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 3mvr_1_A DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMRDFGM GKRSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEKDKS DATA SEQUENCE DPSSEFHHQN LILTVLSLFF AGTETTSTTL RYGFLLMLKY PHVTERVQKE DATA SEQUENCE IEQVIGSHRP PALDDRAKMP YTDAVIHEIQ RLGDLIPFGV PHTVTKDTQF DATA SEQUENCE RGYVIPKNTE VFPVLSSALH DPRYFETPNT FNPGHFLDAN GALKRNEGFM DATA SEQUENCE PFSLGKRICL GEGIARTELF LFFTTILQNF SIASPVPPED IDLTPXXSGV DATA SEQUENCE GNVPPSYQIR FLARH 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 28 G C 0.000 175.054 174.900 0.256 0.000 0.946 28 G CA 0.000 45.280 45.100 0.300 0.000 0.502 29 K N 0.243 120.752 120.400 0.181 0.000 2.063 29 K HA 0.464 4.782 4.320 -0.002 0.000 0.204 29 K C 1.212 177.918 176.600 0.176 0.000 1.039 29 K CA 0.273 56.659 56.287 0.165 0.000 0.957 29 K CB -0.594 31.967 32.500 0.102 0.000 0.764 29 K HN 0.284 nan 8.250 nan 0.000 0.447 30 L N 1.975 123.257 121.223 0.098 0.000 2.439 30 L HA 0.253 4.592 4.340 -0.002 0.000 0.261 30 L C -2.048 174.725 176.870 -0.162 0.000 1.153 30 L CA -2.253 52.593 54.840 0.010 0.000 0.808 30 L CB 0.734 42.786 42.059 -0.012 0.000 1.126 30 L HN 0.053 nan 8.230 nan 0.000 0.460 31 P HA 0.017 nan 4.420 nan 0.000 0.269 31 P C -2.461 174.586 177.300 -0.421 0.000 1.211 31 P CA -0.678 61.832 63.100 -0.983 0.000 0.781 31 P CB -0.248 31.076 31.700 -0.628 0.000 0.877 32 P HA 0.266 nan 4.420 nan 0.000 0.272 32 P C -0.077 177.127 177.300 -0.160 0.000 1.230 32 P CA 0.392 63.454 63.100 -0.064 0.000 0.788 32 P CB 0.690 32.463 31.700 0.123 0.000 0.949 33 G N 0.689 109.286 108.800 -0.339 0.000 2.441 33 G HA2 0.428 4.386 3.960 -0.002 0.000 0.294 33 G HA3 0.428 4.386 3.960 -0.002 0.000 0.294 33 G C -3.299 171.170 174.900 -0.719 0.000 1.393 33 G CA -0.878 43.711 45.100 -0.853 0.000 0.796 33 G HN 0.360 nan 8.290 nan 0.000 0.494 34 P HA 0.305 nan 4.420 nan 0.000 0.271 34 P C 0.042 177.299 177.300 -0.070 0.000 1.216 34 P CA 0.059 63.066 63.100 -0.154 0.000 0.776 34 P CB 1.414 33.084 31.700 -0.050 0.000 0.881 35 S N 3.599 119.283 115.700 -0.026 0.000 2.488 35 S HA 0.260 4.729 4.470 -0.002 0.000 0.278 35 S C -1.868 172.673 174.600 -0.098 0.000 1.259 35 S CA -1.107 57.056 58.200 -0.062 0.000 1.061 35 S CB -0.583 62.597 63.200 -0.032 0.000 0.910 35 S HN 0.296 nan 8.310 nan 0.000 0.491 36 P HA 0.360 nan 4.420 nan 0.000 0.278 36 P C -1.010 176.187 177.300 -0.172 0.000 1.258 36 P CA -0.758 62.202 63.100 -0.232 0.000 0.811 36 P CB 0.620 31.972 31.700 -0.581 0.000 1.063 37 L N 2.298 123.457 121.223 -0.106 0.000 2.360 37 L HA 0.498 4.837 4.340 -0.002 0.000 0.271 37 L C -2.074 174.750 176.870 -0.076 0.000 1.057 37 L CA -1.889 52.907 54.840 -0.074 0.000 0.803 37 L CB -0.040 41.998 42.059 -0.035 0.000 1.207 37 L HN 0.290 nan 8.230 nan 0.000 0.445 38 P HA 0.319 nan 4.420 nan 0.000 0.275 38 P C 0.527 177.825 177.300 -0.003 0.000 1.228 38 P CA -0.118 62.959 63.100 -0.038 0.000 0.786 38 P CB 1.090 32.772 31.700 -0.031 0.000 0.927 39 V N 0.871 120.802 119.914 0.028 0.000 0.516 39 V HA -0.344 3.775 4.120 -0.002 0.000 0.092 39 V C 1.838 178.025 176.094 0.155 0.000 2.243 39 V CA 2.166 64.507 62.300 0.069 0.000 3.573 39 V CB -1.980 29.855 31.823 0.021 0.000 0.862 39 V HN 0.522 nan 8.190 nan 0.000 0.902 40 L N 0.689 121.983 121.223 0.119 0.000 2.492 40 L HA 0.415 4.754 4.340 -0.002 0.000 0.223 40 L C 1.829 178.810 176.870 0.184 0.000 1.132 40 L CA 1.023 55.991 54.840 0.213 0.000 0.850 40 L CB -0.575 41.531 42.059 0.078 0.000 0.966 40 L HN 0.901 nan 8.230 nan 0.000 0.454 41 G N 1.385 110.240 108.800 0.092 0.000 2.634 41 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.309 41 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.309 41 G C 0.322 175.255 174.900 0.055 0.000 1.265 41 G CA 0.738 45.883 45.100 0.075 0.000 0.998 41 G HN 0.494 nan 8.290 nan 0.000 0.551 42 N N 0.702 119.455 118.700 0.088 0.000 2.327 42 N HA 0.358 5.097 4.740 -0.002 0.000 0.231 42 N C 1.781 177.325 175.510 0.057 0.000 1.130 42 N CA 0.021 53.109 53.050 0.064 0.000 0.845 42 N CB 0.316 38.853 38.487 0.083 0.000 1.073 42 N HN 0.460 nan 8.380 nan 0.000 0.496 43 L N 0.546 121.818 121.223 0.082 0.000 2.021 43 L HA -0.199 4.140 4.340 -0.002 0.000 0.215 43 L C 1.430 178.338 176.870 0.065 0.000 1.074 43 L CA 1.859 56.760 54.840 0.102 0.000 0.760 43 L CB -0.248 41.923 42.059 0.187 0.000 0.889 43 L HN 0.343 nan 8.230 nan 0.000 0.433 44 L N -1.279 119.973 121.223 0.048 0.000 2.465 44 L HA -0.123 4.216 4.340 -0.002 0.000 0.224 44 L C 1.798 178.687 176.870 0.032 0.000 1.145 44 L CA 0.338 55.198 54.840 0.033 0.000 0.834 44 L CB -0.361 41.710 42.059 0.020 0.000 0.944 44 L HN 0.369 nan 8.230 nan 0.000 0.451 45 Q N -1.228 118.593 119.800 0.036 0.000 2.282 45 Q HA 0.196 4.535 4.340 -0.002 0.000 0.206 45 Q C 0.330 176.349 176.000 0.032 0.000 0.878 45 Q CA 0.239 56.065 55.803 0.038 0.000 0.944 45 Q CB 0.392 29.160 28.738 0.049 0.000 1.100 45 Q HN 0.240 nan 8.270 nan 0.000 0.509 46 M N 0.354 119.969 119.600 0.026 0.000 2.202 46 M HA 0.186 4.665 4.480 -0.002 0.000 0.316 46 M C 0.057 176.364 176.300 0.013 0.000 1.138 46 M CA -0.075 55.228 55.300 0.005 0.000 1.151 46 M CB 0.332 32.925 32.600 -0.011 0.000 1.422 46 M HN 0.000 nan 8.290 nan 0.000 0.471 47 D N 0.385 120.784 120.400 -0.002 0.000 2.192 47 D HA 0.258 4.897 4.640 -0.002 0.000 0.246 47 D C 0.633 176.966 176.300 0.056 0.000 1.042 47 D CA -0.263 53.747 54.000 0.018 0.000 0.847 47 D CB 1.527 42.330 40.800 0.005 0.000 1.186 47 D HN 0.459 nan 8.370 nan 0.000 0.461 48 R N 2.032 122.575 120.500 0.071 0.000 2.152 48 R HA -0.153 4.186 4.340 -0.002 0.000 0.232 48 R C 2.119 178.489 176.300 0.117 0.000 1.117 48 R CA 1.723 57.892 56.100 0.114 0.000 0.981 48 R CB -0.001 30.317 30.300 0.031 0.000 0.870 48 R HN 0.459 nan 8.270 nan 0.000 0.451 49 K N 1.083 121.522 120.400 0.065 0.000 2.360 49 K HA 0.044 4.363 4.320 -0.002 0.000 0.201 49 K C 0.808 177.483 176.600 0.125 0.000 1.046 49 K CA 1.336 57.660 56.287 0.063 0.000 0.945 49 K CB -0.448 32.074 32.500 0.036 0.000 0.750 49 K HN 0.534 nan 8.250 nan 0.000 0.464 50 G N -2.179 106.698 108.800 0.129 0.000 2.353 50 G HA2 0.037 3.996 3.960 -0.002 0.000 0.424 50 G HA3 0.037 3.996 3.960 -0.002 0.000 0.424 50 G C 0.446 175.262 174.900 -0.139 0.000 1.320 50 G CA -0.221 44.928 45.100 0.082 0.000 0.995 50 G HN 0.252 nan 8.290 nan 0.000 0.580 51 L N -0.235 120.808 121.223 -0.300 0.000 2.012 51 L HA -0.077 4.262 4.340 -0.002 0.000 0.210 51 L C 2.997 179.301 176.870 -0.944 0.000 1.073 51 L CA 2.026 56.379 54.840 -0.811 0.000 0.748 51 L CB -0.426 41.005 42.059 -1.046 0.000 0.891 51 L HN 0.570 nan 8.230 nan 0.000 0.431 52 L N 0.107 121.112 121.223 -0.364 0.000 1.994 52 L HA -0.226 4.113 4.340 -0.002 0.000 0.208 52 L C 2.724 179.591 176.870 -0.005 0.000 1.071 52 L CA 1.729 56.566 54.840 -0.006 0.000 0.745 52 L CB -0.527 41.705 42.059 0.289 0.000 0.892 52 L HN 0.085 nan 8.230 nan 0.000 0.431 53 R N -0.369 120.118 120.500 -0.021 0.000 2.105 53 R HA -0.113 4.226 4.340 -0.002 0.000 0.239 53 R C 2.267 178.557 176.300 -0.017 0.000 1.135 53 R CA 1.924 58.027 56.100 0.005 0.000 0.967 53 R CB -0.882 29.426 30.300 0.012 0.000 0.861 53 R HN 0.514 nan 8.270 nan 0.000 0.442 54 S N 0.056 115.681 115.700 -0.125 0.000 2.370 54 S HA -0.102 4.367 4.470 -0.002 0.000 0.226 54 S C 1.570 176.211 174.600 0.068 0.000 1.033 54 S CA 1.365 59.501 58.200 -0.106 0.000 1.011 54 S CB -0.387 62.660 63.200 -0.255 0.000 0.852 54 S HN 0.230 nan 8.310 nan 0.000 0.457 55 F N 1.587 121.569 119.950 0.053 0.000 2.113 55 F HA 0.077 4.603 4.527 -0.002 0.000 0.297 55 F C 2.060 177.977 175.800 0.196 0.000 1.103 55 F CA 0.160 58.280 58.000 0.200 0.000 1.248 55 F CB -1.263 37.831 39.000 0.156 0.000 0.999 55 F HN 0.128 nan 8.300 nan 0.000 0.475 56 L N -0.739 120.671 121.223 0.312 0.000 2.093 56 L HA -0.164 4.174 4.340 -0.002 0.000 0.208 56 L C 2.582 179.521 176.870 0.115 0.000 1.085 56 L CA 1.081 56.046 54.840 0.208 0.000 0.755 56 L CB -0.574 41.577 42.059 0.153 0.000 0.904 56 L HN 0.009 nan 8.230 nan 0.000 0.435 57 R N 0.368 120.914 120.500 0.077 0.000 2.066 57 R HA -0.106 4.233 4.340 -0.002 0.000 0.232 57 R C 2.323 178.606 176.300 -0.027 0.000 1.131 57 R CA 1.295 57.408 56.100 0.022 0.000 0.955 57 R CB -0.258 30.051 30.300 0.016 0.000 0.851 57 R HN 0.221 nan 8.270 nan 0.000 0.432 58 L N 0.166 121.346 121.223 -0.072 0.000 2.131 58 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 58 L C 2.739 179.356 176.870 -0.422 0.000 1.092 58 L CA 1.244 55.917 54.840 -0.279 0.000 0.759 58 L CB -0.424 41.295 42.059 -0.568 0.000 0.903 58 L HN 0.256 nan 8.230 nan 0.000 0.435 59 R N 0.165 120.521 120.500 -0.239 0.000 2.091 59 R HA -0.190 4.148 4.340 -0.002 0.000 0.238 59 R C 2.124 178.425 176.300 0.001 0.000 1.136 59 R CA 1.469 57.572 56.100 0.006 0.000 0.959 59 R CB -0.044 30.392 30.300 0.227 0.000 0.856 59 R HN 0.293 nan 8.270 nan 0.000 0.437 60 E N 0.641 120.833 120.200 -0.014 0.000 2.118 60 E HA -0.209 4.139 4.350 -0.002 0.000 0.195 60 E C 1.780 178.331 176.600 -0.082 0.000 0.992 60 E CA 1.151 57.537 56.400 -0.023 0.000 0.804 60 E CB -0.114 29.576 29.700 -0.017 0.000 0.741 60 E HN 0.355 nan 8.360 nan 0.000 0.458 61 K N -0.595 119.710 120.400 -0.158 0.000 2.067 61 K HA -0.062 4.257 4.320 -0.002 0.000 0.203 61 K C 1.634 177.994 176.600 -0.400 0.000 1.048 61 K CA 0.801 56.887 56.287 -0.334 0.000 0.954 61 K CB 0.055 32.247 32.500 -0.514 0.000 0.737 61 K HN 0.125 nan 8.250 nan 0.000 0.444 62 Y N -0.219 120.002 120.300 -0.133 0.000 2.478 62 Y HA 0.211 4.760 4.550 -0.002 0.000 0.261 62 Y C 0.937 176.859 175.900 0.037 0.000 1.127 62 Y CA 0.273 58.330 58.100 -0.072 0.000 1.288 62 Y CB 1.179 39.552 38.460 -0.144 0.000 1.084 62 Y HN 0.329 nan 8.280 nan 0.000 0.530 63 G N 0.341 109.239 108.800 0.163 0.000 2.631 63 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.504 63 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.504 63 G C -0.296 174.782 174.900 0.297 0.000 1.306 63 G CA -0.204 45.011 45.100 0.193 0.000 0.897 63 G HN 0.116 nan 8.290 nan 0.000 0.520 64 D N -0.939 119.604 120.400 0.238 0.000 2.264 64 D HA 0.126 4.765 4.640 -0.002 0.000 0.208 64 D C 1.212 177.638 176.300 0.210 0.000 0.966 64 D CA 1.655 55.791 54.000 0.226 0.000 0.864 64 D CB 0.189 41.084 40.800 0.158 0.000 0.933 64 D HN 0.490 nan 8.370 nan 0.000 0.499 65 V N 1.732 121.785 119.914 0.232 0.000 2.409 65 V HA 0.414 4.532 4.120 -0.002 0.000 0.290 65 V C -0.554 175.609 176.094 0.116 0.000 1.017 65 V CA -0.955 61.420 62.300 0.124 0.000 0.841 65 V CB 1.016 32.996 31.823 0.261 0.000 1.003 65 V HN 0.019 nan 8.190 nan 0.000 0.426 66 F N 1.333 121.237 119.950 -0.078 0.000 2.664 66 F HA 0.884 5.410 4.527 -0.002 0.000 0.317 66 F C -0.387 175.283 175.800 -0.217 0.000 1.108 66 F CA -0.848 57.058 58.000 -0.156 0.000 0.957 66 F CB 1.832 40.770 39.000 -0.103 0.000 1.365 66 F HN 0.188 nan 8.300 nan 0.000 0.475 67 T N 2.115 116.662 114.554 -0.011 0.000 2.779 67 T HA 0.598 4.947 4.350 -0.002 0.000 0.280 67 T C -1.297 173.403 174.700 -0.000 0.000 0.987 67 T CA -0.640 61.385 62.100 -0.125 0.000 0.966 67 T CB 1.471 70.257 68.868 -0.135 0.000 0.933 67 T HN 0.744 nan 8.240 nan 0.000 0.442 68 V N 4.410 124.269 119.914 -0.092 0.000 2.656 68 V HA 0.544 4.663 4.120 -0.002 0.000 0.307 68 V C -1.684 174.331 176.094 -0.132 0.000 1.051 68 V CA -0.894 61.414 62.300 0.012 0.000 0.893 68 V CB 1.462 33.374 31.823 0.147 0.000 0.999 68 V HN 0.857 nan 8.190 nan 0.000 0.426 69 Y N 6.443 126.705 120.300 -0.064 0.000 2.383 69 Y HA 0.500 5.049 4.550 -0.002 0.000 0.344 69 Y C 0.345 176.186 175.900 -0.098 0.000 0.986 69 Y CA -0.408 57.647 58.100 -0.075 0.000 1.175 69 Y CB 1.076 39.503 38.460 -0.056 0.000 1.152 69 Y HN 0.428 nan 8.280 nan 0.000 0.511 70 L N 4.774 125.955 121.223 -0.071 0.000 2.272 70 L HA 0.473 4.812 4.340 -0.002 0.000 0.284 70 L C 1.046 177.792 176.870 -0.207 0.000 1.045 70 L CA -0.357 54.384 54.840 -0.165 0.000 0.842 70 L CB 0.222 42.167 42.059 -0.189 0.000 1.224 70 L HN 0.974 nan 8.230 nan 0.000 0.430 71 G N 2.583 111.210 108.800 -0.288 0.000 2.596 71 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.295 71 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.295 71 G C 0.863 175.782 174.900 0.032 0.000 1.240 71 G CA 0.410 45.403 45.100 -0.179 0.000 0.985 71 G HN 0.521 nan 8.290 nan 0.000 0.555 72 S N 0.819 116.549 115.700 0.050 0.000 2.453 72 S HA 0.042 4.510 4.470 -0.002 0.000 0.231 72 S C 1.349 176.043 174.600 0.157 0.000 1.005 72 S CA 1.286 59.555 58.200 0.116 0.000 0.949 72 S CB -0.085 63.159 63.200 0.075 0.000 0.774 72 S HN 0.540 nan 8.310 nan 0.000 0.510 73 R N 2.367 122.885 120.500 0.030 0.000 2.267 73 R HA 0.221 4.560 4.340 -0.002 0.000 0.319 73 R C -2.710 173.424 176.300 -0.277 0.000 1.067 73 R CA -1.672 54.385 56.100 -0.073 0.000 0.936 73 R CB 0.387 30.637 30.300 -0.083 0.000 1.006 73 R HN 0.156 nan 8.270 nan 0.000 0.452 74 P HA 0.096 nan 4.420 nan 0.000 0.280 74 P C -0.785 176.238 177.300 -0.461 0.000 1.244 74 P CA -0.200 62.348 63.100 -0.920 0.000 0.784 74 P CB 1.316 32.502 31.700 -0.858 0.000 0.913 75 V N 4.140 123.790 119.914 -0.440 0.000 2.569 75 V HA 0.150 4.269 4.120 -0.002 0.000 0.301 75 V C 0.159 176.039 176.094 -0.356 0.000 1.044 75 V CA -0.848 61.265 62.300 -0.310 0.000 0.874 75 V CB 2.337 33.955 31.823 -0.342 0.000 1.002 75 V HN 0.254 nan 8.190 nan 0.000 0.424 76 V N 5.843 125.596 119.914 -0.269 0.000 2.488 76 V HA 0.326 4.445 4.120 -0.002 0.000 0.277 76 V C 0.094 175.937 176.094 -0.418 0.000 1.046 76 V CA -0.227 61.885 62.300 -0.313 0.000 0.986 76 V CB 1.563 33.277 31.823 -0.181 0.000 0.989 76 V HN 0.605 nan 8.190 nan 0.000 0.475 77 V N 6.929 126.407 119.914 -0.727 0.000 2.398 77 V HA 0.446 4.565 4.120 -0.002 0.000 0.286 77 V C -0.109 175.608 176.094 -0.629 0.000 1.026 77 V CA -0.537 61.233 62.300 -0.883 0.000 0.868 77 V CB 1.622 32.479 31.823 -1.611 0.000 0.982 77 V HN 0.618 nan 8.190 nan 0.000 0.443 78 L N 4.721 125.732 121.223 -0.352 0.000 2.294 78 L HA 0.545 4.884 4.340 -0.002 0.000 0.283 78 L C -0.609 176.208 176.870 -0.088 0.000 1.015 78 L CA -0.155 54.574 54.840 -0.185 0.000 0.831 78 L CB 1.311 43.252 42.059 -0.196 0.000 1.217 78 L HN 0.609 nan 8.230 nan 0.000 0.420 79 C N 2.192 121.493 119.300 0.002 0.000 2.435 79 C HA 0.928 5.387 4.460 -0.002 0.000 0.333 79 C C 0.769 175.822 174.990 0.104 0.000 1.202 79 C CA -0.572 58.498 59.018 0.087 0.000 1.830 79 C CB 1.058 28.900 27.740 0.170 0.000 2.326 79 C HN 1.059 nan 8.230 nan 0.000 0.507 80 G N 2.327 111.197 108.800 0.117 0.000 2.716 80 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.686 80 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.686 80 G C 0.250 175.211 174.900 0.103 0.000 1.337 80 G CA -0.140 45.035 45.100 0.126 0.000 0.829 80 G HN 0.807 nan 8.290 nan 0.000 0.599 81 T N 0.709 115.340 114.554 0.129 0.000 2.684 81 T HA -0.130 4.219 4.350 -0.002 0.000 0.267 81 T C 1.966 176.708 174.700 0.069 0.000 1.036 81 T CA 2.220 64.376 62.100 0.093 0.000 1.148 81 T CB -0.314 68.643 68.868 0.147 0.000 0.863 81 T HN 0.620 nan 8.240 nan 0.000 0.436 82 D N 1.294 121.751 120.400 0.096 0.000 2.084 82 D HA -0.014 4.625 4.640 -0.002 0.000 0.194 82 D C 2.411 178.750 176.300 0.065 0.000 0.990 82 D CA 1.398 55.442 54.000 0.072 0.000 0.826 82 D CB -0.618 40.224 40.800 0.069 0.000 0.971 82 D HN 0.406 nan 8.370 nan 0.000 0.453 83 A N 0.517 123.388 122.820 0.086 0.000 1.933 83 A HA -0.121 4.197 4.320 -0.002 0.000 0.218 83 A C 2.397 180.021 177.584 0.067 0.000 1.175 83 A CA 0.911 53.037 52.037 0.149 0.000 0.628 83 A CB -0.704 18.393 19.000 0.162 0.000 0.814 83 A HN 0.203 nan 8.150 nan 0.000 0.444 84 I N -0.988 119.573 120.570 -0.015 0.000 2.179 84 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 84 I C 2.790 178.830 176.117 -0.127 0.000 1.088 84 I CA 1.383 62.615 61.300 -0.114 0.000 1.357 84 I CB -0.335 37.615 38.000 -0.083 0.000 1.051 84 I HN 0.270 nan 8.210 nan 0.000 0.409 85 R N 0.602 121.070 120.500 -0.053 0.000 2.092 85 R HA -0.141 4.198 4.340 -0.002 0.000 0.231 85 R C 2.164 178.450 176.300 -0.023 0.000 1.119 85 R CA 1.231 57.307 56.100 -0.039 0.000 0.970 85 R CB -0.262 30.032 30.300 -0.011 0.000 0.864 85 R HN 0.434 nan 8.270 nan 0.000 0.440 86 E N 0.340 120.556 120.200 0.026 0.000 2.160 86 E HA -0.192 4.157 4.350 -0.002 0.000 0.195 86 E C 1.872 178.536 176.600 0.107 0.000 0.991 86 E CA 1.264 57.724 56.400 0.101 0.000 0.810 86 E CB -0.005 29.783 29.700 0.147 0.000 0.742 86 E HN 0.362 nan 8.360 nan 0.000 0.466 87 A N 0.903 123.620 122.820 -0.173 0.000 1.844 87 A HA -0.039 4.280 4.320 -0.002 0.000 0.212 87 A C 2.103 179.357 177.584 -0.550 0.000 1.221 87 A CA 0.615 52.091 52.037 -0.935 0.000 0.607 87 A CB -0.557 17.328 19.000 -1.858 0.000 0.878 87 A HN 0.101 nan 8.150 nan 0.000 0.451 88 L N -0.257 120.734 121.223 -0.387 0.000 2.291 88 L HA -0.079 4.259 4.340 -0.002 0.000 0.214 88 L C 2.096 178.953 176.870 -0.021 0.000 1.120 88 L CA 0.702 55.444 54.840 -0.163 0.000 0.799 88 L CB -0.294 41.661 42.059 -0.174 0.000 0.925 88 L HN 0.271 nan 8.230 nan 0.000 0.446 89 V N -1.422 118.480 119.914 -0.021 0.000 2.806 89 V HA -0.033 4.086 4.120 -0.002 0.000 0.239 89 V C 1.679 177.806 176.094 0.056 0.000 1.113 89 V CA 0.885 63.202 62.300 0.028 0.000 1.137 89 V CB -0.071 31.763 31.823 0.018 0.000 0.865 89 V HN 0.221 nan 8.190 nan 0.000 0.482 90 D N 0.185 120.620 120.400 0.059 0.000 2.234 90 D HA -0.046 4.593 4.640 -0.002 0.000 0.205 90 D C 1.390 177.770 176.300 0.133 0.000 0.962 90 D CA 0.932 54.985 54.000 0.088 0.000 0.855 90 D CB 0.061 40.915 40.800 0.089 0.000 0.951 90 D HN 0.436 nan 8.370 nan 0.000 0.500 91 Q N -0.162 119.749 119.800 0.184 0.000 2.462 91 Q HA 0.460 4.799 4.340 -0.002 0.000 0.395 91 Q C 0.702 176.874 176.000 0.287 0.000 0.911 91 Q CA -0.333 55.632 55.803 0.270 0.000 1.112 91 Q CB 1.482 30.493 28.738 0.455 0.000 1.350 91 Q HN 0.049 nan 8.270 nan 0.000 0.407 92 A N 0.699 123.629 122.820 0.184 0.000 1.908 92 A HA -0.263 4.056 4.320 -0.002 0.000 0.218 92 A C 1.975 179.670 177.584 0.184 0.000 1.181 92 A CA 2.011 54.151 52.037 0.171 0.000 0.627 92 A CB -0.050 19.027 19.000 0.129 0.000 0.818 92 A HN 0.419 nan 8.150 nan 0.000 0.445 93 E N 0.113 120.404 120.200 0.151 0.000 2.047 93 E HA -0.019 4.330 4.350 -0.002 0.000 0.191 93 E C 2.036 178.689 176.600 0.087 0.000 0.987 93 E CA 1.564 58.041 56.400 0.127 0.000 0.799 93 E CB -0.518 29.241 29.700 0.100 0.000 0.752 93 E HN 0.452 nan 8.360 nan 0.000 0.449 94 A N -0.465 122.393 122.820 0.062 0.000 1.940 94 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 94 A C 1.601 179.045 177.584 -0.234 0.000 1.176 94 A CA 1.308 53.287 52.037 -0.097 0.000 0.631 94 A CB -0.661 18.250 19.000 -0.147 0.000 0.814 94 A HN 0.354 nan 8.150 nan 0.000 0.446 95 F N 0.156 120.101 119.950 -0.009 0.000 2.668 95 F HA 0.119 4.645 4.527 -0.002 0.000 0.297 95 F C 1.916 177.758 175.800 0.071 0.000 1.124 95 F CA 0.510 58.500 58.000 -0.017 0.000 1.353 95 F CB 0.349 39.291 39.000 -0.096 0.000 0.992 95 F HN 0.251 nan 8.300 nan 0.000 0.524 96 S N -1.316 114.450 115.700 0.111 0.000 2.575 96 S HA 0.232 4.701 4.470 -0.002 0.000 0.215 96 S C 1.160 175.579 174.600 -0.301 0.000 0.966 96 S CA -0.104 58.081 58.200 -0.025 0.000 0.911 96 S CB -0.435 62.814 63.200 0.082 0.000 0.780 96 S HN 0.174 nan 8.310 nan 0.000 0.514 97 G N 1.234 109.914 108.800 -0.200 0.000 2.539 97 G HA2 0.504 4.463 3.960 -0.002 0.000 0.258 97 G HA3 0.504 4.463 3.960 -0.002 0.000 0.258 97 G C -0.557 174.108 174.900 -0.392 0.000 1.202 97 G CA -0.856 44.079 45.100 -0.274 0.000 0.851 97 G HN 0.455 nan 8.290 nan 0.000 0.556 98 R N 0.018 120.290 120.500 -0.380 0.000 2.494 98 R HA 0.591 4.930 4.340 -0.002 0.000 0.305 98 R C 0.344 176.550 176.300 -0.158 0.000 0.959 98 R CA -0.157 55.726 56.100 -0.363 0.000 0.864 98 R CB 1.173 31.221 30.300 -0.420 0.000 1.159 98 R HN 0.700 nan 8.270 nan 0.000 0.446 99 G N 2.637 111.376 108.800 -0.102 0.000 2.451 99 G HA2 0.300 4.259 3.960 -0.002 0.000 0.303 99 G HA3 0.300 4.259 3.960 -0.002 0.000 0.303 99 G C -0.863 174.078 174.900 0.068 0.000 1.166 99 G CA -0.722 44.368 45.100 -0.017 0.000 0.884 99 G HN 0.553 nan 8.290 nan 0.000 0.514 100 K N -0.263 120.162 120.400 0.042 0.000 2.202 100 K HA 0.329 4.648 4.320 -0.002 0.000 0.264 100 K C -0.359 176.248 176.600 0.012 0.000 1.010 100 K CA 0.031 56.310 56.287 -0.014 0.000 0.940 100 K CB 1.412 33.893 32.500 -0.033 0.000 0.983 100 K HN 0.256 nan 8.250 nan 0.000 0.475 101 I N 2.390 122.908 120.570 -0.087 0.000 2.355 101 I HA 0.097 4.265 4.170 -0.002 0.000 0.288 101 I C 0.983 177.126 176.117 0.043 0.000 0.999 101 I CA -0.292 61.035 61.300 0.045 0.000 1.163 101 I CB 1.780 39.855 38.000 0.126 0.000 1.316 101 I HN 0.809 nan 8.210 nan 0.000 0.454 102 A N 5.851 128.750 122.820 0.131 0.000 1.908 102 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 102 A C 2.096 179.881 177.584 0.334 0.000 1.181 102 A CA 2.248 54.403 52.037 0.197 0.000 0.627 102 A CB -0.625 18.472 19.000 0.162 0.000 0.818 102 A HN 0.715 nan 8.150 nan 0.000 0.445 103 V N -1.580 118.508 119.914 0.290 0.000 2.809 103 V HA -0.092 4.027 4.120 -0.002 0.000 0.256 103 V C 2.016 178.150 176.094 0.067 0.000 1.080 103 V CA 1.784 64.151 62.300 0.112 0.000 1.102 103 V CB -1.048 30.792 31.823 0.028 0.000 0.705 103 V HN 0.704 nan 8.190 nan 0.000 0.475 104 V N -2.815 117.131 119.914 0.054 0.000 3.645 104 V HA 0.237 4.356 4.120 -0.002 0.000 0.275 104 V C 2.028 178.106 176.094 -0.027 0.000 1.356 104 V CA 1.093 63.391 62.300 -0.002 0.000 1.051 104 V CB -0.059 31.773 31.823 0.014 0.000 0.828 104 V HN 0.451 nan 8.190 nan 0.000 0.441 105 D N 2.152 122.511 120.400 -0.067 0.000 2.158 105 D HA -0.093 4.546 4.640 -0.002 0.000 0.197 105 D C -0.294 176.027 176.300 0.035 0.000 0.995 105 D CA 2.090 56.053 54.000 -0.061 0.000 0.846 105 D CB -0.889 39.879 40.800 -0.055 0.000 0.941 105 D HN 0.401 nan 8.370 nan 0.000 0.456 106 P HA -0.069 nan 4.420 nan 0.000 0.222 106 P C 1.185 178.588 177.300 0.172 0.000 1.147 106 P CA 0.714 63.903 63.100 0.149 0.000 0.790 106 P CB 0.129 31.944 31.700 0.192 0.000 0.780 107 I N -2.286 118.287 120.570 0.005 0.000 2.296 107 I HA -0.082 4.087 4.170 -0.002 0.000 0.242 107 I C 2.057 178.015 176.117 -0.265 0.000 1.087 107 I CA 1.439 62.580 61.300 -0.265 0.000 1.393 107 I CB -1.346 36.308 38.000 -0.577 0.000 1.093 107 I HN -0.093 nan 8.210 nan 0.000 0.421 108 F N 1.102 120.996 119.950 -0.094 0.000 2.187 108 F HA -0.045 4.481 4.527 -0.002 0.000 0.295 108 F C 1.363 177.233 175.800 0.116 0.000 1.091 108 F CA 0.463 58.455 58.000 -0.013 0.000 1.308 108 F CB -0.534 38.412 39.000 -0.090 0.000 1.030 108 F HN 0.172 nan 8.300 nan 0.000 0.487 109 Q N -0.205 119.731 119.800 0.226 0.000 2.461 109 Q HA -0.254 4.085 4.340 -0.002 0.000 0.273 109 Q C 1.195 177.316 176.000 0.202 0.000 1.163 109 Q CA 0.368 56.302 55.803 0.219 0.000 0.929 109 Q CB -2.210 26.697 28.738 0.282 0.000 1.334 109 Q HN 0.718 nan 8.270 nan 0.000 0.499 110 G N -1.738 107.149 108.800 0.145 0.000 2.153 110 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.252 110 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.252 110 G C -0.250 174.592 174.900 -0.096 0.000 0.994 110 G CA 0.665 45.780 45.100 0.024 0.000 0.698 110 G HN 0.425 nan 8.290 nan 0.000 0.521 111 Y N -0.009 120.415 120.300 0.207 0.000 2.488 111 Y HA 0.583 5.132 4.550 -0.002 0.000 0.325 111 Y C 1.127 177.181 175.900 0.256 0.000 1.204 111 Y CA 0.189 58.411 58.100 0.203 0.000 1.229 111 Y CB 1.583 40.155 38.460 0.186 0.000 1.274 111 Y HN 1.168 nan 8.280 nan 0.000 0.493 112 G N -0.216 108.803 108.800 0.365 0.000 2.781 112 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.683 112 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.683 112 G C 0.340 175.354 174.900 0.191 0.000 1.390 112 G CA -0.360 44.907 45.100 0.277 0.000 0.850 112 G HN 0.909 nan 8.290 nan 0.000 0.557 113 V N 0.975 120.989 119.914 0.166 0.000 2.427 113 V HA -0.081 4.038 4.120 -0.002 0.000 0.248 113 V C 2.672 178.830 176.094 0.107 0.000 1.051 113 V CA 2.809 65.217 62.300 0.180 0.000 1.048 113 V CB -0.677 31.261 31.823 0.191 0.000 0.666 113 V HN 0.601 nan 8.190 nan 0.000 0.456 114 I N -1.104 119.392 120.570 -0.124 0.000 2.233 114 I HA -0.132 4.037 4.170 -0.002 0.000 0.243 114 I C 1.792 177.520 176.117 -0.648 0.000 1.093 114 I CA 1.643 62.657 61.300 -0.476 0.000 1.380 114 I CB -0.283 37.195 38.000 -0.869 0.000 1.067 114 I HN 0.267 nan 8.210 nan 0.000 0.413 115 F N 0.903 120.737 119.950 -0.194 0.000 2.695 115 F HA 0.389 4.915 4.527 -0.002 0.000 0.303 115 F C 1.355 177.081 175.800 -0.122 0.000 1.091 115 F CA -0.587 57.295 58.000 -0.197 0.000 1.300 115 F CB -0.476 38.382 39.000 -0.236 0.000 1.071 115 F HN -0.150 nan 8.300 nan 0.000 0.578 116 A N 0.392 123.247 122.820 0.058 0.000 2.346 116 A HA 0.400 4.719 4.320 -0.002 0.000 0.252 116 A C 0.328 177.914 177.584 0.003 0.000 1.089 116 A CA -0.121 51.949 52.037 0.056 0.000 0.797 116 A CB 0.248 19.334 19.000 0.142 0.000 1.047 116 A HN 0.251 nan 8.150 nan 0.000 0.494 117 N N -1.350 117.368 118.700 0.031 0.000 2.629 117 N HA 0.590 5.329 4.740 -0.002 0.000 0.279 117 N C 0.616 176.210 175.510 0.140 0.000 1.344 117 N CA 0.519 53.583 53.050 0.024 0.000 0.789 117 N CB 1.793 40.250 38.487 -0.049 0.000 1.508 117 N HN 1.276 nan 8.380 nan 0.000 0.516 118 G N 1.280 110.178 108.800 0.163 0.000 2.594 118 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.297 118 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.297 118 G C 0.902 175.903 174.900 0.169 0.000 1.273 118 G CA 1.176 46.367 45.100 0.152 0.000 0.974 118 G HN 0.650 nan 8.290 nan 0.000 0.552 119 E N 0.152 120.403 120.200 0.084 0.000 2.110 119 E HA -0.112 4.237 4.350 -0.002 0.000 0.193 119 E C 2.520 179.135 176.600 0.024 0.000 0.988 119 E CA 2.073 58.499 56.400 0.044 0.000 0.804 119 E CB -0.314 29.402 29.700 0.027 0.000 0.745 119 E HN 0.584 nan 8.360 nan 0.000 0.458 120 R N -0.867 119.652 120.500 0.032 0.000 2.080 120 R HA -0.194 4.145 4.340 -0.002 0.000 0.236 120 R C 2.198 178.521 176.300 0.038 0.000 1.137 120 R CA 1.866 57.962 56.100 -0.006 0.000 0.943 120 R CB -0.846 29.444 30.300 -0.016 0.000 0.846 120 R HN 0.398 nan 8.270 nan 0.000 0.431 121 W N 1.669 122.935 121.300 -0.057 0.000 2.335 121 W HA -0.165 4.494 4.660 -0.002 0.000 0.311 121 W C 2.060 178.574 176.519 -0.010 0.000 1.213 121 W CA 1.729 59.050 57.345 -0.040 0.000 1.274 121 W CB -0.314 29.116 29.460 -0.050 0.000 1.148 121 W HN 0.016 nan 8.180 nan 0.000 0.498 122 R N -0.028 120.288 120.500 -0.307 0.000 2.091 122 R HA -0.169 4.170 4.340 -0.002 0.000 0.238 122 R C 2.430 178.557 176.300 -0.288 0.000 1.136 122 R CA 1.844 57.645 56.100 -0.498 0.000 0.959 122 R CB -1.037 29.114 30.300 -0.248 0.000 0.856 122 R HN 0.290 nan 8.270 nan 0.000 0.437 123 A N 1.051 123.796 122.820 -0.125 0.000 1.873 123 A HA -0.110 4.209 4.320 -0.002 0.000 0.215 123 A C 2.180 179.808 177.584 0.074 0.000 1.186 123 A CA 1.096 53.139 52.037 0.010 0.000 0.616 123 A CB -0.477 18.530 19.000 0.012 0.000 0.823 123 A HN 0.174 nan 8.150 nan 0.000 0.442 124 L N -1.329 119.858 121.223 -0.060 0.000 2.093 124 L HA -0.120 4.219 4.340 -0.002 0.000 0.208 124 L C 2.786 179.744 176.870 0.147 0.000 1.085 124 L CA 1.607 56.477 54.840 0.050 0.000 0.755 124 L CB -0.417 41.654 42.059 0.020 0.000 0.904 124 L HN 0.460 nan 8.230 nan 0.000 0.435 125 R N 0.442 120.890 120.500 -0.088 0.000 2.066 125 R HA -0.178 4.161 4.340 -0.002 0.000 0.232 125 R C 2.489 178.766 176.300 -0.038 0.000 1.131 125 R CA 1.355 57.384 56.100 -0.118 0.000 0.955 125 R CB -0.136 29.881 30.300 -0.471 0.000 0.851 125 R HN 0.117 nan 8.270 nan 0.000 0.432 126 R N -0.473 119.982 120.500 -0.074 0.000 2.094 126 R HA -0.216 4.123 4.340 -0.002 0.000 0.239 126 R C 2.121 178.467 176.300 0.076 0.000 1.137 126 R CA 2.182 58.273 56.100 -0.014 0.000 0.943 126 R CB -0.549 29.738 30.300 -0.020 0.000 0.850 126 R HN 0.319 nan 8.270 nan 0.000 0.433 127 F N 0.800 120.778 119.950 0.047 0.000 2.095 127 F HA -0.199 4.327 4.527 -0.002 0.000 0.298 127 F C 2.216 178.060 175.800 0.074 0.000 1.104 127 F CA 2.038 60.070 58.000 0.055 0.000 1.232 127 F CB -0.279 38.846 39.000 0.208 0.000 0.987 127 F HN -0.005 nan 8.300 nan 0.000 0.475 128 S N 0.976 116.849 115.700 0.289 0.000 2.368 128 S HA -0.174 4.295 4.470 -0.002 0.000 0.224 128 S C 2.035 176.705 174.600 0.117 0.000 1.029 128 S CA 1.263 59.660 58.200 0.328 0.000 0.988 128 S CB -0.678 62.783 63.200 0.436 0.000 0.838 128 S HN 0.500 nan 8.310 nan 0.000 0.462 129 L N 1.300 122.553 121.223 0.051 0.000 1.989 129 L HA -0.188 4.151 4.340 -0.002 0.000 0.211 129 L C 2.529 179.376 176.870 -0.039 0.000 1.071 129 L CA 1.660 56.503 54.840 0.005 0.000 0.749 129 L CB -0.602 41.449 42.059 -0.013 0.000 0.890 129 L HN 0.342 nan 8.230 nan 0.000 0.431 130 A N -1.156 121.610 122.820 -0.090 0.000 1.877 130 A HA -0.217 4.102 4.320 -0.002 0.000 0.216 130 A C 2.243 179.749 177.584 -0.129 0.000 1.186 130 A CA 2.408 54.374 52.037 -0.117 0.000 0.620 130 A CB -1.134 17.782 19.000 -0.140 0.000 0.822 130 A HN 0.517 nan 8.150 nan 0.000 0.443 131 T N -0.048 114.344 114.554 -0.270 0.000 2.777 131 T HA -0.082 4.266 4.350 -0.002 0.000 0.266 131 T C 1.944 176.678 174.700 0.057 0.000 1.040 131 T CA 1.609 63.585 62.100 -0.205 0.000 1.141 131 T CB -0.279 68.105 68.868 -0.807 0.000 0.868 131 T HN 0.399 nan 8.240 nan 0.000 0.444 132 M N 0.488 120.144 119.600 0.092 0.000 2.229 132 M HA -0.016 4.463 4.480 -0.002 0.000 0.264 132 M C 2.551 178.876 176.300 0.043 0.000 1.063 132 M CA 1.084 56.461 55.300 0.128 0.000 1.114 132 M CB -0.339 32.329 32.600 0.113 0.000 1.387 132 M HN 0.071 nan 8.290 nan 0.000 0.420 133 R N 0.479 120.977 120.500 -0.003 0.000 2.120 133 R HA -0.161 4.178 4.340 -0.002 0.000 0.234 133 R C 0.517 176.761 176.300 -0.094 0.000 1.123 133 R CA 1.546 57.618 56.100 -0.047 0.000 0.975 133 R CB 0.076 30.340 30.300 -0.060 0.000 0.866 133 R HN 0.382 nan 8.270 nan 0.000 0.446 134 D N -2.112 118.210 120.400 -0.129 0.000 2.469 134 D HA 0.101 4.740 4.640 -0.002 0.000 0.240 134 D C -0.480 175.477 176.300 -0.571 0.000 1.087 134 D CA 0.367 54.138 54.000 -0.383 0.000 0.876 134 D CB 0.448 40.906 40.800 -0.570 0.000 1.160 134 D HN -0.025 nan 8.370 nan 0.000 0.497 135 F N 0.400 120.328 119.950 -0.037 0.000 2.507 135 F HA 0.677 5.203 4.527 -0.002 0.000 0.325 135 F C 0.784 176.604 175.800 0.033 0.000 1.116 135 F CA -0.677 57.319 58.000 -0.006 0.000 0.930 135 F CB 2.741 41.729 39.000 -0.021 0.000 1.146 135 F HN -0.124 nan 8.300 nan 0.000 0.447 136 G N 1.790 110.715 108.800 0.209 0.000 2.451 136 G HA2 0.328 4.287 3.960 -0.002 0.000 0.292 136 G HA3 0.328 4.287 3.960 -0.002 0.000 0.292 136 G C -1.529 173.443 174.900 0.121 0.000 1.427 136 G CA -1.251 43.941 45.100 0.153 0.000 0.792 136 G HN 0.666 nan 8.290 nan 0.000 0.498 137 M N 1.336 121.000 119.600 0.106 0.000 2.323 137 M HA 0.307 4.786 4.480 -0.002 0.000 0.386 137 M C 1.506 177.840 176.300 0.057 0.000 1.525 137 M CA 2.450 57.800 55.300 0.083 0.000 0.914 137 M CB -0.150 32.490 32.600 0.067 0.000 2.042 137 M HN 2.325 nan 8.290 nan 0.000 0.483 138 G N 4.056 112.887 108.800 0.051 0.000 2.180 138 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.263 138 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.263 138 G C 0.522 175.439 174.900 0.029 0.000 0.989 138 G CA 0.920 46.040 45.100 0.033 0.000 0.692 138 G HN 1.161 nan 8.290 nan 0.000 0.526 139 K N -1.784 118.639 120.400 0.039 0.000 3.529 139 K HA -0.237 4.082 4.320 -0.002 0.000 0.313 139 K C 1.007 177.602 176.600 -0.008 0.000 1.316 139 K CA 2.148 58.444 56.287 0.015 0.000 0.988 139 K CB -1.301 31.203 32.500 0.008 0.000 1.252 139 K HN 0.886 nan 8.250 nan 0.000 0.438 140 R N 1.216 121.718 120.500 0.004 0.000 2.641 140 R HA 0.253 4.592 4.340 -0.002 0.000 0.269 140 R C 0.569 176.863 176.300 -0.009 0.000 1.074 140 R CA 0.312 56.410 56.100 -0.003 0.000 1.133 140 R CB 0.741 31.045 30.300 0.007 0.000 1.029 140 R HN 0.441 nan 8.270 nan 0.000 0.488 141 S N 0.310 115.999 115.700 -0.019 0.000 2.600 141 S HA 0.024 4.493 4.470 -0.002 0.000 0.265 141 S C 1.477 176.070 174.600 -0.013 0.000 1.325 141 S CA -0.937 57.247 58.200 -0.026 0.000 1.002 141 S CB 1.088 64.268 63.200 -0.033 0.000 0.921 141 S HN 0.357 nan 8.310 nan 0.000 0.554 142 V N 1.459 121.363 119.914 -0.016 0.000 2.287 142 V HA -0.197 3.922 4.120 -0.002 0.000 0.248 142 V C 2.802 178.885 176.094 -0.019 0.000 1.053 142 V CA 2.434 64.728 62.300 -0.010 0.000 1.027 142 V CB -1.301 30.513 31.823 -0.015 0.000 0.646 142 V HN 1.068 nan 8.190 nan 0.000 0.447 143 E N 0.234 120.418 120.200 -0.027 0.000 2.070 143 E HA -0.299 4.050 4.350 -0.002 0.000 0.197 143 E C 2.156 178.743 176.600 -0.020 0.000 1.004 143 E CA 1.949 58.331 56.400 -0.029 0.000 0.805 143 E CB -0.169 29.518 29.700 -0.022 0.000 0.744 143 E HN 0.729 nan 8.360 nan 0.000 0.451 144 E N -0.134 120.061 120.200 -0.009 0.000 2.118 144 E HA -0.207 4.142 4.350 -0.002 0.000 0.195 144 E C 2.299 178.905 176.600 0.011 0.000 0.992 144 E CA 1.076 57.477 56.400 0.002 0.000 0.804 144 E CB -0.033 29.669 29.700 0.003 0.000 0.741 144 E HN 0.168 nan 8.360 nan 0.000 0.458 145 R N 0.323 120.831 120.500 0.013 0.000 2.092 145 R HA -0.050 4.288 4.340 -0.002 0.000 0.231 145 R C 2.257 178.583 176.300 0.043 0.000 1.119 145 R CA 0.899 57.019 56.100 0.034 0.000 0.970 145 R CB -0.133 30.192 30.300 0.041 0.000 0.864 145 R HN 0.182 nan 8.270 nan 0.000 0.440 146 I N 0.460 121.026 120.570 -0.006 0.000 2.252 146 I HA -0.278 3.891 4.170 -0.002 0.000 0.245 146 I C 2.215 178.289 176.117 -0.072 0.000 1.102 146 I CA 1.295 62.543 61.300 -0.086 0.000 1.385 146 I CB -0.256 37.600 38.000 -0.240 0.000 1.064 146 I HN 0.226 nan 8.210 nan 0.000 0.414 147 Q N 0.326 120.103 119.800 -0.038 0.000 2.096 147 Q HA -0.297 4.042 4.340 -0.002 0.000 0.204 147 Q C 2.121 178.161 176.000 0.066 0.000 0.982 147 Q CA 1.998 57.807 55.803 0.009 0.000 0.850 147 Q CB -0.139 28.609 28.738 0.018 0.000 0.901 147 Q HN 0.362 nan 8.270 nan 0.000 0.422 148 E N 1.001 121.241 120.200 0.067 0.000 2.072 148 E HA -0.224 4.125 4.350 -0.002 0.000 0.191 148 E C 1.687 178.366 176.600 0.132 0.000 0.985 148 E CA 1.367 57.815 56.400 0.081 0.000 0.801 148 E CB -0.032 29.700 29.700 0.053 0.000 0.750 148 E HN 0.204 nan 8.360 nan 0.000 0.452 149 E N 0.060 120.372 120.200 0.187 0.000 2.077 149 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 149 E C 1.834 178.677 176.600 0.404 0.000 0.989 149 E CA 1.546 58.128 56.400 0.304 0.000 0.800 149 E CB -0.575 29.377 29.700 0.420 0.000 0.746 149 E HN 0.334 nan 8.360 nan 0.000 0.452 150 A N 0.722 123.812 122.820 0.450 0.000 1.933 150 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 150 A C 2.267 180.003 177.584 0.253 0.000 1.175 150 A CA 1.679 53.970 52.037 0.422 0.000 0.628 150 A CB -0.573 18.610 19.000 0.306 0.000 0.814 150 A HN 0.229 nan 8.150 nan 0.000 0.444 151 R N -0.617 119.995 120.500 0.187 0.000 2.081 151 R HA -0.166 4.173 4.340 -0.002 0.000 0.235 151 R C 2.169 178.564 176.300 0.158 0.000 1.131 151 R CA 1.959 58.146 56.100 0.146 0.000 0.960 151 R CB -0.652 29.710 30.300 0.104 0.000 0.856 151 R HN 0.585 nan 8.270 nan 0.000 0.436 152 C N 0.508 119.912 119.300 0.173 0.000 2.429 152 C HA -0.105 4.354 4.460 -0.002 0.000 0.277 152 C C 2.564 177.750 174.990 0.327 0.000 1.262 152 C CA 0.335 59.467 59.018 0.190 0.000 1.733 152 C CB -0.994 26.808 27.740 0.103 0.000 2.010 152 C HN 0.545 nan 8.230 nan 0.000 0.483 153 L N 0.948 122.357 121.223 0.310 0.000 2.017 153 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 153 L C 2.499 179.407 176.870 0.063 0.000 1.073 153 L CA 1.874 56.795 54.840 0.134 0.000 0.745 153 L CB -0.744 41.318 42.059 0.004 0.000 0.894 153 L HN 0.194 nan 8.230 nan 0.000 0.432 154 V N 0.045 120.051 119.914 0.154 0.000 2.332 154 V HA -0.335 3.784 4.120 -0.002 0.000 0.248 154 V C 2.615 178.853 176.094 0.240 0.000 1.055 154 V CA 2.096 64.552 62.300 0.260 0.000 1.038 154 V CB -0.726 31.247 31.823 0.251 0.000 0.651 154 V HN 0.661 nan 8.190 nan 0.000 0.450 155 E N 0.058 120.365 120.200 0.179 0.000 2.077 155 E HA -0.304 4.044 4.350 -0.002 0.000 0.193 155 E C 2.165 178.847 176.600 0.137 0.000 0.989 155 E CA 1.660 58.152 56.400 0.153 0.000 0.800 155 E CB -0.070 29.706 29.700 0.126 0.000 0.746 155 E HN 0.626 nan 8.360 nan 0.000 0.452 156 E N 0.642 120.923 120.200 0.134 0.000 2.051 156 E HA -0.147 4.202 4.350 -0.002 0.000 0.192 156 E C 2.121 178.697 176.600 -0.040 0.000 0.991 156 E CA 1.214 57.659 56.400 0.076 0.000 0.799 156 E CB -0.285 29.468 29.700 0.089 0.000 0.748 156 E HN 0.355 nan 8.360 nan 0.000 0.449 157 L N 0.052 121.189 121.223 -0.144 0.000 2.083 157 L HA -0.141 4.197 4.340 -0.002 0.000 0.209 157 L C 2.697 179.515 176.870 -0.087 0.000 1.083 157 L CA 1.233 55.880 54.840 -0.322 0.000 0.752 157 L CB -0.405 41.132 42.059 -0.871 0.000 0.899 157 L HN 0.112 nan 8.230 nan 0.000 0.433 158 R N 0.449 121.065 120.500 0.192 0.000 2.103 158 R HA -0.202 4.137 4.340 -0.002 0.000 0.242 158 R C 2.261 178.650 176.300 0.148 0.000 1.142 158 R CA 1.505 57.781 56.100 0.292 0.000 0.960 158 R CB -0.255 30.199 30.300 0.257 0.000 0.858 158 R HN 0.390 nan 8.270 nan 0.000 0.439 159 K N -0.059 120.394 120.400 0.088 0.000 2.209 159 K HA -0.043 4.276 4.320 -0.002 0.000 0.204 159 K C 1.972 178.593 176.600 0.035 0.000 1.048 159 K CA 1.294 57.617 56.287 0.059 0.000 0.940 159 K CB 0.044 32.573 32.500 0.049 0.000 0.729 159 K HN 0.031 nan 8.250 nan 0.000 0.451 160 S N 0.995 116.700 115.700 0.009 0.000 2.474 160 S HA -0.034 4.434 4.470 -0.002 0.000 0.235 160 S C 0.219 174.832 174.600 0.021 0.000 0.997 160 S CA 0.536 58.732 58.200 -0.007 0.000 0.949 160 S CB -0.049 63.125 63.200 -0.045 0.000 0.766 160 S HN 0.207 nan 8.310 nan 0.000 0.517 161 K N 0.029 120.463 120.400 0.058 0.000 3.035 161 K HA -0.214 4.105 4.320 -0.002 0.000 0.262 161 K C 0.786 177.423 176.600 0.062 0.000 1.024 161 K CA 0.661 56.994 56.287 0.076 0.000 0.748 161 K CB -2.457 30.079 32.500 0.060 0.000 1.247 161 K HN 0.707 nan 8.250 nan 0.000 0.482 162 G N -1.485 107.352 108.800 0.060 0.000 2.143 162 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.249 162 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.249 162 G C 0.329 175.229 174.900 -0.002 0.000 0.981 162 G CA 0.682 45.806 45.100 0.040 0.000 0.665 162 G HN 0.981 nan 8.290 nan 0.000 0.528 163 A N -0.242 122.572 122.820 -0.010 0.000 2.425 163 A HA 0.644 4.963 4.320 -0.002 0.000 0.242 163 A C 0.902 178.450 177.584 -0.059 0.000 1.077 163 A CA 0.009 52.027 52.037 -0.031 0.000 0.781 163 A CB 0.292 19.274 19.000 -0.030 0.000 1.020 163 A HN 0.978 nan 8.150 nan 0.000 0.494 164 L N 1.238 122.421 121.223 -0.068 0.000 2.455 164 L HA 0.329 4.668 4.340 -0.002 0.000 0.272 164 L C -0.166 176.637 176.870 -0.111 0.000 1.174 164 L CA 0.048 54.831 54.840 -0.094 0.000 0.869 164 L CB -0.028 41.983 42.059 -0.080 0.000 1.130 164 L HN 0.708 nan 8.230 nan 0.000 0.474 165 L N 0.315 121.448 121.223 -0.151 0.000 2.409 165 L HA 0.654 4.993 4.340 -0.002 0.000 0.255 165 L C -0.935 175.785 176.870 -0.251 0.000 1.027 165 L CA -0.776 53.957 54.840 -0.177 0.000 0.834 165 L CB 1.621 43.582 42.059 -0.164 0.000 1.426 165 L HN 0.257 nan 8.230 nan 0.000 0.411 166 D N 0.933 121.166 120.400 -0.279 0.000 2.317 166 D HA 0.189 4.827 4.640 -0.002 0.000 0.234 166 D C 0.108 176.133 176.300 -0.458 0.000 1.112 166 D CA -0.211 53.560 54.000 -0.383 0.000 0.840 166 D CB 1.314 41.931 40.800 -0.305 0.000 1.078 166 D HN 0.812 nan 8.370 nan 0.000 0.486 167 N N 2.002 120.336 118.700 -0.610 0.000 2.461 167 N HA -0.098 4.641 4.740 -0.002 0.000 0.188 167 N C 1.083 176.080 175.510 -0.855 0.000 1.134 167 N CA 0.196 52.765 53.050 -0.801 0.000 0.878 167 N CB -0.146 37.703 38.487 -1.065 0.000 0.972 167 N HN 0.192 nan 8.380 nan 0.000 0.456 168 T N 1.076 115.262 114.554 -0.614 0.000 2.635 168 T HA -0.170 4.179 4.350 -0.002 0.000 0.267 168 T C 1.611 175.890 174.700 -0.702 0.000 1.040 168 T CA 1.331 63.070 62.100 -0.602 0.000 1.156 168 T CB -0.376 68.211 68.868 -0.469 0.000 0.863 168 T HN 0.206 nan 8.240 nan 0.000 0.430 169 L N 0.705 121.631 121.223 -0.495 0.000 2.017 169 L HA 0.047 4.385 4.340 -0.002 0.000 0.208 169 L C 2.239 178.918 176.870 -0.319 0.000 1.073 169 L CA 1.584 56.213 54.840 -0.352 0.000 0.745 169 L CB -0.816 41.100 42.059 -0.238 0.000 0.894 169 L HN 0.265 nan 8.230 nan 0.000 0.432 170 L N -1.894 119.080 121.223 -0.415 0.000 2.093 170 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 170 L C 2.363 179.100 176.870 -0.222 0.000 1.085 170 L CA 0.703 55.292 54.840 -0.419 0.000 0.755 170 L CB -0.480 41.225 42.059 -0.590 0.000 0.904 170 L HN 0.210 nan 8.230 nan 0.000 0.435 171 F N -0.639 119.086 119.950 -0.374 0.000 2.186 171 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 171 F C 2.697 178.382 175.800 -0.191 0.000 1.090 171 F CA 0.829 58.639 58.000 -0.317 0.000 1.307 171 F CB -1.128 37.709 39.000 -0.272 0.000 1.019 171 F HN 0.152 nan 8.300 nan 0.000 0.489 172 H N -0.643 118.331 119.070 -0.160 0.000 2.389 172 H HA -0.044 4.511 4.556 -0.002 0.000 0.299 172 H C 2.373 177.658 175.328 -0.071 0.000 1.081 172 H CA 1.246 57.046 56.048 -0.413 0.000 1.345 172 H CB -0.641 28.475 29.762 -1.078 0.000 1.393 172 H HN 0.096 nan 8.280 nan 0.000 0.520 173 S N 0.804 116.585 115.700 0.136 0.000 2.355 173 S HA -0.077 4.392 4.470 -0.002 0.000 0.222 173 S C 2.352 177.212 174.600 0.433 0.000 1.031 173 S CA 1.230 59.655 58.200 0.375 0.000 0.993 173 S CB -0.233 63.207 63.200 0.400 0.000 0.859 173 S HN 0.584 nan 8.310 nan 0.000 0.453 174 I N 1.478 122.173 120.570 0.208 0.000 2.353 174 I HA -0.107 4.062 4.170 -0.002 0.000 0.248 174 I C 2.472 178.732 176.117 0.238 0.000 1.119 174 I CA 1.664 63.057 61.300 0.156 0.000 1.417 174 I CB -1.466 36.344 38.000 -0.316 0.000 1.078 174 I HN 0.314 nan 8.210 nan 0.000 0.421 175 T N -1.448 113.239 114.554 0.222 0.000 2.857 175 T HA -0.026 4.322 4.350 -0.002 0.000 0.266 175 T C 1.970 176.902 174.700 0.386 0.000 1.048 175 T CA 1.427 63.710 62.100 0.304 0.000 1.139 175 T CB -0.593 68.439 68.868 0.273 0.000 0.874 175 T HN 0.375 nan 8.240 nan 0.000 0.455 176 S N 2.006 118.003 115.700 0.495 0.000 2.383 176 S HA -0.056 4.413 4.470 -0.002 0.000 0.227 176 S C 2.124 177.082 174.600 0.597 0.000 1.026 176 S CA 0.910 59.483 58.200 0.623 0.000 0.981 176 S CB -0.520 63.096 63.200 0.694 0.000 0.818 176 S HN 0.494 nan 8.310 nan 0.000 0.472 177 N N 1.335 120.349 118.700 0.524 0.000 2.270 177 N HA 0.044 4.783 4.740 -0.002 0.000 0.181 177 N C 1.469 177.162 175.510 0.306 0.000 1.016 177 N CA 0.621 53.923 53.050 0.421 0.000 0.870 177 N CB -0.291 38.393 38.487 0.328 0.000 0.979 177 N HN 0.255 nan 8.380 nan 0.000 0.431 178 I N 1.177 121.921 120.570 0.289 0.000 2.202 178 I HA -0.180 3.989 4.170 -0.002 0.000 0.242 178 I C 1.970 178.147 176.117 0.100 0.000 1.091 178 I CA 0.737 62.154 61.300 0.195 0.000 1.368 178 I CB -0.977 37.146 38.000 0.205 0.000 1.058 178 I HN 0.029 nan 8.210 nan 0.000 0.410 179 I N 0.711 121.317 120.570 0.059 0.000 2.226 179 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 179 I C 2.895 178.887 176.117 -0.208 0.000 1.100 179 I CA 1.072 62.237 61.300 -0.224 0.000 1.374 179 I CB -1.601 36.049 38.000 -0.584 0.000 1.057 179 I HN 0.253 nan 8.210 nan 0.000 0.413 180 C N 0.053 119.450 119.300 0.161 0.000 2.413 180 C HA -0.163 4.296 4.460 -0.002 0.000 0.276 180 C C 3.307 178.417 174.990 0.201 0.000 1.248 180 C CA 1.433 60.656 59.018 0.341 0.000 1.742 180 C CB -1.054 27.142 27.740 0.759 0.000 2.017 180 C HN 0.546 nan 8.230 nan 0.000 0.481 181 S N 0.297 116.091 115.700 0.156 0.000 2.370 181 S HA -0.125 4.344 4.470 -0.002 0.000 0.226 181 S C 1.607 176.262 174.600 0.091 0.000 1.033 181 S CA 1.531 59.800 58.200 0.115 0.000 1.011 181 S CB -0.311 62.945 63.200 0.093 0.000 0.852 181 S HN 0.582 nan 8.310 nan 0.000 0.457 182 I N 1.100 121.688 120.570 0.029 0.000 2.252 182 I HA -0.122 4.047 4.170 -0.002 0.000 0.245 182 I C 2.277 178.416 176.117 0.036 0.000 1.102 182 I CA 1.439 62.753 61.300 0.024 0.000 1.385 182 I CB -0.270 37.700 38.000 -0.051 0.000 1.064 182 I HN 0.364 nan 8.210 nan 0.000 0.414 183 V N -3.540 116.295 119.914 -0.132 0.000 2.949 183 V HA 0.072 4.191 4.120 -0.002 0.000 0.245 183 V C 1.712 177.795 176.094 -0.019 0.000 1.086 183 V CA 0.768 62.949 62.300 -0.198 0.000 1.097 183 V CB -0.430 31.036 31.823 -0.595 0.000 0.762 183 V HN 0.168 nan 8.190 nan 0.000 0.470 184 F N 1.951 122.053 119.950 0.253 0.000 2.704 184 F HA 0.688 5.214 4.527 -0.002 0.000 0.304 184 F C 2.018 178.001 175.800 0.304 0.000 1.094 184 F CA -0.396 57.816 58.000 0.354 0.000 1.275 184 F CB -0.333 38.911 39.000 0.406 0.000 1.073 184 F HN 0.364 nan 8.300 nan 0.000 0.586 185 G N 1.534 110.547 108.800 0.356 0.000 2.179 185 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.257 185 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.257 185 G C 0.188 175.169 174.900 0.136 0.000 1.010 185 G CA 0.711 45.948 45.100 0.227 0.000 0.736 185 G HN 0.547 nan 8.290 nan 0.000 0.513 186 K N -1.726 118.750 120.400 0.127 0.000 2.579 186 K HA 0.760 5.078 4.320 -0.002 0.000 0.284 186 K C -0.264 176.269 176.600 -0.111 0.000 0.990 186 K CA -1.205 55.053 56.287 -0.049 0.000 0.880 186 K CB 1.294 33.692 32.500 -0.171 0.000 1.488 186 K HN 0.540 nan 8.250 nan 0.000 0.425 187 R N 0.012 120.342 120.500 -0.284 0.000 2.912 187 R HA 0.622 4.960 4.340 -0.002 0.000 0.262 187 R C -1.418 174.470 176.300 -0.687 0.000 1.057 187 R CA -0.862 55.066 56.100 -0.287 0.000 0.981 187 R CB 1.006 31.236 30.300 -0.117 0.000 1.201 187 R HN 0.396 nan 8.270 nan 0.000 0.484 188 F N -0.204 119.514 119.950 -0.386 0.000 2.522 188 F HA 0.268 4.794 4.527 -0.002 0.000 0.324 188 F C 0.161 175.597 175.800 -0.607 0.000 1.077 188 F CA -0.775 56.864 58.000 -0.603 0.000 0.944 188 F CB 1.832 40.094 39.000 -1.229 0.000 1.175 188 F HN 0.648 nan 8.300 nan 0.000 0.468 189 D N 0.582 120.841 120.400 -0.235 0.000 2.443 189 D HA -0.031 4.608 4.640 -0.002 0.000 0.239 189 D C 0.643 176.885 176.300 -0.097 0.000 1.136 189 D CA 0.357 54.215 54.000 -0.236 0.000 0.879 189 D CB 0.555 41.305 40.800 -0.083 0.000 1.195 189 D HN 0.385 nan 8.370 nan 0.000 0.443 190 Y N 1.644 121.986 120.300 0.071 0.000 2.315 190 Y HA -0.073 4.476 4.550 -0.002 0.000 0.288 190 Y C 1.570 177.577 175.900 0.177 0.000 1.154 190 Y CA 0.797 58.991 58.100 0.157 0.000 1.229 190 Y CB -0.069 38.439 38.460 0.081 0.000 0.980 190 Y HN 0.335 nan 8.280 nan 0.000 0.540 191 K N 0.130 120.681 120.400 0.252 0.000 2.399 191 K HA 0.056 4.375 4.320 -0.002 0.000 0.204 191 K C -0.245 176.453 176.600 0.163 0.000 1.023 191 K CA -0.114 56.281 56.287 0.180 0.000 1.127 191 K CB -0.171 32.400 32.500 0.118 0.000 0.856 191 K HN 0.152 nan 8.250 nan 0.000 0.514 192 D N 3.180 123.704 120.400 0.207 0.000 2.412 192 D HA -0.010 4.629 4.640 -0.002 0.000 0.257 192 D C -1.417 174.996 176.300 0.187 0.000 1.217 192 D CA -1.429 52.684 54.000 0.189 0.000 0.897 192 D CB 1.438 42.367 40.800 0.216 0.000 1.132 192 D HN -0.026 nan 8.370 nan 0.000 0.493 193 P HA -0.104 nan 4.420 nan 0.000 0.220 193 P C 1.559 178.876 177.300 0.028 0.000 1.152 193 P CA 0.296 63.434 63.100 0.063 0.000 0.812 193 P CB 0.443 32.167 31.700 0.041 0.000 0.792 194 V N -0.343 119.590 119.914 0.031 0.000 2.379 194 V HA -0.190 3.929 4.120 -0.002 0.000 0.245 194 V C 2.411 178.439 176.094 -0.110 0.000 1.044 194 V CA 1.411 63.690 62.300 -0.034 0.000 1.036 194 V CB -1.492 30.321 31.823 -0.016 0.000 0.664 194 V HN -0.050 nan 8.190 nan 0.000 0.453 195 F N 0.931 120.726 119.950 -0.258 0.000 2.091 195 F HA -0.229 4.297 4.527 -0.002 0.000 0.299 195 F C 1.996 177.673 175.800 -0.205 0.000 1.103 195 F CA 1.799 59.567 58.000 -0.387 0.000 1.228 195 F CB -0.373 38.437 39.000 -0.317 0.000 0.984 195 F HN 0.042 nan 8.300 nan 0.000 0.477 196 L N -0.247 120.867 121.223 -0.181 0.000 2.093 196 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 196 L C 2.721 179.480 176.870 -0.185 0.000 1.085 196 L CA 1.404 56.106 54.840 -0.231 0.000 0.755 196 L CB -0.704 41.326 42.059 -0.048 0.000 0.904 196 L HN 0.118 nan 8.230 nan 0.000 0.435 197 R N 0.293 120.710 120.500 -0.138 0.000 2.073 197 R HA -0.183 4.156 4.340 -0.002 0.000 0.234 197 R C 2.249 178.461 176.300 -0.145 0.000 1.134 197 R CA 1.465 57.497 56.100 -0.113 0.000 0.952 197 R CB -0.088 30.160 30.300 -0.086 0.000 0.850 197 R HN 0.168 nan 8.270 nan 0.000 0.433 198 L N 0.739 121.822 121.223 -0.232 0.000 2.109 198 L HA -0.084 4.254 4.340 -0.002 0.000 0.207 198 L C 2.284 179.024 176.870 -0.216 0.000 1.086 198 L CA 1.190 55.868 54.840 -0.269 0.000 0.760 198 L CB -0.630 41.155 42.059 -0.457 0.000 0.910 198 L HN 0.262 nan 8.230 nan 0.000 0.437 199 L N -0.731 120.316 121.223 -0.293 0.000 2.012 199 L HA -0.259 4.080 4.340 -0.002 0.000 0.210 199 L C 2.136 179.093 176.870 0.145 0.000 1.073 199 L CA 1.588 56.374 54.840 -0.089 0.000 0.748 199 L CB -0.374 41.463 42.059 -0.370 0.000 0.891 199 L HN 0.272 nan 8.230 nan 0.000 0.431 200 D N 0.163 120.572 120.400 0.016 0.000 2.116 200 D HA -0.217 4.422 4.640 -0.002 0.000 0.193 200 D C 2.124 178.467 176.300 0.072 0.000 0.998 200 D CA 2.133 56.169 54.000 0.060 0.000 0.836 200 D CB -0.362 40.437 40.800 -0.001 0.000 0.951 200 D HN 0.516 nan 8.370 nan 0.000 0.449 201 L N -1.896 119.338 121.223 0.019 0.000 2.240 201 L HA 0.109 4.447 4.340 -0.002 0.000 0.211 201 L C 2.241 179.106 176.870 -0.008 0.000 1.106 201 L CA 1.109 55.945 54.840 -0.007 0.000 0.793 201 L CB -1.100 40.937 42.059 -0.036 0.000 0.927 201 L HN -0.094 nan 8.230 nan 0.000 0.446 202 F N 0.299 120.156 119.950 -0.155 0.000 2.084 202 F HA -0.129 4.397 4.527 -0.002 0.000 0.296 202 F C 2.056 177.671 175.800 -0.309 0.000 1.111 202 F CA 1.518 59.349 58.000 -0.281 0.000 1.224 202 F CB -0.181 38.602 39.000 -0.362 0.000 0.991 202 F HN -0.003 nan 8.300 nan 0.000 0.471 203 F N 0.829 120.720 119.950 -0.098 0.000 2.293 203 F HA -0.168 4.358 4.527 -0.002 0.000 0.300 203 F C 2.431 178.191 175.800 -0.066 0.000 1.086 203 F CA 1.287 59.234 58.000 -0.089 0.000 1.375 203 F CB -0.860 38.022 39.000 -0.196 0.000 1.045 203 F HN 0.029 nan 8.300 nan 0.000 0.516 204 Q N -0.166 119.674 119.800 0.066 0.000 2.197 204 Q HA -0.204 4.135 4.340 -0.002 0.000 0.207 204 Q C 2.310 178.266 176.000 -0.072 0.000 0.984 204 Q CA 1.894 57.708 55.803 0.018 0.000 0.869 204 Q CB -0.335 28.404 28.738 0.002 0.000 0.906 204 Q HN 0.323 nan 8.270 nan 0.000 0.426 205 S N 0.167 115.714 115.700 -0.254 0.000 2.382 205 S HA -0.137 4.332 4.470 -0.002 0.000 0.228 205 S C 1.474 175.878 174.600 -0.328 0.000 1.027 205 S CA 1.098 59.086 58.200 -0.354 0.000 0.991 205 S CB -0.291 62.571 63.200 -0.563 0.000 0.823 205 S HN 0.298 nan 8.310 nan 0.000 0.469 206 F N 2.358 122.190 119.950 -0.196 0.000 2.134 206 F HA -0.096 4.430 4.527 -0.002 0.000 0.299 206 F C 2.772 178.550 175.800 -0.036 0.000 1.097 206 F CA 0.982 58.898 58.000 -0.141 0.000 1.264 206 F CB -1.081 37.813 39.000 -0.177 0.000 1.001 206 F HN 0.091 nan 8.300 nan 0.000 0.479 207 S N 0.499 116.300 115.700 0.168 0.000 2.370 207 S HA -0.162 4.307 4.470 -0.002 0.000 0.226 207 S C 2.170 176.826 174.600 0.094 0.000 1.033 207 S CA 1.202 59.478 58.200 0.128 0.000 1.011 207 S CB -0.637 62.630 63.200 0.111 0.000 0.852 207 S HN 0.294 nan 8.310 nan 0.000 0.457 208 L N 0.649 121.903 121.223 0.051 0.000 2.093 208 L HA -0.024 4.315 4.340 -0.002 0.000 0.208 208 L C 2.199 179.103 176.870 0.057 0.000 1.085 208 L CA 1.001 55.864 54.840 0.038 0.000 0.755 208 L CB -0.541 41.513 42.059 -0.010 0.000 0.904 208 L HN 0.281 nan 8.230 nan 0.000 0.435 209 I N -0.846 119.760 120.570 0.061 0.000 2.315 209 I HA -0.218 3.951 4.170 -0.002 0.000 0.248 209 I C 1.993 178.196 176.117 0.143 0.000 1.117 209 I CA 1.078 62.443 61.300 0.108 0.000 1.404 209 I CB -0.093 37.989 38.000 0.137 0.000 1.071 209 I HN 0.078 nan 8.210 nan 0.000 0.419 210 S N 0.424 116.208 115.700 0.141 0.000 2.671 210 S HA 0.070 4.539 4.470 -0.002 0.000 0.220 210 S C 0.783 175.476 174.600 0.155 0.000 0.951 210 S CA -0.121 58.168 58.200 0.149 0.000 0.932 210 S CB -0.349 62.926 63.200 0.126 0.000 0.777 210 S HN 0.502 nan 8.310 nan 0.000 0.508 211 S N 0.248 116.036 115.700 0.147 0.000 2.632 211 S HA 0.394 4.863 4.470 -0.002 0.000 0.267 211 S C 0.761 175.481 174.600 0.199 0.000 1.276 211 S CA -0.721 57.580 58.200 0.168 0.000 0.998 211 S CB 0.298 63.585 63.200 0.145 0.000 0.953 211 S HN 0.268 nan 8.310 nan 0.000 0.547 212 F N 1.913 121.915 119.950 0.088 0.000 2.126 212 F HA -0.122 4.404 4.527 -0.002 0.000 0.299 212 F C 2.493 178.355 175.800 0.103 0.000 1.096 212 F CA 2.145 60.196 58.000 0.084 0.000 1.255 212 F CB -0.633 38.405 39.000 0.064 0.000 0.997 212 F HN 0.645 nan 8.300 nan 0.000 0.479 213 S N -0.597 115.213 115.700 0.185 0.000 2.383 213 S HA -0.191 4.278 4.470 -0.002 0.000 0.229 213 S C 2.110 176.764 174.600 0.090 0.000 1.030 213 S CA 1.470 59.743 58.200 0.122 0.000 1.002 213 S CB -0.439 62.858 63.200 0.162 0.000 0.829 213 S HN 0.402 nan 8.310 nan 0.000 0.467 214 S N 1.212 116.968 115.700 0.093 0.000 2.436 214 S HA 0.004 4.473 4.470 -0.002 0.000 0.228 214 S C 1.933 176.613 174.600 0.132 0.000 1.014 214 S CA 0.451 58.730 58.200 0.132 0.000 0.950 214 S CB -0.148 63.121 63.200 0.114 0.000 0.784 214 S HN 0.508 nan 8.310 nan 0.000 0.504 215 Q N 0.562 120.374 119.800 0.020 0.000 2.079 215 Q HA -0.058 4.280 4.340 -0.002 0.000 0.200 215 Q C 2.211 178.126 176.000 -0.141 0.000 0.974 215 Q CA 1.242 57.008 55.803 -0.062 0.000 0.840 215 Q CB -0.320 28.328 28.738 -0.150 0.000 0.898 215 Q HN 0.370 nan 8.270 nan 0.000 0.430 216 V N 0.505 120.290 119.914 -0.215 0.000 2.407 216 V HA -0.246 3.873 4.120 -0.002 0.000 0.248 216 V C 1.892 178.019 176.094 0.055 0.000 1.055 216 V CA 1.674 63.911 62.300 -0.105 0.000 1.049 216 V CB -0.593 31.176 31.823 -0.089 0.000 0.662 216 V HN 0.296 nan 8.190 nan 0.000 0.455 217 F N 1.248 121.184 119.950 -0.024 0.000 2.171 217 F HA -0.161 4.365 4.527 -0.002 0.000 0.300 217 F C 2.379 178.158 175.800 -0.035 0.000 1.090 217 F CA 1.935 59.936 58.000 0.002 0.000 1.293 217 F CB -0.107 38.901 39.000 0.014 0.000 1.013 217 F HN 0.156 nan 8.300 nan 0.000 0.486 218 E N 0.457 120.701 120.200 0.074 0.000 2.097 218 E HA -0.214 4.135 4.350 -0.002 0.000 0.196 218 E C 1.902 178.381 176.600 -0.202 0.000 1.000 218 E CA 1.693 58.085 56.400 -0.014 0.000 0.804 218 E CB -0.463 29.269 29.700 0.053 0.000 0.740 218 E HN 0.359 nan 8.360 nan 0.000 0.454 219 L N -1.236 119.784 121.223 -0.338 0.000 2.068 219 L HA 0.026 4.365 4.340 -0.002 0.000 0.204 219 L C 1.072 177.407 176.870 -0.892 0.000 1.076 219 L CA 1.308 55.715 54.840 -0.722 0.000 0.753 219 L CB -0.229 41.221 42.059 -1.015 0.000 0.910 219 L HN 0.107 nan 8.230 nan 0.000 0.439 220 F N -1.510 118.337 119.950 -0.171 0.000 2.850 220 F HA 0.201 4.727 4.527 -0.002 0.000 0.329 220 F C 1.923 177.553 175.800 -0.283 0.000 1.182 220 F CA -0.039 57.866 58.000 -0.159 0.000 1.270 220 F CB -0.788 38.157 39.000 -0.092 0.000 0.979 220 F HN -0.028 nan 8.300 nan 0.000 0.506 221 S N -0.260 115.136 115.700 -0.507 0.000 2.374 221 S HA -0.190 4.279 4.470 -0.002 0.000 0.227 221 S C 2.456 176.779 174.600 -0.461 0.000 1.037 221 S CA 1.541 59.105 58.200 -1.061 0.000 1.024 221 S CB -1.092 61.355 63.200 -1.255 0.000 0.861 221 S HN 0.459 nan 8.310 nan 0.000 0.456 222 G N 0.290 108.978 108.800 -0.187 0.000 2.507 222 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.221 222 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.221 222 G C 1.187 176.166 174.900 0.132 0.000 1.119 222 G CA 1.040 46.126 45.100 -0.024 0.000 0.751 222 G HN 0.583 nan 8.290 nan 0.000 0.574 223 F N 0.233 120.216 119.950 0.054 0.000 2.243 223 F HA 0.321 4.847 4.527 -0.002 0.000 0.287 223 F C 2.374 178.344 175.800 0.284 0.000 1.067 223 F CA 0.413 58.540 58.000 0.213 0.000 1.304 223 F CB 0.056 39.133 39.000 0.128 0.000 1.087 223 F HN -0.022 nan 8.300 nan 0.000 0.513 224 L N 1.406 122.793 121.223 0.273 0.000 2.376 224 L HA -0.155 4.184 4.340 -0.002 0.000 0.219 224 L C 2.322 179.348 176.870 0.259 0.000 1.133 224 L CA 1.022 56.040 54.840 0.297 0.000 0.816 224 L CB -0.757 41.478 42.059 0.293 0.000 0.933 224 L HN 0.219 nan 8.230 nan 0.000 0.449 225 K N -0.176 120.202 120.400 -0.037 0.000 2.360 225 K HA -0.198 4.121 4.320 -0.002 0.000 0.201 225 K C 1.308 177.820 176.600 -0.148 0.000 1.046 225 K CA 1.472 57.646 56.287 -0.188 0.000 0.945 225 K CB -0.376 31.938 32.500 -0.310 0.000 0.750 225 K HN 0.328 nan 8.250 nan 0.000 0.464 226 Y N 0.072 120.400 120.300 0.048 0.000 2.490 226 Y HA 0.206 4.755 4.550 -0.002 0.000 0.281 226 Y C 0.252 175.914 175.900 -0.397 0.000 1.174 226 Y CA -0.456 57.513 58.100 -0.219 0.000 1.295 226 Y CB 0.227 38.414 38.460 -0.456 0.000 1.062 226 Y HN -0.110 nan 8.280 nan 0.000 0.522 227 F N -0.528 119.516 119.950 0.157 0.000 2.579 227 F HA 0.486 5.012 4.527 -0.002 0.000 0.324 227 F C -2.245 173.685 175.800 0.216 0.000 1.058 227 F CA -3.196 54.892 58.000 0.146 0.000 0.944 227 F CB 0.774 39.844 39.000 0.117 0.000 1.245 227 F HN -0.316 nan 8.300 nan 0.000 0.477 228 P HA 0.356 nan 4.420 nan 0.000 0.269 228 P C -0.269 177.150 177.300 0.197 0.000 1.217 228 P CA 0.131 63.326 63.100 0.159 0.000 0.783 228 P CB 0.588 32.355 31.700 0.113 0.000 0.898 229 G N -0.656 108.169 108.800 0.042 0.000 2.320 229 G HA2 0.236 4.195 3.960 -0.002 0.000 0.297 229 G HA3 0.236 4.195 3.960 -0.002 0.000 0.297 229 G C 0.710 175.570 174.900 -0.067 0.000 1.344 229 G CA 0.047 45.200 45.100 0.088 0.000 0.851 229 G HN 0.446 nan 8.290 nan 0.000 0.567 230 T N -2.041 112.508 114.554 -0.009 0.000 2.803 230 T HA -0.227 4.122 4.350 -0.002 0.000 0.269 230 T C 2.017 176.622 174.700 -0.159 0.000 1.052 230 T CA 2.668 64.731 62.100 -0.063 0.000 1.136 230 T CB -0.675 68.187 68.868 -0.009 0.000 0.864 230 T HN 1.164 nan 8.240 nan 0.000 0.467 231 H N 1.169 120.043 119.070 -0.328 0.000 2.421 231 H HA 0.117 4.672 4.556 -0.002 0.000 0.298 231 H C 2.431 177.630 175.328 -0.216 0.000 1.087 231 H CA 1.048 56.819 56.048 -0.461 0.000 1.330 231 H CB -0.338 28.774 29.762 -1.083 0.000 1.388 231 H HN 0.319 nan 8.280 nan 0.000 0.526 232 R N -0.135 119.861 120.500 -0.841 0.000 2.115 232 R HA -0.089 4.249 4.340 -0.002 0.000 0.226 232 R C 2.287 178.478 176.300 -0.182 0.000 1.100 232 R CA 1.253 57.061 56.100 -0.488 0.000 0.980 232 R CB -0.083 29.917 30.300 -0.500 0.000 0.875 232 R HN 0.360 nan 8.270 nan 0.000 0.445 233 Q N 1.241 120.940 119.800 -0.168 0.000 2.083 233 Q HA -0.048 4.291 4.340 -0.002 0.000 0.198 233 Q C 1.846 177.799 176.000 -0.078 0.000 0.969 233 Q CA 1.416 57.163 55.803 -0.093 0.000 0.838 233 Q CB -0.081 28.610 28.738 -0.078 0.000 0.900 233 Q HN 0.279 nan 8.270 nan 0.000 0.436 234 I N -0.402 120.115 120.570 -0.087 0.000 2.163 234 I HA -0.294 3.875 4.170 -0.002 0.000 0.243 234 I C 1.943 178.014 176.117 -0.076 0.000 1.085 234 I CA 1.416 62.663 61.300 -0.088 0.000 1.347 234 I CB -0.405 37.550 38.000 -0.075 0.000 1.044 234 I HN 0.277 nan 8.210 nan 0.000 0.408 235 Y N 1.508 121.718 120.300 -0.151 0.000 2.097 235 Y HA -0.324 4.225 4.550 -0.002 0.000 0.282 235 Y C 2.836 178.661 175.900 -0.124 0.000 1.152 235 Y CA 1.904 59.922 58.100 -0.137 0.000 1.136 235 Y CB -0.252 38.135 38.460 -0.122 0.000 0.975 235 Y HN -0.053 nan 8.280 nan 0.000 0.498 236 R N 0.099 120.617 120.500 0.031 0.000 2.081 236 R HA -0.175 4.164 4.340 -0.002 0.000 0.235 236 R C 1.931 178.165 176.300 -0.109 0.000 1.131 236 R CA 1.747 57.829 56.100 -0.031 0.000 0.960 236 R CB -0.219 30.085 30.300 0.007 0.000 0.856 236 R HN 0.378 nan 8.270 nan 0.000 0.436 237 N N 0.500 119.135 118.700 -0.108 0.000 2.084 237 N HA -0.148 4.591 4.740 -0.002 0.000 0.190 237 N C 1.762 177.200 175.510 -0.119 0.000 1.030 237 N CA 1.252 54.241 53.050 -0.103 0.000 0.849 237 N CB -0.241 38.181 38.487 -0.107 0.000 1.012 237 N HN 0.240 nan 8.380 nan 0.000 0.423 238 L N 0.780 121.895 121.223 -0.180 0.000 2.141 238 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 238 L C 2.322 179.035 176.870 -0.262 0.000 1.094 238 L CA 0.809 55.530 54.840 -0.198 0.000 0.763 238 L CB -0.310 41.576 42.059 -0.288 0.000 0.908 238 L HN 0.128 nan 8.230 nan 0.000 0.437 239 Q N 0.069 119.656 119.800 -0.355 0.000 2.124 239 Q HA -0.250 4.089 4.340 -0.002 0.000 0.202 239 Q C 2.027 177.927 176.000 -0.167 0.000 0.977 239 Q CA 1.467 57.077 55.803 -0.322 0.000 0.850 239 Q CB -0.058 28.441 28.738 -0.399 0.000 0.901 239 Q HN 0.541 nan 8.270 nan 0.000 0.429 240 E N 0.019 120.141 120.200 -0.129 0.000 2.077 240 E HA -0.162 4.186 4.350 -0.002 0.000 0.193 240 E C 1.908 178.478 176.600 -0.051 0.000 0.989 240 E CA 0.733 57.090 56.400 -0.073 0.000 0.800 240 E CB 0.113 29.772 29.700 -0.069 0.000 0.746 240 E HN 0.183 nan 8.360 nan 0.000 0.452 241 I N 1.677 122.199 120.570 -0.080 0.000 2.226 241 I HA -0.248 3.921 4.170 -0.002 0.000 0.245 241 I C 1.968 178.079 176.117 -0.009 0.000 1.100 241 I CA 1.115 62.366 61.300 -0.081 0.000 1.374 241 I CB -1.420 36.484 38.000 -0.160 0.000 1.057 241 I HN 0.190 nan 8.210 nan 0.000 0.413 242 N N 0.808 119.468 118.700 -0.066 0.000 2.104 242 N HA -0.146 4.592 4.740 -0.002 0.000 0.190 242 N C 1.841 177.344 175.510 -0.013 0.000 1.024 242 N CA 1.789 54.804 53.050 -0.059 0.000 0.853 242 N CB -0.566 37.839 38.487 -0.137 0.000 1.008 242 N HN 0.339 nan 8.380 nan 0.000 0.424 243 T N 0.499 115.047 114.554 -0.009 0.000 2.720 243 T HA -0.132 4.216 4.350 -0.002 0.000 0.268 243 T C 1.674 176.396 174.700 0.037 0.000 1.037 243 T CA 0.884 62.990 62.100 0.011 0.000 1.144 243 T CB -0.455 68.416 68.868 0.005 0.000 0.864 243 T HN 0.269 nan 8.240 nan 0.000 0.444 244 F N 1.343 121.251 119.950 -0.069 0.000 2.134 244 F HA -0.008 4.518 4.527 -0.002 0.000 0.299 244 F C 1.947 177.720 175.800 -0.046 0.000 1.097 244 F CA 0.982 58.935 58.000 -0.078 0.000 1.264 244 F CB -0.328 38.597 39.000 -0.124 0.000 1.001 244 F HN 0.072 nan 8.300 nan 0.000 0.479 245 I N 0.299 120.909 120.570 0.067 0.000 2.226 245 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 245 I C 2.796 178.891 176.117 -0.037 0.000 1.100 245 I CA 1.450 62.795 61.300 0.076 0.000 1.374 245 I CB -1.345 36.754 38.000 0.166 0.000 1.057 245 I HN 0.309 nan 8.210 nan 0.000 0.413 246 G N 0.049 108.833 108.800 -0.027 0.000 2.476 246 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.218 246 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.218 246 G C 1.574 176.457 174.900 -0.027 0.000 1.164 246 G CA 0.665 45.776 45.100 0.018 0.000 0.768 246 G HN 0.417 nan 8.290 nan 0.000 0.560 247 Q N -0.027 119.696 119.800 -0.129 0.000 2.079 247 Q HA -0.052 4.287 4.340 -0.002 0.000 0.200 247 Q C 2.851 178.730 176.000 -0.201 0.000 0.974 247 Q CA 1.371 57.073 55.803 -0.169 0.000 0.840 247 Q CB -0.239 28.364 28.738 -0.224 0.000 0.898 247 Q HN 0.491 nan 8.270 nan 0.000 0.430 248 S N -0.094 115.400 115.700 -0.343 0.000 2.368 248 S HA -0.131 4.338 4.470 -0.002 0.000 0.225 248 S C 1.995 176.662 174.600 0.112 0.000 1.030 248 S CA 1.013 59.094 58.200 -0.198 0.000 0.999 248 S CB -0.160 62.816 63.200 -0.373 0.000 0.844 248 S HN 0.212 nan 8.310 nan 0.000 0.459 249 V N 1.756 121.703 119.914 0.055 0.000 2.295 249 V HA -0.172 3.946 4.120 -0.002 0.000 0.246 249 V C 2.427 178.599 176.094 0.130 0.000 1.049 249 V CA 2.277 64.635 62.300 0.096 0.000 1.024 249 V CB -0.842 31.028 31.823 0.078 0.000 0.648 249 V HN 0.559 nan 8.190 nan 0.000 0.447 250 E N -0.044 120.203 120.200 0.079 0.000 2.085 250 E HA -0.286 4.063 4.350 -0.002 0.000 0.194 250 E C 2.256 178.888 176.600 0.052 0.000 0.994 250 E CA 1.520 57.953 56.400 0.055 0.000 0.801 250 E CB -0.195 29.514 29.700 0.015 0.000 0.743 250 E HN 0.538 nan 8.360 nan 0.000 0.453 251 K N 0.088 120.511 120.400 0.039 0.000 2.097 251 K HA -0.185 4.134 4.320 -0.002 0.000 0.205 251 K C 1.886 178.496 176.600 0.016 0.000 1.050 251 K CA 1.340 57.629 56.287 0.004 0.000 0.938 251 K CB -0.018 32.454 32.500 -0.047 0.000 0.718 251 K HN 0.146 nan 8.250 nan 0.000 0.442 252 H N -0.322 118.760 119.070 0.019 0.000 2.321 252 H HA -0.096 4.459 4.556 -0.002 0.000 0.300 252 H C 2.045 177.399 175.328 0.043 0.000 1.087 252 H CA 2.073 58.151 56.048 0.049 0.000 1.319 252 H CB -0.021 29.793 29.762 0.086 0.000 1.379 252 H HN 0.078 nan 8.280 nan 0.000 0.501 253 R N 1.257 121.861 120.500 0.174 0.000 2.091 253 R HA -0.050 4.289 4.340 -0.002 0.000 0.238 253 R C 2.124 178.461 176.300 0.061 0.000 1.136 253 R CA 1.618 57.782 56.100 0.107 0.000 0.959 253 R CB -0.885 29.471 30.300 0.092 0.000 0.856 253 R HN 0.320 nan 8.270 nan 0.000 0.437 254 A N -0.848 121.997 122.820 0.042 0.000 2.067 254 A HA -0.056 4.263 4.320 -0.002 0.000 0.219 254 A C 1.656 179.243 177.584 0.007 0.000 1.158 254 A CA 1.605 53.652 52.037 0.017 0.000 0.661 254 A CB -0.540 18.463 19.000 0.006 0.000 0.801 254 A HN 0.588 nan 8.150 nan 0.000 0.452 255 T N -3.256 111.299 114.554 0.001 0.000 3.132 255 T HA 0.434 4.783 4.350 -0.002 0.000 0.274 255 T C 0.157 174.857 174.700 0.000 0.000 1.011 255 T CA -0.436 61.655 62.100 -0.015 0.000 0.899 255 T CB -0.397 68.440 68.868 -0.052 0.000 1.089 255 T HN 0.103 nan 8.240 nan 0.000 0.543 256 L N 2.928 124.166 121.223 0.025 0.000 2.453 256 L HA 0.486 4.825 4.340 -0.002 0.000 0.272 256 L C -0.434 176.452 176.870 0.027 0.000 1.182 256 L CA 0.341 55.205 54.840 0.041 0.000 0.858 256 L CB 0.598 42.691 42.059 0.056 0.000 1.120 256 L HN 0.163 nan 8.230 nan 0.000 0.474 257 D N 5.855 126.273 120.400 0.030 0.000 2.454 257 D HA 0.388 5.027 4.640 -0.002 0.000 0.247 257 D C -2.114 174.202 176.300 0.026 0.000 1.129 257 D CA -2.115 51.900 54.000 0.025 0.000 0.877 257 D CB 1.790 42.605 40.800 0.025 0.000 1.082 257 D HN 0.296 nan 8.370 nan 0.000 0.537 258 P HA -0.109 nan 4.420 nan 0.000 0.222 258 P C 1.278 178.586 177.300 0.014 0.000 1.147 258 P CA 0.869 63.974 63.100 0.009 0.000 0.790 258 P CB 0.258 31.961 31.700 0.004 0.000 0.780 259 S N -2.040 113.673 115.700 0.022 0.000 2.436 259 S HA -0.029 4.440 4.470 -0.002 0.000 0.228 259 S C 1.134 175.765 174.600 0.052 0.000 1.014 259 S CA 0.611 58.830 58.200 0.031 0.000 0.950 259 S CB -0.729 62.486 63.200 0.024 0.000 0.784 259 S HN -0.007 nan 8.310 nan 0.000 0.504 260 N N 2.319 121.052 118.700 0.055 0.000 2.791 260 N HA 0.448 5.187 4.740 -0.002 0.000 0.265 260 N C -3.291 172.274 175.510 0.092 0.000 1.580 260 N CA -2.051 51.047 53.050 0.081 0.000 0.809 260 N CB 1.079 39.602 38.487 0.060 0.000 1.178 260 N HN 0.133 nan 8.380 nan 0.000 0.499 261 P HA 0.172 nan 4.420 nan 0.000 0.268 261 P C 0.460 177.854 177.300 0.157 0.000 1.204 261 P CA 0.004 63.137 63.100 0.056 0.000 0.768 261 P CB 1.350 32.952 31.700 -0.164 0.000 0.842 262 R N 1.349 121.942 120.500 0.156 0.000 2.090 262 R HA 0.057 4.396 4.340 -0.002 0.000 0.219 262 R C 0.308 176.745 176.300 0.228 0.000 1.100 262 R CA 1.227 57.437 56.100 0.183 0.000 0.991 262 R CB -0.045 30.354 30.300 0.165 0.000 0.893 262 R HN 0.673 nan 8.270 nan 0.000 0.443 263 D N -3.244 117.294 120.400 0.230 0.000 2.779 263 D HA -0.039 4.599 4.640 -0.002 0.000 0.331 263 D C 0.099 176.524 176.300 0.208 0.000 1.331 263 D CA -0.785 53.366 54.000 0.251 0.000 0.866 263 D CB -0.260 40.716 40.800 0.293 0.000 1.409 263 D HN -0.177 nan 8.370 nan 0.000 0.486 264 F N 0.272 120.267 119.950 0.075 0.000 2.126 264 F HA -0.026 4.500 4.527 -0.002 0.000 0.299 264 F C 1.909 177.773 175.800 0.108 0.000 1.096 264 F CA 1.605 59.654 58.000 0.081 0.000 1.255 264 F CB -0.158 38.870 39.000 0.048 0.000 0.997 264 F HN 0.358 nan 8.300 nan 0.000 0.479 265 I N -0.132 120.585 120.570 0.245 0.000 2.179 265 I HA -0.314 3.855 4.170 -0.002 0.000 0.242 265 I C 2.038 178.197 176.117 0.070 0.000 1.088 265 I CA 1.551 62.888 61.300 0.061 0.000 1.357 265 I CB -0.576 37.216 38.000 -0.347 0.000 1.051 265 I HN 0.069 nan 8.210 nan 0.000 0.409 266 D N 0.470 120.930 120.400 0.100 0.000 2.104 266 D HA -0.147 4.492 4.640 -0.002 0.000 0.194 266 D C 2.319 178.610 176.300 -0.016 0.000 0.994 266 D CA 1.193 55.251 54.000 0.096 0.000 0.830 266 D CB -0.300 40.567 40.800 0.112 0.000 0.959 266 D HN 0.116 nan 8.370 nan 0.000 0.452 267 V N 0.288 120.124 119.914 -0.129 0.000 2.343 267 V HA -0.261 3.858 4.120 -0.002 0.000 0.247 267 V C 2.148 178.249 176.094 0.012 0.000 1.051 267 V CA 1.349 63.495 62.300 -0.256 0.000 1.036 267 V CB -0.650 30.819 31.823 -0.591 0.000 0.654 267 V HN 0.191 nan 8.190 nan 0.000 0.451 268 Y N 0.487 120.784 120.300 -0.005 0.000 2.145 268 Y HA -0.188 4.360 4.550 -0.002 0.000 0.286 268 Y C 2.250 178.094 175.900 -0.093 0.000 1.145 268 Y CA 1.494 59.534 58.100 -0.100 0.000 1.148 268 Y CB -0.295 38.114 38.460 -0.084 0.000 0.981 268 Y HN 0.122 nan 8.280 nan 0.000 0.507 269 L N -0.609 120.748 121.223 0.223 0.000 2.043 269 L HA -0.301 4.038 4.340 -0.002 0.000 0.212 269 L C 2.396 179.286 176.870 0.032 0.000 1.075 269 L CA 1.466 56.394 54.840 0.146 0.000 0.752 269 L CB -0.736 41.396 42.059 0.122 0.000 0.891 269 L HN 0.292 nan 8.230 nan 0.000 0.432 270 L N -0.775 120.433 121.223 -0.025 0.000 2.093 270 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 270 L C 2.780 179.571 176.870 -0.131 0.000 1.085 270 L CA 0.821 55.618 54.840 -0.072 0.000 0.755 270 L CB -0.445 41.556 42.059 -0.097 0.000 0.904 270 L HN 0.216 nan 8.230 nan 0.000 0.435 271 R N 0.626 120.990 120.500 -0.225 0.000 2.092 271 R HA -0.103 4.236 4.340 -0.002 0.000 0.231 271 R C 2.185 178.290 176.300 -0.324 0.000 1.119 271 R CA 1.582 57.444 56.100 -0.398 0.000 0.970 271 R CB -0.369 29.451 30.300 -0.800 0.000 0.864 271 R HN 0.220 nan 8.270 nan 0.000 0.440 272 M N 0.027 119.500 119.600 -0.211 0.000 2.108 272 M HA -0.164 4.315 4.480 -0.002 0.000 0.261 272 M C 2.057 178.341 176.300 -0.025 0.000 1.066 272 M CA 2.118 57.389 55.300 -0.049 0.000 1.107 272 M CB -0.332 32.323 32.600 0.092 0.000 1.356 272 M HN 0.141 nan 8.290 nan 0.000 0.406 273 E N 1.053 121.233 120.200 -0.033 0.000 2.051 273 E HA -0.185 4.164 4.350 -0.002 0.000 0.192 273 E C 1.903 178.477 176.600 -0.042 0.000 0.991 273 E CA 1.490 57.876 56.400 -0.022 0.000 0.799 273 E CB -0.210 29.479 29.700 -0.019 0.000 0.748 273 E HN 0.139 nan 8.360 nan 0.000 0.449 274 K N -0.065 120.288 120.400 -0.079 0.000 2.280 274 K HA -0.137 4.182 4.320 -0.002 0.000 0.202 274 K C 0.261 176.816 176.600 -0.075 0.000 1.047 274 K CA 1.459 57.695 56.287 -0.084 0.000 0.942 274 K CB -0.024 32.403 32.500 -0.122 0.000 0.739 274 K HN 0.157 nan 8.250 nan 0.000 0.457 275 D N -0.049 120.306 120.400 -0.075 0.000 2.395 275 D HA -0.049 4.589 4.640 -0.002 0.000 0.213 275 D C 1.480 177.781 176.300 0.001 0.000 1.110 275 D CA 0.087 54.063 54.000 -0.040 0.000 0.835 275 D CB 0.375 41.152 40.800 -0.039 0.000 0.965 275 D HN 0.208 nan 8.370 nan 0.000 0.505 276 K N 0.463 120.864 120.400 0.002 0.000 2.113 276 K HA -0.095 4.224 4.320 -0.002 0.000 0.208 276 K C 1.001 177.615 176.600 0.023 0.000 1.047 276 K CA 1.193 57.492 56.287 0.021 0.000 0.928 276 K CB -0.388 32.122 32.500 0.016 0.000 0.716 276 K HN -0.135 nan 8.250 nan 0.000 0.446 277 S N 1.049 116.757 115.700 0.013 0.000 2.650 277 S HA -0.009 4.460 4.470 -0.002 0.000 0.219 277 S C -0.185 174.426 174.600 0.018 0.000 0.960 277 S CA 0.087 58.294 58.200 0.013 0.000 0.925 277 S CB -0.038 63.165 63.200 0.006 0.000 0.775 277 S HN 0.378 nan 8.310 nan 0.000 0.525 278 D N 1.672 122.086 120.400 0.025 0.000 2.446 278 D HA 0.259 4.898 4.640 -0.002 0.000 0.251 278 D C -1.897 174.433 176.300 0.049 0.000 1.137 278 D CA -2.186 51.833 54.000 0.031 0.000 0.890 278 D CB 1.537 42.353 40.800 0.026 0.000 1.071 278 D HN -0.018 nan 8.370 nan 0.000 0.528 279 P HA -0.065 nan 4.420 nan 0.000 0.237 279 P C 0.983 178.327 177.300 0.073 0.000 1.178 279 P CA 0.416 63.552 63.100 0.061 0.000 0.766 279 P CB 0.268 31.995 31.700 0.045 0.000 0.876 280 S N -1.787 113.951 115.700 0.063 0.000 2.528 280 S HA 0.031 4.500 4.470 -0.002 0.000 0.219 280 S C 1.176 175.821 174.600 0.075 0.000 0.985 280 S CA -0.183 58.056 58.200 0.064 0.000 0.914 280 S CB -0.874 62.354 63.200 0.046 0.000 0.776 280 S HN 0.083 nan 8.310 nan 0.000 0.526 281 S N 1.291 117.041 115.700 0.084 0.000 2.558 281 S HA 0.085 4.554 4.470 -0.002 0.000 0.288 281 S C 0.972 175.604 174.600 0.054 0.000 1.318 281 S CA -0.317 57.940 58.200 0.095 0.000 1.056 281 S CB 0.371 63.640 63.200 0.115 0.000 0.853 281 S HN 0.441 nan 8.310 nan 0.000 0.505 282 E N 3.345 123.491 120.200 -0.090 0.000 2.478 282 E HA 0.033 4.382 4.350 -0.002 0.000 0.194 282 E C -0.342 175.795 176.600 -0.771 0.000 1.045 282 E CA 0.331 56.489 56.400 -0.403 0.000 0.868 282 E CB -0.030 29.375 29.700 -0.491 0.000 0.885 282 E HN 0.699 nan 8.360 nan 0.000 0.505 283 F N 2.319 122.071 119.950 -0.330 0.000 2.626 283 F HA 0.104 4.630 4.527 -0.002 0.000 0.353 283 F C 0.729 176.467 175.800 -0.103 0.000 1.230 283 F CA -0.468 57.279 58.000 -0.421 0.000 1.298 283 F CB -0.467 38.119 39.000 -0.691 0.000 1.670 283 F HN -0.010 nan 8.300 nan 0.000 0.633 284 H N -3.605 115.591 119.070 0.211 0.000 2.824 284 H HA 0.359 4.913 4.556 -0.002 0.000 0.345 284 H C 1.077 176.549 175.328 0.240 0.000 1.252 284 H CA -1.191 54.988 56.048 0.218 0.000 1.246 284 H CB 0.195 30.035 29.762 0.130 0.000 1.908 284 H HN 0.159 nan 8.280 nan 0.000 0.601 285 H N -0.659 118.600 119.070 0.316 0.000 2.353 285 H HA -0.146 4.409 4.556 -0.002 0.000 0.300 285 H C 2.144 177.531 175.328 0.098 0.000 1.090 285 H CA 2.367 58.498 56.048 0.139 0.000 1.327 285 H CB 0.258 30.052 29.762 0.053 0.000 1.383 285 H HN 0.743 nan 8.280 nan 0.000 0.508 286 Q N -0.243 119.666 119.800 0.182 0.000 2.084 286 Q HA -0.163 4.176 4.340 -0.002 0.000 0.202 286 Q C 1.751 177.763 176.000 0.021 0.000 0.978 286 Q CA 1.549 57.332 55.803 -0.033 0.000 0.844 286 Q CB 0.048 28.599 28.738 -0.310 0.000 0.898 286 Q HN 0.463 nan 8.270 nan 0.000 0.426 287 N N 0.395 119.224 118.700 0.215 0.000 2.309 287 N HA -0.133 4.606 4.740 -0.002 0.000 0.182 287 N C 1.589 177.053 175.510 -0.077 0.000 1.018 287 N CA 0.609 53.721 53.050 0.103 0.000 0.876 287 N CB -0.140 38.314 38.487 -0.055 0.000 0.972 287 N HN 0.246 nan 8.380 nan 0.000 0.434 288 L N 1.008 122.033 121.223 -0.330 0.000 2.023 288 L HA -0.010 4.329 4.340 -0.002 0.000 0.205 288 L C 1.848 178.498 176.870 -0.367 0.000 1.073 288 L CA 1.337 55.724 54.840 -0.755 0.000 0.745 288 L CB -0.721 40.788 42.059 -0.917 0.000 0.900 288 L HN -0.037 nan 8.230 nan 0.000 0.435 289 I N -0.214 120.152 120.570 -0.339 0.000 2.163 289 I HA -0.295 3.874 4.170 -0.002 0.000 0.243 289 I C 2.582 178.655 176.117 -0.073 0.000 1.085 289 I CA 1.581 62.752 61.300 -0.213 0.000 1.347 289 I CB -1.297 36.557 38.000 -0.242 0.000 1.044 289 I HN 0.298 nan 8.210 nan 0.000 0.408 290 L N -0.275 120.934 121.223 -0.023 0.000 2.240 290 L HA -0.114 4.225 4.340 -0.002 0.000 0.211 290 L C 2.430 179.433 176.870 0.223 0.000 1.106 290 L CA 0.872 55.787 54.840 0.125 0.000 0.793 290 L CB -0.776 41.410 42.059 0.212 0.000 0.927 290 L HN 0.214 nan 8.230 nan 0.000 0.446 291 T N -0.533 114.096 114.554 0.125 0.000 2.777 291 T HA -0.121 4.228 4.350 -0.002 0.000 0.266 291 T C 2.050 176.758 174.700 0.012 0.000 1.040 291 T CA 1.113 63.286 62.100 0.123 0.000 1.141 291 T CB -0.096 68.891 68.868 0.199 0.000 0.868 291 T HN 0.037 nan 8.240 nan 0.000 0.444 292 V N 1.629 121.518 119.914 -0.041 0.000 2.343 292 V HA -0.123 3.996 4.120 -0.002 0.000 0.247 292 V C 2.414 178.571 176.094 0.106 0.000 1.051 292 V CA 1.303 63.546 62.300 -0.094 0.000 1.036 292 V CB -0.690 31.117 31.823 -0.026 0.000 0.654 292 V HN 0.314 nan 8.190 nan 0.000 0.451 293 L N 0.216 121.553 121.223 0.191 0.000 2.012 293 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 293 L C 2.567 179.707 176.870 0.451 0.000 1.073 293 L CA 2.278 57.298 54.840 0.301 0.000 0.748 293 L CB -0.737 41.409 42.059 0.145 0.000 0.891 293 L HN 0.292 nan 8.230 nan 0.000 0.431 294 S N -0.467 115.486 115.700 0.422 0.000 2.374 294 S HA -0.196 4.273 4.470 -0.002 0.000 0.227 294 S C 1.918 176.666 174.600 0.247 0.000 1.037 294 S CA 1.787 60.200 58.200 0.354 0.000 1.024 294 S CB -0.509 62.796 63.200 0.175 0.000 0.861 294 S HN 0.468 nan 8.310 nan 0.000 0.456 295 L N -0.411 120.846 121.223 0.057 0.000 2.083 295 L HA -0.087 4.252 4.340 -0.002 0.000 0.209 295 L C 2.148 178.977 176.870 -0.067 0.000 1.083 295 L CA 1.184 55.957 54.840 -0.112 0.000 0.752 295 L CB -0.584 41.239 42.059 -0.394 0.000 0.899 295 L HN 0.248 nan 8.230 nan 0.000 0.433 296 F N -0.816 119.197 119.950 0.105 0.000 2.146 296 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 296 F C 2.337 178.441 175.800 0.506 0.000 1.096 296 F CA 1.411 59.504 58.000 0.155 0.000 1.275 296 F CB -0.663 38.236 39.000 -0.169 0.000 1.008 296 F HN -0.071 nan 8.300 nan 0.000 0.480 297 F N 0.521 120.846 119.950 0.626 0.000 2.102 297 F HA -0.099 4.427 4.527 -0.002 0.000 0.298 297 F C 2.282 178.346 175.800 0.441 0.000 1.105 297 F CA 1.423 59.816 58.000 0.655 0.000 1.239 297 F CB -0.614 38.715 39.000 0.548 0.000 0.991 297 F HN -0.098 nan 8.300 nan 0.000 0.474 298 A N -0.749 122.269 122.820 0.330 0.000 2.021 298 A HA 0.208 4.527 4.320 -0.002 0.000 0.216 298 A C 2.236 179.860 177.584 0.066 0.000 1.163 298 A CA 1.010 53.107 52.037 0.100 0.000 0.676 298 A CB -1.302 17.747 19.000 0.081 0.000 0.818 298 A HN 0.438 nan 8.150 nan 0.000 0.453 299 G N -1.068 107.799 108.800 0.112 0.000 2.939 299 G HA2 0.189 4.148 3.960 -0.002 0.000 0.210 299 G HA3 0.189 4.148 3.960 -0.002 0.000 0.210 299 G C 1.296 176.279 174.900 0.140 0.000 1.160 299 G CA 1.462 46.613 45.100 0.085 0.000 0.770 299 G HN 0.591 nan 8.290 nan 0.000 0.543 300 T N -1.495 113.171 114.554 0.187 0.000 3.205 300 T HA 0.094 4.443 4.350 -0.002 0.000 0.238 300 T C 1.894 176.703 174.700 0.183 0.000 0.974 300 T CA 1.006 63.285 62.100 0.298 0.000 1.246 300 T CB -0.012 69.193 68.868 0.561 0.000 1.007 300 T HN 0.085 nan 8.240 nan 0.000 0.414 301 E N 1.859 121.969 120.200 -0.150 0.000 2.058 301 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 301 E C 2.180 178.677 176.600 -0.172 0.000 0.997 301 E CA 2.377 58.555 56.400 -0.370 0.000 0.801 301 E CB -1.135 27.618 29.700 -1.579 0.000 0.746 301 E HN 0.560 nan 8.360 nan 0.000 0.450 302 T N -0.326 114.115 114.554 -0.188 0.000 2.746 302 T HA -0.125 4.224 4.350 -0.002 0.000 0.267 302 T C 1.851 176.546 174.700 -0.008 0.000 1.039 302 T CA 1.834 63.873 62.100 -0.101 0.000 1.142 302 T CB -0.659 68.144 68.868 -0.107 0.000 0.866 302 T HN 0.264 nan 8.240 nan 0.000 0.444 303 T N 1.429 116.008 114.554 0.041 0.000 2.777 303 T HA -0.088 4.261 4.350 -0.002 0.000 0.266 303 T C 2.327 177.059 174.700 0.053 0.000 1.040 303 T CA 1.381 63.526 62.100 0.075 0.000 1.141 303 T CB -0.456 68.483 68.868 0.118 0.000 0.868 303 T HN 0.370 nan 8.240 nan 0.000 0.444 304 S N 0.634 116.392 115.700 0.097 0.000 2.356 304 S HA -0.149 4.320 4.470 -0.002 0.000 0.223 304 S C 2.217 176.890 174.600 0.120 0.000 1.032 304 S CA 1.834 60.102 58.200 0.113 0.000 1.005 304 S CB -0.765 62.604 63.200 0.282 0.000 0.867 304 S HN 0.525 nan 8.310 nan 0.000 0.449 305 T N 1.237 115.866 114.554 0.124 0.000 2.867 305 T HA -0.047 4.302 4.350 -0.002 0.000 0.268 305 T C 1.860 176.669 174.700 0.181 0.000 1.057 305 T CA 1.691 63.878 62.100 0.145 0.000 1.136 305 T CB -0.734 68.184 68.868 0.083 0.000 0.874 305 T HN 0.505 nan 8.240 nan 0.000 0.466 306 T N 2.539 117.170 114.554 0.128 0.000 2.746 306 T HA 0.016 4.365 4.350 -0.002 0.000 0.267 306 T C 1.955 176.819 174.700 0.274 0.000 1.039 306 T CA 0.916 63.133 62.100 0.194 0.000 1.142 306 T CB -0.436 68.511 68.868 0.132 0.000 0.866 306 T HN 0.267 nan 8.240 nan 0.000 0.444 307 L N 0.235 121.494 121.223 0.061 0.000 2.046 307 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 307 L C 2.874 179.966 176.870 0.370 0.000 1.077 307 L CA 1.295 56.061 54.840 -0.123 0.000 0.747 307 L CB -0.427 41.114 42.059 -0.864 0.000 0.896 307 L HN 0.128 nan 8.230 nan 0.000 0.432 308 R N -0.962 119.815 120.500 0.462 0.000 2.075 308 R HA -0.231 4.108 4.340 -0.002 0.000 0.232 308 R C 2.461 179.129 176.300 0.613 0.000 1.126 308 R CA 1.605 58.118 56.100 0.688 0.000 0.963 308 R CB -0.356 30.221 30.300 0.463 0.000 0.858 308 R HN 0.244 nan 8.270 nan 0.000 0.435 309 Y N 0.326 120.821 120.300 0.325 0.000 2.200 309 Y HA -0.032 4.517 4.550 -0.002 0.000 0.290 309 Y C 2.051 178.037 175.900 0.143 0.000 1.137 309 Y CA 1.688 59.906 58.100 0.197 0.000 1.163 309 Y CB -0.749 37.792 38.460 0.135 0.000 0.988 309 Y HN 0.142 nan 8.280 nan 0.000 0.518 310 G N -0.673 108.267 108.800 0.234 0.000 2.440 310 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.218 310 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.218 310 G C 1.518 176.299 174.900 -0.199 0.000 1.154 310 G CA 1.044 46.128 45.100 -0.026 0.000 0.767 310 G HN 0.435 nan 8.290 nan 0.000 0.552 311 F N -0.145 119.942 119.950 0.229 0.000 2.325 311 F HA 0.115 4.641 4.527 -0.002 0.000 0.299 311 F C 2.360 178.075 175.800 -0.142 0.000 1.090 311 F CA 0.463 58.567 58.000 0.174 0.000 1.392 311 F CB -0.219 39.064 39.000 0.472 0.000 1.053 311 F HN 0.104 nan 8.300 nan 0.000 0.521 312 L N 0.061 121.156 121.223 -0.213 0.000 2.017 312 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 312 L C 2.063 178.614 176.870 -0.532 0.000 1.073 312 L CA 1.791 56.240 54.840 -0.650 0.000 0.745 312 L CB -0.818 40.833 42.059 -0.680 0.000 0.894 312 L HN 0.105 nan 8.230 nan 0.000 0.432 313 L N -1.472 119.395 121.223 -0.594 0.000 2.083 313 L HA -0.250 4.089 4.340 -0.002 0.000 0.209 313 L C 2.521 179.124 176.870 -0.445 0.000 1.083 313 L CA 1.607 56.072 54.840 -0.624 0.000 0.752 313 L CB -0.446 41.037 42.059 -0.960 0.000 0.899 313 L HN 0.329 nan 8.230 nan 0.000 0.433 314 M N -0.875 118.500 119.600 -0.375 0.000 2.296 314 M HA -0.180 4.299 4.480 -0.002 0.000 0.265 314 M C 2.159 178.366 176.300 -0.155 0.000 1.064 314 M CA 1.488 56.649 55.300 -0.233 0.000 1.109 314 M CB -0.179 32.267 32.600 -0.258 0.000 1.396 314 M HN 0.231 nan 8.290 nan 0.000 0.430 315 L N -0.278 120.825 121.223 -0.200 0.000 2.109 315 L HA -0.171 4.168 4.340 -0.002 0.000 0.207 315 L C 2.502 179.201 176.870 -0.284 0.000 1.086 315 L CA 1.163 55.881 54.840 -0.204 0.000 0.760 315 L CB -0.495 41.422 42.059 -0.236 0.000 0.910 315 L HN 0.255 nan 8.230 nan 0.000 0.437 316 K N -0.188 119.959 120.400 -0.421 0.000 2.155 316 K HA -0.124 4.195 4.320 -0.002 0.000 0.203 316 K C -0.129 175.999 176.600 -0.787 0.000 1.052 316 K CA 1.057 56.949 56.287 -0.659 0.000 0.948 316 K CB 0.178 32.148 32.500 -0.884 0.000 0.728 316 K HN 0.212 nan 8.250 nan 0.000 0.448 317 Y N -0.305 119.881 120.300 -0.189 0.000 2.658 317 Y HA 0.269 4.817 4.550 -0.002 0.000 0.362 317 Y C -2.149 173.700 175.900 -0.085 0.000 1.017 317 Y CA -2.283 55.747 58.100 -0.117 0.000 1.134 317 Y CB 1.459 39.900 38.460 -0.031 0.000 1.144 317 Y HN 0.094 nan 8.280 nan 0.000 0.655 318 P HA -0.168 nan 4.420 nan 0.000 0.219 318 P C 0.874 178.241 177.300 0.110 0.000 1.146 318 P CA 1.799 64.896 63.100 -0.006 0.000 0.808 318 P CB 0.157 31.816 31.700 -0.067 0.000 0.779 319 H N -1.590 117.542 119.070 0.103 0.000 2.423 319 H HA -0.058 4.498 4.556 -0.001 0.000 0.297 319 H C 1.779 177.174 175.328 0.112 0.000 1.075 319 H CA 0.394 56.495 56.048 0.088 0.000 1.342 319 H CB -0.273 29.538 29.762 0.081 0.000 1.395 319 H HN -0.071 nan 8.280 nan 0.000 0.530 320 V N 0.377 120.469 119.914 0.296 0.000 2.307 320 V HA -0.234 3.884 4.120 -0.002 0.000 0.245 320 V C 2.291 178.541 176.094 0.259 0.000 1.045 320 V CA 2.169 64.665 62.300 0.328 0.000 1.024 320 V CB -0.510 31.540 31.823 0.378 0.000 0.651 320 V HN 0.519 nan 8.190 nan 0.000 0.449 321 T N -0.267 114.385 114.554 0.163 0.000 2.720 321 T HA -0.264 4.085 4.350 -0.002 0.000 0.268 321 T C 1.844 176.615 174.700 0.119 0.000 1.037 321 T CA 1.883 64.046 62.100 0.105 0.000 1.144 321 T CB -0.232 68.674 68.868 0.063 0.000 0.864 321 T HN 0.682 nan 8.240 nan 0.000 0.444 322 E N 1.095 121.368 120.200 0.122 0.000 2.077 322 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 322 E C 2.394 179.031 176.600 0.061 0.000 0.989 322 E CA 1.030 57.485 56.400 0.092 0.000 0.800 322 E CB -0.020 29.739 29.700 0.098 0.000 0.746 322 E HN 0.367 nan 8.360 nan 0.000 0.452 323 R N -0.033 120.498 120.500 0.051 0.000 2.096 323 R HA -0.093 4.246 4.340 -0.002 0.000 0.235 323 R C 2.457 178.786 176.300 0.048 0.000 1.127 323 R CA 1.305 57.367 56.100 -0.064 0.000 0.968 323 R CB -0.256 29.837 30.300 -0.344 0.000 0.861 323 R HN 0.155 nan 8.270 nan 0.000 0.440 324 V N 1.339 121.380 119.914 0.212 0.000 2.295 324 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 324 V C 2.298 178.466 176.094 0.124 0.000 1.049 324 V CA 1.795 64.228 62.300 0.220 0.000 1.024 324 V CB -0.486 31.430 31.823 0.154 0.000 0.648 324 V HN 0.382 nan 8.190 nan 0.000 0.447 325 Q N -0.326 119.532 119.800 0.097 0.000 2.124 325 Q HA -0.265 4.074 4.340 -0.002 0.000 0.202 325 Q C 2.384 178.415 176.000 0.051 0.000 0.977 325 Q CA 1.801 57.648 55.803 0.074 0.000 0.850 325 Q CB -0.249 28.534 28.738 0.075 0.000 0.901 325 Q HN 0.589 nan 8.270 nan 0.000 0.429 326 K N 1.106 121.527 120.400 0.036 0.000 2.063 326 K HA -0.242 4.077 4.320 -0.002 0.000 0.208 326 K C 1.918 178.532 176.600 0.024 0.000 1.048 326 K CA 1.526 57.821 56.287 0.013 0.000 0.928 326 K CB 0.017 32.506 32.500 -0.019 0.000 0.713 326 K HN 0.158 nan 8.250 nan 0.000 0.442 327 E N 0.430 120.657 120.200 0.045 0.000 2.077 327 E HA -0.175 4.173 4.350 -0.002 0.000 0.193 327 E C 2.035 178.684 176.600 0.082 0.000 0.989 327 E CA 1.248 57.691 56.400 0.072 0.000 0.800 327 E CB -0.058 29.720 29.700 0.129 0.000 0.746 327 E HN 0.339 nan 8.360 nan 0.000 0.452 328 I N 0.974 121.594 120.570 0.083 0.000 2.151 328 I HA -0.291 3.878 4.170 -0.002 0.000 0.243 328 I C 2.572 178.719 176.117 0.049 0.000 1.080 328 I CA 1.466 62.808 61.300 0.070 0.000 1.339 328 I CB -0.268 37.765 38.000 0.055 0.000 1.039 328 I HN 0.157 nan 8.210 nan 0.000 0.409 329 E N 1.048 121.269 120.200 0.034 0.000 2.077 329 E HA -0.257 4.092 4.350 -0.002 0.000 0.193 329 E C 2.130 178.744 176.600 0.022 0.000 0.989 329 E CA 1.661 58.071 56.400 0.016 0.000 0.800 329 E CB -0.127 29.578 29.700 0.007 0.000 0.746 329 E HN 0.463 nan 8.360 nan 0.000 0.452 330 Q N -0.784 119.033 119.800 0.029 0.000 2.079 330 Q HA -0.060 4.279 4.340 -0.002 0.000 0.200 330 Q C 2.186 178.210 176.000 0.040 0.000 0.974 330 Q CA 1.624 57.445 55.803 0.029 0.000 0.840 330 Q CB 0.220 28.974 28.738 0.026 0.000 0.898 330 Q HN 0.223 nan 8.270 nan 0.000 0.430 331 V N -0.238 119.709 119.914 0.056 0.000 2.575 331 V HA -0.081 4.038 4.120 -0.002 0.000 0.242 331 V C 1.813 177.949 176.094 0.070 0.000 1.045 331 V CA 1.177 63.517 62.300 0.067 0.000 1.065 331 V CB -0.012 31.866 31.823 0.092 0.000 0.717 331 V HN 0.277 nan 8.190 nan 0.000 0.467 332 I N -0.972 119.640 120.570 0.071 0.000 3.039 332 I HA 0.473 4.642 4.170 -0.002 0.000 0.270 332 I C 1.341 177.488 176.117 0.050 0.000 1.150 332 I CA 0.956 62.298 61.300 0.070 0.000 1.448 332 I CB -0.008 38.038 38.000 0.078 0.000 1.197 332 I HN 0.463 nan 8.210 nan 0.000 0.450 333 G N 1.382 110.199 108.800 0.029 0.000 2.660 333 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.215 333 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.215 333 G C 0.379 175.249 174.900 -0.049 0.000 1.345 333 G CA 0.018 45.115 45.100 -0.004 0.000 0.877 333 G HN 0.384 nan 8.290 nan 0.000 0.549 334 S N -1.598 114.004 115.700 -0.163 0.000 2.559 334 S HA 0.394 4.863 4.470 -0.002 0.000 0.226 334 S C 1.065 175.472 174.600 -0.321 0.000 1.000 334 S CA 0.958 59.013 58.200 -0.242 0.000 0.948 334 S CB 0.181 63.180 63.200 -0.335 0.000 0.870 334 S HN 0.849 nan 8.310 nan 0.000 0.497 335 H N 1.438 120.522 119.070 0.023 0.000 2.334 335 H HA 0.407 4.961 4.556 -0.002 0.000 0.307 335 H C 0.909 176.252 175.328 0.025 0.000 1.092 335 H CA -0.412 55.649 56.048 0.021 0.000 1.567 335 H CB -0.198 29.576 29.762 0.019 0.000 1.505 335 H HN 0.189 nan 8.280 nan 0.000 0.637 336 R N 3.239 123.843 120.500 0.172 0.000 2.523 336 R HA -0.012 4.327 4.340 -0.002 0.000 0.281 336 R C -2.552 173.796 176.300 0.080 0.000 0.969 336 R CA -1.078 55.086 56.100 0.106 0.000 1.093 336 R CB 0.077 30.433 30.300 0.093 0.000 0.917 336 R HN 0.111 nan 8.270 nan 0.000 0.408 337 P HA 0.165 nan 4.420 nan 0.000 0.271 337 P C -2.478 174.863 177.300 0.067 0.000 1.216 337 P CA -1.341 61.798 63.100 0.064 0.000 0.776 337 P CB 0.381 32.118 31.700 0.062 0.000 0.881 338 P HA 0.193 nan 4.420 nan 0.000 0.267 338 P C -0.745 176.626 177.300 0.119 0.000 1.200 338 P CA 0.527 63.678 63.100 0.086 0.000 0.772 338 P CB 0.346 32.045 31.700 -0.002 0.000 0.855 339 A N 1.919 124.850 122.820 0.185 0.000 2.469 339 A HA 0.415 4.733 4.320 -0.002 0.000 0.299 339 A C 0.587 178.299 177.584 0.213 0.000 1.098 339 A CA -0.513 51.616 52.037 0.152 0.000 0.737 339 A CB 0.670 19.724 19.000 0.089 0.000 1.312 339 A HN 0.499 nan 8.150 nan 0.000 0.414 340 L N 0.198 121.488 121.223 0.112 0.000 2.131 340 L HA -0.080 4.259 4.340 -0.002 0.000 0.210 340 L C 1.388 178.193 176.870 -0.108 0.000 1.092 340 L CA 2.338 57.181 54.840 0.004 0.000 0.759 340 L CB -0.619 41.422 42.059 -0.030 0.000 0.903 340 L HN 0.802 nan 8.230 nan 0.000 0.435 341 D N -0.075 120.305 120.400 -0.032 0.000 2.228 341 D HA -0.196 4.443 4.640 -0.002 0.000 0.203 341 D C 1.663 177.939 176.300 -0.040 0.000 0.988 341 D CA 1.269 55.246 54.000 -0.039 0.000 0.864 341 D CB -0.130 40.669 40.800 -0.002 0.000 0.928 341 D HN 0.456 nan 8.370 nan 0.000 0.469 342 D N -0.312 120.101 120.400 0.022 0.000 2.219 342 D HA -0.112 4.527 4.640 -0.002 0.000 0.205 342 D C 1.985 178.269 176.300 -0.028 0.000 0.970 342 D CA 0.311 54.367 54.000 0.093 0.000 0.851 342 D CB -0.075 40.901 40.800 0.293 0.000 0.943 342 D HN 0.265 nan 8.370 nan 0.000 0.488 343 R N 1.022 121.252 120.500 -0.451 0.000 2.081 343 R HA -0.114 4.225 4.340 -0.002 0.000 0.235 343 R C 2.095 178.242 176.300 -0.256 0.000 1.131 343 R CA 1.450 57.103 56.100 -0.744 0.000 0.960 343 R CB -0.120 29.424 30.300 -1.259 0.000 0.856 343 R HN 0.059 nan 8.270 nan 0.000 0.436 344 A N 0.919 123.630 122.820 -0.181 0.000 2.019 344 A HA -0.144 4.174 4.320 -0.002 0.000 0.219 344 A C 1.628 179.191 177.584 -0.034 0.000 1.164 344 A CA 1.463 53.447 52.037 -0.088 0.000 0.644 344 A CB -0.161 18.797 19.000 -0.070 0.000 0.805 344 A HN 0.359 nan 8.150 nan 0.000 0.449 345 K N -1.251 119.142 120.400 -0.012 0.000 2.417 345 K HA 0.307 4.626 4.320 -0.002 0.000 0.196 345 K C -0.104 176.533 176.600 0.062 0.000 1.023 345 K CA 0.198 56.501 56.287 0.027 0.000 1.122 345 K CB 0.252 32.774 32.500 0.036 0.000 0.850 345 K HN 0.432 nan 8.250 nan 0.000 0.521 346 M N 1.469 121.114 119.600 0.075 0.000 2.746 346 M HA 0.155 4.634 4.480 -0.002 0.000 0.209 346 M C -2.079 174.296 176.300 0.126 0.000 1.077 346 M CA -1.539 53.845 55.300 0.141 0.000 0.695 346 M CB 1.289 34.042 32.600 0.254 0.000 1.416 346 M HN -0.161 nan 8.290 nan 0.000 0.459 347 P HA -0.188 nan 4.420 nan 0.000 0.219 347 P C 1.143 178.493 177.300 0.083 0.000 1.150 347 P CA 1.356 64.493 63.100 0.062 0.000 0.814 347 P CB 0.096 31.825 31.700 0.050 0.000 0.787 348 Y N 1.544 121.862 120.300 0.030 0.000 2.163 348 Y HA -0.156 4.394 4.550 -0.001 0.000 0.288 348 Y C 2.386 178.310 175.900 0.039 0.000 1.136 348 Y CA 2.247 60.361 58.100 0.023 0.000 1.147 348 Y CB -1.133 37.340 38.460 0.020 0.000 0.987 348 Y HN -0.117 nan 8.280 nan 0.000 0.509 349 T N -0.024 114.601 114.554 0.118 0.000 2.746 349 T HA -0.202 4.147 4.350 -0.002 0.000 0.267 349 T C 1.528 176.251 174.700 0.039 0.000 1.039 349 T CA 1.627 63.766 62.100 0.066 0.000 1.142 349 T CB -0.471 68.526 68.868 0.215 0.000 0.866 349 T HN 0.374 nan 8.240 nan 0.000 0.444 350 D N 1.109 121.568 120.400 0.098 0.000 2.117 350 D HA -0.043 4.596 4.640 -0.002 0.000 0.197 350 D C 2.290 178.603 176.300 0.022 0.000 0.987 350 D CA 1.297 55.362 54.000 0.107 0.000 0.829 350 D CB -0.373 40.466 40.800 0.065 0.000 0.961 350 D HN 0.357 nan 8.370 nan 0.000 0.460 351 A N 0.042 122.778 122.820 -0.141 0.000 1.933 351 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 351 A C 2.615 180.036 177.584 -0.272 0.000 1.175 351 A CA 1.542 53.439 52.037 -0.234 0.000 0.628 351 A CB -0.749 18.149 19.000 -0.169 0.000 0.814 351 A HN 0.208 nan 8.150 nan 0.000 0.444 352 V N 0.229 119.941 119.914 -0.337 0.000 2.295 352 V HA -0.279 3.840 4.120 -0.002 0.000 0.246 352 V C 2.424 178.437 176.094 -0.134 0.000 1.049 352 V CA 2.105 64.242 62.300 -0.272 0.000 1.024 352 V CB -0.660 30.973 31.823 -0.316 0.000 0.648 352 V HN 0.591 nan 8.190 nan 0.000 0.447 353 I N -0.677 119.826 120.570 -0.112 0.000 2.226 353 I HA -0.276 3.893 4.170 -0.002 0.000 0.245 353 I C 2.478 178.553 176.117 -0.069 0.000 1.100 353 I CA 1.754 63.035 61.300 -0.031 0.000 1.374 353 I CB -0.606 37.460 38.000 0.110 0.000 1.057 353 I HN 0.356 nan 8.210 nan 0.000 0.413 354 H N 0.179 119.018 119.070 -0.384 0.000 2.319 354 H HA -0.242 4.313 4.556 -0.002 0.000 0.297 354 H C 2.166 177.186 175.328 -0.514 0.000 1.097 354 H CA 1.974 57.522 56.048 -0.833 0.000 1.285 354 H CB -0.127 28.367 29.762 -2.114 0.000 1.368 354 H HN 0.263 nan 8.280 nan 0.000 0.495 355 E N 0.527 120.599 120.200 -0.214 0.000 2.106 355 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 355 E C 2.057 178.829 176.600 0.287 0.000 0.984 355 E CA 0.785 57.258 56.400 0.121 0.000 0.806 355 E CB -0.296 29.369 29.700 -0.057 0.000 0.750 355 E HN 0.482 nan 8.360 nan 0.000 0.458 356 I N 0.600 121.345 120.570 0.292 0.000 2.163 356 I HA -0.346 3.823 4.170 -0.002 0.000 0.243 356 I C 2.491 178.796 176.117 0.312 0.000 1.085 356 I CA 1.518 63.017 61.300 0.331 0.000 1.347 356 I CB -0.342 37.756 38.000 0.164 0.000 1.044 356 I HN 0.230 nan 8.210 nan 0.000 0.408 357 Q N -0.020 119.902 119.800 0.204 0.000 2.124 357 Q HA -0.238 4.101 4.340 -0.002 0.000 0.202 357 Q C 2.359 178.400 176.000 0.068 0.000 0.977 357 Q CA 1.313 57.181 55.803 0.109 0.000 0.850 357 Q CB -0.245 28.544 28.738 0.085 0.000 0.901 357 Q HN 0.451 nan 8.270 nan 0.000 0.429 358 R N 0.533 121.145 120.500 0.185 0.000 2.061 358 R HA -0.147 4.192 4.340 -0.002 0.000 0.230 358 R C 2.232 178.494 176.300 -0.062 0.000 1.140 358 R CA 1.082 57.215 56.100 0.056 0.000 0.940 358 R CB -0.248 30.112 30.300 0.101 0.000 0.839 358 R HN 0.185 nan 8.270 nan 0.000 0.429 359 L N 0.643 121.928 121.223 0.104 0.000 2.141 359 L HA 0.026 4.365 4.340 -0.002 0.000 0.209 359 L C 2.158 179.083 176.870 0.092 0.000 1.094 359 L CA 2.025 56.979 54.840 0.191 0.000 0.763 359 L CB -0.838 41.472 42.059 0.419 0.000 0.908 359 L HN 0.352 nan 8.230 nan 0.000 0.437 360 G N -1.162 107.632 108.800 -0.010 0.000 2.446 360 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.217 360 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.217 360 G C 0.559 175.272 174.900 -0.311 0.000 1.168 360 G CA 0.828 45.613 45.100 -0.525 0.000 0.771 360 G HN 0.547 nan 8.290 nan 0.000 0.551 361 D N -1.490 118.814 120.400 -0.161 0.000 2.697 361 D HA -0.122 4.517 4.640 -0.002 0.000 0.238 361 D C 1.189 177.412 176.300 -0.127 0.000 1.152 361 D CA 0.101 54.038 54.000 -0.104 0.000 0.666 361 D CB -1.130 39.704 40.800 0.056 0.000 1.037 361 D HN 0.103 nan 8.370 nan 0.000 0.423 362 L N 0.116 121.235 121.223 -0.174 0.000 2.395 362 L HA 0.197 4.536 4.340 -0.002 0.000 0.218 362 L C 1.371 178.137 176.870 -0.172 0.000 1.130 362 L CA 1.036 55.776 54.840 -0.165 0.000 0.826 362 L CB -0.161 41.801 42.059 -0.161 0.000 0.941 362 L HN 0.440 nan 8.230 nan 0.000 0.451 363 I N 1.178 121.633 120.570 -0.191 0.000 2.833 363 I HA 0.142 4.311 4.170 -0.002 0.000 0.286 363 I C -1.419 174.568 176.117 -0.217 0.000 1.287 363 I CA -0.813 60.349 61.300 -0.230 0.000 1.046 363 I CB 1.339 39.211 38.000 -0.214 0.000 1.612 363 I HN -0.087 nan 8.210 nan 0.000 0.585 364 P HA -0.095 nan 4.420 nan 0.000 0.222 364 P C 0.865 178.232 177.300 0.113 0.000 1.153 364 P CA 1.258 64.349 63.100 -0.015 0.000 0.798 364 P CB -0.005 31.744 31.700 0.081 0.000 0.796 365 F N -1.749 118.301 119.950 0.168 0.000 2.708 365 F HA 0.707 5.232 4.527 -0.002 0.000 0.300 365 F C 0.865 176.764 175.800 0.165 0.000 1.118 365 F CA -0.716 57.439 58.000 0.259 0.000 1.307 365 F CB -0.422 38.890 39.000 0.520 0.000 0.986 365 F HN 0.049 nan 8.300 nan 0.000 0.522 366 G N 0.580 109.357 108.800 -0.038 0.000 2.698 366 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.233 366 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.233 366 G C -1.121 173.700 174.900 -0.131 0.000 1.352 366 G CA -0.539 44.521 45.100 -0.068 0.000 0.879 366 G HN 0.456 nan 8.290 nan 0.000 0.567 367 V N 1.918 121.773 119.914 -0.097 0.000 2.459 367 V HA 0.557 4.676 4.120 -0.002 0.000 0.295 367 V C -1.800 174.199 176.094 -0.158 0.000 1.029 367 V CA -1.217 61.010 62.300 -0.122 0.000 0.874 367 V CB 1.896 33.648 31.823 -0.118 0.000 0.985 367 V HN 0.712 nan 8.190 nan 0.000 0.438 368 P HA 0.123 nan 4.420 nan 0.000 0.264 368 P C -0.359 176.853 177.300 -0.148 0.000 1.183 368 P CA 0.463 63.300 63.100 -0.439 0.000 0.763 368 P CB 0.241 31.704 31.700 -0.394 0.000 0.807 369 H N 0.038 118.980 119.070 -0.214 0.000 2.649 369 H HA 0.584 5.139 4.556 -0.002 0.000 0.337 369 H C 0.354 175.622 175.328 -0.101 0.000 1.282 369 H CA -0.486 55.476 56.048 -0.143 0.000 1.333 369 H CB 2.001 31.716 29.762 -0.079 0.000 1.787 369 H HN 0.397 nan 8.280 nan 0.000 0.632 370 T N -1.813 112.742 114.554 0.001 0.000 2.883 370 T HA 0.422 4.771 4.350 -0.002 0.000 0.296 370 T C -0.243 174.390 174.700 -0.112 0.000 1.117 370 T CA -1.005 61.066 62.100 -0.048 0.000 1.006 370 T CB 1.131 69.953 68.868 -0.077 0.000 1.191 370 T HN 0.415 nan 8.240 nan 0.000 0.508 371 V N 0.280 120.070 119.914 -0.208 0.000 2.607 371 V HA 0.543 4.662 4.120 -0.002 0.000 0.289 371 V C 1.339 177.311 176.094 -0.203 0.000 1.053 371 V CA 0.116 62.212 62.300 -0.340 0.000 0.996 371 V CB 0.494 32.020 31.823 -0.495 0.000 0.995 371 V HN 1.200 nan 8.190 nan 0.000 0.476 372 T N -0.065 114.381 114.554 -0.180 0.000 3.100 372 T HA 0.232 4.581 4.350 -0.002 0.000 0.253 372 T C 0.392 175.043 174.700 -0.081 0.000 1.118 372 T CA 0.550 62.589 62.100 -0.101 0.000 1.058 372 T CB -0.421 68.412 68.868 -0.060 0.000 0.953 372 T HN 1.005 nan 8.240 nan 0.000 0.515 373 K N -0.495 119.840 120.400 -0.108 0.000 2.578 373 K HA 0.484 4.803 4.320 -0.002 0.000 0.287 373 K C -2.117 174.429 176.600 -0.091 0.000 1.010 373 K CA -1.096 55.146 56.287 -0.075 0.000 0.889 373 K CB 0.536 33.006 32.500 -0.050 0.000 1.514 373 K HN -0.266 nan 8.250 nan 0.000 0.424 374 D N 1.523 121.890 120.400 -0.055 0.000 2.493 374 D HA 0.136 4.775 4.640 -0.002 0.000 0.240 374 D C -0.732 175.540 176.300 -0.046 0.000 1.142 374 D CA 0.702 54.676 54.000 -0.043 0.000 0.872 374 D CB 0.864 41.656 40.800 -0.014 0.000 1.173 374 D HN 0.418 nan 8.370 nan 0.000 0.467 375 T N 3.500 118.023 114.554 -0.051 0.000 2.848 375 T HA 0.226 4.575 4.350 -0.002 0.000 0.285 375 T C -0.273 174.472 174.700 0.076 0.000 0.995 375 T CA -0.913 61.162 62.100 -0.040 0.000 0.970 375 T CB 1.451 70.181 68.868 -0.230 0.000 0.976 375 T HN 0.111 nan 8.240 nan 0.000 0.441 376 Q N 2.714 122.586 119.800 0.120 0.000 2.314 376 Q HA 0.436 4.775 4.340 -0.002 0.000 0.257 376 Q C -1.200 174.977 176.000 0.295 0.000 0.975 376 Q CA -0.170 55.729 55.803 0.160 0.000 0.933 376 Q CB 1.076 29.874 28.738 0.100 0.000 1.195 376 Q HN 0.624 nan 8.270 nan 0.000 0.426 377 F N 2.519 122.546 119.950 0.129 0.000 2.653 377 F HA 0.256 4.782 4.527 -0.002 0.000 0.327 377 F C 0.005 175.883 175.800 0.130 0.000 1.195 377 F CA -0.561 57.544 58.000 0.175 0.000 0.993 377 F CB 0.955 40.140 39.000 0.307 0.000 1.259 377 F HN 0.616 nan 8.300 nan 0.000 0.478 378 R N 3.963 124.201 120.500 -0.436 0.000 3.502 378 R HA -0.231 4.108 4.340 -0.002 0.000 0.266 378 R C 1.057 177.062 176.300 -0.491 0.000 1.077 378 R CA 1.048 56.886 56.100 -0.438 0.000 0.718 378 R CB -1.843 28.183 30.300 -0.457 0.000 1.120 378 R HN 1.516 nan 8.270 nan 0.000 0.457 379 G N -2.049 106.557 108.800 -0.323 0.000 2.199 379 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.254 379 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.254 379 G C -0.033 174.682 174.900 -0.308 0.000 0.982 379 G CA 0.571 45.463 45.100 -0.346 0.000 0.632 379 G HN 0.368 nan 8.290 nan 0.000 0.529 380 Y N -0.412 119.933 120.300 0.074 0.000 2.432 380 Y HA 0.651 5.200 4.550 -0.002 0.000 0.322 380 Y C 0.621 176.586 175.900 0.108 0.000 1.246 380 Y CA -1.228 56.931 58.100 0.100 0.000 1.268 380 Y CB 1.600 40.141 38.460 0.136 0.000 1.276 380 Y HN 0.070 nan 8.280 nan 0.000 0.499 381 V N 3.682 123.745 119.914 0.250 0.000 2.409 381 V HA 0.366 4.485 4.120 -0.002 0.000 0.291 381 V C -0.370 175.794 176.094 0.116 0.000 1.020 381 V CA -0.867 61.525 62.300 0.152 0.000 0.848 381 V CB 1.235 33.114 31.823 0.094 0.000 0.990 381 V HN 0.535 nan 8.190 nan 0.000 0.430 382 I N 7.359 127.976 120.570 0.078 0.000 2.307 382 I HA 0.351 4.520 4.170 -0.002 0.000 0.289 382 I C -2.323 173.771 176.117 -0.038 0.000 1.021 382 I CA -1.970 59.333 61.300 0.005 0.000 1.224 382 I CB 1.710 39.689 38.000 -0.036 0.000 1.376 382 I HN 0.395 nan 8.210 nan 0.000 0.470 383 P HA -0.028 nan 4.420 nan 0.000 0.268 383 P C -0.377 176.883 177.300 -0.065 0.000 1.208 383 P CA -0.450 62.630 63.100 -0.035 0.000 0.777 383 P CB 0.510 32.198 31.700 -0.020 0.000 0.875 384 K N 2.759 123.123 120.400 -0.060 0.000 2.530 384 K HA -0.148 4.171 4.320 -0.002 0.000 0.280 384 K C 0.343 176.903 176.600 -0.067 0.000 1.004 384 K CA 0.580 56.825 56.287 -0.070 0.000 1.071 384 K CB -0.376 32.095 32.500 -0.048 0.000 0.876 384 K HN 0.446 nan 8.250 nan 0.000 0.487 385 N N 0.787 119.438 118.700 -0.081 0.000 2.936 385 N HA -0.154 4.585 4.740 -0.002 0.000 0.236 385 N C -0.925 174.545 175.510 -0.067 0.000 0.930 385 N CA 1.494 54.503 53.050 -0.069 0.000 0.966 385 N CB -1.653 36.806 38.487 -0.047 0.000 1.090 385 N HN 0.647 nan 8.380 nan 0.000 0.592 386 T N 2.154 116.660 114.554 -0.081 0.000 2.928 386 T HA 0.120 4.469 4.350 -0.002 0.000 0.305 386 T C 0.757 175.418 174.700 -0.064 0.000 1.035 386 T CA 0.125 62.176 62.100 -0.081 0.000 1.145 386 T CB 0.973 69.782 68.868 -0.098 0.000 0.963 386 T HN 0.062 nan 8.240 nan 0.000 0.545 387 E N 1.270 121.450 120.200 -0.032 0.000 2.366 387 E HA 0.446 4.795 4.350 -0.002 0.000 0.266 387 E C -0.730 175.913 176.600 0.071 0.000 1.051 387 E CA -0.545 55.880 56.400 0.042 0.000 0.884 387 E CB 0.898 30.673 29.700 0.125 0.000 1.006 387 E HN 0.245 nan 8.360 nan 0.000 0.417 388 V N 3.446 123.442 119.914 0.138 0.000 2.623 388 V HA 0.278 4.397 4.120 -0.002 0.000 0.304 388 V C -1.289 174.926 176.094 0.202 0.000 1.054 388 V CA -0.795 61.580 62.300 0.123 0.000 0.882 388 V CB 0.977 32.859 31.823 0.100 0.000 1.002 388 V HN 0.503 nan 8.190 nan 0.000 0.424 389 F N 6.207 126.043 119.950 -0.190 0.000 2.388 389 F HA 0.556 5.082 4.527 -0.002 0.000 0.358 389 F C -2.214 173.472 175.800 -0.190 0.000 1.122 389 F CA -3.119 54.799 58.000 -0.136 0.000 1.056 389 F CB 1.832 40.712 39.000 -0.199 0.000 1.155 389 F HN 0.255 nan 8.300 nan 0.000 0.461 390 P HA 0.145 nan 4.420 nan 0.000 0.286 390 P C -0.343 176.972 177.300 0.025 0.000 1.321 390 P CA -0.185 62.858 63.100 -0.096 0.000 0.790 390 P CB 1.055 32.625 31.700 -0.218 0.000 0.897 391 V N 6.134 126.082 119.914 0.057 0.000 2.229 391 V HA 0.013 4.132 4.120 -0.002 0.000 0.245 391 V C 2.067 178.233 176.094 0.121 0.000 1.243 391 V CA 0.204 62.604 62.300 0.167 0.000 1.176 391 V CB -0.739 31.206 31.823 0.203 0.000 1.323 391 V HN 0.521 nan 8.190 nan 0.000 0.499 392 L N 2.150 123.418 121.223 0.077 0.000 2.129 392 L HA -0.189 4.150 4.340 -0.002 0.000 0.212 392 L C 2.590 179.499 176.870 0.065 0.000 1.087 392 L CA 1.756 56.609 54.840 0.023 0.000 0.757 392 L CB -0.502 41.529 42.059 -0.047 0.000 0.896 392 L HN 0.694 nan 8.230 nan 0.000 0.434 393 S N -0.099 115.680 115.700 0.131 0.000 2.387 393 S HA -0.209 4.260 4.470 -0.002 0.000 0.230 393 S C 2.214 176.996 174.600 0.304 0.000 1.035 393 S CA 1.784 60.121 58.200 0.229 0.000 1.014 393 S CB -0.175 63.179 63.200 0.257 0.000 0.836 393 S HN 0.664 nan 8.310 nan 0.000 0.466 394 S N 0.701 116.538 115.700 0.229 0.000 2.428 394 S HA 0.219 4.688 4.470 -0.002 0.000 0.230 394 S C 1.943 176.673 174.600 0.217 0.000 1.014 394 S CA 0.780 59.115 58.200 0.226 0.000 0.957 394 S CB -0.463 62.850 63.200 0.190 0.000 0.784 394 S HN 0.606 nan 8.310 nan 0.000 0.499 395 A N 2.020 124.944 122.820 0.172 0.000 1.898 395 A HA 0.357 4.676 4.320 -0.002 0.000 0.214 395 A C 2.192 179.929 177.584 0.256 0.000 1.183 395 A CA 0.791 52.936 52.037 0.181 0.000 0.622 395 A CB -0.721 18.335 19.000 0.092 0.000 0.824 395 A HN 0.504 nan 8.150 nan 0.000 0.444 396 L N -1.190 120.104 121.223 0.118 0.000 2.362 396 L HA -0.119 4.220 4.340 -0.002 0.000 0.219 396 L C 1.348 178.043 176.870 -0.291 0.000 1.134 396 L CA 0.981 55.773 54.840 -0.080 0.000 0.807 396 L CB -0.416 41.484 42.059 -0.265 0.000 0.927 396 L HN 0.507 nan 8.230 nan 0.000 0.447 397 H N -2.270 116.895 119.070 0.159 0.000 2.528 397 H HA 0.124 4.679 4.556 -0.002 0.000 0.282 397 H C -0.099 175.380 175.328 0.252 0.000 1.097 397 H CA -0.519 55.625 56.048 0.160 0.000 1.121 397 H CB 0.150 29.978 29.762 0.111 0.000 1.590 397 H HN 0.007 nan 8.280 nan 0.000 0.553 398 D N 2.001 122.659 120.400 0.431 0.000 2.358 398 D HA -0.007 4.632 4.640 -0.002 0.000 0.258 398 D C -1.623 174.817 176.300 0.234 0.000 1.223 398 D CA -2.034 52.159 54.000 0.322 0.000 0.886 398 D CB 1.424 42.452 40.800 0.379 0.000 1.120 398 D HN 0.155 nan 8.370 nan 0.000 0.482 399 P HA -0.044 nan 4.420 nan 0.000 0.233 399 P C 1.276 178.522 177.300 -0.090 0.000 1.167 399 P CA 0.413 63.545 63.100 0.054 0.000 0.770 399 P CB 0.165 31.898 31.700 0.054 0.000 0.837 400 R N -0.626 119.752 120.500 -0.204 0.000 2.105 400 R HA -0.163 4.176 4.340 -0.002 0.000 0.239 400 R C 1.372 177.270 176.300 -0.669 0.000 1.135 400 R CA 1.663 57.470 56.100 -0.488 0.000 0.967 400 R CB -0.480 29.363 30.300 -0.761 0.000 0.861 400 R HN 0.208 nan 8.270 nan 0.000 0.442 401 Y N -2.031 118.059 120.300 -0.350 0.000 2.507 401 Y HA 0.221 4.770 4.550 -0.002 0.000 0.263 401 Y C -0.224 175.044 175.900 -1.054 0.000 1.093 401 Y CA -0.496 57.159 58.100 -0.742 0.000 1.285 401 Y CB 0.759 38.622 38.460 -0.995 0.000 1.115 401 Y HN -0.125 nan 8.280 nan 0.000 0.533 402 F N 0.174 120.042 119.950 -0.136 0.000 2.553 402 F HA 0.285 4.811 4.527 -0.002 0.000 0.335 402 F C 0.974 176.685 175.800 -0.148 0.000 1.148 402 F CA -1.690 56.054 58.000 -0.427 0.000 0.963 402 F CB 1.216 39.820 39.000 -0.661 0.000 1.217 402 F HN -0.118 nan 8.300 nan 0.000 0.441 403 E N 1.528 121.835 120.200 0.177 0.000 2.097 403 E HA -0.177 4.172 4.350 -0.002 0.000 0.196 403 E C 0.505 177.249 176.600 0.240 0.000 1.000 403 E CA 1.655 58.165 56.400 0.183 0.000 0.804 403 E CB 0.274 30.066 29.700 0.153 0.000 0.740 403 E HN 0.569 nan 8.360 nan 0.000 0.454 404 T N -1.704 113.128 114.554 0.462 0.000 3.250 404 T HA 0.334 4.683 4.350 -0.002 0.000 0.391 404 T C -2.386 172.521 174.700 0.345 0.000 1.502 404 T CA -1.850 60.431 62.100 0.301 0.000 1.320 404 T CB 1.392 70.357 68.868 0.162 0.000 1.102 404 T HN -0.096 nan 8.240 nan 0.000 0.610 405 P HA 0.011 nan 4.420 nan 0.000 0.220 405 P C 0.920 178.402 177.300 0.303 0.000 1.148 405 P CA 0.787 64.030 63.100 0.239 0.000 0.803 405 P CB 0.137 31.997 31.700 0.266 0.000 0.782 406 N N -1.454 117.397 118.700 0.253 0.000 2.230 406 N HA 0.065 4.804 4.740 -0.002 0.000 0.202 406 N C -0.176 175.464 175.510 0.216 0.000 1.119 406 N CA 0.498 53.687 53.050 0.231 0.000 0.851 406 N CB 0.266 38.843 38.487 0.152 0.000 0.990 406 N HN 0.092 nan 8.380 nan 0.000 0.497 407 T N 0.652 115.334 114.554 0.214 0.000 2.848 407 T HA 0.240 4.588 4.350 -0.002 0.000 0.285 407 T C -0.550 174.240 174.700 0.149 0.000 0.995 407 T CA -0.598 61.606 62.100 0.172 0.000 0.970 407 T CB 1.426 70.357 68.868 0.106 0.000 0.976 407 T HN -0.014 nan 8.240 nan 0.000 0.441 408 F N 4.491 124.420 119.950 -0.034 0.000 2.538 408 F HA 0.305 4.831 4.527 -0.002 0.000 0.382 408 F C 0.449 176.092 175.800 -0.262 0.000 1.069 408 F CA -0.201 57.715 58.000 -0.140 0.000 1.138 408 F CB 0.009 38.844 39.000 -0.274 0.000 1.068 408 F HN 0.456 nan 8.300 nan 0.000 0.556 409 N N 8.199 126.444 118.700 -0.758 0.000 2.675 409 N HA 0.347 5.086 4.740 -0.002 0.000 0.254 409 N C -2.405 172.685 175.510 -0.700 0.000 1.224 409 N CA -2.138 50.461 53.050 -0.752 0.000 0.777 409 N CB 1.414 39.394 38.487 -0.845 0.000 1.256 409 N HN 0.120 nan 8.380 nan 0.000 0.531 410 P HA -0.011 nan 4.420 nan 0.000 0.221 410 P C 1.283 178.485 177.300 -0.165 0.000 1.145 410 P CA 0.948 63.808 63.100 -0.401 0.000 0.795 410 P CB 0.163 31.566 31.700 -0.495 0.000 0.775 411 G N -1.050 107.627 108.800 -0.206 0.000 2.479 411 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.220 411 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.220 411 G C 1.117 175.956 174.900 -0.102 0.000 1.115 411 G CA 0.606 45.632 45.100 -0.123 0.000 0.757 411 G HN 0.383 nan 8.290 nan 0.000 0.560 412 H N -1.187 117.805 119.070 -0.131 0.000 2.460 412 H HA -0.056 4.499 4.556 -0.002 0.000 0.297 412 H C 0.961 175.945 175.328 -0.572 0.000 1.103 412 H CA 0.920 56.797 56.048 -0.284 0.000 1.292 412 H CB -0.045 29.538 29.762 -0.299 0.000 1.376 412 H HN 0.496 nan 8.280 nan 0.000 0.531 413 F N -0.079 119.878 119.950 0.013 0.000 2.698 413 F HA 0.308 4.833 4.527 -0.002 0.000 0.304 413 F C -0.422 175.299 175.800 -0.131 0.000 1.108 413 F CA -0.119 57.810 58.000 -0.119 0.000 1.263 413 F CB 0.762 39.594 39.000 -0.281 0.000 1.013 413 F HN -0.111 nan 8.300 nan 0.000 0.532 414 L N 0.867 122.104 121.223 0.023 0.000 2.385 414 L HA 0.408 4.747 4.340 -0.002 0.000 0.273 414 L C -0.554 176.315 176.870 -0.003 0.000 0.990 414 L CA -1.060 53.790 54.840 0.017 0.000 0.821 414 L CB 1.770 43.854 42.059 0.042 0.000 1.279 414 L HN 0.000 nan 8.230 nan 0.000 0.412 415 D N 2.002 122.401 120.400 -0.002 0.000 2.511 415 D HA 0.287 4.926 4.640 -0.002 0.000 0.276 415 D C 0.959 177.257 176.300 -0.003 0.000 1.220 415 D CA -0.235 53.760 54.000 -0.009 0.000 1.077 415 D CB 0.985 41.779 40.800 -0.011 0.000 1.126 415 D HN 0.458 nan 8.370 nan 0.000 0.583 416 A N -0.515 122.301 122.820 -0.007 0.000 2.067 416 A HA -0.143 4.176 4.320 -0.002 0.000 0.219 416 A C 1.509 179.091 177.584 -0.003 0.000 1.158 416 A CA 0.845 52.878 52.037 -0.006 0.000 0.661 416 A CB -0.695 18.300 19.000 -0.009 0.000 0.801 416 A HN 0.549 nan 8.150 nan 0.000 0.452 417 N N -0.800 117.899 118.700 -0.001 0.000 2.280 417 N HA 0.129 4.867 4.740 -0.002 0.000 0.192 417 N C 1.033 176.548 175.510 0.008 0.000 1.109 417 N CA 0.894 53.944 53.050 0.001 0.000 0.855 417 N CB 0.479 38.966 38.487 0.000 0.000 0.974 417 N HN 0.583 nan 8.380 nan 0.000 0.482 418 G N 0.517 109.325 108.800 0.014 0.000 2.143 418 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.248 418 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.248 418 G C 0.191 175.112 174.900 0.036 0.000 0.991 418 G CA 0.345 45.465 45.100 0.032 0.000 0.689 418 G HN 0.578 nan 8.290 nan 0.000 0.522 419 A N -0.644 122.187 122.820 0.018 0.000 2.279 419 A HA 0.821 5.140 4.320 -0.002 0.000 0.303 419 A C 0.480 178.064 177.584 0.001 0.000 1.108 419 A CA -0.303 51.740 52.037 0.011 0.000 0.830 419 A CB 0.953 19.954 19.000 0.002 0.000 1.106 419 A HN 1.485 nan 8.150 nan 0.000 0.493 420 L N 1.277 122.490 121.223 -0.015 0.000 2.490 420 L HA 0.296 4.635 4.340 -0.002 0.000 0.274 420 L C 0.502 177.347 176.870 -0.041 0.000 1.201 420 L CA 0.790 55.601 54.840 -0.049 0.000 0.869 420 L CB 0.147 42.151 42.059 -0.092 0.000 1.123 420 L HN 0.730 nan 8.230 nan 0.000 0.484 421 K N 4.809 125.189 120.400 -0.035 0.000 2.371 421 K HA 0.617 4.936 4.320 -0.002 0.000 0.251 421 K C -0.764 175.833 176.600 -0.005 0.000 0.934 421 K CA -0.930 55.343 56.287 -0.024 0.000 0.798 421 K CB 1.645 34.129 32.500 -0.028 0.000 1.204 421 K HN 0.494 nan 8.250 nan 0.000 0.427 422 R N 1.344 121.849 120.500 0.008 0.000 2.528 422 R HA 0.274 4.613 4.340 -0.002 0.000 0.271 422 R C -0.576 175.745 176.300 0.034 0.000 1.056 422 R CA -0.737 55.397 56.100 0.055 0.000 1.117 422 R CB 0.877 31.212 30.300 0.058 0.000 1.085 422 R HN 0.664 nan 8.270 nan 0.000 0.530 423 N N 0.770 119.517 118.700 0.079 0.000 2.478 423 N HA 0.030 4.768 4.740 -0.002 0.000 0.291 423 N C -0.323 175.130 175.510 -0.094 0.000 1.090 423 N CA -0.190 52.838 53.050 -0.037 0.000 0.911 423 N CB 1.809 40.269 38.487 -0.046 0.000 1.546 423 N HN 0.432 nan 8.380 nan 0.000 0.500 424 E N 1.831 121.816 120.200 -0.359 0.000 2.209 424 E HA -0.021 4.327 4.350 -0.002 0.000 0.196 424 E C 1.584 177.852 176.600 -0.552 0.000 0.993 424 E CA 1.430 57.547 56.400 -0.472 0.000 0.819 424 E CB -0.167 29.172 29.700 -0.601 0.000 0.745 424 E HN 0.782 nan 8.360 nan 0.000 0.477 425 G N -0.679 107.642 108.800 -0.798 0.000 2.534 425 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.217 425 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.217 425 G C 0.140 175.209 174.900 0.282 0.000 1.128 425 G CA -0.336 44.613 45.100 -0.251 0.000 0.784 425 G HN 0.214 nan 8.290 nan 0.000 0.542 426 F N 2.524 122.597 119.950 0.205 0.000 2.464 426 F HA 0.493 5.019 4.527 -0.001 0.000 0.353 426 F C 0.822 176.721 175.800 0.164 0.000 1.191 426 F CA -1.187 57.012 58.000 0.331 0.000 1.147 426 F CB 0.385 39.702 39.000 0.528 0.000 1.294 426 F HN 0.091 nan 8.300 nan 0.000 0.583 427 M N 6.494 125.930 119.600 -0.274 0.000 3.404 427 M HA 0.343 4.822 4.480 -0.002 0.000 0.398 427 M C -2.527 173.550 176.300 -0.372 0.000 1.599 427 M CA -1.240 53.904 55.300 -0.260 0.000 0.696 427 M CB 0.728 33.270 32.600 -0.097 0.000 1.427 427 M HN 0.084 nan 8.290 nan 0.000 0.502 428 P HA 0.009 nan 4.420 nan 0.000 0.229 428 P C 0.341 177.257 177.300 -0.639 0.000 1.160 428 P CA 0.997 63.694 63.100 -0.671 0.000 0.777 428 P CB -0.057 31.083 31.700 -0.934 0.000 0.814 429 F N -0.562 119.245 119.950 -0.239 0.000 2.641 429 F HA 0.300 4.826 4.527 -0.002 0.000 0.302 429 F C 1.437 177.180 175.800 -0.096 0.000 1.098 429 F CA 0.019 57.937 58.000 -0.137 0.000 1.318 429 F CB -0.380 38.557 39.000 -0.106 0.000 1.035 429 F HN -0.113 nan 8.300 nan 0.000 0.551 430 S N -0.036 115.665 115.700 0.001 0.000 3.683 430 S HA -0.146 4.323 4.470 -0.002 0.000 0.636 430 S C -0.756 173.862 174.600 0.031 0.000 2.235 430 S CA 0.164 58.365 58.200 0.003 0.000 2.445 430 S CB -0.816 62.405 63.200 0.035 0.000 0.330 430 S HN 0.212 nan 8.310 nan 0.000 1.763 431 L N 0.308 121.548 121.223 0.028 0.000 2.491 431 L HA 0.713 5.052 4.340 -0.002 0.000 0.254 431 L C 0.708 177.615 176.870 0.061 0.000 1.048 431 L CA -0.151 54.709 54.840 0.034 0.000 0.855 431 L CB 1.582 43.639 42.059 -0.003 0.000 1.466 431 L HN 1.690 nan 8.230 nan 0.000 0.409 432 G N 0.482 109.323 108.800 0.069 0.000 2.568 432 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.222 432 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.222 432 G C 0.135 175.120 174.900 0.141 0.000 1.321 432 G CA 0.198 45.356 45.100 0.097 0.000 0.893 432 G HN 0.657 nan 8.290 nan 0.000 0.569 433 K N 0.014 120.528 120.400 0.190 0.000 2.283 433 K HA 0.029 4.348 4.320 -0.002 0.000 0.202 433 K C 2.229 179.048 176.600 0.366 0.000 1.048 433 K CA 1.000 57.457 56.287 0.285 0.000 0.948 433 K CB -0.061 32.670 32.500 0.386 0.000 0.742 433 K HN 0.233 nan 8.250 nan 0.000 0.458 434 R N 0.879 121.512 120.500 0.222 0.000 2.359 434 R HA 0.184 4.523 4.340 -0.002 0.000 0.231 434 R C 0.768 177.137 176.300 0.116 0.000 0.913 434 R CA -0.206 55.964 56.100 0.117 0.000 1.075 434 R CB -0.466 29.726 30.300 -0.181 0.000 1.087 434 R HN 0.252 nan 8.270 nan 0.000 0.515 435 I N 1.144 121.794 120.570 0.134 0.000 3.055 435 I HA -0.213 3.956 4.170 -0.002 0.000 0.308 435 I C 0.683 176.854 176.117 0.090 0.000 1.224 435 I CA 0.262 61.624 61.300 0.103 0.000 1.443 435 I CB 0.632 38.683 38.000 0.085 0.000 1.318 435 I HN 0.177 nan 8.210 nan 0.000 0.577 436 C N 7.915 127.273 119.300 0.096 0.000 2.298 436 C HA -0.067 4.392 4.460 -0.002 0.000 0.395 436 C C 1.765 176.771 174.990 0.026 0.000 1.526 436 C CA 0.141 59.209 59.018 0.082 0.000 1.458 436 C CB -1.298 26.553 27.740 0.186 0.000 2.506 436 C HN 0.922 nan 8.230 nan 0.000 0.604 437 L N 5.229 126.475 121.223 0.039 0.000 2.191 437 L HA 0.101 4.440 4.340 -0.002 0.000 0.212 437 L C 2.101 178.963 176.870 -0.014 0.000 1.103 437 L CA 1.884 56.741 54.840 0.028 0.000 0.769 437 L CB -0.241 41.854 42.059 0.059 0.000 0.908 437 L HN 0.952 nan 8.230 nan 0.000 0.438 438 G N -1.391 107.394 108.800 -0.025 0.000 3.434 438 G HA2 -0.046 3.913 3.960 -0.002 0.000 0.258 438 G HA3 -0.046 3.913 3.960 -0.002 0.000 0.258 438 G C 1.059 175.878 174.900 -0.136 0.000 1.128 438 G CA 0.079 45.148 45.100 -0.051 0.000 0.792 438 G HN 0.438 nan 8.290 nan 0.000 0.539 439 E N 0.560 120.605 120.200 -0.258 0.000 2.070 439 E HA -0.131 4.218 4.350 -0.002 0.000 0.197 439 E C 2.492 178.826 176.600 -0.444 0.000 1.004 439 E CA 1.426 57.445 56.400 -0.635 0.000 0.805 439 E CB -0.390 28.878 29.700 -0.721 0.000 0.744 439 E HN 0.289 nan 8.360 nan 0.000 0.451 440 G N 1.289 109.940 108.800 -0.249 0.000 2.446 440 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.217 440 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.217 440 G C 1.626 176.458 174.900 -0.114 0.000 1.168 440 G CA 1.127 46.131 45.100 -0.160 0.000 0.771 440 G HN 0.289 nan 8.290 nan 0.000 0.551 441 I N 1.464 121.980 120.570 -0.090 0.000 2.127 441 I HA -0.217 3.952 4.170 -0.002 0.000 0.241 441 I C 3.340 179.438 176.117 -0.031 0.000 1.075 441 I CA 1.107 62.377 61.300 -0.051 0.000 1.334 441 I CB -0.343 37.638 38.000 -0.032 0.000 1.040 441 I HN 0.251 nan 8.210 nan 0.000 0.405 442 A N 0.813 123.617 122.820 -0.027 0.000 1.908 442 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 442 A C 2.422 180.042 177.584 0.061 0.000 1.181 442 A CA 1.485 53.554 52.037 0.054 0.000 0.627 442 A CB -0.552 18.538 19.000 0.150 0.000 0.818 442 A HN 0.294 nan 8.150 nan 0.000 0.445 443 R N -0.821 119.669 120.500 -0.017 0.000 2.081 443 R HA -0.098 4.240 4.340 -0.002 0.000 0.235 443 R C 2.246 178.576 176.300 0.051 0.000 1.131 443 R CA 1.876 57.990 56.100 0.022 0.000 0.960 443 R CB -1.181 29.082 30.300 -0.063 0.000 0.856 443 R HN 0.586 nan 8.270 nan 0.000 0.436 444 T N 1.144 115.697 114.554 -0.001 0.000 2.708 444 T HA -0.121 4.228 4.350 -0.002 0.000 0.266 444 T C 1.694 176.360 174.700 -0.056 0.000 1.037 444 T CA 1.261 63.360 62.100 -0.002 0.000 1.146 444 T CB -0.091 68.750 68.868 -0.045 0.000 0.865 444 T HN 0.385 nan 8.240 nan 0.000 0.435 445 E N 0.820 120.959 120.200 -0.102 0.000 2.038 445 E HA -0.090 4.259 4.350 -0.002 0.000 0.195 445 E C 2.302 178.826 176.600 -0.128 0.000 1.000 445 E CA 1.008 57.266 56.400 -0.236 0.000 0.803 445 E CB -0.354 29.362 29.700 0.027 0.000 0.750 445 E HN 0.413 nan 8.360 nan 0.000 0.448 446 L N 0.103 121.338 121.223 0.020 0.000 2.012 446 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 446 L C 2.527 179.481 176.870 0.140 0.000 1.073 446 L CA 1.196 56.049 54.840 0.021 0.000 0.748 446 L CB -0.541 41.637 42.059 0.199 0.000 0.891 446 L HN 0.134 nan 8.230 nan 0.000 0.431 447 F N 0.744 120.735 119.950 0.069 0.000 2.075 447 F HA -0.215 4.310 4.527 -0.002 0.000 0.297 447 F C 2.232 178.073 175.800 0.069 0.000 1.113 447 F CA 1.614 59.677 58.000 0.105 0.000 1.218 447 F CB -0.191 38.840 39.000 0.051 0.000 0.984 447 F HN -0.143 nan 8.300 nan 0.000 0.472 448 L N -1.335 119.834 121.223 -0.091 0.000 2.109 448 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 448 L C 2.383 179.159 176.870 -0.156 0.000 1.086 448 L CA 0.675 55.388 54.840 -0.212 0.000 0.760 448 L CB -0.745 41.188 42.059 -0.211 0.000 0.910 448 L HN 0.099 nan 8.230 nan 0.000 0.437 449 F N -0.329 119.568 119.950 -0.088 0.000 2.084 449 F HA -0.126 4.400 4.527 -0.002 0.000 0.296 449 F C 2.315 178.106 175.800 -0.016 0.000 1.111 449 F CA 1.071 59.005 58.000 -0.110 0.000 1.224 449 F CB -1.124 37.724 39.000 -0.253 0.000 0.991 449 F HN -0.114 nan 8.300 nan 0.000 0.471 450 F N 0.537 120.590 119.950 0.172 0.000 2.065 450 F HA -0.301 4.225 4.527 -0.001 0.000 0.298 450 F C 2.737 178.567 175.800 0.050 0.000 1.112 450 F CA 1.759 59.821 58.000 0.103 0.000 1.212 450 F CB -0.923 38.049 39.000 -0.047 0.000 0.975 450 F HN 0.040 nan 8.300 nan 0.000 0.476 451 T N -3.746 110.829 114.554 0.036 0.000 2.857 451 T HA -0.116 4.233 4.350 -0.002 0.000 0.266 451 T C 1.728 176.446 174.700 0.030 0.000 1.048 451 T CA 1.591 63.642 62.100 -0.083 0.000 1.139 451 T CB -0.905 67.696 68.868 -0.444 0.000 0.874 451 T HN 0.137 nan 8.240 nan 0.000 0.455 452 T N 2.238 116.826 114.554 0.055 0.000 2.821 452 T HA 0.141 4.490 4.350 -0.002 0.000 0.267 452 T C 1.925 176.745 174.700 0.200 0.000 1.046 452 T CA 1.129 63.296 62.100 0.113 0.000 1.139 452 T CB -0.423 68.520 68.868 0.125 0.000 0.871 452 T HN 0.380 nan 8.240 nan 0.000 0.454 453 I N 0.727 121.471 120.570 0.289 0.000 2.142 453 I HA -0.123 4.046 4.170 -0.002 0.000 0.240 453 I C 2.234 178.627 176.117 0.460 0.000 1.078 453 I CA 1.353 62.892 61.300 0.398 0.000 1.343 453 I CB -0.367 37.885 38.000 0.420 0.000 1.046 453 I HN 0.178 nan 8.210 nan 0.000 0.405 454 L N 0.126 121.592 121.223 0.405 0.000 2.217 454 L HA -0.188 4.151 4.340 -0.002 0.000 0.211 454 L C 2.629 179.612 176.870 0.188 0.000 1.107 454 L CA 0.890 55.927 54.840 0.329 0.000 0.783 454 L CB -0.510 41.708 42.059 0.265 0.000 0.919 454 L HN 0.379 nan 8.230 nan 0.000 0.442 455 Q N 0.309 120.185 119.800 0.128 0.000 2.124 455 Q HA -0.198 4.140 4.340 -0.002 0.000 0.202 455 Q C 1.609 177.599 176.000 -0.016 0.000 0.977 455 Q CA 1.462 57.294 55.803 0.049 0.000 0.850 455 Q CB 0.177 28.934 28.738 0.033 0.000 0.901 455 Q HN 0.561 nan 8.270 nan 0.000 0.429 456 N N -1.382 117.287 118.700 -0.052 0.000 2.368 456 N HA 0.088 4.827 4.740 -0.002 0.000 0.178 456 N C -0.720 174.387 175.510 -0.672 0.000 1.076 456 N CA 0.355 53.180 53.050 -0.374 0.000 0.889 456 N CB 0.677 38.873 38.487 -0.486 0.000 1.040 456 N HN 0.023 nan 8.380 nan 0.000 0.463 457 F N 0.174 120.191 119.950 0.111 0.000 2.569 457 F HA 0.374 4.900 4.527 -0.002 0.000 0.312 457 F C 0.325 176.229 175.800 0.174 0.000 1.109 457 F CA -0.770 57.319 58.000 0.148 0.000 0.919 457 F CB 1.745 40.903 39.000 0.264 0.000 1.211 457 F HN -0.368 nan 8.300 nan 0.000 0.446 458 S N 2.731 118.609 115.700 0.297 0.000 2.693 458 S HA 0.784 5.253 4.470 -0.002 0.000 0.276 458 S C -0.457 174.270 174.600 0.211 0.000 1.192 458 S CA -0.645 57.689 58.200 0.223 0.000 0.994 458 S CB 1.116 64.388 63.200 0.120 0.000 1.012 458 S HN 0.525 nan 8.310 nan 0.000 0.550 459 I N -1.428 119.216 120.570 0.124 0.000 2.785 459 I HA 0.991 5.160 4.170 -0.002 0.000 0.302 459 I C -0.608 175.487 176.117 -0.037 0.000 1.069 459 I CA -1.147 60.153 61.300 -0.001 0.000 1.045 459 I CB 1.926 39.931 38.000 0.008 0.000 1.236 459 I HN 0.654 nan 8.210 nan 0.000 0.429 460 A N 2.843 125.602 122.820 -0.102 0.000 2.609 460 A HA 0.910 5.229 4.320 -0.002 0.000 0.291 460 A C -0.812 176.708 177.584 -0.106 0.000 1.096 460 A CA -0.037 51.952 52.037 -0.081 0.000 0.684 460 A CB 1.684 20.652 19.000 -0.053 0.000 1.282 460 A HN 1.275 nan 8.150 nan 0.000 0.412 461 S N -0.462 115.189 115.700 -0.082 0.000 2.615 461 S HA 0.723 5.192 4.470 -0.002 0.000 0.269 461 S C -2.673 171.893 174.600 -0.056 0.000 1.161 461 S CA -0.649 57.509 58.200 -0.070 0.000 0.817 461 S CB 1.013 64.183 63.200 -0.051 0.000 1.131 461 S HN 0.292 nan 8.310 nan 0.000 0.467 462 P HA 0.144 nan 4.420 nan 0.000 0.226 462 P C -0.281 176.994 177.300 -0.042 0.000 1.153 462 P CA 0.554 63.630 63.100 -0.040 0.000 0.777 462 P CB -0.057 31.623 31.700 -0.033 0.000 0.794 463 V N 1.746 121.631 119.914 -0.049 0.000 2.383 463 V HA 0.250 4.369 4.120 -0.002 0.000 0.275 463 V C -2.181 173.866 176.094 -0.078 0.000 1.036 463 V CA -2.173 60.093 62.300 -0.058 0.000 0.889 463 V CB 0.870 32.657 31.823 -0.059 0.000 0.985 463 V HN -0.058 nan 8.190 nan 0.000 0.459 464 P HA 0.151 nan 4.420 nan 0.000 0.266 464 P C -2.065 175.164 177.300 -0.118 0.000 1.195 464 P CA -1.091 61.958 63.100 -0.084 0.000 0.768 464 P CB 0.145 31.805 31.700 -0.065 0.000 0.838 465 P HA -0.260 nan 4.420 nan 0.000 0.216 465 P C 1.339 178.512 177.300 -0.212 0.000 1.157 465 P CA 1.769 64.739 63.100 -0.217 0.000 0.880 465 P CB -0.240 31.322 31.700 -0.229 0.000 0.791 466 E N -1.030 119.081 120.200 -0.148 0.000 2.268 466 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 466 E C 0.894 177.436 176.600 -0.096 0.000 0.995 466 E CA 1.127 57.459 56.400 -0.114 0.000 0.836 466 E CB -0.774 28.885 29.700 -0.068 0.000 0.763 466 E HN 0.226 nan 8.360 nan 0.000 0.491 467 D N 0.743 121.087 120.400 -0.095 0.000 2.349 467 D HA 0.133 4.772 4.640 -0.002 0.000 0.215 467 D C 0.429 176.676 176.300 -0.088 0.000 1.016 467 D CA 0.156 54.112 54.000 -0.074 0.000 0.870 467 D CB 0.145 40.910 40.800 -0.059 0.000 0.917 467 D HN 0.257 nan 8.370 nan 0.000 0.524 468 I N 1.585 122.075 120.570 -0.134 0.000 2.533 468 I HA -0.039 4.130 4.170 -0.002 0.000 0.284 468 I C 0.392 176.434 176.117 -0.126 0.000 1.109 468 I CA 0.058 61.265 61.300 -0.154 0.000 1.412 468 I CB 0.524 38.381 38.000 -0.240 0.000 1.396 468 I HN -0.265 nan 8.210 nan 0.000 0.543 469 D N 6.732 127.083 120.400 -0.081 0.000 2.303 469 D HA 0.277 4.916 4.640 -0.002 0.000 0.236 469 D C 0.505 176.797 176.300 -0.015 0.000 1.068 469 D CA -0.303 53.676 54.000 -0.035 0.000 0.830 469 D CB 1.477 42.273 40.800 -0.008 0.000 1.109 469 D HN 0.375 nan 8.370 nan 0.000 0.496 470 L N 2.083 123.317 121.223 0.018 0.000 2.558 470 L HA 0.088 4.426 4.340 -0.002 0.000 0.225 470 L C 0.882 177.843 176.870 0.150 0.000 1.128 470 L CA 0.259 55.153 54.840 0.090 0.000 0.868 470 L CB -0.172 41.963 42.059 0.126 0.000 1.006 470 L HN 0.312 nan 8.230 nan 0.000 0.454 471 T N 2.083 116.696 114.554 0.098 0.000 2.871 471 T HA 0.072 4.421 4.350 -0.002 0.000 0.296 471 T C -1.903 172.852 174.700 0.091 0.000 0.998 471 T CA -0.731 61.421 62.100 0.088 0.000 1.162 471 T CB 0.391 69.295 68.868 0.060 0.000 0.947 471 T HN -0.007 nan 8.240 nan 0.000 0.536 476 G N 0.888 109.791 108.800 0.172 0.000 3.354 476 G HA2 0.617 4.576 3.960 -0.002 0.000 0.174 476 G HA3 0.617 4.576 3.960 -0.002 0.000 0.174 476 G C 1.075 176.050 174.900 0.126 0.000 1.140 476 G CA 0.247 45.522 45.100 0.292 0.000 0.897 476 G HN 1.674 nan 8.290 nan 0.000 0.685 477 V N -0.564 119.398 119.914 0.080 0.000 2.370 477 V HA 0.186 4.305 4.120 -0.002 0.000 0.252 477 V C 1.201 177.120 176.094 -0.292 0.000 1.068 477 V CA 1.753 63.873 62.300 -0.299 0.000 1.061 477 V CB -1.309 30.512 31.823 -0.004 0.000 0.656 477 V HN 1.017 nan 8.190 nan 0.000 0.455 478 G N -0.423 108.311 108.800 -0.111 0.000 2.448 478 G HA2 0.569 4.528 3.960 -0.002 0.000 0.324 478 G HA3 0.569 4.528 3.960 -0.002 0.000 0.324 478 G C -1.134 173.738 174.900 -0.048 0.000 1.203 478 G CA -0.753 44.286 45.100 -0.102 0.000 0.954 478 G HN 0.219 nan 8.290 nan 0.000 0.480 479 N N -0.713 117.947 118.700 -0.066 0.000 2.508 479 N HA 0.560 5.299 4.740 -0.002 0.000 0.285 479 N C -0.306 175.194 175.510 -0.017 0.000 1.144 479 N CA -0.304 52.723 53.050 -0.038 0.000 0.978 479 N CB 1.873 40.311 38.487 -0.081 0.000 1.180 479 N HN 0.485 nan 8.380 nan 0.000 0.484 480 V N 0.354 120.279 119.914 0.018 0.000 2.462 480 V HA 0.559 4.677 4.120 -0.002 0.000 0.288 480 V C -2.454 173.688 176.094 0.079 0.000 1.020 480 V CA -1.727 60.607 62.300 0.056 0.000 0.857 480 V CB 1.358 33.227 31.823 0.077 0.000 1.013 480 V HN 0.532 nan 8.190 nan 0.000 0.431 481 P HA 0.410 nan 4.420 nan 0.000 0.273 481 P C -2.593 174.811 177.300 0.174 0.000 1.250 481 P CA -1.189 62.022 63.100 0.185 0.000 0.793 481 P CB -0.040 31.863 31.700 0.338 0.000 1.011 482 P HA 0.090 nan 4.420 nan 0.000 0.272 482 P C -0.182 177.239 177.300 0.202 0.000 1.223 482 P CA 0.010 63.197 63.100 0.146 0.000 0.784 482 P CB 0.238 32.006 31.700 0.114 0.000 0.923 483 S N 1.353 117.127 115.700 0.123 0.000 2.568 483 S HA 0.337 4.806 4.470 -0.002 0.000 0.282 483 S C -0.088 174.601 174.600 0.149 0.000 1.338 483 S CA 0.218 58.458 58.200 0.067 0.000 1.045 483 S CB -0.475 62.722 63.200 -0.007 0.000 0.873 483 S HN 0.550 nan 8.310 nan 0.000 0.516 484 Y N -0.844 119.429 120.300 -0.045 0.000 2.638 484 Y HA 0.606 5.155 4.550 -0.002 0.000 0.335 484 Y C -0.995 174.848 175.900 -0.093 0.000 1.155 484 Y CA -1.383 56.680 58.100 -0.062 0.000 1.046 484 Y CB 0.731 39.158 38.460 -0.055 0.000 1.303 484 Y HN 0.489 nan 8.280 nan 0.000 0.460 485 Q N 2.473 122.285 119.800 0.020 0.000 2.226 485 Q HA 0.742 5.081 4.340 -0.002 0.000 0.256 485 Q C -1.389 174.604 176.000 -0.011 0.000 0.962 485 Q CA -1.080 54.668 55.803 -0.092 0.000 0.887 485 Q CB 3.152 31.844 28.738 -0.076 0.000 1.282 485 Q HN 0.793 nan 8.270 nan 0.000 0.449 486 I N 0.021 120.499 120.570 -0.154 0.000 2.913 486 I HA 0.419 4.588 4.170 -0.002 0.000 0.302 486 I C -1.581 174.331 176.117 -0.341 0.000 1.246 486 I CA -0.794 60.364 61.300 -0.236 0.000 1.010 486 I CB 2.103 39.917 38.000 -0.310 0.000 1.259 486 I HN 0.556 nan 8.210 nan 0.000 0.434 487 R N 5.613 125.899 120.500 -0.356 0.000 2.445 487 R HA 0.477 4.816 4.340 -0.002 0.000 0.308 487 R C -1.753 174.286 176.300 -0.434 0.000 0.961 487 R CA -0.555 55.371 56.100 -0.290 0.000 0.862 487 R CB 1.558 31.777 30.300 -0.134 0.000 1.144 487 R HN 0.338 nan 8.270 nan 0.000 0.447 488 F N 3.396 123.248 119.950 -0.163 0.000 2.350 488 F HA 0.248 4.774 4.527 -0.002 0.000 0.365 488 F C -0.196 175.626 175.800 0.037 0.000 1.122 488 F CA -0.801 57.080 58.000 -0.199 0.000 1.139 488 F CB 0.830 39.406 39.000 -0.706 0.000 1.220 488 F HN 0.113 nan 8.300 nan 0.000 0.499 489 L N 3.927 125.357 121.223 0.345 0.000 2.264 489 L HA 0.472 4.811 4.340 -0.002 0.000 0.287 489 L C 0.504 177.568 176.870 0.323 0.000 1.039 489 L CA -1.109 53.892 54.840 0.268 0.000 0.829 489 L CB 0.389 42.520 42.059 0.121 0.000 1.211 489 L HN 0.659 nan 8.230 nan 0.000 0.427 490 A N 5.648 128.619 122.820 0.253 0.000 2.548 490 A HA 0.256 4.575 4.320 -0.002 0.000 0.247 490 A C 0.636 177.983 177.584 -0.394 0.000 1.067 490 A CA 0.038 51.985 52.037 -0.151 0.000 0.757 490 A CB -0.093 18.820 19.000 -0.144 0.000 0.996 490 A HN 0.707 nan 8.150 nan 0.000 0.504 491 R N 1.873 122.112 120.500 -0.434 0.000 2.500 491 R HA 0.731 5.070 4.340 -0.002 0.000 0.277 491 R C 0.067 176.103 176.300 -0.439 0.000 1.026 491 R CA -0.142 55.764 56.100 -0.324 0.000 1.058 491 R CB 0.958 31.168 30.300 -0.149 0.000 1.078 491 R HN 1.124 nan 8.270 nan 0.000 0.509 492 H N 0.000 119.053 119.070 -0.029 0.000 2.539 492 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 492 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 492 H CB 0.000 29.742 29.762 -0.034 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496