A N -1.759 121.047 122.820 -0.023 0.000 2.419 378 A HA 0.313 4.632 4.320 -0.000 0.000 0.233 378 A C 0.839 178.402 177.584 -0.035 0.000 1.217 378 A CA -0.233 51.783 52.037 -0.035 0.000 0.944 378 A CB 0.144 19.121 19.000 -0.037 0.000 1.025 378 A HN 0.529 nan 8.150 nan 0.000 0.524 379 Q N 1.051 120.837 119.800 -0.023 0.000 2.259 379 Q HA 0.392 4.732 4.340 -0.000 0.000 0.246 379 Q C 0.219 176.209 176.000 -0.017 0.000 0.920 379 Q CA -0.094 55.699 55.803 -0.017 0.000 0.895 379 Q CB 1.234 29.967 28.738 -0.007 0.000 1.220 379 Q HN 0.504 nan 8.270 nan 0.000 0.439 380 T N -1.680 112.866 114.554 -0.013 0.000 2.828 380 T HA 0.157 4.507 4.350 -0.000 0.000 0.290 380 T C 0.923 175.622 174.700 -0.001 0.000 1.019 380 T CA -0.517 61.577 62.100 -0.010 0.000 1.031 380 T CB 1.103 69.967 68.868 -0.007 0.000 1.001 380 T HN 0.718 nan 8.240 nan 0.000 0.531 381 R N 0.422 120.922 120.500 0.001 0.000 2.115 381 R HA -0.013 4.327 4.340 -0.000 0.000 0.230 381 R C 2.473 178.781 176.300 0.013 0.000 1.111 381 R CA 1.255 57.359 56.100 0.006 0.000 0.976 381 R CB -0.931 29.372 30.300 0.006 0.000 0.870 381 R HN 0.835 nan 8.270 nan 0.000 0.445 382 A N 0.962 123.790 122.820 0.013 0.000 1.845 382 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 382 A C 2.083 179.684 177.584 0.029 0.000 1.195 382 A CA 1.673 53.723 52.037 0.021 0.000 0.616 382 A CB -0.608 18.402 19.000 0.016 0.000 0.832 382 A HN 0.412 nan 8.150 nan 0.000 0.443 383 M N 0.189 119.802 119.600 0.023 0.000 2.080 383 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 383 M C 1.866 178.180 176.300 0.023 0.000 1.068 383 M CA 2.086 57.400 55.300 0.024 0.000 1.109 383 M CB -0.538 32.072 32.600 0.016 0.000 1.342 383 M HN 0.406 nan 8.290 nan 0.000 0.405 384 K N -0.693 119.717 120.400 0.016 0.000 2.074 384 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 384 K C 2.144 178.755 176.600 0.019 0.000 1.048 384 K CA 1.937 58.232 56.287 0.013 0.000 0.926 384 K CB -0.467 32.039 32.500 0.009 0.000 0.713 384 K HN 0.552 nan 8.250 nan 0.000 0.444 385 Q N 0.594 120.410 119.800 0.027 0.000 2.325 385 Q HA -0.192 4.148 4.340 -0.000 0.000 0.211 385 Q C 1.670 177.697 176.000 0.045 0.000 0.988 385 Q CA 1.784 57.609 55.803 0.038 0.000 0.887 385 Q CB 0.168 28.936 28.738 0.050 0.000 0.915 385 Q HN 0.361 nan 8.270 nan 0.000 0.440 386 V N -5.184 114.757 119.914 0.044 0.000 3.137 386 V HA 0.317 4.437 4.120 -0.000 0.000 0.236 386 V C 1.992 178.097 176.094 0.018 0.000 1.260 386 V CA 0.500 62.825 62.300 0.041 0.000 1.244 386 V CB -0.846 31.022 31.823 0.075 0.000 1.016 386 V HN 0.175 nan 8.190 nan 0.000 0.477 387 A N 2.023 124.854 122.820 0.019 0.000 1.927 387 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 387 A C 2.329 179.914 177.584 0.003 0.000 1.185 387 A CA 2.707 54.750 52.037 0.010 0.000 0.639 387 A CB -1.530 17.477 19.000 0.011 0.000 0.820 387 A HN 0.751 nan 8.150 nan 0.000 0.451 388 G N -0.565 108.236 108.800 0.003 0.000 2.491 388 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 388 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 388 G C 1.770 176.664 174.900 -0.009 0.000 1.180 388 G CA 2.371 47.469 45.100 -0.002 0.000 0.774 388 G HN 0.749 nan 8.290 nan 0.000 0.562 389 T N -1.491 113.053 114.554 -0.016 0.000 2.904 389 T HA 0.029 4.379 4.350 -0.000 0.000 0.267 389 T C 2.320 177.001 174.700 -0.031 0.000 1.059 389 T CA 1.314 63.398 62.100 -0.028 0.000 1.137 389 T CB -0.173 68.669 68.868 -0.043 0.000 0.879 389 T HN 0.211 nan 8.240 nan 0.000 0.467 390 M N 1.197 120.781 119.600 -0.027 0.000 2.065 390 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 390 M C 2.586 178.877 176.300 -0.015 0.000 1.069 390 M CA 1.937 57.220 55.300 -0.027 0.000 1.110 390 M CB -0.297 32.292 32.600 -0.019 0.000 1.328 390 M HN 0.228 nan 8.290 nan 0.000 0.405 391 K N 0.117 120.513 120.400 -0.006 0.000 2.089 391 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 391 K C 1.870 178.470 176.600 0.001 0.000 1.048 391 K CA 1.765 58.053 56.287 0.001 0.000 0.926 391 K CB -0.338 32.163 32.500 0.001 0.000 0.714 391 K HN 0.324 nan 8.250 nan 0.000 0.448 392 L N 1.815 123.034 121.223 -0.006 0.000 2.056 392 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 392 L C 2.054 178.922 176.870 -0.004 0.000 1.078 392 L CA 1.733 56.569 54.840 -0.007 0.000 0.749 392 L CB -0.268 41.783 42.059 -0.013 0.000 0.901 392 L HN 0.251 nan 8.230 nan 0.000 0.433 393 E N -0.700 119.493 120.200 -0.012 0.000 2.107 393 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 393 E C 2.331 178.949 176.600 0.029 0.000 0.982 393 E CA 1.138 57.532 56.400 -0.009 0.000 0.809 393 E CB -0.406 29.267 29.700 -0.045 0.000 0.756 393 E HN 0.487 nan 8.360 nan 0.000 0.459 394 L N 1.193 122.434 121.223 0.030 0.000 1.970 394 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 394 L C 2.792 179.723 176.870 0.101 0.000 1.071 394 L CA 1.297 56.189 54.840 0.087 0.000 0.751 394 L CB -0.688 41.407 42.059 0.060 0.000 0.889 394 L HN 0.157 nan 8.230 nan 0.000 0.432 395 A N -0.540 122.306 122.820 0.043 0.000 1.948 395 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 395 A C 2.159 179.748 177.584 0.008 0.000 1.177 395 A CA 1.921 53.968 52.037 0.016 0.000 0.636 395 A CB -0.572 18.429 19.000 0.001 0.000 0.815 395 A HN 0.560 nan 8.150 nan 0.000 0.449 396 Q N -2.434 117.382 119.800 0.026 0.000 2.167 396 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 396 Q C 1.985 178.014 176.000 0.048 0.000 0.970 396 Q CA 1.553 57.368 55.803 0.020 0.000 0.855 396 Q CB -0.270 28.479 28.738 0.018 0.000 0.911 396 Q HN 0.881 nan 8.270 nan 0.000 0.438 397 Y N 1.307 121.570 120.300 -0.061 0.000 2.184 397 Y HA -0.074 4.476 4.550 -0.000 0.000 0.290 397 Y C 2.049 177.896 175.900 -0.087 0.000 1.129 397 Y CA 1.227 59.287 58.100 -0.067 0.000 1.144 397 Y CB -0.101 38.329 38.460 -0.050 0.000 0.995 397 Y HN -0.157 nan 8.280 nan 0.000 0.513 398 R N 0.425 120.833 120.500 -0.154 0.000 2.154 398 R HA -0.202 4.138 4.340 -0.000 0.000 0.248 398 R C 2.201 178.339 176.300 -0.269 0.000 1.155 398 R CA 1.861 57.805 56.100 -0.261 0.000 0.979 398 R CB -0.222 30.010 30.300 -0.113 0.000 0.869 398 R HN 0.536 nan 8.270 nan 0.000 0.452 399 E N -0.427 119.649 120.200 -0.206 0.000 2.106 399 E HA -0.129 4.220 4.350 -0.000 0.000 0.192 399 E C 1.779 178.136 176.600 -0.405 0.000 0.984 399 E CA 1.280 57.540 56.400 -0.232 0.000 0.806 399 E CB 0.258 29.868 29.700 -0.150 0.000 0.750 399 E HN 0.164 nan 8.360 nan 0.000 0.458 400 V N 0.634 120.300 119.914 -0.414 0.000 3.125 400 V HA -0.003 4.117 4.120 -0.000 0.000 0.249 400 V C 2.168 177.926 176.094 -0.561 0.000 1.113 400 V CA 0.868 62.805 62.300 -0.604 0.000 1.106 400 V CB -0.059 31.599 31.823 -0.275 0.000 0.768 400 V HN 0.211 nan 8.190 nan 0.000 0.468 401 A N 1.326 123.825 122.820 -0.534 0.000 1.916 401 A HA -0.414 3.906 4.320 -0.000 0.000 0.224 401 A C 2.414 179.869 177.584 -0.214 0.000 1.366 401 A CA 3.142 54.858 52.037 -0.535 0.000 0.692 401 A CB -1.226 17.280 19.000 -0.823 0.000 0.841 401 A HN 0.733 nan 8.150 nan 0.000 0.480 402 A N -1.821 120.875 122.820 -0.207 0.000 2.032 402 A HA -0.049 4.270 4.320 -0.000 0.000 0.221 402 A C 1.904 179.634 177.584 0.244 0.000 1.165 402 A CA 1.895 53.933 52.037 0.001 0.000 0.645 402 A CB -0.734 18.262 19.000 -0.008 0.000 0.807 402 A HN 0.539 nan 8.150 nan 0.000 0.453 403 F N 0.013 119.976 119.950 0.021 0.000 2.186 403 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 403 F C 2.760 178.625 175.800 0.109 0.000 1.090 403 F CA -0.031 58.008 58.000 0.064 0.000 1.307 403 F CB -1.499 37.526 39.000 0.041 0.000 1.019 403 F HN 0.313 nan 8.300 nan 0.000 0.489 404 A N 0.520 123.511 122.820 0.286 0.000 1.879 404 A HA -0.356 3.964 4.320 -0.000 0.000 0.222 404 A C 2.039 179.719 177.584 0.161 0.000 1.368 404 A CA 2.484 54.638 52.037 0.195 0.000 0.707 404 A CB -1.407 17.689 19.000 0.160 0.000 0.846 404 A HN 0.471 nan 8.150 nan 0.000 0.468 405 Q N -2.229 117.667 119.800 0.161 0.000 2.585 405 Q HA -0.100 4.239 4.340 -0.000 0.000 0.219 405 Q C 0.157 176.105 176.000 -0.086 0.000 0.984 405 Q CA 1.150 56.990 55.803 0.060 0.000 0.915 405 Q CB -0.211 28.587 28.738 0.100 0.000 0.967 405 Q HN 0.756 nan 8.270 nan 0.000 0.530 406 F N -2.831 117.151 119.950 0.054 0.000 3.022 406 F HA 0.250 4.777 4.527 -0.000 0.000 0.351 406 F C 1.109 176.910 175.800 0.001 0.000 1.170 406 F CA -0.540 57.473 58.000 0.021 0.000 1.066 406 F CB 0.839 39.843 39.000 0.007 0.000 1.297 406 F HN -0.127 nan 8.300 nan 0.000 0.519 407 G N 0.277 109.171 108.800 0.156 0.000 3.084 407 G HA2 0.054 4.014 3.960 -0.000 0.000 0.254 407 G HA3 0.054 4.014 3.960 -0.000 0.000 0.254 407 G C 0.910 175.841 174.900 0.053 0.000 0.834 407 G CA 0.360 45.519 45.100 0.099 0.000 1.999 407 G HN 0.230 nan 8.290 nan 0.000 0.611 408 S N -0.126 115.602 115.700 0.045 0.000 2.528 408 S HA -0.070 4.400 4.470 -0.000 0.000 0.244 408 S C 0.757 175.365 174.600 0.014 0.000 0.982 408 S CA 1.138 59.352 58.200 0.023 0.000 0.953 408 S CB 0.094 63.312 63.200 0.029 0.000 0.754 408 S HN 0.611 nan 8.310 nan 0.000 0.529 409 D N -0.235 120.173 120.400 0.013 0.000 0.000 409 D HA 0.154 4.794 4.640 -0.000 0.000 0.000 409 D C -0.950 175.355 176.300 0.009 0.000 0.000 409 D CA -0.116 53.889 54.000 0.008 0.000 0.000 409 D CB -0.174 40.627 40.800 0.001 0.000 0.000 409 D HN 0.111 nan 8.370 nan 0.000 0.000 410 L N 0.627 121.865 121.223 0.025 0.000 2.395 410 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 410 L C 0.817 177.708 176.870 0.036 0.000 1.133 410 L CA -1.048 53.814 54.840 0.038 0.000 0.812 410 L CB 0.403 42.511 42.059 0.082 0.000 1.125 410 L HN 0.179 nan 8.230 nan 0.000 0.452 411 D N 1.019 121.441 120.400 0.036 0.000 2.364 411 D HA 0.129 4.769 4.640 -0.000 0.000 0.236 411 D C 0.840 177.160 176.300 0.032 0.000 1.221 411 D CA 0.010 54.027 54.000 0.029 0.000 0.891 411 D CB 0.898 41.715 40.800 0.029 0.000 1.190 411 D HN 0.605 nan 8.370 nan 0.000 0.449 412 A N 0.758 123.591 122.820 0.021 0.000 2.209 412 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 412 A C 2.049 179.644 177.584 0.018 0.000 1.158 412 A CA 1.099 53.147 52.037 0.017 0.000 0.742 412 A CB -0.968 18.036 19.000 0.008 0.000 0.790 412 A HN 0.659 nan 8.150 nan 0.000 0.472 413 A N 0.205 123.039 122.820 0.022 0.000 1.832 413 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 413 A C 2.506 180.108 177.584 0.031 0.000 1.200 413 A CA 2.482 54.532 52.037 0.021 0.000 0.610 413 A CB -1.417 17.596 19.000 0.023 0.000 0.842 413 A HN 0.759 nan 8.150 nan 0.000 0.444 414 T N -2.328 112.258 114.554 0.053 0.000 2.867 414 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 414 T C 1.941 176.687 174.700 0.077 0.000 1.057 414 T CA 1.580 63.724 62.100 0.074 0.000 1.136 414 T CB -0.454 68.487 68.868 0.121 0.000 0.874 414 T HN 0.536 nan 8.240 nan 0.000 0.466 415 Q N 0.311 120.151 119.800 0.067 0.000 2.234 415 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 415 Q C 2.426 178.447 176.000 0.034 0.000 0.980 415 Q CA 1.783 57.621 55.803 0.059 0.000 0.869 415 Q CB -0.180 28.584 28.738 0.043 0.000 0.912 415 Q HN 0.672 nan 8.270 nan 0.000 0.436 416 Q N 0.759 120.571 119.800 0.020 0.000 2.020 416 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 416 Q C 2.124 178.118 176.000 -0.010 0.000 0.974 416 Q CA 1.981 57.781 55.803 -0.006 0.000 0.829 416 Q CB -0.504 28.224 28.738 -0.016 0.000 0.894 416 Q HN 0.581 nan 8.270 nan 0.000 0.433 417 L N -1.414 119.819 121.223 0.016 0.000 2.191 417 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 417 L C 2.233 179.139 176.870 0.061 0.000 1.103 417 L CA 1.001 55.858 54.840 0.029 0.000 0.769 417 L CB -0.810 41.280 42.059 0.052 0.000 0.908 417 L HN 0.135 nan 8.230 nan 0.000 0.438 418 L N -0.221 121.060 121.223 0.096 0.000 2.046 418 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 418 L C 2.866 179.707 176.870 -0.048 0.000 1.077 418 L CA 1.215 56.144 54.840 0.149 0.000 0.747 418 L CB -0.537 41.622 42.059 0.166 0.000 0.896 418 L HN 0.260 nan 8.230 nan 0.000 0.432 419 S N -0.557 115.109 115.700 -0.057 0.000 2.348 419 S HA -0.200 4.270 4.470 -0.000 0.000 0.221 419 S C 2.103 176.594 174.600 -0.181 0.000 1.033 419 S CA 1.221 59.358 58.200 -0.105 0.000 1.010 419 S CB -0.141 63.015 63.200 -0.073 0.000 0.891 419 S HN 0.213 nan 8.310 nan 0.000 0.442 420 R N 1.246 121.644 120.500 -0.170 0.000 2.103 420 R HA -0.045 4.295 4.340 -0.000 0.000 0.242 420 R C 2.206 178.319 176.300 -0.312 0.000 1.142 420 R CA 1.875 57.857 56.100 -0.197 0.000 0.960 420 R CB -1.418 28.797 30.300 -0.143 0.000 0.858 420 R HN 0.419 nan 8.270 nan 0.000 0.439 421 G N -0.151 108.354 108.800 -0.490 0.000 2.545 421 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 421 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 421 G C 1.481 175.786 174.900 -0.992 0.000 1.218 421 G CA 1.970 46.385 45.100 -1.142 0.000 0.787 421 G HN 0.376 nan 8.290 nan 0.000 0.571 422 V N -0.642 118.820 119.914 -0.753 0.000 2.392 422 V HA -0.088 4.031 4.120 -0.000 0.000 0.249 422 V C 2.708 178.665 176.094 -0.227 0.000 1.059 422 V CA 2.390 64.478 62.300 -0.353 0.000 1.051 422 V CB -0.622 31.104 31.823 -0.163 0.000 0.658 422 V HN 0.208 nan 8.190 nan 0.000 0.455 423 R N 0.478 120.841 120.500 -0.228 0.000 2.062 423 R HA 0.180 4.520 4.340 -0.000 0.000 0.231 423 R C 2.344 178.548 176.300 -0.160 0.000 1.136 423 R CA 1.995 57.989 56.100 -0.176 0.000 0.948 423 R CB -1.010 29.180 30.300 -0.184 0.000 0.845 423 R HN 0.540 nan 8.270 nan 0.000 0.430 424 L N -0.135 120.980 121.223 -0.180 0.000 2.042 424 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 424 L C 2.126 178.937 176.870 -0.097 0.000 1.076 424 L CA 1.760 56.520 54.840 -0.132 0.000 0.749 424 L CB -0.874 41.107 42.059 -0.129 0.000 0.893 424 L HN 0.306 nan 8.230 nan 0.000 0.432 425 T N -0.919 113.563 114.554 -0.119 0.000 2.684 425 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 425 T C 1.776 176.453 174.700 -0.039 0.000 1.036 425 T CA 1.263 63.331 62.100 -0.054 0.000 1.148 425 T CB -0.164 68.682 68.868 -0.037 0.000 0.863 425 T HN 0.314 nan 8.240 nan 0.000 0.436 426 E N 0.904 121.070 120.200 -0.057 0.000 2.204 426 E HA 0.004 4.353 4.350 -0.000 0.000 0.195 426 E C 2.249 178.832 176.600 -0.028 0.000 0.990 426 E CA 0.566 56.943 56.400 -0.038 0.000 0.821 426 E CB -0.300 29.372 29.700 -0.047 0.000 0.750 426 E HN 0.484 nan 8.360 nan 0.000 0.477 427 L N 0.215 121.415 121.223 -0.039 0.000 2.156 427 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 427 L C 2.329 179.196 176.870 -0.005 0.000 1.095 427 L CA 0.572 55.400 54.840 -0.021 0.000 0.770 427 L CB -0.267 41.771 42.059 -0.035 0.000 0.914 427 L HN 0.112 nan 8.230 nan 0.000 0.439 428 L N -0.696 120.521 121.223 -0.010 0.000 2.376 428 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 428 L C 1.164 178.033 176.870 -0.003 0.000 1.133 428 L CA 0.383 55.221 54.840 -0.002 0.000 0.816 428 L CB -0.414 41.647 42.059 0.003 0.000 0.933 428 L HN 0.125 nan 8.230 nan 0.000 0.449 429 K N 0.795 121.191 120.400 -0.008 0.000 2.344 429 K HA 0.162 4.482 4.320 -0.000 0.000 0.260 429 K C -0.087 176.506 176.600 -0.012 0.000 0.988 429 K CA 0.550 56.827 56.287 -0.017 0.000 0.909 429 K CB 0.356 32.844 32.500 -0.020 0.000 0.968 429 K HN 0.048 nan 8.250 nan 0.000 0.505 430 Q N -0.742 119.044 119.800 -0.024 0.000 2.503 430 Q HA 0.210 4.550 4.340 -0.000 0.000 0.268 430 Q C -0.987 174.995 176.000 -0.030 0.000 0.982 430 Q CA -0.536 55.256 55.803 -0.018 0.000 0.907 430 Q CB 1.879 30.608 28.738 -0.016 0.000 1.467 430 Q HN 0.835 nan 8.270 nan 0.000 0.394 431 G N 1.129 109.921 108.800 -0.014 0.000 2.562 431 G HA2 0.311 4.271 3.960 -0.000 0.000 0.275 431 G HA3 0.311 4.271 3.960 -0.000 0.000 0.275 431 G C -0.557 174.317 174.900 -0.043 0.000 1.196 431 G CA -0.044 45.050 45.100 -0.010 0.000 0.908 431 G HN 0.503 nan 8.290 nan 0.000 0.524 432 Q N -1.474 118.281 119.800 -0.076 0.000 2.256 432 Q HA 0.366 4.706 4.340 -0.000 0.000 0.232 432 Q C -0.318 175.580 176.000 -0.171 0.000 0.965 432 Q CA -0.505 55.116 55.803 -0.303 0.000 0.908 432 Q CB 0.536 28.938 28.738 -0.560 0.000 1.209 432 Q HN 0.586 nan 8.270 nan 0.000 0.489 433 Y N -1.433 118.870 120.300 0.005 0.000 4.705 433 Y HA -0.290 4.260 4.550 -0.000 0.000 0.226 433 Y C -0.159 175.741 175.900 -0.001 0.000 1.039 433 Y CA 0.871 58.970 58.100 -0.001 0.000 1.968 433 Y CB -2.441 36.016 38.460 -0.005 0.000 1.614 433 Y HN 0.401 nan 8.280 nan 0.000 0.619 434 S N -1.356 114.390 115.700 0.077 0.000 2.204 434 S HA 0.511 4.981 4.470 -0.000 0.000 0.147 434 S C -2.671 171.942 174.600 0.020 0.000 1.711 434 S CA -1.201 57.031 58.200 0.054 0.000 1.274 434 S CB 1.549 64.782 63.200 0.055 0.000 1.257 434 S HN 0.033 nan 8.310 nan 0.000 0.404 435 P HA 0.261 nan 4.420 nan 0.000 0.276 435 P C 0.033 177.334 177.300 0.002 0.000 1.235 435 P CA -0.239 62.868 63.100 0.011 0.000 0.772 435 P CB 0.564 32.277 31.700 0.021 0.000 0.871 436 M N 1.415 121.017 119.600 0.004 0.000 2.444 436 M HA 0.722 5.202 4.480 -0.000 0.000 0.319 436 M C 0.045 176.343 176.300 -0.003 0.000 1.183 436 M CA -1.111 54.186 55.300 -0.005 0.000 1.032 436 M CB 1.231 33.830 32.600 -0.002 0.000 1.569 436 M HN 0.183 nan 8.290 nan 0.000 0.468 437 A N 1.479 124.284 122.820 -0.024 0.000 2.425 437 A HA 0.300 4.620 4.320 -0.000 0.000 0.249 437 A C 0.873 178.466 177.584 0.015 0.000 1.084 437 A CA -0.597 51.430 52.037 -0.018 0.000 0.781 437 A CB 0.091 19.055 19.000 -0.060 0.000 1.019 437 A HN 0.956 nan 8.150 nan 0.000 0.490 438 I N 1.174 121.774 120.570 0.050 0.000 2.300 438 I HA -0.268 3.902 4.170 -0.000 0.000 0.252 438 I C 1.891 178.022 176.117 0.024 0.000 1.119 438 I CA 2.182 63.508 61.300 0.044 0.000 1.384 438 I CB -0.308 37.725 38.000 0.055 0.000 1.062 438 I HN 0.831 nan 8.210 nan 0.000 0.426 439 E N -0.030 120.176 120.200 0.011 0.000 2.152 439 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 439 E C 2.045 178.638 176.600 -0.011 0.000 0.983 439 E CA 1.300 57.696 56.400 -0.005 0.000 0.818 439 E CB -0.353 29.335 29.700 -0.020 0.000 0.758 439 E HN 0.563 nan 8.360 nan 0.000 0.467 440 E N 0.838 121.029 120.200 -0.015 0.000 2.107 440 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 440 E C 2.091 178.705 176.600 0.024 0.000 0.982 440 E CA 0.932 57.323 56.400 -0.016 0.000 0.809 440 E CB -0.011 29.671 29.700 -0.030 0.000 0.756 440 E HN 0.302 nan 8.360 nan 0.000 0.459 441 Q N 0.236 120.053 119.800 0.028 0.000 2.050 441 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 441 Q C 2.608 178.646 176.000 0.063 0.000 0.980 441 Q CA 1.821 57.650 55.803 0.044 0.000 0.840 441 Q CB -0.330 28.429 28.738 0.035 0.000 0.898 441 Q HN 0.343 nan 8.270 nan 0.000 0.424 442 V N -0.743 119.204 119.914 0.056 0.000 2.407 442 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 442 V C 2.131 178.295 176.094 0.116 0.000 1.055 442 V CA 1.917 64.263 62.300 0.077 0.000 1.049 442 V CB -0.999 30.860 31.823 0.059 0.000 0.662 442 V HN 0.310 nan 8.190 nan 0.000 0.455 443 A N 0.223 123.096 122.820 0.089 0.000 1.908 443 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 443 A C 2.404 180.155 177.584 0.277 0.000 1.181 443 A CA 2.535 54.651 52.037 0.132 0.000 0.627 443 A CB -0.997 18.049 19.000 0.077 0.000 0.818 443 A HN 0.558 nan 8.150 nan 0.000 0.445 444 V N 0.654 120.713 119.914 0.242 0.000 2.270 444 V HA -0.225 3.894 4.120 -0.000 0.000 0.245 444 V C 2.462 178.637 176.094 0.134 0.000 1.043 444 V CA 1.702 64.135 62.300 0.221 0.000 1.014 444 V CB -0.683 31.247 31.823 0.179 0.000 0.645 444 V HN 0.517 nan 8.190 nan 0.000 0.447 445 I N -0.193 120.445 120.570 0.114 0.000 2.194 445 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 445 I C 2.482 178.653 176.117 0.091 0.000 1.093 445 I CA 2.224 63.568 61.300 0.073 0.000 1.355 445 I CB -1.282 36.756 38.000 0.063 0.000 1.046 445 I HN 0.454 nan 8.210 nan 0.000 0.413 446 Y N 2.218 122.530 120.300 0.020 0.000 2.151 446 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 446 Y C 2.585 178.507 175.900 0.037 0.000 1.166 446 Y CA 1.804 59.923 58.100 0.031 0.000 1.163 446 Y CB -0.422 38.073 38.460 0.058 0.000 0.974 446 Y HN 0.134 nan 8.280 nan 0.000 0.511 447 A N 0.313 123.260 122.820 0.212 0.000 1.859 447 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 447 A C 2.539 180.077 177.584 -0.076 0.000 1.198 447 A CA 2.207 54.287 52.037 0.072 0.000 0.629 447 A CB -1.757 17.158 19.000 -0.142 0.000 0.830 447 A HN 0.606 nan 8.150 nan 0.000 0.446 448 G N -1.200 107.520 108.800 -0.134 0.000 2.404 448 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 448 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 448 G C 1.612 176.392 174.900 -0.199 0.000 1.174 448 G CA 1.120 46.110 45.100 -0.183 0.000 0.780 448 G HN 0.530 nan 8.290 nan 0.000 0.537 449 V N 0.757 120.566 119.914 -0.175 0.000 2.380 449 V HA -0.131 3.988 4.120 -0.000 0.000 0.251 449 V C 2.813 178.740 176.094 -0.279 0.000 1.063 449 V CA 1.953 64.139 62.300 -0.189 0.000 1.055 449 V CB -0.318 31.425 31.823 -0.133 0.000 0.657 449 V HN 0.226 nan 8.190 nan 0.000 0.455 450 R N -0.225 120.028 120.500 -0.412 0.000 2.236 450 R HA 0.145 4.485 4.340 -0.000 0.000 0.208 450 R C 1.791 177.731 176.300 -0.600 0.000 1.036 450 R CA 0.888 56.651 56.100 -0.561 0.000 1.001 450 R CB -0.529 29.286 30.300 -0.808 0.000 0.896 450 R HN 0.752 nan 8.270 nan 0.000 0.464 451 G N -0.461 108.054 108.800 -0.475 0.000 2.179 451 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 451 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 451 G C 0.565 175.221 174.900 -0.406 0.000 0.990 451 G CA 0.136 44.990 45.100 -0.410 0.000 0.646 451 G HN 0.285 nan 8.290 nan 0.000 0.517 452 Y N 0.722 120.894 120.300 -0.214 0.000 2.256 452 Y HA 0.048 4.598 4.550 -0.000 0.000 0.288 452 Y C 2.729 178.460 175.900 -0.281 0.000 1.155 452 Y CA 1.842 59.816 58.100 -0.209 0.000 1.203 452 Y CB -0.269 38.078 38.460 -0.189 0.000 0.980 452 Y HN 0.436 nan 8.280 nan 0.000 0.530 453 L N -1.164 119.920 121.223 -0.231 0.000 2.607 453 L HA 0.108 4.447 4.340 -0.000 0.000 0.228 453 L C 1.076 177.820 176.870 -0.209 0.000 1.123 453 L CA 0.020 54.667 54.840 -0.322 0.000 0.890 453 L CB -0.260 41.523 42.059 -0.459 0.000 1.103 453 L HN -0.025 nan 8.230 nan 0.000 0.468 454 D N 1.918 122.214 120.400 -0.173 0.000 2.158 454 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 454 D C 1.869 178.111 176.300 -0.096 0.000 0.995 454 D CA 1.499 55.417 54.000 -0.137 0.000 0.846 454 D CB 0.034 40.753 40.800 -0.135 0.000 0.941 454 D HN 0.349 nan 8.370 nan 0.000 0.456 455 K N -0.458 119.897 120.400 -0.076 0.000 2.400 455 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 455 K C 0.624 177.209 176.600 -0.025 0.000 1.033 455 K CA -0.356 55.908 56.287 -0.039 0.000 1.021 455 K CB 0.288 32.779 32.500 -0.016 0.000 0.808 455 K HN 0.023 nan 8.250 nan 0.000 0.505 456 L N 1.933 123.124 121.223 -0.054 0.000 2.479 456 L HA 0.039 4.379 4.340 -0.000 0.000 0.270 456 L C 0.024 176.884 176.870 -0.017 0.000 1.236 456 L CA 0.278 55.098 54.840 -0.032 0.000 0.823 456 L CB 0.525 42.501 42.059 -0.138 0.000 1.098 456 L HN 0.079 nan 8.230 nan 0.000 0.500 457 E N 3.702 123.920 120.200 0.031 0.000 2.229 457 E HA 0.207 4.557 4.350 -0.000 0.000 0.283 457 E C -1.809 174.801 176.600 0.017 0.000 1.030 457 E CA -1.717 54.701 56.400 0.030 0.000 0.836 457 E CB 1.292 31.027 29.700 0.059 0.000 1.068 457 E HN 0.457 nan 8.360 nan 0.000 0.401 458 P HA -0.244 nan 4.420 nan 0.000 0.217 458 P C 1.101 178.409 177.300 0.015 0.000 1.151 458 P CA 1.470 64.563 63.100 -0.012 0.000 0.849 458 P CB 0.065 31.756 31.700 -0.015 0.000 0.787 459 S N -1.581 114.140 115.700 0.035 0.000 2.507 459 S HA -0.060 4.409 4.470 -0.000 0.000 0.235 459 S C 1.501 176.153 174.600 0.087 0.000 0.988 459 S CA 0.975 59.206 58.200 0.052 0.000 0.944 459 S CB -0.579 62.651 63.200 0.051 0.000 0.762 459 S HN 0.117 nan 8.310 nan 0.000 0.526 460 K N 0.651 121.116 120.400 0.109 0.000 2.354 460 K HA 0.437 4.756 4.320 -0.000 0.000 0.194 460 K C 1.630 178.316 176.600 0.144 0.000 1.045 460 K CA 0.043 56.445 56.287 0.192 0.000 1.026 460 K CB -0.155 32.544 32.500 0.331 0.000 0.866 460 K HN 0.241 nan 8.250 nan 0.000 0.530 461 I N 1.408 122.006 120.570 0.047 0.000 2.185 461 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 461 I C 1.414 177.580 176.117 0.082 0.000 1.088 461 I CA 1.744 63.046 61.300 0.003 0.000 1.347 461 I CB -1.498 36.465 38.000 -0.062 0.000 1.041 461 I HN 0.175 nan 8.210 nan 0.000 0.415 462 T N 0.698 115.300 114.554 0.079 0.000 2.746 462 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 462 T C 1.981 176.755 174.700 0.123 0.000 1.039 462 T CA 1.503 63.654 62.100 0.085 0.000 1.142 462 T CB -0.194 68.712 68.868 0.063 0.000 0.866 462 T HN 0.345 nan 8.240 nan 0.000 0.444 463 K N 0.101 120.601 120.400 0.167 0.000 2.025 463 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 463 K C 2.121 178.845 176.600 0.205 0.000 1.049 463 K CA 0.971 57.393 56.287 0.224 0.000 0.933 463 K CB -0.324 32.381 32.500 0.341 0.000 0.714 463 K HN 0.309 nan 8.250 nan 0.000 0.438 464 F N 2.550 122.450 119.950 -0.083 0.000 2.025 464 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 464 F C 2.383 178.119 175.800 -0.106 0.000 1.132 464 F CA 2.371 60.148 58.000 -0.371 0.000 1.191 464 F CB -0.606 38.080 39.000 -0.524 0.000 0.963 464 F HN 0.204 nan 8.300 nan 0.000 0.481 465 E N 0.226 120.595 120.200 0.282 0.000 2.065 465 E HA -0.370 3.980 4.350 -0.000 0.000 0.201 465 E C 2.246 178.886 176.600 0.066 0.000 1.016 465 E CA 1.623 58.151 56.400 0.212 0.000 0.818 465 E CB -0.602 29.211 29.700 0.188 0.000 0.749 465 E HN 0.480 nan 8.360 nan 0.000 0.453 466 N N 0.261 119.000 118.700 0.066 0.000 2.037 466 N HA -0.232 4.508 4.740 -0.000 0.000 0.196 466 N C 1.720 177.247 175.510 0.029 0.000 1.034 466 N CA 2.085 55.166 53.050 0.052 0.000 0.861 466 N CB -0.378 38.158 38.487 0.082 0.000 1.039 466 N HN 0.297 nan 8.380 nan 0.000 0.427 467 A N -0.124 122.729 122.820 0.055 0.000 1.897 467 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 467 A C 2.185 179.764 177.584 -0.008 0.000 1.181 467 A CA 0.939 53.062 52.037 0.143 0.000 0.620 467 A CB -0.966 18.247 19.000 0.356 0.000 0.821 467 A HN 0.433 nan 8.150 nan 0.000 0.443 468 F N 0.248 119.821 119.950 -0.629 0.000 2.102 468 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 468 F C 1.781 177.259 175.800 -0.537 0.000 1.105 468 F CA 1.780 59.035 58.000 -1.241 0.000 1.239 468 F CB -0.361 37.730 39.000 -1.516 0.000 0.991 468 F HN 0.177 nan 8.300 nan 0.000 0.474 469 L N -0.035 120.957 121.223 -0.386 0.000 2.201 469 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 469 L C 2.351 179.065 176.870 -0.260 0.000 1.105 469 L CA 1.790 56.427 54.840 -0.338 0.000 0.775 469 L CB -0.929 41.072 42.059 -0.095 0.000 0.913 469 L HN 0.141 nan 8.230 nan 0.000 0.440 470 S N -1.682 113.929 115.700 -0.147 0.000 2.383 470 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 470 S C 1.860 176.438 174.600 -0.037 0.000 1.026 470 S CA 1.176 59.343 58.200 -0.055 0.000 0.981 470 S CB -0.499 62.714 63.200 0.022 0.000 0.818 470 S HN 0.678 nan 8.310 nan 0.000 0.472 471 H N 1.868 120.837 119.070 -0.170 0.000 2.270 471 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 471 H C 1.877 177.122 175.328 -0.138 0.000 1.077 471 H CA 1.892 57.880 56.048 -0.100 0.000 1.294 471 H CB -0.702 29.059 29.762 -0.002 0.000 1.371 471 H HN 0.141 nan 8.280 nan 0.000 0.491 472 V N 0.563 120.132 119.914 -0.574 0.000 2.490 472 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 472 V C 2.701 178.629 176.094 -0.277 0.000 1.061 472 V CA 1.780 63.775 62.300 -0.508 0.000 1.064 472 V CB -0.547 30.852 31.823 -0.706 0.000 0.670 472 V HN 0.416 nan 8.190 nan 0.000 0.461 473 I N -0.104 120.324 120.570 -0.237 0.000 2.676 473 I HA -0.158 4.011 4.170 -0.000 0.000 0.259 473 I C 2.519 178.566 176.117 -0.117 0.000 1.194 473 I CA 1.384 62.594 61.300 -0.150 0.000 1.473 473 I CB -0.045 37.882 38.000 -0.121 0.000 1.096 473 I HN 0.408 nan 8.210 nan 0.000 0.443 474 S N 0.019 115.649 115.700 -0.116 0.000 2.324 474 S HA -0.099 4.371 4.470 -0.000 0.000 0.210 474 S C 1.946 176.478 174.600 -0.114 0.000 1.027 474 S CA 0.555 58.709 58.200 -0.077 0.000 0.945 474 S CB -0.115 63.078 63.200 -0.011 0.000 0.908 474 S HN 0.280 nan 8.310 nan 0.000 0.496 475 Q N 0.181 119.878 119.800 -0.170 0.000 2.020 475 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 475 Q C 0.730 176.472 176.000 -0.431 0.000 0.974 475 Q CA 1.255 56.890 55.803 -0.280 0.000 0.829 475 Q CB -0.476 28.063 28.738 -0.331 0.000 0.894 475 Q HN 0.748 nan 8.270 nan 0.000 0.433 476 H N 0.745 119.636 119.070 -0.298 0.000 2.655 476 H HA 0.162 4.718 4.556 -0.000 0.000 0.309 476 H C 0.842 176.063 175.328 -0.179 0.000 1.180 476 H CA -0.081 55.829 56.048 -0.230 0.000 1.087 476 H CB 0.127 29.721 29.762 -0.279 0.000 1.494 476 H HN 0.159 nan 8.280 nan 0.000 0.515 477 Q N 0.109 119.854 119.800 -0.093 0.000 2.541 477 Q HA 0.009 4.349 4.340 -0.000 0.000 0.215 477 Q C 1.670 177.635 176.000 -0.058 0.000 0.977 477 Q CA 0.647 56.405 55.803 -0.076 0.000 0.934 477 Q CB 0.349 29.039 28.738 -0.079 0.000 0.988 477 Q HN 0.635 nan 8.270 nan 0.000 0.521 478 A N 0.244 123.033 122.820 -0.052 0.000 1.997 478 A HA 0.004 4.324 4.320 -0.000 0.000 0.212 478 A C 1.879 179.448 177.584 -0.024 0.000 1.178 478 A CA 0.090 52.104 52.037 -0.039 0.000 0.698 478 A CB -0.212 18.763 19.000 -0.043 0.000 0.842 478 A HN 0.348 nan 8.150 nan 0.000 0.458 479 L N -0.240 120.977 121.223 -0.010 0.000 2.072 479 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 479 L C 2.290 179.134 176.870 -0.043 0.000 1.079 479 L CA 1.144 55.973 54.840 -0.019 0.000 0.752 479 L CB -0.257 41.794 42.059 -0.015 0.000 0.906 479 L HN 0.399 nan 8.230 nan 0.000 0.436 480 L N -0.579 120.614 121.223 -0.051 0.000 2.083 480 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 480 L C 2.645 179.490 176.870 -0.042 0.000 1.083 480 L CA 1.249 56.054 54.840 -0.058 0.000 0.752 480 L CB -1.282 40.733 42.059 -0.072 0.000 0.899 480 L HN 0.344 nan 8.230 nan 0.000 0.433 481 G N 0.020 108.796 108.800 -0.039 0.000 2.440 481 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 481 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 481 G C 1.678 176.564 174.900 -0.023 0.000 1.154 481 G CA 0.661 45.743 45.100 -0.031 0.000 0.767 481 G HN 0.269 nan 8.290 nan 0.000 0.552 482 K N -0.108 120.278 120.400 -0.024 0.000 1.977 482 K HA -0.056 4.264 4.320 -0.000 0.000 0.218 482 K C 2.460 179.048 176.600 -0.019 0.000 1.051 482 K CA 1.395 57.670 56.287 -0.020 0.000 0.953 482 K CB -0.405 32.083 32.500 -0.021 0.000 0.727 482 K HN 0.280 nan 8.250 nan 0.000 0.445 483 I N 0.846 121.399 120.570 -0.028 0.000 2.143 483 I HA -0.419 3.751 4.170 -0.000 0.000 0.245 483 I C 2.750 178.859 176.117 -0.013 0.000 1.068 483 I CA 1.501 62.786 61.300 -0.026 0.000 1.326 483 I CB -0.291 37.685 38.000 -0.040 0.000 1.028 483 I HN 0.271 nan 8.210 nan 0.000 0.412 484 R N 0.219 120.711 120.500 -0.013 0.000 2.109 484 R HA -0.191 4.148 4.340 -0.000 0.000 0.227 484 R C 2.320 178.621 176.300 0.000 0.000 1.132 484 R CA 2.569 58.667 56.100 -0.002 0.000 0.907 484 R CB -0.683 29.613 30.300 -0.005 0.000 0.825 484 R HN 0.221 nan 8.270 nan 0.000 0.432 485 T N 1.251 115.803 114.554 -0.003 0.000 2.516 485 T HA -0.185 4.165 4.350 -0.000 0.000 0.261 485 T C 1.260 175.959 174.700 -0.001 0.000 1.130 485 T CA 2.128 64.227 62.100 -0.002 0.000 1.193 485 T CB -0.672 68.193 68.868 -0.005 0.000 0.864 485 T HN 0.404 nan 8.240 nan 0.000 0.410 486 D N 0.305 120.703 120.400 -0.004 0.000 2.357 486 D HA 0.032 4.672 4.640 -0.000 0.000 0.216 486 D C 1.658 177.958 176.300 0.000 0.000 0.973 486 D CA 1.129 55.128 54.000 -0.002 0.000 0.912 486 D CB -0.802 39.996 40.800 -0.003 0.000 0.900 486 D HN 0.614 nan 8.370 nan 0.000 0.501 487 G N 0.368 109.168 108.800 0.000 0.000 2.238 487 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.270 487 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.270 487 G C 0.487 175.389 174.900 0.004 0.000 0.977 487 G CA 1.470 46.571 45.100 0.002 0.000 0.639 487 G HN 0.623 nan 8.290 nan 0.000 0.544 488 K N -1.694 118.708 120.400 0.004 0.000 2.305 488 K HA 0.788 5.108 4.320 -0.000 0.000 0.268 488 K C -1.027 175.576 176.600 0.006 0.000 1.034 488 K CA -1.362 54.931 56.287 0.010 0.000 0.879 488 K CB 0.862 33.370 32.500 0.013 0.000 1.506 488 K HN 0.067 nan 8.250 nan 0.000 0.425 489 I N 2.777 123.357 120.570 0.017 0.000 2.310 489 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 489 I C -0.248 175.880 176.117 0.018 0.000 1.073 489 I CA -0.011 61.294 61.300 0.009 0.000 1.216 489 I CB 1.119 39.135 38.000 0.025 0.000 1.415 489 I HN 0.685 nan 8.210 nan 0.000 0.480 490 S N 3.409 119.112 115.700 0.005 0.000 2.576 490 S HA 0.048 4.518 4.470 -0.000 0.000 0.272 490 S C 1.254 175.866 174.600 0.020 0.000 1.352 490 S CA -0.459 57.748 58.200 0.011 0.000 1.021 490 S CB 0.868 64.071 63.200 0.004 0.000 0.887 490 S HN 0.720 nan 8.310 nan 0.000 0.542 491 E N 0.767 120.982 120.200 0.026 0.000 2.171 491 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 491 E C 1.660 178.279 176.600 0.032 0.000 0.997 491 E CA 1.431 57.852 56.400 0.035 0.000 0.810 491 E CB -0.023 29.695 29.700 0.030 0.000 0.738 491 E HN 0.826 nan 8.360 nan 0.000 0.467 492 E N -0.171 120.041 120.200 0.019 0.000 1.999 492 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 492 E C 2.189 178.791 176.600 0.004 0.000 0.995 492 E CA 1.124 57.532 56.400 0.014 0.000 0.825 492 E CB -0.057 29.648 29.700 0.008 0.000 0.777 492 E HN 0.103 nan 8.360 nan 0.000 0.459 493 S N 1.283 116.975 115.700 -0.012 0.000 2.423 493 S HA -0.208 4.262 4.470 -0.000 0.000 0.238 493 S C 1.534 176.089 174.600 -0.076 0.000 1.028 493 S CA 1.176 59.350 58.200 -0.043 0.000 1.000 493 S CB -0.330 62.838 63.200 -0.054 0.000 0.797 493 S HN 0.314 nan 8.310 nan 0.000 0.487 494 D N 1.436 121.816 120.400 -0.033 0.000 2.097 494 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 494 D C 2.081 178.408 176.300 0.045 0.000 0.989 494 D CA 1.323 55.322 54.000 -0.001 0.000 0.827 494 D CB -0.179 40.680 40.800 0.098 0.000 0.966 494 D HN 0.382 nan 8.370 nan 0.000 0.456 495 A N 0.897 123.747 122.820 0.050 0.000 1.930 495 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 495 A C 2.199 179.803 177.584 0.034 0.000 1.175 495 A CA 1.706 53.781 52.037 0.062 0.000 0.627 495 A CB -0.491 18.541 19.000 0.053 0.000 0.815 495 A HN 0.246 nan 8.150 nan 0.000 0.443 496 K N -0.415 119.987 120.400 0.002 0.000 2.097 496 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 496 K C 1.816 178.384 176.600 -0.054 0.000 1.049 496 K CA 1.162 57.443 56.287 -0.010 0.000 0.933 496 K CB -0.275 32.221 32.500 -0.006 0.000 0.717 496 K HN 0.450 nan 8.250 nan 0.000 0.442 497 L N 1.042 122.200 121.223 -0.108 0.000 2.093 497 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 497 L C 2.618 179.453 176.870 -0.059 0.000 1.085 497 L CA 1.335 56.073 54.840 -0.169 0.000 0.755 497 L CB -0.317 41.446 42.059 -0.495 0.000 0.904 497 L HN 0.236 nan 8.230 nan 0.000 0.435 498 K N 0.057 120.478 120.400 0.035 0.000 2.032 498 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 498 K C 1.963 178.522 176.600 -0.069 0.000 1.048 498 K CA 1.795 58.100 56.287 0.030 0.000 0.927 498 K CB 0.081 32.688 32.500 0.178 0.000 0.712 498 K HN 0.115 nan 8.250 nan 0.000 0.441 499 E N 0.826 121.025 120.200 -0.002 0.000 2.047 499 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 499 E C 1.893 178.511 176.600 0.031 0.000 0.987 499 E CA 1.242 57.654 56.400 0.020 0.000 0.799 499 E CB -0.122 29.607 29.700 0.048 0.000 0.752 499 E HN 0.346 nan 8.360 nan 0.000 0.449 500 I N 0.266 120.845 120.570 0.014 0.000 2.194 500 I HA -0.289 3.881 4.170 -0.000 0.000 0.246 500 I C 2.318 178.542 176.117 0.179 0.000 1.093 500 I CA 1.412 62.742 61.300 0.050 0.000 1.355 500 I CB -0.461 37.438 38.000 -0.168 0.000 1.046 500 I HN 0.125 nan 8.210 nan 0.000 0.413 501 V N -1.789 118.146 119.914 0.035 0.000 2.535 501 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 501 V C 2.485 178.569 176.094 -0.016 0.000 1.045 501 V CA 1.642 63.922 62.300 -0.032 0.000 1.058 501 V CB -1.365 30.242 31.823 -0.361 0.000 0.689 501 V HN 0.524 nan 8.190 nan 0.000 0.461 502 T N -1.366 113.108 114.554 -0.133 0.000 2.833 502 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 502 T C 1.799 176.549 174.700 0.083 0.000 1.054 502 T CA 1.788 63.870 62.100 -0.031 0.000 1.135 502 T CB -0.699 68.152 68.868 -0.028 0.000 0.869 502 T HN 0.509 nan 8.240 nan 0.000 0.466 503 N N 0.344 119.112 118.700 0.114 0.000 2.251 503 N HA 0.126 4.866 4.740 -0.000 0.000 0.181 503 N C 1.424 177.026 175.510 0.153 0.000 1.019 503 N CA 0.605 53.728 53.050 0.122 0.000 0.862 503 N CB -0.498 38.055 38.487 0.110 0.000 0.992 503 N HN 0.395 nan 8.380 nan 0.000 0.429 504 F N 2.124 122.128 119.950 0.090 0.000 2.102 504 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 504 F C 2.222 178.121 175.800 0.165 0.000 1.105 504 F CA 0.974 59.034 58.000 0.100 0.000 1.239 504 F CB -0.351 38.750 39.000 0.169 0.000 0.991 504 F HN -0.071 nan 8.300 nan 0.000 0.474 505 L N -0.364 121.138 121.223 0.466 0.000 2.012 505 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 505 L C 2.768 179.810 176.870 0.287 0.000 1.073 505 L CA 1.369 56.477 54.840 0.447 0.000 0.748 505 L CB -1.009 41.242 42.059 0.319 0.000 0.891 505 L HN 0.271 nan 8.230 nan 0.000 0.431 506 A N 0.012 122.935 122.820 0.170 0.000 1.873 506 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 506 A C 2.343 179.959 177.584 0.053 0.000 1.193 506 A CA 2.089 54.185 52.037 0.099 0.000 0.629 506 A CB -1.535 17.505 19.000 0.066 0.000 0.826 506 A HN 0.499 nan 8.150 nan 0.000 0.447 507 G N -1.462 107.333 108.800 -0.009 0.000 2.491 507 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 507 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 507 G C 1.473 176.315 174.900 -0.096 0.000 1.180 507 G CA 1.233 46.265 45.100 -0.112 0.000 0.774 507 G HN 0.465 nan 8.290 nan 0.000 0.562 508 F N 1.496 121.327 119.950 -0.198 0.000 2.115 508 F HA -0.099 4.427 4.527 -0.000 0.000 0.300 508 F C 2.209 178.009 175.800 -0.002 0.000 1.092 508 F CA 1.875 59.824 58.000 -0.085 0.000 1.245 508 F CB 0.077 39.145 39.000 0.112 0.000 0.995 508 F HN 0.217 nan 8.300 nan 0.000 0.481 509 E N 0.389 120.654 120.200 0.107 0.000 2.336 509 E HA 0.304 4.654 4.350 -0.000 0.000 0.214 509 E C 0.256 176.837 176.600 -0.031 0.000 1.144 509 E CA -0.253 56.163 56.400 0.027 0.000 1.294 509 E CB -0.024 29.754 29.700 0.130 0.000 1.263 509 E HN 0.335 nan 8.360 nan 0.000 0.439 510 A N 0.000 122.770 122.820 -0.084 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 510 A CB 0.000 18.951 19.000 -0.082 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486