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 2wdw_1_A DATA FIRST_RESID 26 DATA SEQUENCE CLPPAGPVKV TPDDPRYLNL KLRGANSRFN GEPDYIHLVG STQQVADAVE DATA SEQUENCE ETVRTGKRVA VRSGGHCFED FVDNPDVKVI IDMSLLTEIA YDPSMNAFLI DATA SEQUENCE EPGNTLSEVY EKLYLGWNVT IPGGVCGGVG VGGHICGGGY GPLSRQFGSV DATA SEQUENCE VDYLYAVEVV VVNKQGKARV IVATRERDDP HHDLWWAHTG GGGGNFGVVT DATA SEQUENCE KYWMRVPEDV GRNPERLLPK PPATLLTSTV TFDWAGMTEA AFSRLLRNHG DATA SEQUENCE EWYERNSGPD SPYTGLWSQL MIGNEVPGMG ESGFMMPIQV DATRPDARRL DATA SEQUENCE LDAHIEAVID GVPPAEVPEP IEQRWLASTP GRGGRGPASK TKAGYLRKRL DATA SEQUENCE TDRQIQAVYE NMTHMDGIDY GAVWLIGYGG KVNTVDPAAT ALPQRDAILK DATA SEQUENCE VNYITGWANP GNEAKHLTWV RKLYADVYAE TGGVPVPNDV SDGAYINYPD DATA SEQUENCE SDLADPGLNT SGVPWHDLYY KGNHPRLRKV KAAYDPRNHF HHALSIRP 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 26 C HA 0.000 nan 4.460 nan 0.000 0.325 26 C C 0.000 175.002 174.990 0.021 0.000 1.270 26 C CA 0.000 59.032 59.018 0.023 0.000 1.963 26 C CB 0.000 27.754 27.740 0.023 0.000 2.134 27 L N 5.555 126.791 121.223 0.022 0.000 2.341 27 L HA 0.710 5.035 4.340 -0.025 0.000 0.267 27 L C -1.926 174.957 176.870 0.021 0.000 1.009 27 L CA -1.413 53.438 54.840 0.020 0.000 0.819 27 L CB 1.709 43.780 42.059 0.020 0.000 1.323 27 L HN 0.514 nan 8.230 nan 0.000 0.425 28 P HA 0.246 nan 4.420 nan 0.000 0.271 28 P C -2.431 174.882 177.300 0.021 0.000 1.218 28 P CA -0.768 62.343 63.100 0.020 0.000 0.780 28 P CB -0.319 31.392 31.700 0.018 0.000 0.901 29 P HA 0.202 nan 4.420 nan 0.000 0.274 29 P C -0.906 176.409 177.300 0.025 0.000 1.246 29 P CA -0.523 62.592 63.100 0.024 0.000 0.795 29 P CB 0.481 32.196 31.700 0.025 0.000 1.006 30 A N 1.690 124.525 122.820 0.026 0.000 2.522 30 A HA 0.432 4.737 4.320 -0.025 0.000 0.256 30 A C 1.144 178.747 177.584 0.032 0.000 1.086 30 A CA 0.299 52.351 52.037 0.026 0.000 0.763 30 A CB -0.966 18.050 19.000 0.026 0.000 1.024 30 A HN 0.686 nan 8.150 nan 0.000 0.502 31 G N 2.903 111.720 108.800 0.028 0.000 2.699 31 G HA2 0.421 4.366 3.960 -0.025 0.000 0.246 31 G HA3 0.421 4.366 3.960 -0.025 0.000 0.246 31 G C -2.257 172.668 174.900 0.043 0.000 1.219 31 G CA -0.837 44.283 45.100 0.034 0.000 0.866 31 G HN 0.641 nan 8.290 nan 0.000 0.572 32 P HA 0.207 nan 4.420 nan 0.000 0.271 32 P C -0.605 176.690 177.300 -0.009 0.000 1.220 32 P CA -0.024 63.127 63.100 0.085 0.000 0.768 32 P CB 1.532 33.335 31.700 0.171 0.000 0.848 33 V N 4.115 123.995 119.914 -0.057 0.000 2.483 33 V HA 0.318 4.423 4.120 -0.025 0.000 0.297 33 V C -0.241 175.713 176.094 -0.233 0.000 1.027 33 V CA -0.927 61.307 62.300 -0.110 0.000 0.855 33 V CB 1.357 33.157 31.823 -0.038 0.000 0.995 33 V HN 0.468 nan 8.190 nan 0.000 0.424 34 K N 6.150 126.370 120.400 -0.299 0.000 2.250 34 K HA 0.459 4.764 4.320 -0.025 0.000 0.280 34 K C -0.979 175.557 176.600 -0.107 0.000 1.098 34 K CA -0.489 55.594 56.287 -0.339 0.000 0.916 34 K CB 1.043 33.259 32.500 -0.472 0.000 1.209 34 K HN 0.650 nan 8.250 nan 0.000 0.461 35 V N 5.327 125.260 119.914 0.033 0.000 2.338 35 V HA 0.038 4.144 4.120 -0.025 0.000 0.255 35 V C 0.670 176.881 176.094 0.196 0.000 1.082 35 V CA -0.591 61.776 62.300 0.112 0.000 0.951 35 V CB 0.073 31.985 31.823 0.149 0.000 1.102 35 V HN 0.863 nan 8.190 nan 0.000 0.489 36 T N 3.490 118.087 114.554 0.072 0.000 2.816 36 T HA 0.291 4.626 4.350 -0.025 0.000 0.282 36 T C -1.614 172.941 174.700 -0.240 0.000 0.993 36 T CA -1.747 60.343 62.100 -0.017 0.000 0.994 36 T CB 1.206 70.040 68.868 -0.055 0.000 1.025 36 T HN 0.339 nan 8.240 nan 0.000 0.529 37 P HA -0.117 nan 4.420 nan 0.000 0.218 37 P C 1.278 178.333 177.300 -0.407 0.000 1.148 37 P CA 1.132 63.602 63.100 -1.049 0.000 0.822 37 P CB -0.050 31.220 31.700 -0.717 0.000 0.784 38 D N -1.717 118.557 120.400 -0.210 0.000 2.277 38 D HA -0.092 4.533 4.640 -0.025 0.000 0.208 38 D C 0.608 176.884 176.300 -0.040 0.000 0.962 38 D CA 0.464 54.407 54.000 -0.095 0.000 0.865 38 D CB -0.879 39.879 40.800 -0.070 0.000 0.939 38 D HN 0.161 nan 8.370 nan 0.000 0.510 39 D N 2.136 122.519 120.400 -0.028 0.000 2.425 39 D HA -0.006 4.620 4.640 -0.025 0.000 0.247 39 D C -1.190 175.150 176.300 0.067 0.000 1.147 39 D CA -1.395 52.618 54.000 0.022 0.000 0.879 39 D CB 2.146 42.967 40.800 0.035 0.000 1.179 39 D HN -0.052 nan 8.370 nan 0.000 0.456 40 P HA -0.116 nan 4.420 nan 0.000 0.221 40 P C 0.985 178.332 177.300 0.078 0.000 1.145 40 P CA 0.875 64.010 63.100 0.059 0.000 0.795 40 P CB 0.303 32.024 31.700 0.035 0.000 0.775 41 R N -1.879 118.671 120.500 0.083 0.000 2.193 41 R HA -0.094 4.231 4.340 -0.025 0.000 0.213 41 R C 2.419 178.779 176.300 0.100 0.000 1.055 41 R CA 0.510 56.654 56.100 0.074 0.000 0.995 41 R CB -0.942 29.393 30.300 0.058 0.000 0.893 41 R HN 0.162 nan 8.270 nan 0.000 0.459 42 Y N 1.807 122.116 120.300 0.015 0.000 2.002 42 Y HA -0.330 4.205 4.550 -0.025 0.000 0.268 42 Y C 1.829 177.739 175.900 0.016 0.000 1.177 42 Y CA 1.874 59.987 58.100 0.021 0.000 1.111 42 Y CB -0.447 38.027 38.460 0.024 0.000 0.952 42 Y HN -0.058 nan 8.280 nan 0.000 0.491 43 L N 0.241 121.486 121.223 0.036 0.000 2.127 43 L HA -0.275 4.050 4.340 -0.025 0.000 0.211 43 L C 2.208 179.020 176.870 -0.098 0.000 1.089 43 L CA 1.418 56.219 54.840 -0.065 0.000 0.757 43 L CB -0.675 41.416 42.059 0.052 0.000 0.899 43 L HN 0.299 nan 8.230 nan 0.000 0.434 44 N N -0.414 118.255 118.700 -0.052 0.000 2.084 44 N HA -0.127 4.599 4.740 -0.025 0.000 0.190 44 N C 1.704 177.169 175.510 -0.076 0.000 1.030 44 N CA 1.106 54.127 53.050 -0.049 0.000 0.849 44 N CB -0.217 38.259 38.487 -0.018 0.000 1.012 44 N HN 0.121 nan 8.380 nan 0.000 0.423 45 L N 1.288 122.454 121.223 -0.095 0.000 2.217 45 L HA 0.004 4.329 4.340 -0.025 0.000 0.211 45 L C 2.108 178.882 176.870 -0.159 0.000 1.107 45 L CA 1.173 55.953 54.840 -0.100 0.000 0.783 45 L CB -1.003 41.017 42.059 -0.065 0.000 0.919 45 L HN 0.221 nan 8.230 nan 0.000 0.442 46 K N -0.025 120.209 120.400 -0.277 0.000 2.103 46 K HA -0.069 4.236 4.320 -0.025 0.000 0.204 46 K C 1.525 178.028 176.600 -0.162 0.000 1.052 46 K CA 0.878 56.985 56.287 -0.300 0.000 0.945 46 K CB 0.167 32.364 32.500 -0.506 0.000 0.722 46 K HN 0.254 nan 8.250 nan 0.000 0.443 47 L N 1.094 122.238 121.223 -0.130 0.000 2.769 47 L HA 0.197 4.522 4.340 -0.025 0.000 0.240 47 L C 1.411 178.234 176.870 -0.078 0.000 1.163 47 L CA -0.257 54.529 54.840 -0.089 0.000 0.962 47 L CB 0.314 42.327 42.059 -0.077 0.000 1.258 47 L HN 0.078 nan 8.230 nan 0.000 0.513 48 R N 0.098 120.553 120.500 -0.075 0.000 2.319 48 R HA 0.150 4.475 4.340 -0.025 0.000 0.204 48 R C 0.762 177.018 176.300 -0.074 0.000 0.954 48 R CA 0.143 56.205 56.100 -0.064 0.000 1.066 48 R CB -0.255 30.017 30.300 -0.046 0.000 0.991 48 R HN 0.133 nan 8.270 nan 0.000 0.486 49 G N 0.041 108.793 108.800 -0.079 0.000 2.442 49 G HA2 0.346 4.291 3.960 -0.025 0.000 0.249 49 G HA3 0.346 4.291 3.960 -0.025 0.000 0.249 49 G C 0.781 175.586 174.900 -0.159 0.000 1.263 49 G CA -0.113 44.928 45.100 -0.099 0.000 0.846 49 G HN 0.253 nan 8.290 nan 0.000 0.555 50 A N 2.503 125.155 122.820 -0.280 0.000 1.877 50 A HA -0.052 4.253 4.320 -0.025 0.000 0.216 50 A C 1.450 178.895 177.584 -0.232 0.000 1.186 50 A CA 0.994 52.807 52.037 -0.372 0.000 0.620 50 A CB -0.548 17.968 19.000 -0.807 0.000 0.822 50 A HN 0.692 nan 8.150 nan 0.000 0.443 51 N N 0.144 118.746 118.700 -0.163 0.000 2.442 51 N HA 0.211 4.936 4.740 -0.025 0.000 0.265 51 N C 0.804 176.184 175.510 -0.217 0.000 1.138 51 N CA 0.389 53.340 53.050 -0.165 0.000 0.956 51 N CB 0.592 39.059 38.487 -0.034 0.000 1.067 51 N HN 0.315 nan 8.380 nan 0.000 0.474 52 S N 3.074 118.599 115.700 -0.292 0.000 2.631 52 S HA 0.096 4.551 4.470 -0.025 0.000 0.217 52 S C 1.536 175.946 174.600 -0.317 0.000 0.958 52 S CA -0.245 57.804 58.200 -0.252 0.000 0.920 52 S CB 0.126 63.196 63.200 -0.216 0.000 0.776 52 S HN 0.565 nan 8.310 nan 0.000 0.517 53 R N 0.284 120.446 120.500 -0.563 0.000 2.115 53 R HA 0.145 4.470 4.340 -0.025 0.000 0.230 53 R C -0.558 175.416 176.300 -0.543 0.000 1.111 53 R CA 0.775 56.471 56.100 -0.673 0.000 0.976 53 R CB -0.055 29.549 30.300 -1.159 0.000 0.870 53 R HN 0.512 nan 8.270 nan 0.000 0.445 54 F N 0.352 120.281 119.950 -0.036 0.000 2.427 54 F HA 0.321 4.833 4.527 -0.025 0.000 0.346 54 F C -0.354 175.422 175.800 -0.039 0.000 1.120 54 F CA -1.097 56.883 58.000 -0.033 0.000 1.033 54 F CB 1.282 40.250 39.000 -0.053 0.000 1.126 54 F HN -0.251 nan 8.300 nan 0.000 0.462 55 N N 1.511 120.294 118.700 0.139 0.000 2.531 55 N HA 0.434 5.159 4.740 -0.025 0.000 0.268 55 N C -0.239 175.307 175.510 0.059 0.000 1.023 55 N CA -0.401 52.688 53.050 0.066 0.000 0.896 55 N CB 1.801 40.308 38.487 0.034 0.000 1.233 55 N HN 0.789 nan 8.380 nan 0.000 0.512 56 G N 0.363 109.185 108.800 0.037 0.000 2.425 56 G HA2 0.398 4.343 3.960 -0.025 0.000 0.302 56 G HA3 0.398 4.343 3.960 -0.025 0.000 0.302 56 G C -0.513 174.402 174.900 0.025 0.000 1.159 56 G CA -0.188 44.926 45.100 0.024 0.000 0.865 56 G HN 0.400 nan 8.290 nan 0.000 0.515 57 E N 1.390 121.619 120.200 0.048 0.000 2.916 57 E HA 0.324 4.659 4.350 -0.025 0.000 0.217 57 E C -2.151 174.518 176.600 0.114 0.000 1.100 57 E CA -1.766 54.695 56.400 0.101 0.000 0.891 57 E CB 1.043 30.800 29.700 0.096 0.000 1.311 57 E HN 0.312 nan 8.360 nan 0.000 0.421 58 P HA 0.149 nan 4.420 nan 0.000 0.274 58 P C -0.064 177.323 177.300 0.145 0.000 1.237 58 P CA -0.230 62.919 63.100 0.081 0.000 0.793 58 P CB 1.242 32.962 31.700 0.034 0.000 0.977 59 D N 0.025 120.448 120.400 0.038 0.000 2.117 59 D HA -0.070 4.555 4.640 -0.025 0.000 0.197 59 D C 0.606 177.028 176.300 0.203 0.000 0.987 59 D CA 2.058 56.109 54.000 0.084 0.000 0.829 59 D CB -0.256 40.592 40.800 0.079 0.000 0.961 59 D HN 0.589 nan 8.370 nan 0.000 0.460 60 Y N -2.182 118.200 120.300 0.136 0.000 2.638 60 Y HA 0.592 5.127 4.550 -0.024 0.000 0.335 60 Y C -1.404 174.603 175.900 0.179 0.000 1.155 60 Y CA -1.418 56.777 58.100 0.159 0.000 1.046 60 Y CB 0.853 39.361 38.460 0.079 0.000 1.303 60 Y HN -0.329 nan 8.280 nan 0.000 0.460 61 I N 2.196 122.981 120.570 0.359 0.000 2.382 61 I HA 0.250 4.405 4.170 -0.025 0.000 0.286 61 I C -0.947 175.344 176.117 0.289 0.000 1.002 61 I CA -0.545 60.892 61.300 0.228 0.000 1.135 61 I CB 1.273 39.348 38.000 0.124 0.000 1.288 61 I HN 0.736 nan 8.210 nan 0.000 0.448 62 H N 6.669 125.881 119.070 0.238 0.000 2.820 62 H HA 0.440 4.981 4.556 -0.025 0.000 0.278 62 H C -0.679 174.726 175.328 0.128 0.000 1.142 62 H CA -0.428 55.756 56.048 0.227 0.000 1.346 62 H CB 0.610 30.537 29.762 0.276 0.000 1.438 62 H HN 0.474 nan 8.280 nan 0.000 0.473 63 L N 6.120 127.452 121.223 0.182 0.000 2.319 63 L HA 0.225 4.551 4.340 -0.025 0.000 0.280 63 L C -0.350 176.637 176.870 0.195 0.000 1.099 63 L CA -0.561 54.368 54.840 0.148 0.000 0.828 63 L CB 0.750 42.854 42.059 0.075 0.000 1.150 63 L HN 0.418 nan 8.230 nan 0.000 0.442 64 V N -0.144 119.864 119.914 0.156 0.000 2.769 64 V HA 0.788 4.894 4.120 -0.025 0.000 0.312 64 V C 0.348 176.487 176.094 0.076 0.000 1.061 64 V CA -0.264 62.116 62.300 0.132 0.000 0.931 64 V CB 1.506 33.395 31.823 0.109 0.000 1.010 64 V HN 0.755 nan 8.190 nan 0.000 0.433 65 G N 1.782 110.620 108.800 0.063 0.000 2.833 65 G HA2 0.481 4.426 3.960 -0.025 0.000 0.214 65 G HA3 0.481 4.426 3.960 -0.025 0.000 0.214 65 G C 0.385 175.302 174.900 0.030 0.000 1.075 65 G CA 0.662 45.787 45.100 0.041 0.000 0.799 65 G HN 1.275 nan 8.290 nan 0.000 0.541 66 S N -1.672 114.047 115.700 0.031 0.000 2.651 66 S HA 0.475 4.930 4.470 -0.025 0.000 0.279 66 S C 0.864 175.473 174.600 0.015 0.000 1.148 66 S CA 0.286 58.498 58.200 0.020 0.000 0.837 66 S CB 1.415 64.630 63.200 0.025 0.000 1.138 66 S HN -0.119 nan 8.310 nan 0.000 0.478 67 T N 1.123 115.681 114.554 0.006 0.000 2.759 67 T HA -0.143 4.192 4.350 -0.025 0.000 0.269 67 T C 1.738 176.444 174.700 0.010 0.000 1.042 67 T CA 2.094 64.195 62.100 0.001 0.000 1.140 67 T CB -0.480 68.389 68.868 0.002 0.000 0.864 67 T HN 0.652 nan 8.240 nan 0.000 0.455 68 Q N 1.232 121.042 119.800 0.018 0.000 2.124 68 Q HA -0.069 4.256 4.340 -0.025 0.000 0.202 68 Q C 2.286 178.299 176.000 0.022 0.000 0.977 68 Q CA 1.560 57.375 55.803 0.021 0.000 0.850 68 Q CB -0.327 28.425 28.738 0.024 0.000 0.901 68 Q HN 0.588 nan 8.270 nan 0.000 0.429 69 Q N -1.072 118.746 119.800 0.030 0.000 2.124 69 Q HA -0.119 4.206 4.340 -0.025 0.000 0.202 69 Q C 2.037 178.039 176.000 0.003 0.000 0.977 69 Q CA 1.574 57.403 55.803 0.043 0.000 0.850 69 Q CB 0.032 28.814 28.738 0.073 0.000 0.901 69 Q HN 0.262 nan 8.270 nan 0.000 0.429 70 V N 0.861 120.776 119.914 0.002 0.000 2.295 70 V HA -0.279 3.826 4.120 -0.025 0.000 0.246 70 V C 2.283 178.370 176.094 -0.011 0.000 1.049 70 V CA 1.811 64.104 62.300 -0.013 0.000 1.024 70 V CB -1.018 30.807 31.823 0.003 0.000 0.648 70 V HN 0.399 nan 8.190 nan 0.000 0.447 71 A N 0.169 122.992 122.820 0.005 0.000 1.908 71 A HA -0.269 4.037 4.320 -0.025 0.000 0.218 71 A C 1.945 179.530 177.584 0.001 0.000 1.181 71 A CA 2.181 54.227 52.037 0.015 0.000 0.627 71 A CB -0.658 18.353 19.000 0.018 0.000 0.818 71 A HN 0.559 nan 8.150 nan 0.000 0.445 72 D N 0.003 120.398 120.400 -0.008 0.000 2.144 72 D HA 0.011 4.636 4.640 -0.025 0.000 0.200 72 D C 2.180 178.448 176.300 -0.053 0.000 0.978 72 D CA 1.406 55.401 54.000 -0.009 0.000 0.833 72 D CB -0.435 40.376 40.800 0.019 0.000 0.961 72 D HN 0.440 nan 8.370 nan 0.000 0.470 73 A N 0.572 123.293 122.820 -0.164 0.000 1.873 73 A HA -0.109 4.196 4.320 -0.025 0.000 0.215 73 A C 2.492 180.027 177.584 -0.082 0.000 1.186 73 A CA 1.095 52.932 52.037 -0.332 0.000 0.616 73 A CB -0.763 17.869 19.000 -0.612 0.000 0.823 73 A HN 0.130 nan 8.150 nan 0.000 0.442 74 V N 0.223 120.129 119.914 -0.013 0.000 2.343 74 V HA -0.273 3.832 4.120 -0.025 0.000 0.247 74 V C 2.432 178.516 176.094 -0.016 0.000 1.051 74 V CA 2.282 64.615 62.300 0.054 0.000 1.036 74 V CB -0.841 31.066 31.823 0.140 0.000 0.654 74 V HN 0.615 nan 8.190 nan 0.000 0.451 75 E N -0.359 119.829 120.200 -0.020 0.000 2.110 75 E HA -0.285 4.050 4.350 -0.025 0.000 0.193 75 E C 2.275 178.869 176.600 -0.010 0.000 0.988 75 E CA 1.445 57.824 56.400 -0.035 0.000 0.804 75 E CB -0.072 29.620 29.700 -0.013 0.000 0.745 75 E HN 0.695 nan 8.360 nan 0.000 0.458 76 E N 0.117 120.335 120.200 0.030 0.000 2.106 76 E HA -0.163 4.172 4.350 -0.025 0.000 0.192 76 E C 2.074 178.741 176.600 0.111 0.000 0.984 76 E CA 1.781 58.228 56.400 0.080 0.000 0.806 76 E CB 0.085 29.861 29.700 0.127 0.000 0.750 76 E HN 0.290 nan 8.360 nan 0.000 0.458 77 T N -1.740 112.886 114.554 0.121 0.000 2.867 77 T HA -0.092 4.243 4.350 -0.025 0.000 0.268 77 T C 1.942 176.762 174.700 0.201 0.000 1.057 77 T CA 1.133 63.329 62.100 0.161 0.000 1.136 77 T CB -0.390 68.592 68.868 0.190 0.000 0.874 77 T HN 0.004 nan 8.240 nan 0.000 0.466 78 V N 1.448 121.380 119.914 0.029 0.000 2.307 78 V HA -0.060 4.045 4.120 -0.025 0.000 0.245 78 V C 2.981 179.081 176.094 0.011 0.000 1.045 78 V CA 1.816 64.069 62.300 -0.078 0.000 1.024 78 V CB -0.723 30.919 31.823 -0.302 0.000 0.651 78 V HN 0.409 nan 8.190 nan 0.000 0.449 79 R N 0.383 120.890 120.500 0.012 0.000 2.096 79 R HA -0.159 4.166 4.340 -0.025 0.000 0.235 79 R C 2.315 178.642 176.300 0.045 0.000 1.127 79 R CA 2.030 58.144 56.100 0.024 0.000 0.968 79 R CB -0.285 30.030 30.300 0.025 0.000 0.861 79 R HN 0.723 nan 8.270 nan 0.000 0.440 80 T N -3.980 110.616 114.554 0.070 0.000 3.065 80 T HA 0.166 4.502 4.350 -0.025 0.000 0.252 80 T C 1.196 175.938 174.700 0.069 0.000 1.099 80 T CA 0.488 62.634 62.100 0.077 0.000 1.063 80 T CB 0.594 69.531 68.868 0.114 0.000 0.948 80 T HN 0.372 nan 8.240 nan 0.000 0.506 81 G N 1.737 110.584 108.800 0.078 0.000 2.176 81 G HA2 -0.248 3.697 3.960 -0.025 0.000 0.252 81 G HA3 -0.248 3.697 3.960 -0.025 0.000 0.252 81 G C -0.202 174.723 174.900 0.041 0.000 1.024 81 G CA 0.026 45.167 45.100 0.067 0.000 0.755 81 G HN 0.648 nan 8.290 nan 0.000 0.507 82 K N -0.244 120.182 120.400 0.042 0.000 2.201 82 K HA 0.440 4.745 4.320 -0.025 0.000 0.278 82 K C 0.675 177.220 176.600 -0.091 0.000 1.027 82 K CA -0.969 55.309 56.287 -0.014 0.000 0.909 82 K CB 1.037 33.530 32.500 -0.011 0.000 1.062 82 K HN 0.210 nan 8.250 nan 0.000 0.465 83 R N 2.444 122.871 120.500 -0.121 0.000 2.458 83 R HA 0.052 4.377 4.340 -0.025 0.000 0.303 83 R C -0.839 175.329 176.300 -0.221 0.000 1.013 83 R CA 0.030 56.008 56.100 -0.203 0.000 1.026 83 R CB 0.233 30.442 30.300 -0.151 0.000 0.948 83 R HN 0.381 nan 8.270 nan 0.000 0.417 84 V N 4.048 123.783 119.914 -0.298 0.000 2.547 84 V HA 0.850 4.955 4.120 -0.025 0.000 0.299 84 V C -0.830 175.190 176.094 -0.123 0.000 1.040 84 V CA -0.048 62.145 62.300 -0.179 0.000 0.913 84 V CB 1.556 33.314 31.823 -0.107 0.000 0.992 84 V HN 1.003 nan 8.190 nan 0.000 0.449 85 A N 5.426 128.220 122.820 -0.043 0.000 2.449 85 A HA 0.842 5.148 4.320 -0.025 0.000 0.302 85 A C -1.065 176.547 177.584 0.047 0.000 1.048 85 A CA -0.548 51.493 52.037 0.006 0.000 0.708 85 A CB 1.921 20.906 19.000 -0.025 0.000 1.274 85 A HN 0.888 nan 8.150 nan 0.000 0.410 86 V N 1.262 121.220 119.914 0.073 0.000 2.716 86 V HA 0.777 4.882 4.120 -0.025 0.000 0.304 86 V C 0.354 176.473 176.094 0.043 0.000 1.053 86 V CA -0.636 61.704 62.300 0.066 0.000 0.984 86 V CB 1.526 33.391 31.823 0.070 0.000 1.021 86 V HN 0.994 nan 8.190 nan 0.000 0.467 87 R N 1.432 121.955 120.500 0.039 0.000 2.515 87 R HA 0.536 4.861 4.340 -0.025 0.000 0.278 87 R C -0.516 175.804 176.300 0.032 0.000 1.107 87 R CA -0.175 55.941 56.100 0.027 0.000 0.945 87 R CB 2.157 32.464 30.300 0.012 0.000 1.219 87 R HN 0.759 nan 8.270 nan 0.000 0.434 88 S N 1.660 117.381 115.700 0.035 0.000 3.066 88 S HA 0.193 4.649 4.470 -0.025 0.000 0.235 88 S C 1.139 175.758 174.600 0.031 0.000 0.995 88 S CA 0.503 58.724 58.200 0.035 0.000 0.835 88 S CB 0.672 63.900 63.200 0.047 0.000 0.814 88 S HN 0.769 nan 8.310 nan 0.000 0.594 89 G N -0.001 108.824 108.800 0.042 0.000 2.656 89 G HA2 0.405 4.351 3.960 -0.025 0.000 0.211 89 G HA3 0.405 4.351 3.960 -0.025 0.000 0.211 89 G C 0.951 175.929 174.900 0.131 0.000 1.137 89 G CA 0.471 45.619 45.100 0.081 0.000 0.802 89 G HN 1.001 nan 8.290 nan 0.000 0.527 90 G N 0.024 108.858 108.800 0.056 0.000 2.198 90 G HA2 -0.276 3.670 3.960 -0.025 0.000 0.260 90 G HA3 -0.276 3.670 3.960 -0.025 0.000 0.260 90 G C 0.537 175.387 174.900 -0.083 0.000 1.025 90 G CA 0.443 45.534 45.100 -0.015 0.000 0.769 90 G HN 0.596 nan 8.290 nan 0.000 0.507 91 H N -0.957 118.036 119.070 -0.127 0.000 2.537 91 H HA 0.205 4.747 4.556 -0.024 0.000 0.295 91 H C 1.376 176.490 175.328 -0.357 0.000 1.054 91 H CA 0.173 56.092 56.048 -0.215 0.000 1.156 91 H CB 0.103 29.745 29.762 -0.199 0.000 1.468 91 H HN 0.447 nan 8.280 nan 0.000 0.551 92 C N 1.252 120.435 119.300 -0.194 0.000 2.648 92 C HA -0.037 4.408 4.460 -0.025 0.000 0.415 92 C C 1.610 176.453 174.990 -0.244 0.000 1.366 92 C CA -0.319 58.540 59.018 -0.266 0.000 1.756 92 C CB -1.420 26.170 27.740 -0.250 0.000 2.549 92 C HN 0.420 nan 8.230 nan 0.000 0.597 93 F N 2.270 122.145 119.950 -0.125 0.000 2.661 93 F HA 0.177 4.691 4.527 -0.021 0.000 0.298 93 F C 1.630 177.348 175.800 -0.135 0.000 1.137 93 F CA 0.902 58.874 58.000 -0.047 0.000 1.454 93 F CB -0.243 38.757 39.000 -0.000 0.000 1.103 93 F HN 0.632 nan 8.300 nan 0.000 0.577 94 E N -0.187 119.717 120.200 -0.493 0.000 2.370 94 E HA 0.123 4.458 4.350 -0.025 0.000 0.259 94 E C -0.105 175.566 176.600 -1.549 0.000 0.947 94 E CA -0.279 55.490 56.400 -1.052 0.000 0.809 94 E CB 0.794 29.694 29.700 -1.335 0.000 1.300 94 E HN 0.006 nan 8.360 nan 0.000 0.419 95 D N 0.414 119.913 120.400 -1.501 0.000 2.676 95 D HA 0.009 4.634 4.640 -0.025 0.000 0.239 95 D C 0.691 176.795 176.300 -0.326 0.000 1.213 95 D CA -0.031 53.359 54.000 -1.017 0.000 0.835 95 D CB -0.475 39.937 40.800 -0.647 0.000 1.009 95 D HN 0.094 nan 8.370 nan 0.000 0.479 96 F N 0.181 119.875 119.950 -0.427 0.000 2.325 96 F HA -0.052 4.461 4.527 -0.024 0.000 0.299 96 F C 2.161 177.830 175.800 -0.219 0.000 1.090 96 F CA 0.144 57.943 58.000 -0.335 0.000 1.392 96 F CB -0.424 38.238 39.000 -0.563 0.000 1.053 96 F HN 0.044 nan 8.300 nan 0.000 0.521 97 V N -1.840 118.053 119.914 -0.035 0.000 3.013 97 V HA 0.075 4.180 4.120 -0.025 0.000 0.238 97 V C -0.025 176.043 176.094 -0.043 0.000 1.161 97 V CA 0.463 62.742 62.300 -0.034 0.000 1.170 97 V CB 0.056 31.859 31.823 -0.034 0.000 0.917 97 V HN -0.072 nan 8.190 nan 0.000 0.478 98 D N 3.456 123.822 120.400 -0.055 0.000 2.499 98 D HA 0.329 4.954 4.640 -0.025 0.000 0.225 98 D C -0.491 175.817 176.300 0.012 0.000 1.124 98 D CA 0.180 54.180 54.000 0.000 0.000 0.938 98 D CB 0.107 40.953 40.800 0.076 0.000 1.014 98 D HN 0.655 nan 8.370 nan 0.000 0.517 99 N N 0.189 118.889 118.700 0.000 0.000 2.396 99 N HA 0.264 4.989 4.740 -0.025 0.000 0.275 99 N C -2.608 172.911 175.510 0.015 0.000 1.218 99 N CA -1.481 51.579 53.050 0.016 0.000 0.812 99 N CB 2.550 41.035 38.487 -0.005 0.000 1.592 99 N HN -0.295 nan 8.380 nan 0.000 0.480 100 P HA -0.106 nan 4.420 nan 0.000 0.217 100 P C 0.322 177.629 177.300 0.012 0.000 1.148 100 P CA 1.352 64.467 63.100 0.025 0.000 0.828 100 P CB 0.183 31.901 31.700 0.031 0.000 0.783 101 D N -1.410 118.992 120.400 0.004 0.000 2.277 101 D HA -0.018 4.607 4.640 -0.025 0.000 0.208 101 D C 0.473 176.753 176.300 -0.034 0.000 0.962 101 D CA 0.454 54.450 54.000 -0.007 0.000 0.865 101 D CB -0.301 40.500 40.800 0.001 0.000 0.939 101 D HN 0.032 nan 8.370 nan 0.000 0.510 102 V N 2.147 122.034 119.914 -0.044 0.000 2.470 102 V HA 0.032 4.137 4.120 -0.025 0.000 0.276 102 V C 1.175 177.232 176.094 -0.062 0.000 1.040 102 V CA 0.238 62.495 62.300 -0.072 0.000 1.008 102 V CB 1.459 33.240 31.823 -0.071 0.000 0.990 102 V HN -0.043 nan 8.190 nan 0.000 0.477 103 K N 3.468 123.813 120.400 -0.092 0.000 2.380 103 K HA 0.313 4.618 4.320 -0.025 0.000 0.198 103 K C -0.286 176.187 176.600 -0.212 0.000 1.070 103 K CA 0.342 56.568 56.287 -0.102 0.000 1.040 103 K CB 1.236 33.689 32.500 -0.078 0.000 0.903 103 K HN 0.442 nan 8.250 nan 0.000 0.549 104 V N 3.224 123.000 119.914 -0.231 0.000 2.623 104 V HA 0.390 4.496 4.120 -0.025 0.000 0.304 104 V C -0.795 175.213 176.094 -0.143 0.000 1.054 104 V CA -0.830 61.273 62.300 -0.329 0.000 0.882 104 V CB 2.506 34.088 31.823 -0.402 0.000 1.002 104 V HN -0.020 nan 8.190 nan 0.000 0.424 105 I N 5.592 126.113 120.570 -0.082 0.000 2.328 105 I HA 0.445 4.600 4.170 -0.025 0.000 0.287 105 I C -0.082 176.075 176.117 0.066 0.000 1.012 105 I CA -0.293 61.004 61.300 -0.006 0.000 1.195 105 I CB 1.651 39.646 38.000 -0.009 0.000 1.350 105 I HN 0.479 nan 8.210 nan 0.000 0.464 106 I N 5.420 126.036 120.570 0.078 0.000 2.347 106 I HA 0.099 4.254 4.170 -0.025 0.000 0.294 106 I C 0.464 176.636 176.117 0.091 0.000 1.090 106 I CA 0.142 61.511 61.300 0.115 0.000 1.314 106 I CB 0.396 38.453 38.000 0.096 0.000 1.423 106 I HN 0.470 nan 8.210 nan 0.000 0.503 107 D N 7.880 128.343 120.400 0.104 0.000 2.274 107 D HA 0.208 4.833 4.640 -0.025 0.000 0.239 107 D C 0.426 176.765 176.300 0.066 0.000 1.104 107 D CA -0.401 53.641 54.000 0.071 0.000 0.840 107 D CB 1.341 42.179 40.800 0.064 0.000 1.100 107 D HN 0.393 nan 8.370 nan 0.000 0.477 108 M N 2.345 121.974 119.600 0.048 0.000 2.530 108 M HA 0.029 4.494 4.480 -0.025 0.000 0.231 108 M C 1.621 177.939 176.300 0.030 0.000 1.180 108 M CA -0.066 55.257 55.300 0.038 0.000 0.985 108 M CB -0.446 32.172 32.600 0.030 0.000 1.623 108 M HN 0.142 nan 8.290 nan 0.000 0.475 109 S N 1.312 117.031 115.700 0.031 0.000 2.400 109 S HA -0.063 4.392 4.470 -0.025 0.000 0.232 109 S C 1.883 176.495 174.600 0.021 0.000 1.025 109 S CA 1.200 59.413 58.200 0.022 0.000 0.993 109 S CB -0.163 63.049 63.200 0.021 0.000 0.808 109 S HN 0.523 nan 8.310 nan 0.000 0.478 110 L N 0.317 121.556 121.223 0.027 0.000 2.341 110 L HA 0.170 4.496 4.340 -0.025 0.000 0.214 110 L C 0.309 177.191 176.870 0.019 0.000 1.115 110 L CA 0.320 55.175 54.840 0.025 0.000 0.820 110 L CB -0.250 41.828 42.059 0.032 0.000 0.944 110 L HN 0.166 nan 8.230 nan 0.000 0.452 111 L N 1.541 122.774 121.223 0.016 0.000 2.395 111 L HA 0.075 4.400 4.340 -0.025 0.000 0.268 111 L C 0.349 177.220 176.870 0.003 0.000 1.223 111 L CA 0.056 54.899 54.840 0.005 0.000 1.093 111 L CB -0.225 41.831 42.059 -0.004 0.000 1.349 111 L HN 0.139 nan 8.230 nan 0.000 0.427 112 T N -2.689 111.870 114.554 0.007 0.000 3.483 112 T HA 0.240 4.575 4.350 -0.025 0.000 0.258 112 T C -0.106 174.606 174.700 0.019 0.000 1.013 112 T CA -0.717 61.388 62.100 0.009 0.000 1.078 112 T CB 0.170 69.044 68.868 0.010 0.000 1.111 112 T HN 0.234 nan 8.240 nan 0.000 0.538 113 E N 1.790 121.997 120.200 0.013 0.000 2.229 113 E HA 0.554 4.889 4.350 -0.025 0.000 0.283 113 E C -0.863 175.763 176.600 0.043 0.000 1.030 113 E CA -0.698 55.719 56.400 0.029 0.000 0.836 113 E CB 0.520 30.227 29.700 0.012 0.000 1.068 113 E HN 0.577 nan 8.360 nan 0.000 0.401 114 I N 4.085 124.713 120.570 0.096 0.000 2.521 114 I HA 0.637 4.792 4.170 -0.025 0.000 0.277 114 I C -0.628 175.640 176.117 0.251 0.000 1.054 114 I CA -0.522 60.866 61.300 0.147 0.000 1.117 114 I CB 1.298 39.393 38.000 0.159 0.000 1.217 114 I HN 0.546 nan 8.210 nan 0.000 0.469 115 A N 4.397 127.338 122.820 0.202 0.000 2.606 115 A HA 0.624 4.929 4.320 -0.025 0.000 0.293 115 A C -1.755 175.847 177.584 0.030 0.000 1.082 115 A CA -0.560 51.614 52.037 0.229 0.000 0.685 115 A CB 1.287 20.413 19.000 0.209 0.000 1.284 115 A HN 0.523 nan 8.150 nan 0.000 0.408 116 Y N 1.485 121.599 120.300 -0.309 0.000 2.402 116 Y HA 0.442 4.977 4.550 -0.025 0.000 0.333 116 Y C -0.269 175.474 175.900 -0.261 0.000 1.076 116 Y CA -0.233 57.477 58.100 -0.651 0.000 1.299 116 Y CB 0.737 38.618 38.460 -0.965 0.000 1.197 116 Y HN 0.612 nan 8.280 nan 0.000 0.517 117 D N 8.585 128.528 120.400 -0.761 0.000 2.359 117 D HA 0.265 4.891 4.640 -0.025 0.000 0.230 117 D C -2.094 173.614 176.300 -0.986 0.000 1.118 117 D CA -2.518 51.142 54.000 -0.567 0.000 0.844 117 D CB 1.942 42.725 40.800 -0.028 0.000 1.059 117 D HN 0.373 nan 8.370 nan 0.000 0.493 118 P HA -0.058 nan 4.420 nan 0.000 0.219 118 P C 1.241 178.357 177.300 -0.306 0.000 1.150 118 P CA 0.679 63.453 63.100 -0.542 0.000 0.814 118 P CB 0.400 31.952 31.700 -0.247 0.000 0.787 119 S N -0.764 114.786 115.700 -0.251 0.000 2.368 119 S HA -0.077 4.379 4.470 -0.025 0.000 0.225 119 S C 1.730 176.185 174.600 -0.242 0.000 1.030 119 S CA 1.238 59.322 58.200 -0.193 0.000 0.999 119 S CB -0.670 62.439 63.200 -0.152 0.000 0.844 119 S HN 0.111 nan 8.310 nan 0.000 0.459 120 M N 0.694 120.101 119.600 -0.322 0.000 2.509 120 M HA 0.193 4.658 4.480 -0.025 0.000 0.250 120 M C 0.578 176.664 176.300 -0.357 0.000 1.132 120 M CA 0.241 55.305 55.300 -0.393 0.000 1.080 120 M CB -1.295 30.912 32.600 -0.656 0.000 1.408 120 M HN 0.413 nan 8.290 nan 0.000 0.484 121 N N 1.403 119.921 118.700 -0.304 0.000 2.725 121 N HA -0.152 4.573 4.740 -0.025 0.000 0.251 121 N C -0.725 174.699 175.510 -0.142 0.000 1.031 121 N CA 0.271 53.213 53.050 -0.179 0.000 0.720 121 N CB -0.182 38.225 38.487 -0.135 0.000 0.930 121 N HN 0.451 nan 8.380 nan 0.000 0.543 122 A N 0.157 122.883 122.820 -0.155 0.000 2.602 122 A HA 0.686 4.991 4.320 -0.025 0.000 0.290 122 A C -1.158 176.429 177.584 0.004 0.000 1.114 122 A CA -0.599 51.440 52.037 0.004 0.000 0.683 122 A CB 0.686 19.739 19.000 0.088 0.000 1.281 122 A HN 0.154 nan 8.150 nan 0.000 0.416 123 F N 0.463 120.504 119.950 0.153 0.000 2.420 123 F HA 0.466 4.979 4.527 -0.024 0.000 0.352 123 F C 0.393 176.236 175.800 0.071 0.000 1.108 123 F CA -0.002 58.029 58.000 0.050 0.000 1.162 123 F CB 1.377 40.339 39.000 -0.063 0.000 1.118 123 F HN 0.464 nan 8.300 nan 0.000 0.510 124 L N 5.859 127.152 121.223 0.117 0.000 2.278 124 L HA 0.482 4.807 4.340 -0.025 0.000 0.287 124 L C -0.851 175.977 176.870 -0.069 0.000 1.072 124 L CA -0.102 54.642 54.840 -0.160 0.000 0.819 124 L CB 0.068 42.012 42.059 -0.192 0.000 1.176 124 L HN 0.518 nan 8.230 nan 0.000 0.435 125 I N 5.037 125.556 120.570 -0.085 0.000 2.420 125 I HA 0.280 4.436 4.170 -0.025 0.000 0.282 125 I C -0.166 175.949 176.117 -0.003 0.000 1.019 125 I CA -0.504 60.794 61.300 -0.004 0.000 1.130 125 I CB 1.547 39.569 38.000 0.037 0.000 1.262 125 I HN 0.584 nan 8.210 nan 0.000 0.454 126 E N 7.741 127.922 120.200 -0.032 0.000 2.366 126 E HA 0.128 4.463 4.350 -0.025 0.000 0.266 126 E C -1.398 175.226 176.600 0.039 0.000 1.051 126 E CA -1.570 54.807 56.400 -0.037 0.000 0.884 126 E CB 1.004 30.671 29.700 -0.055 0.000 1.006 126 E HN 0.350 nan 8.360 nan 0.000 0.417 127 P HA -0.196 nan 4.420 nan 0.000 0.216 127 P C 1.129 178.465 177.300 0.060 0.000 1.150 127 P CA 1.330 64.500 63.100 0.116 0.000 0.843 127 P CB 0.083 31.820 31.700 0.063 0.000 0.787 128 G N -0.595 108.221 108.800 0.027 0.000 2.625 128 G HA2 -0.124 3.822 3.960 -0.025 0.000 0.214 128 G HA3 -0.124 3.822 3.960 -0.025 0.000 0.214 128 G C 0.837 175.736 174.900 -0.002 0.000 1.132 128 G CA -0.076 45.033 45.100 0.015 0.000 0.782 128 G HN 0.284 nan 8.290 nan 0.000 0.538 129 N N 1.161 119.855 118.700 -0.009 0.000 2.508 129 N HA 0.131 4.856 4.740 -0.025 0.000 0.264 129 N C 0.095 175.557 175.510 -0.080 0.000 1.216 129 N CA 0.448 53.475 53.050 -0.038 0.000 0.943 129 N CB 0.924 39.388 38.487 -0.038 0.000 1.113 129 N HN 0.026 nan 8.380 nan 0.000 0.447 130 T N 0.911 115.401 114.554 -0.107 0.000 2.922 130 T HA 0.252 4.587 4.350 -0.025 0.000 0.285 130 T C 2.044 176.582 174.700 -0.270 0.000 1.005 130 T CA -0.702 61.299 62.100 -0.165 0.000 1.061 130 T CB 1.108 69.897 68.868 -0.131 0.000 1.007 130 T HN 0.288 nan 8.240 nan 0.000 0.502 131 L N 1.195 122.185 121.223 -0.388 0.000 2.079 131 L HA -0.149 4.176 4.340 -0.025 0.000 0.210 131 L C 2.911 179.333 176.870 -0.747 0.000 1.081 131 L CA 1.245 55.676 54.840 -0.681 0.000 0.752 131 L CB -0.545 41.105 42.059 -0.682 0.000 0.896 131 L HN 0.775 nan 8.230 nan 0.000 0.433 132 S N -0.419 115.071 115.700 -0.350 0.000 2.382 132 S HA -0.210 4.245 4.470 -0.025 0.000 0.228 132 S C 1.820 176.346 174.600 -0.124 0.000 1.027 132 S CA 1.481 59.586 58.200 -0.157 0.000 0.991 132 S CB -0.090 63.052 63.200 -0.096 0.000 0.823 132 S HN 0.455 nan 8.310 nan 0.000 0.469 133 E N -0.144 119.972 120.200 -0.141 0.000 2.208 133 E HA -0.052 4.284 4.350 -0.025 0.000 0.193 133 E C 2.039 178.600 176.600 -0.065 0.000 0.988 133 E CA 1.050 57.405 56.400 -0.075 0.000 0.828 133 E CB 0.011 29.674 29.700 -0.060 0.000 0.763 133 E HN 0.386 nan 8.360 nan 0.000 0.478 134 V N 0.593 120.404 119.914 -0.173 0.000 2.346 134 V HA -0.226 3.879 4.120 -0.025 0.000 0.244 134 V C 1.883 177.970 176.094 -0.012 0.000 1.037 134 V CA 1.466 63.684 62.300 -0.137 0.000 1.029 134 V CB -0.639 31.030 31.823 -0.256 0.000 0.663 134 V HN 0.210 nan 8.190 nan 0.000 0.454 135 Y N 0.861 121.174 120.300 0.022 0.000 2.207 135 Y HA -0.214 4.321 4.550 -0.025 0.000 0.287 135 Y C 2.554 178.529 175.900 0.124 0.000 1.156 135 Y CA 1.492 59.639 58.100 0.078 0.000 1.182 135 Y CB -0.884 37.585 38.460 0.015 0.000 0.979 135 Y HN 0.309 nan 8.280 nan 0.000 0.521 136 E N 0.420 120.742 120.200 0.203 0.000 2.031 136 E HA -0.159 4.177 4.350 -0.025 0.000 0.193 136 E C 2.254 178.967 176.600 0.189 0.000 0.994 136 E CA 1.338 57.838 56.400 0.166 0.000 0.800 136 E CB -0.081 29.665 29.700 0.078 0.000 0.752 136 E HN 0.019 nan 8.360 nan 0.000 0.447 137 K N -0.183 120.313 120.400 0.160 0.000 2.103 137 K HA -0.063 4.242 4.320 -0.025 0.000 0.204 137 K C 1.969 178.735 176.600 0.277 0.000 1.052 137 K CA 0.567 56.962 56.287 0.181 0.000 0.945 137 K CB -0.213 32.399 32.500 0.187 0.000 0.722 137 K HN 0.168 nan 8.250 nan 0.000 0.443 138 L N 0.245 121.639 121.223 0.285 0.000 2.141 138 L HA -0.146 4.179 4.340 -0.025 0.000 0.209 138 L C 2.231 179.279 176.870 0.297 0.000 1.094 138 L CA 1.395 56.410 54.840 0.291 0.000 0.763 138 L CB -0.794 41.326 42.059 0.101 0.000 0.908 138 L HN 0.185 nan 8.230 nan 0.000 0.437 139 Y N -0.282 120.119 120.300 0.169 0.000 2.130 139 Y HA -0.170 4.365 4.550 -0.024 0.000 0.287 139 Y C 2.271 178.219 175.900 0.081 0.000 1.124 139 Y CA 1.569 59.759 58.100 0.151 0.000 1.118 139 Y CB -0.315 38.296 38.460 0.251 0.000 0.994 139 Y HN 0.044 nan 8.280 nan 0.000 0.497 140 L N -0.644 120.582 121.223 0.005 0.000 2.046 140 L HA -0.125 4.201 4.340 -0.025 0.000 0.208 140 L C 2.638 179.359 176.870 -0.249 0.000 1.077 140 L CA 1.329 56.075 54.840 -0.156 0.000 0.747 140 L CB -1.325 40.706 42.059 -0.048 0.000 0.896 140 L HN 0.382 nan 8.230 nan 0.000 0.432 141 G N -0.918 107.717 108.800 -0.275 0.000 2.404 141 G HA2 -0.189 3.756 3.960 -0.025 0.000 0.214 141 G HA3 -0.189 3.756 3.960 -0.025 0.000 0.214 141 G C 1.070 175.496 174.900 -0.790 0.000 1.189 141 G CA 0.297 44.939 45.100 -0.763 0.000 0.789 141 G HN 0.409 nan 8.290 nan 0.000 0.533 142 W N -0.604 120.695 121.300 -0.002 0.000 2.284 142 W HA 0.265 4.910 4.660 -0.025 0.000 0.334 142 W C 0.668 177.148 176.519 -0.065 0.000 0.917 142 W CA -0.547 56.801 57.345 0.004 0.000 1.621 142 W CB -0.204 29.341 29.460 0.142 0.000 1.129 142 W HN 0.316 nan 8.180 nan 0.000 0.528 143 N N 1.932 120.650 118.700 0.030 0.000 2.727 143 N HA -0.199 4.526 4.740 -0.025 0.000 0.249 143 N C -0.791 174.725 175.510 0.009 0.000 1.048 143 N CA 1.354 54.373 53.050 -0.052 0.000 0.714 143 N CB -1.249 37.184 38.487 -0.089 0.000 0.959 143 N HN 0.043 nan 8.380 nan 0.000 0.544 144 V N -4.532 115.399 119.914 0.028 0.000 3.155 144 V HA 0.988 5.093 4.120 -0.025 0.000 0.313 144 V C 0.463 176.498 176.094 -0.099 0.000 1.162 144 V CA 0.018 62.249 62.300 -0.114 0.000 1.048 144 V CB 1.992 33.664 31.823 -0.252 0.000 1.092 144 V HN 0.239 nan 8.190 nan 0.000 0.447 145 T N 0.953 115.362 114.554 -0.241 0.000 2.786 145 T HA 0.580 4.915 4.350 -0.025 0.000 0.316 145 T C -1.866 172.674 174.700 -0.267 0.000 1.503 145 T CA -0.380 61.632 62.100 -0.146 0.000 1.019 145 T CB 1.599 70.395 68.868 -0.119 0.000 1.415 145 T HN 1.519 nan 8.240 nan 0.000 0.496 146 I N 1.398 121.922 120.570 -0.076 0.000 2.441 146 I HA 0.633 4.789 4.170 -0.025 0.000 0.295 146 I C -2.593 173.545 176.117 0.035 0.000 0.994 146 I CA -3.069 58.164 61.300 -0.110 0.000 1.144 146 I CB 1.298 39.287 38.000 -0.019 0.000 1.314 146 I HN 0.380 nan 8.210 nan 0.000 0.445 147 P HA 0.166 nan 4.420 nan 0.000 0.231 147 P C 0.396 177.827 177.300 0.218 0.000 1.756 147 P CA 0.360 63.540 63.100 0.133 0.000 0.990 147 P CB -0.381 31.464 31.700 0.242 0.000 1.973 148 G N 0.758 109.725 108.800 0.279 0.000 2.641 148 G HA2 0.508 4.453 3.960 -0.025 0.000 0.239 148 G HA3 0.508 4.453 3.960 -0.025 0.000 0.239 148 G C 0.137 175.191 174.900 0.256 0.000 1.402 148 G CA -0.559 44.780 45.100 0.398 0.000 1.046 148 G HN 0.344 nan 8.290 nan 0.000 0.565 149 G N -1.839 107.052 108.800 0.151 0.000 2.594 149 G HA2 0.333 4.278 3.960 -0.025 0.000 0.243 149 G HA3 0.333 4.278 3.960 -0.025 0.000 0.243 149 G C 1.051 175.938 174.900 -0.022 0.000 1.229 149 G CA 0.110 45.211 45.100 0.001 0.000 0.843 149 G HN 0.447 nan 8.290 nan 0.000 0.578 150 V N 0.535 120.398 119.914 -0.084 0.000 2.358 150 V HA -0.132 3.973 4.120 -0.025 0.000 0.246 150 V C 1.677 177.750 176.094 -0.034 0.000 1.047 150 V CA 0.775 63.015 62.300 -0.101 0.000 1.035 150 V CB -0.776 31.011 31.823 -0.060 0.000 0.658 150 V HN 0.653 nan 8.190 nan 0.000 0.452 151 C N 1.757 121.050 119.300 -0.011 0.000 2.637 151 C HA 0.429 4.874 4.460 -0.025 0.000 0.418 151 C C 2.055 176.989 174.990 -0.094 0.000 1.319 151 C CA 0.045 59.044 59.018 -0.032 0.000 1.949 151 C CB 0.140 27.867 27.740 -0.021 0.000 2.639 151 C HN 0.618 nan 8.230 nan 0.000 0.594 152 G N 2.056 110.810 108.800 -0.077 0.000 2.511 152 G HA2 0.079 4.025 3.960 -0.025 0.000 0.217 152 G HA3 0.079 4.025 3.960 -0.025 0.000 0.217 152 G C 1.538 176.339 174.900 -0.165 0.000 1.133 152 G CA 0.795 45.834 45.100 -0.102 0.000 0.792 152 G HN 0.918 nan 8.290 nan 0.000 0.539 153 G N 0.051 108.749 108.800 -0.169 0.000 2.650 153 G HA2 0.204 4.149 3.960 -0.025 0.000 0.214 153 G HA3 0.204 4.149 3.960 -0.025 0.000 0.214 153 G C 0.495 175.121 174.900 -0.457 0.000 1.136 153 G CA 0.050 45.053 45.100 -0.161 0.000 0.789 153 G HN 0.258 nan 8.290 nan 0.000 0.536 154 V N 1.212 120.717 119.914 -0.681 0.000 2.637 154 V HA 0.491 4.596 4.120 -0.025 0.000 0.296 154 V C 1.215 177.091 176.094 -0.363 0.000 1.046 154 V CA -0.328 61.537 62.300 -0.726 0.000 1.066 154 V CB 0.938 32.417 31.823 -0.573 0.000 0.968 154 V HN 0.201 nan 8.190 nan 0.000 0.483 155 G N 2.898 111.579 108.800 -0.197 0.000 2.507 155 G HA2 0.387 4.333 3.960 -0.025 0.000 0.271 155 G HA3 0.387 4.333 3.960 -0.025 0.000 0.271 155 G C 0.871 175.726 174.900 -0.075 0.000 1.189 155 G CA -0.433 44.607 45.100 -0.101 0.000 0.859 155 G HN 0.511 nan 8.290 nan 0.000 0.542 156 V N 2.245 122.129 119.914 -0.050 0.000 2.379 156 V HA -0.060 4.046 4.120 -0.025 0.000 0.245 156 V C 3.041 179.179 176.094 0.074 0.000 1.044 156 V CA 2.365 64.650 62.300 -0.025 0.000 1.036 156 V CB -0.881 30.922 31.823 -0.034 0.000 0.664 156 V HN 0.871 nan 8.190 nan 0.000 0.453 157 G N 0.385 109.283 108.800 0.164 0.000 2.529 157 G HA2 -0.255 3.690 3.960 -0.025 0.000 0.219 157 G HA3 -0.255 3.690 3.960 -0.025 0.000 0.219 157 G C 1.565 176.617 174.900 0.254 0.000 1.177 157 G CA 1.189 46.462 45.100 0.288 0.000 0.773 157 G HN 0.597 nan 8.290 nan 0.000 0.573 158 G N -0.972 107.914 108.800 0.144 0.000 2.494 158 G HA2 -0.011 3.934 3.960 -0.025 0.000 0.216 158 G HA3 -0.011 3.934 3.960 -0.025 0.000 0.216 158 G C 1.492 176.444 174.900 0.086 0.000 1.140 158 G CA 1.104 46.270 45.100 0.110 0.000 0.801 158 G HN 0.597 nan 8.290 nan 0.000 0.536 159 H N 0.496 119.555 119.070 -0.019 0.000 2.326 159 H HA 0.115 4.655 4.556 -0.025 0.000 0.301 159 H C 2.404 177.710 175.328 -0.035 0.000 1.081 159 H CA 1.478 57.503 56.048 -0.038 0.000 1.334 159 H CB -0.075 29.643 29.762 -0.072 0.000 1.385 159 H HN 0.292 nan 8.280 nan 0.000 0.504 160 I N 0.046 120.536 120.570 -0.133 0.000 2.162 160 I HA -0.269 3.886 4.170 -0.025 0.000 0.238 160 I C 2.555 178.604 176.117 -0.113 0.000 1.076 160 I CA 1.199 62.344 61.300 -0.259 0.000 1.353 160 I CB -0.436 37.154 38.000 -0.683 0.000 1.063 160 I HN 0.564 nan 8.210 nan 0.000 0.408 161 C N 0.366 119.693 119.300 0.045 0.000 2.466 161 C HA 0.105 4.550 4.460 -0.025 0.000 0.283 161 C C 2.371 177.401 174.990 0.067 0.000 1.472 161 C CA 0.091 59.209 59.018 0.168 0.000 1.765 161 C CB -2.038 25.945 27.740 0.405 0.000 1.724 161 C HN 0.561 nan 8.230 nan 0.000 0.560 162 G N -0.413 108.394 108.800 0.011 0.000 2.939 162 G HA2 0.417 4.363 3.960 -0.025 0.000 0.210 162 G HA3 0.417 4.363 3.960 -0.025 0.000 0.210 162 G C 1.118 176.037 174.900 0.033 0.000 1.160 162 G CA 0.600 45.684 45.100 -0.027 0.000 0.770 162 G HN 1.642 nan 8.290 nan 0.000 0.543 163 G N -0.414 108.416 108.800 0.050 0.000 2.467 163 G HA2 0.193 4.138 3.960 -0.025 0.000 0.242 163 G HA3 0.193 4.138 3.960 -0.025 0.000 0.242 163 G C 0.554 175.586 174.900 0.221 0.000 1.127 163 G CA -0.111 45.090 45.100 0.168 0.000 0.924 163 G HN 0.974 nan 8.290 nan 0.000 0.499 164 G N -0.187 108.564 108.800 -0.082 0.000 2.353 164 G HA2 0.605 4.550 3.960 -0.025 0.000 0.239 164 G HA3 0.605 4.550 3.960 -0.025 0.000 0.239 164 G C 0.009 175.026 174.900 0.195 0.000 1.295 164 G CA 0.671 45.584 45.100 -0.311 0.000 0.884 164 G HN 1.841 nan 8.290 nan 0.000 0.537 165 Y N 0.384 120.778 120.300 0.156 0.000 2.638 165 Y HA 0.870 5.404 4.550 -0.026 0.000 0.339 165 Y C 0.284 176.338 175.900 0.258 0.000 1.084 165 Y CA -0.839 57.404 58.100 0.239 0.000 1.068 165 Y CB 1.376 40.003 38.460 0.279 0.000 1.294 165 Y HN 0.972 nan 8.280 nan 0.000 0.480 166 G N -0.423 108.406 108.800 0.049 0.000 2.588 166 G HA2 0.391 4.336 3.960 -0.025 0.000 0.281 166 G HA3 0.391 4.336 3.960 -0.025 0.000 0.281 166 G C -2.833 171.876 174.900 -0.319 0.000 1.223 166 G CA -0.868 44.093 45.100 -0.233 0.000 0.871 166 G HN 0.360 nan 8.290 nan 0.000 0.492 167 P HA 0.200 nan 4.420 nan 0.000 0.233 167 P C 1.298 178.426 177.300 -0.286 0.000 1.167 167 P CA 0.580 62.989 63.100 -1.151 0.000 0.770 167 P CB 0.227 31.285 31.700 -1.071 0.000 0.837 168 L N -1.738 119.438 121.223 -0.078 0.000 2.640 168 L HA 0.180 4.506 4.340 -0.025 0.000 0.230 168 L C 1.782 178.760 176.870 0.179 0.000 1.123 168 L CA 0.217 55.115 54.840 0.097 0.000 0.900 168 L CB -0.328 41.838 42.059 0.177 0.000 1.146 168 L HN -0.118 nan 8.230 nan 0.000 0.484 169 S N 0.255 116.065 115.700 0.183 0.000 2.402 169 S HA -0.108 4.348 4.470 -0.025 0.000 0.229 169 S C 2.000 176.678 174.600 0.130 0.000 1.021 169 S CA 1.119 59.456 58.200 0.229 0.000 0.974 169 S CB -0.096 63.309 63.200 0.342 0.000 0.800 169 S HN 0.405 nan 8.310 nan 0.000 0.484 170 R N 0.714 121.297 120.500 0.137 0.000 2.189 170 R HA 0.011 4.336 4.340 -0.025 0.000 0.223 170 R C 2.366 178.656 176.300 -0.016 0.000 1.092 170 R CA 0.921 57.072 56.100 0.084 0.000 0.989 170 R CB -0.067 30.354 30.300 0.201 0.000 0.876 170 R HN 0.432 nan 8.270 nan 0.000 0.457 171 Q N -1.398 118.337 119.800 -0.109 0.000 2.391 171 Q HA 0.051 4.376 4.340 -0.025 0.000 0.211 171 Q C 0.332 175.949 176.000 -0.640 0.000 0.908 171 Q CA 0.679 56.219 55.803 -0.437 0.000 0.920 171 Q CB 0.602 28.945 28.738 -0.659 0.000 1.056 171 Q HN 0.215 nan 8.270 nan 0.000 0.523 172 F N -1.660 118.355 119.950 0.108 0.000 2.876 172 F HA 0.407 4.919 4.527 -0.025 0.000 0.344 172 F C 0.814 176.777 175.800 0.273 0.000 1.029 172 F CA 0.451 58.574 58.000 0.204 0.000 1.154 172 F CB 1.286 40.390 39.000 0.174 0.000 1.040 172 F HN 0.088 nan 8.300 nan 0.000 0.576 173 G N 0.513 109.504 108.800 0.318 0.000 2.549 173 G HA2 -0.017 3.928 3.960 -0.025 0.000 0.404 173 G HA3 -0.017 3.928 3.960 -0.025 0.000 0.404 173 G C -0.544 174.529 174.900 0.288 0.000 1.292 173 G CA -0.523 44.709 45.100 0.221 0.000 0.935 173 G HN 0.264 nan 8.290 nan 0.000 0.512 174 S N -1.127 114.717 115.700 0.239 0.000 2.603 174 S HA 0.419 4.874 4.470 -0.025 0.000 0.268 174 S C 2.145 176.934 174.600 0.315 0.000 1.317 174 S CA 0.635 59.006 58.200 0.285 0.000 1.012 174 S CB 1.164 64.509 63.200 0.242 0.000 0.926 174 S HN 2.059 nan 8.310 nan 0.000 0.539 175 V N 3.329 123.416 119.914 0.288 0.000 2.568 175 V HA -0.109 3.996 4.120 -0.025 0.000 0.253 175 V C 2.052 178.304 176.094 0.263 0.000 1.072 175 V CA 2.076 64.550 62.300 0.290 0.000 1.084 175 V CB -1.770 30.164 31.823 0.185 0.000 0.676 175 V HN 0.880 nan 8.190 nan 0.000 0.469 176 V N -1.415 118.599 119.914 0.166 0.000 2.759 176 V HA -0.133 3.973 4.120 -0.025 0.000 0.256 176 V C 2.051 178.219 176.094 0.124 0.000 1.080 176 V CA 2.051 64.414 62.300 0.104 0.000 1.101 176 V CB -1.179 30.645 31.823 0.002 0.000 0.698 176 V HN 0.483 nan 8.190 nan 0.000 0.477 177 D N -0.497 119.964 120.400 0.102 0.000 2.371 177 D HA -0.045 4.580 4.640 -0.025 0.000 0.221 177 D C 1.250 177.439 176.300 -0.186 0.000 0.986 177 D CA 1.265 55.242 54.000 -0.038 0.000 0.899 177 D CB -0.050 40.666 40.800 -0.140 0.000 0.902 177 D HN 0.701 nan 8.370 nan 0.000 0.530 178 Y N -0.409 120.012 120.300 0.201 0.000 2.500 178 Y HA 0.217 4.752 4.550 -0.025 0.000 0.246 178 Y C 0.450 176.517 175.900 0.278 0.000 1.146 178 Y CA -0.691 57.536 58.100 0.212 0.000 1.230 178 Y CB 0.519 39.067 38.460 0.147 0.000 1.214 178 Y HN -0.160 nan 8.280 nan 0.000 0.526 179 L N 0.647 122.117 121.223 0.413 0.000 2.433 179 L HA 0.061 4.386 4.340 -0.025 0.000 0.284 179 L C 0.860 178.114 176.870 0.640 0.000 1.120 179 L CA 0.097 55.221 54.840 0.473 0.000 0.879 179 L CB -0.110 42.169 42.059 0.367 0.000 1.232 179 L HN 0.331 nan 8.230 nan 0.000 0.454 180 Y N 5.429 125.981 120.300 0.420 0.000 2.201 180 Y HA 0.445 4.981 4.550 -0.025 0.000 0.292 180 Y C 0.803 176.819 175.900 0.193 0.000 1.119 180 Y CA 0.847 59.098 58.100 0.251 0.000 1.127 180 Y CB 0.299 38.862 38.460 0.172 0.000 1.019 180 Y HN 0.622 nan 8.280 nan 0.000 0.514 181 A N -0.479 122.575 122.820 0.390 0.000 2.569 181 A HA 0.687 4.992 4.320 -0.025 0.000 0.290 181 A C -1.964 175.941 177.584 0.535 0.000 1.136 181 A CA -0.277 51.943 52.037 0.304 0.000 0.710 181 A CB 1.475 20.540 19.000 0.110 0.000 1.303 181 A HN 0.167 nan 8.150 nan 0.000 0.413 182 V N 0.013 120.150 119.914 0.372 0.000 2.777 182 V HA 0.533 4.638 4.120 -0.025 0.000 0.306 182 V C -1.072 175.068 176.094 0.077 0.000 1.112 182 V CA -0.379 61.996 62.300 0.125 0.000 0.917 182 V CB 1.772 33.498 31.823 -0.162 0.000 1.018 182 V HN 0.997 nan 8.190 nan 0.000 0.426 183 E N 4.661 124.859 120.200 -0.004 0.000 2.109 183 E HA 0.646 4.982 4.350 -0.025 0.000 0.278 183 E C -1.499 174.992 176.600 -0.182 0.000 0.954 183 E CA -0.385 56.011 56.400 -0.006 0.000 0.779 183 E CB 1.659 31.399 29.700 0.067 0.000 1.093 183 E HN 0.580 nan 8.360 nan 0.000 0.401 184 V N 4.292 124.105 119.914 -0.168 0.000 2.680 184 V HA 0.316 4.421 4.120 -0.025 0.000 0.309 184 V C -0.224 175.809 176.094 -0.101 0.000 1.052 184 V CA -1.003 61.185 62.300 -0.187 0.000 0.908 184 V CB 1.913 33.597 31.823 -0.233 0.000 1.001 184 V HN 0.448 nan 8.190 nan 0.000 0.431 185 V N 5.044 124.909 119.914 -0.082 0.000 2.383 185 V HA 0.531 4.637 4.120 -0.025 0.000 0.275 185 V C 0.061 176.168 176.094 0.020 0.000 1.036 185 V CA -0.281 62.010 62.300 -0.015 0.000 0.889 185 V CB 1.351 33.181 31.823 0.012 0.000 0.985 185 V HN 0.766 nan 8.190 nan 0.000 0.459 186 V N 3.550 123.515 119.914 0.084 0.000 3.046 186 V HA 0.819 4.925 4.120 -0.025 0.000 0.316 186 V C -0.514 175.700 176.094 0.200 0.000 1.104 186 V CA -0.850 61.556 62.300 0.177 0.000 1.006 186 V CB 2.207 34.153 31.823 0.205 0.000 1.058 186 V HN 0.415 nan 8.190 nan 0.000 0.440 187 V N 3.085 123.151 119.914 0.253 0.000 2.409 187 V HA 0.427 4.532 4.120 -0.025 0.000 0.291 187 V C 0.136 176.293 176.094 0.104 0.000 1.020 187 V CA -0.450 61.930 62.300 0.134 0.000 0.848 187 V CB 0.946 32.800 31.823 0.052 0.000 0.990 187 V HN 1.204 nan 8.190 nan 0.000 0.430 188 N N 3.385 122.120 118.700 0.058 0.000 2.424 188 N HA 0.213 4.938 4.740 -0.025 0.000 0.257 188 N C 1.081 176.603 175.510 0.019 0.000 1.250 188 N CA -0.491 52.582 53.050 0.038 0.000 0.946 188 N CB 0.685 39.187 38.487 0.026 0.000 1.175 188 N HN 0.696 nan 8.380 nan 0.000 0.477 189 K N -0.501 119.908 120.400 0.014 0.000 2.211 189 K HA -0.267 4.038 4.320 -0.025 0.000 0.204 189 K C 1.381 177.981 176.600 -0.001 0.000 1.047 189 K CA 1.472 57.763 56.287 0.007 0.000 0.935 189 K CB -0.130 32.373 32.500 0.004 0.000 0.728 189 K HN 0.491 nan 8.250 nan 0.000 0.452 190 Q N 0.171 119.969 119.800 -0.003 0.000 2.172 190 Q HA 0.076 4.401 4.340 -0.025 0.000 0.200 190 Q C 0.944 176.934 176.000 -0.017 0.000 0.964 190 Q CA 1.667 57.466 55.803 -0.007 0.000 0.855 190 Q CB 0.376 29.112 28.738 -0.003 0.000 0.918 190 Q HN 0.700 nan 8.270 nan 0.000 0.444 191 G N -0.511 108.274 108.800 -0.025 0.000 2.189 191 G HA2 -0.140 3.805 3.960 -0.025 0.000 0.113 191 G HA3 -0.140 3.805 3.960 -0.025 0.000 0.113 191 G C -0.444 174.422 174.900 -0.056 0.000 1.038 191 G CA -0.529 44.537 45.100 -0.058 0.000 0.704 191 G HN 0.067 nan 8.290 nan 0.000 0.490 192 K N -0.003 120.380 120.400 -0.027 0.000 2.259 192 K HA 0.779 5.084 4.320 -0.025 0.000 0.249 192 K C 0.438 177.041 176.600 0.004 0.000 0.942 192 K CA -0.223 56.056 56.287 -0.014 0.000 0.816 192 K CB 2.314 34.814 32.500 -0.001 0.000 1.155 192 K HN 0.477 nan 8.250 nan 0.000 0.428 193 A N 2.223 125.050 122.820 0.010 0.000 2.351 193 A HA 0.392 4.697 4.320 -0.025 0.000 0.257 193 A C -0.208 177.398 177.584 0.037 0.000 1.087 193 A CA 0.001 52.059 52.037 0.034 0.000 0.798 193 A CB 0.358 19.377 19.000 0.032 0.000 1.033 193 A HN 0.788 nan 8.150 nan 0.000 0.488 194 R N 0.972 121.500 120.500 0.047 0.000 2.584 194 R HA 0.516 4.842 4.340 -0.025 0.000 0.276 194 R C -2.117 174.198 176.300 0.024 0.000 1.046 194 R CA -0.471 55.651 56.100 0.037 0.000 0.906 194 R CB 1.985 32.311 30.300 0.044 0.000 1.215 194 R HN 0.522 nan 8.270 nan 0.000 0.449 195 V N 6.191 126.112 119.914 0.012 0.000 2.350 195 V HA 0.446 4.551 4.120 -0.025 0.000 0.276 195 V C 0.005 176.087 176.094 -0.020 0.000 1.028 195 V CA -0.383 61.917 62.300 -0.001 0.000 0.860 195 V CB 1.231 33.060 31.823 0.011 0.000 0.990 195 V HN 0.594 nan 8.190 nan 0.000 0.453 196 I N 5.071 125.607 120.570 -0.055 0.000 2.433 196 I HA 0.429 4.584 4.170 -0.025 0.000 0.292 196 I C -0.511 175.570 176.117 -0.060 0.000 1.001 196 I CA -0.881 60.355 61.300 -0.107 0.000 1.119 196 I CB 2.290 40.134 38.000 -0.259 0.000 1.289 196 I HN 0.248 nan 8.210 nan 0.000 0.438 197 V N 5.842 125.747 119.914 -0.015 0.000 2.304 197 V HA 0.472 4.577 4.120 -0.025 0.000 0.269 197 V C 0.480 176.576 176.094 0.005 0.000 1.036 197 V CA -0.484 61.831 62.300 0.024 0.000 0.840 197 V CB 0.957 32.779 31.823 -0.003 0.000 1.036 197 V HN 0.803 nan 8.190 nan 0.000 0.466 198 A N 4.273 127.101 122.820 0.012 0.000 2.260 198 A HA 0.758 5.064 4.320 -0.025 0.000 0.308 198 A C 0.516 178.095 177.584 -0.010 0.000 1.254 198 A CA -0.253 51.809 52.037 0.042 0.000 0.874 198 A CB 0.664 19.696 19.000 0.053 0.000 1.153 198 A HN 0.839 nan 8.150 nan 0.000 0.527 199 T N -0.567 113.889 114.554 -0.164 0.000 2.937 199 T HA 0.431 4.766 4.350 -0.025 0.000 0.283 199 T C 1.098 175.261 174.700 -0.896 0.000 1.012 199 T CA -0.537 61.236 62.100 -0.546 0.000 0.997 199 T CB 1.227 69.753 68.868 -0.570 0.000 1.136 199 T HN 0.642 nan 8.240 nan 0.000 0.551 200 R N 0.180 119.823 120.500 -1.429 0.000 2.090 200 R HA 0.030 4.355 4.340 -0.025 0.000 0.228 200 R C 0.382 176.211 176.300 -0.785 0.000 1.110 200 R CA 0.733 55.777 56.100 -1.759 0.000 0.973 200 R CB -0.210 29.368 30.300 -1.204 0.000 0.869 200 R HN 0.774 nan 8.270 nan 0.000 0.440 201 E N 0.075 119.990 120.200 -0.476 0.000 2.415 201 E HA -0.069 4.266 4.350 -0.025 0.000 0.262 201 E C 0.830 177.329 176.600 -0.168 0.000 1.038 201 E CA -0.044 56.221 56.400 -0.225 0.000 0.921 201 E CB 0.769 30.380 29.700 -0.149 0.000 0.950 201 E HN 0.221 nan 8.360 nan 0.000 0.438 202 R N 1.648 122.021 120.500 -0.211 0.000 2.148 202 R HA -0.094 4.231 4.340 -0.025 0.000 0.223 202 R C 1.306 177.484 176.300 -0.203 0.000 1.088 202 R CA 1.267 57.166 56.100 -0.336 0.000 0.985 202 R CB -0.110 30.012 30.300 -0.296 0.000 0.880 202 R HN 0.589 nan 8.270 nan 0.000 0.451 203 D N 0.431 120.753 120.400 -0.130 0.000 2.363 203 D HA -0.122 4.503 4.640 -0.025 0.000 0.220 203 D C -0.134 176.122 176.300 -0.073 0.000 0.994 203 D CA 0.329 54.275 54.000 -0.091 0.000 0.890 203 D CB -0.291 40.466 40.800 -0.071 0.000 0.906 203 D HN 0.094 nan 8.370 nan 0.000 0.530 204 D N 2.047 122.408 120.400 -0.065 0.000 2.425 204 D HA 0.003 4.629 4.640 -0.025 0.000 0.247 204 D C -1.140 175.150 176.300 -0.017 0.000 1.147 204 D CA -1.383 52.598 54.000 -0.032 0.000 0.879 204 D CB 2.104 42.890 40.800 -0.025 0.000 1.179 204 D HN -0.025 nan 8.370 nan 0.000 0.456 205 P HA -0.117 nan 4.420 nan 0.000 0.220 205 P C 0.369 177.534 177.300 -0.225 0.000 1.148 205 P CA 1.068 64.050 63.100 -0.196 0.000 0.803 205 P CB 0.249 31.750 31.700 -0.331 0.000 0.782 206 H N -1.229 117.923 119.070 0.136 0.000 2.539 206 H HA 0.093 4.634 4.556 -0.025 0.000 0.293 206 H C 1.618 177.051 175.328 0.176 0.000 1.156 206 H CA -0.241 55.925 56.048 0.198 0.000 1.012 206 H CB -0.747 29.116 29.762 0.169 0.000 1.600 206 H HN 0.356 nan 8.280 nan 0.000 0.538 207 H N 1.269 120.435 119.070 0.160 0.000 2.422 207 H HA -0.120 4.421 4.556 -0.024 0.000 0.298 207 H C 0.469 175.996 175.328 0.331 0.000 1.098 207 H CA 1.396 57.561 56.048 0.195 0.000 1.315 207 H CB 0.480 30.300 29.762 0.096 0.000 1.382 207 H HN 0.308 nan 8.280 nan 0.000 0.523 208 D N 0.731 121.265 120.400 0.225 0.000 2.144 208 D HA -0.115 4.510 4.640 -0.025 0.000 0.199 208 D C 2.513 178.857 176.300 0.074 0.000 0.984 208 D CA 0.462 54.553 54.000 0.152 0.000 0.834 208 D CB -0.250 40.672 40.800 0.203 0.000 0.955 208 D HN 0.333 nan 8.370 nan 0.000 0.465 209 L N -0.563 120.646 121.223 -0.024 0.000 2.056 209 L HA -0.117 4.209 4.340 -0.025 0.000 0.207 209 L C 2.113 178.948 176.870 -0.059 0.000 1.078 209 L CA 1.034 55.689 54.840 -0.309 0.000 0.749 209 L CB -0.163 41.523 42.059 -0.621 0.000 0.901 209 L HN 0.268 nan 8.230 nan 0.000 0.433 210 W N -0.229 120.997 121.300 -0.122 0.000 2.355 210 W HA -0.280 4.365 4.660 -0.023 0.000 0.309 210 W C 2.271 178.765 176.519 -0.041 0.000 1.206 210 W CA 1.476 58.774 57.345 -0.079 0.000 1.284 210 W CB -0.874 28.516 29.460 -0.117 0.000 1.145 210 W HN 0.266 nan 8.180 nan 0.000 0.502 211 W N 1.442 122.427 121.300 -0.524 0.000 2.363 211 W HA -0.174 4.471 4.660 -0.024 0.000 0.296 211 W C 2.343 178.516 176.519 -0.576 0.000 1.212 211 W CA 3.233 60.099 57.345 -0.799 0.000 1.260 211 W CB -0.665 28.538 29.460 -0.429 0.000 1.131 211 W HN 0.004 nan 8.180 nan 0.000 0.530 212 A N -1.085 121.543 122.820 -0.320 0.000 2.070 212 A HA -0.198 4.108 4.320 -0.025 0.000 0.220 212 A C 1.115 178.265 177.584 -0.724 0.000 1.159 212 A CA 1.834 53.473 52.037 -0.663 0.000 0.656 212 A CB -0.999 17.252 19.000 -1.249 0.000 0.800 212 A HN 0.547 nan 8.150 nan 0.000 0.453 213 H N -0.812 117.956 119.070 -0.503 0.000 2.529 213 H HA 0.122 4.663 4.556 -0.024 0.000 0.277 213 H C 1.072 176.214 175.328 -0.310 0.000 1.004 213 H CA 0.902 56.790 56.048 -0.266 0.000 1.167 213 H CB 0.235 29.919 29.762 -0.131 0.000 1.445 213 H HN 0.489 nan 8.280 nan 0.000 0.554 214 T N -2.104 112.141 114.554 -0.514 0.000 3.332 214 T HA 0.369 4.704 4.350 -0.025 0.000 0.246 214 T C 1.354 175.846 174.700 -0.347 0.000 0.943 214 T CA 0.167 61.969 62.100 -0.497 0.000 0.922 214 T CB -0.391 67.988 68.868 -0.816 0.000 1.086 214 T HN 0.428 nan 8.240 nan 0.000 0.590 215 G N -0.352 108.331 108.800 -0.195 0.000 2.147 215 G HA2 -0.059 3.886 3.960 -0.025 0.000 0.128 215 G HA3 -0.059 3.886 3.960 -0.025 0.000 0.128 215 G C 0.758 175.669 174.900 0.019 0.000 1.026 215 G CA -0.274 44.796 45.100 -0.050 0.000 0.693 215 G HN 0.804 nan 8.290 nan 0.000 0.499 216 G N -0.021 108.751 108.800 -0.046 0.000 2.880 216 G HA2 0.569 4.514 3.960 -0.025 0.000 0.209 216 G HA3 0.569 4.514 3.960 -0.025 0.000 0.209 216 G C 1.229 176.266 174.900 0.228 0.000 1.157 216 G CA 1.360 46.509 45.100 0.081 0.000 0.779 216 G HN 2.018 nan 8.290 nan 0.000 0.539 217 G N -1.310 107.580 108.800 0.150 0.000 2.722 217 G HA2 0.386 4.332 3.960 -0.025 0.000 0.686 217 G HA3 0.386 4.332 3.960 -0.025 0.000 0.686 217 G C 0.323 175.269 174.900 0.076 0.000 1.282 217 G CA -0.359 44.808 45.100 0.111 0.000 0.817 217 G HN 0.968 nan 8.290 nan 0.000 0.605 218 G N -0.798 108.047 108.800 0.074 0.000 2.537 218 G HA2 0.725 4.670 3.960 -0.025 0.000 0.273 218 G HA3 0.725 4.670 3.960 -0.025 0.000 0.273 218 G C 1.363 176.299 174.900 0.059 0.000 1.189 218 G CA 1.078 46.221 45.100 0.071 0.000 0.881 218 G HN 2.564 nan 8.290 nan 0.000 0.535 219 G N -0.457 108.354 108.800 0.018 0.000 2.149 219 G HA2 -0.263 3.682 3.960 -0.025 0.000 0.235 219 G HA3 -0.263 3.682 3.960 -0.025 0.000 0.235 219 G C 0.514 175.352 174.900 -0.103 0.000 1.018 219 G CA 0.713 45.846 45.100 0.055 0.000 0.728 219 G HN 0.772 nan 8.290 nan 0.000 0.508 220 N N -1.400 117.094 118.700 -0.344 0.000 2.677 220 N HA 0.325 5.050 4.740 -0.025 0.000 0.242 220 N C 1.378 176.540 175.510 -0.579 0.000 1.044 220 N CA 0.407 53.054 53.050 -0.672 0.000 0.934 220 N CB 0.137 37.809 38.487 -1.358 0.000 1.595 220 N HN 0.234 nan 8.380 nan 0.000 0.459 221 F N -0.082 119.806 119.950 -0.104 0.000 2.678 221 F HA 0.536 5.049 4.527 -0.024 0.000 0.291 221 F C 1.194 176.862 175.800 -0.219 0.000 1.123 221 F CA 0.123 58.083 58.000 -0.067 0.000 1.395 221 F CB 0.580 39.529 39.000 -0.084 0.000 1.121 221 F HN 0.048 nan 8.300 nan 0.000 0.592 222 G N -0.267 108.241 108.800 -0.487 0.000 2.345 222 G HA2 0.314 4.260 3.960 -0.025 0.000 0.285 222 G HA3 0.314 4.260 3.960 -0.025 0.000 0.285 222 G C -1.974 172.507 174.900 -0.698 0.000 1.297 222 G CA -0.922 43.532 45.100 -1.075 0.000 0.875 222 G HN -0.179 nan 8.290 nan 0.000 0.506 223 V N 0.877 120.507 119.914 -0.472 0.000 2.364 223 V HA 0.454 4.560 4.120 -0.025 0.000 0.272 223 V C 0.682 176.680 176.094 -0.161 0.000 1.036 223 V CA -0.631 61.546 62.300 -0.206 0.000 0.880 223 V CB 1.069 32.854 31.823 -0.064 0.000 0.991 223 V HN 0.668 nan 8.190 nan 0.000 0.460 224 V N 5.435 125.252 119.914 -0.162 0.000 2.479 224 V HA 0.131 4.237 4.120 -0.025 0.000 0.281 224 V C 1.414 177.357 176.094 -0.252 0.000 1.031 224 V CA 0.781 62.909 62.300 -0.287 0.000 1.038 224 V CB 1.043 32.615 31.823 -0.418 0.000 0.981 224 V HN 1.093 nan 8.190 nan 0.000 0.478 225 T N 1.406 115.804 114.554 -0.259 0.000 2.990 225 T HA 0.331 4.667 4.350 -0.025 0.000 0.250 225 T C 0.400 174.938 174.700 -0.270 0.000 1.041 225 T CA -0.066 61.917 62.100 -0.195 0.000 1.010 225 T CB 0.332 69.128 68.868 -0.119 0.000 1.003 225 T HN 0.505 nan 8.240 nan 0.000 0.499 226 K N -0.048 120.099 120.400 -0.422 0.000 2.546 226 K HA 0.554 4.859 4.320 -0.025 0.000 0.264 226 K C -2.146 174.049 176.600 -0.675 0.000 0.937 226 K CA -0.698 55.238 56.287 -0.585 0.000 0.833 226 K CB 2.439 34.413 32.500 -0.876 0.000 1.378 226 K HN 0.132 nan 8.250 nan 0.000 0.432 227 Y N 0.785 120.833 120.300 -0.420 0.000 2.364 227 Y HA 0.386 4.921 4.550 -0.025 0.000 0.340 227 Y C -0.633 175.107 175.900 -0.267 0.000 0.975 227 Y CA -0.659 57.319 58.100 -0.204 0.000 1.089 227 Y CB 1.491 39.914 38.460 -0.062 0.000 1.192 227 Y HN 0.328 nan 8.280 nan 0.000 0.454 228 W N 5.871 127.349 121.300 0.297 0.000 2.361 228 W HA 0.417 5.062 4.660 -0.024 0.000 0.314 228 W C -1.138 175.575 176.519 0.323 0.000 1.041 228 W CA -1.002 56.503 57.345 0.267 0.000 1.241 228 W CB 1.727 31.339 29.460 0.254 0.000 1.279 228 W HN 0.347 nan 8.180 nan 0.000 0.436 229 M N 4.349 124.231 119.600 0.470 0.000 2.227 229 M HA 0.518 4.983 4.480 -0.025 0.000 0.335 229 M C -0.234 176.306 176.300 0.399 0.000 1.053 229 M CA -0.630 54.909 55.300 0.399 0.000 0.973 229 M CB 1.954 34.711 32.600 0.262 0.000 1.623 229 M HN 0.393 nan 8.290 nan 0.000 0.434 230 R N 0.935 121.673 120.500 0.397 0.000 2.594 230 R HA 0.512 4.838 4.340 -0.025 0.000 0.265 230 R C -1.645 174.883 176.300 0.381 0.000 1.070 230 R CA -0.618 55.669 56.100 0.313 0.000 0.909 230 R CB 2.827 33.206 30.300 0.131 0.000 1.243 230 R HN 0.551 nan 8.270 nan 0.000 0.455 231 V N 5.576 125.697 119.914 0.345 0.000 2.572 231 V HA 0.145 4.250 4.120 -0.025 0.000 0.291 231 V C -1.655 174.551 176.094 0.187 0.000 1.039 231 V CA -1.437 61.073 62.300 0.350 0.000 1.055 231 V CB 1.531 33.543 31.823 0.314 0.000 0.969 231 V HN 0.737 nan 8.190 nan 0.000 0.482 232 P HA -0.104 nan 4.420 nan 0.000 0.216 232 P C 0.053 177.406 177.300 0.088 0.000 1.153 232 P CA 0.966 64.133 63.100 0.111 0.000 0.858 232 P CB 0.155 31.897 31.700 0.070 0.000 0.789 233 E N 0.089 120.337 120.200 0.079 0.000 2.398 233 E HA 0.094 4.430 4.350 -0.025 0.000 0.263 233 E C 0.068 176.698 176.600 0.050 0.000 1.046 233 E CA -0.073 56.364 56.400 0.062 0.000 0.908 233 E CB -0.264 29.475 29.700 0.065 0.000 0.963 233 E HN 0.025 nan 8.360 nan 0.000 0.431 234 D N 1.770 122.190 120.400 0.034 0.000 2.342 234 D HA 0.019 4.644 4.640 -0.025 0.000 0.260 234 D C -0.007 176.306 176.300 0.021 0.000 1.278 234 D CA -0.169 53.842 54.000 0.018 0.000 0.910 234 D CB 0.464 41.270 40.800 0.011 0.000 1.079 234 D HN 0.240 nan 8.370 nan 0.000 0.496 235 V N 1.945 121.871 119.914 0.020 0.000 3.121 235 V HA 0.600 4.705 4.120 -0.025 0.000 0.344 235 V C 1.093 177.192 176.094 0.007 0.000 1.390 235 V CA 0.158 62.470 62.300 0.021 0.000 1.177 235 V CB -0.459 31.385 31.823 0.036 0.000 1.163 235 V HN 0.713 nan 8.190 nan 0.000 0.484 236 G N 2.089 110.888 108.800 -0.001 0.000 2.598 236 G HA2 -0.242 3.703 3.960 -0.025 0.000 0.244 236 G HA3 -0.242 3.703 3.960 -0.025 0.000 0.244 236 G C 0.471 175.364 174.900 -0.013 0.000 1.302 236 G CA 0.288 45.384 45.100 -0.007 0.000 0.903 236 G HN 0.398 nan 8.290 nan 0.000 0.575 237 R N 0.720 121.213 120.500 -0.011 0.000 2.310 237 R HA 0.093 4.418 4.340 -0.025 0.000 0.202 237 R C 1.062 177.330 176.300 -0.053 0.000 0.933 237 R CA 0.023 56.119 56.100 -0.006 0.000 1.054 237 R CB -0.603 29.706 30.300 0.015 0.000 0.985 237 R HN 0.551 nan 8.270 nan 0.000 0.489 238 N N 2.676 121.345 118.700 -0.052 0.000 2.427 238 N HA -0.002 4.723 4.740 -0.025 0.000 0.269 238 N C -1.837 173.605 175.510 -0.114 0.000 1.235 238 N CA -1.196 51.811 53.050 -0.072 0.000 0.934 238 N CB 1.211 39.682 38.487 -0.026 0.000 1.121 238 N HN -0.087 nan 8.380 nan 0.000 0.480 239 P HA -0.044 nan 4.420 nan 0.000 0.222 239 P C 0.360 177.664 177.300 0.006 0.000 1.153 239 P CA 0.965 63.846 63.100 -0.366 0.000 0.798 239 P CB 0.306 31.501 31.700 -0.842 0.000 0.796 240 E N -0.646 119.591 120.200 0.061 0.000 2.418 240 E HA -0.078 4.257 4.350 -0.025 0.000 0.197 240 E C 1.754 178.390 176.600 0.060 0.000 1.026 240 E CA 0.458 56.926 56.400 0.114 0.000 0.862 240 E CB -0.127 29.630 29.700 0.094 0.000 0.799 240 E HN 0.094 nan 8.360 nan 0.000 0.518 241 R N 0.086 120.613 120.500 0.044 0.000 2.280 241 R HA 0.141 4.467 4.340 -0.025 0.000 0.195 241 R C 1.872 178.209 176.300 0.062 0.000 0.935 241 R CA 0.111 56.235 56.100 0.040 0.000 1.033 241 R CB 0.191 30.511 30.300 0.032 0.000 0.964 241 R HN 0.099 nan 8.270 nan 0.000 0.489 242 L N -0.287 120.998 121.223 0.103 0.000 2.376 242 L HA 0.049 4.374 4.340 -0.025 0.000 0.219 242 L C 0.250 177.209 176.870 0.148 0.000 1.133 242 L CA 0.803 55.739 54.840 0.160 0.000 0.816 242 L CB -0.005 42.190 42.059 0.226 0.000 0.933 242 L HN 0.064 nan 8.230 nan 0.000 0.449 243 L N -1.662 119.568 121.223 0.012 0.000 2.376 243 L HA 0.445 4.770 4.340 -0.025 0.000 0.258 243 L C -2.416 174.250 176.870 -0.340 0.000 1.013 243 L CA -2.130 52.581 54.840 -0.214 0.000 0.822 243 L CB 2.041 43.888 42.059 -0.354 0.000 1.388 243 L HN -0.345 nan 8.230 nan 0.000 0.413 244 P HA -0.068 nan 4.420 nan 0.000 0.261 244 P C -1.097 175.799 177.300 -0.674 0.000 1.173 244 P CA 0.166 62.699 63.100 -0.944 0.000 0.760 244 P CB 0.317 30.972 31.700 -1.742 0.000 0.783 245 K N 5.979 126.109 120.400 -0.451 0.000 2.285 245 K HA 0.236 4.541 4.320 -0.025 0.000 0.286 245 K C -2.148 174.288 176.600 -0.272 0.000 1.072 245 K CA -2.026 54.114 56.287 -0.244 0.000 0.913 245 K CB 0.208 32.661 32.500 -0.078 0.000 1.067 245 K HN 0.301 nan 8.250 nan 0.000 0.479 246 P HA 0.144 nan 4.420 nan 0.000 0.271 246 P C -2.637 174.405 177.300 -0.431 0.000 1.216 246 P CA -1.392 61.279 63.100 -0.715 0.000 0.776 246 P CB 0.097 30.977 31.700 -1.366 0.000 0.881 247 P HA 0.019 nan 4.420 nan 0.000 0.264 247 P C 0.853 178.118 177.300 -0.058 0.000 1.193 247 P CA 0.224 63.247 63.100 -0.129 0.000 0.763 247 P CB 0.268 31.930 31.700 -0.064 0.000 0.810 248 A N 3.417 126.256 122.820 0.032 0.000 1.908 248 A HA -0.052 4.253 4.320 -0.025 0.000 0.218 248 A C 0.959 178.627 177.584 0.140 0.000 1.181 248 A CA 1.966 54.073 52.037 0.117 0.000 0.627 248 A CB -1.094 17.963 19.000 0.096 0.000 0.818 248 A HN 0.613 nan 8.150 nan 0.000 0.445 249 T N -3.089 111.525 114.554 0.101 0.000 2.893 249 T HA 0.639 4.974 4.350 -0.025 0.000 0.291 249 T C -0.842 173.918 174.700 0.100 0.000 1.028 249 T CA -0.793 61.368 62.100 0.102 0.000 0.995 249 T CB 1.671 70.581 68.868 0.071 0.000 1.051 249 T HN -0.020 nan 8.240 nan 0.000 0.470 250 L N 2.932 124.221 121.223 0.110 0.000 2.305 250 L HA 0.475 4.800 4.340 -0.025 0.000 0.284 250 L C -0.563 176.352 176.870 0.075 0.000 1.013 250 L CA -0.878 54.026 54.840 0.107 0.000 0.819 250 L CB 1.469 43.614 42.059 0.143 0.000 1.227 250 L HN 0.725 nan 8.230 nan 0.000 0.417 251 L N 4.879 126.142 121.223 0.066 0.000 2.363 251 L HA 0.301 4.626 4.340 -0.025 0.000 0.286 251 L C 0.443 177.346 176.870 0.056 0.000 1.106 251 L CA 0.205 55.076 54.840 0.052 0.000 0.859 251 L CB 0.688 42.773 42.059 0.043 0.000 1.223 251 L HN 0.737 nan 8.230 nan 0.000 0.446 252 T N 0.957 115.539 114.554 0.047 0.000 2.855 252 T HA 0.757 5.093 4.350 -0.025 0.000 0.281 252 T C -0.180 174.537 174.700 0.028 0.000 1.007 252 T CA -0.786 61.343 62.100 0.048 0.000 1.009 252 T CB 1.669 70.564 68.868 0.046 0.000 0.983 252 T HN 0.514 nan 8.240 nan 0.000 0.455 253 S N 0.926 116.642 115.700 0.026 0.000 2.533 253 S HA 0.630 5.085 4.470 -0.025 0.000 0.271 253 S C -1.266 173.331 174.600 -0.006 0.000 1.143 253 S CA -0.658 57.544 58.200 0.003 0.000 0.891 253 S CB 1.654 64.853 63.200 -0.001 0.000 1.105 253 S HN 0.889 nan 8.310 nan 0.000 0.468 254 T N 3.371 117.907 114.554 -0.030 0.000 2.815 254 T HA 0.452 4.787 4.350 -0.025 0.000 0.289 254 T C -0.710 173.926 174.700 -0.106 0.000 1.000 254 T CA -0.445 61.626 62.100 -0.047 0.000 0.958 254 T CB 1.215 70.063 68.868 -0.033 0.000 0.944 254 T HN 0.474 nan 8.240 nan 0.000 0.442 255 V N 4.465 124.287 119.914 -0.154 0.000 2.406 255 V HA 0.341 4.446 4.120 -0.025 0.000 0.272 255 V C 0.663 176.446 176.094 -0.518 0.000 1.043 255 V CA -0.492 61.601 62.300 -0.345 0.000 0.915 255 V CB 1.034 32.621 31.823 -0.393 0.000 0.988 255 V HN 0.950 nan 8.190 nan 0.000 0.466 256 T N 5.841 120.080 114.554 -0.524 0.000 2.875 256 T HA 0.675 5.011 4.350 -0.025 0.000 0.284 256 T C -0.604 173.644 174.700 -0.753 0.000 0.995 256 T CA -0.032 61.811 62.100 -0.430 0.000 1.060 256 T CB 0.708 69.459 68.868 -0.195 0.000 0.967 256 T HN 0.320 nan 8.240 nan 0.000 0.476 257 F N 0.935 120.757 119.950 -0.214 0.000 2.520 257 F HA 0.421 4.934 4.527 -0.024 0.000 0.322 257 F C 0.195 175.786 175.800 -0.349 0.000 1.103 257 F CA -1.256 56.478 58.000 -0.443 0.000 0.926 257 F CB 1.620 39.988 39.000 -1.054 0.000 1.154 257 F HN 0.446 nan 8.300 nan 0.000 0.453 258 D N 1.724 122.066 120.400 -0.096 0.000 2.274 258 D HA 0.177 4.802 4.640 -0.025 0.000 0.239 258 D C 0.275 176.590 176.300 0.024 0.000 1.104 258 D CA -0.322 53.676 54.000 -0.003 0.000 0.840 258 D CB 0.802 41.618 40.800 0.028 0.000 1.100 258 D HN 0.493 nan 8.370 nan 0.000 0.477 259 W N 3.100 124.487 121.300 0.145 0.000 2.363 259 W HA -0.116 4.534 4.660 -0.018 0.000 0.296 259 W C 2.322 178.905 176.519 0.105 0.000 1.212 259 W CA 0.774 58.218 57.345 0.165 0.000 1.260 259 W CB -0.033 29.527 29.460 0.167 0.000 1.131 259 W HN 0.623 nan 8.180 nan 0.000 0.530 260 A N -0.028 122.977 122.820 0.308 0.000 1.978 260 A HA -0.091 4.214 4.320 -0.025 0.000 0.220 260 A C 2.112 179.786 177.584 0.149 0.000 1.170 260 A CA 1.863 54.015 52.037 0.191 0.000 0.636 260 A CB -1.241 17.838 19.000 0.132 0.000 0.810 260 A HN 0.313 nan 8.150 nan 0.000 0.448 261 G N -2.280 106.596 108.800 0.127 0.000 3.126 261 G HA2 0.356 4.301 3.960 -0.025 0.000 0.224 261 G HA3 0.356 4.301 3.960 -0.025 0.000 0.224 261 G C 0.375 175.334 174.900 0.098 0.000 1.142 261 G CA 0.017 45.171 45.100 0.090 0.000 0.759 261 G HN 0.337 nan 8.290 nan 0.000 0.550 262 M N 3.559 123.249 119.600 0.150 0.000 2.319 262 M HA 0.306 4.771 4.480 -0.025 0.000 0.343 262 M C 0.834 177.300 176.300 0.276 0.000 1.364 262 M CA -0.470 54.931 55.300 0.167 0.000 1.292 262 M CB 0.003 32.681 32.600 0.129 0.000 1.432 262 M HN 0.116 nan 8.290 nan 0.000 0.448 263 T N -0.379 114.279 114.554 0.173 0.000 2.824 263 T HA 0.273 4.609 4.350 -0.025 0.000 0.277 263 T C 0.964 175.651 174.700 -0.021 0.000 0.975 263 T CA -0.597 61.587 62.100 0.140 0.000 0.966 263 T CB 0.797 69.704 68.868 0.065 0.000 1.054 263 T HN 0.704 nan 8.240 nan 0.000 0.533 264 E N 0.221 120.244 120.200 -0.295 0.000 2.077 264 E HA -0.160 4.176 4.350 -0.025 0.000 0.193 264 E C 2.317 178.758 176.600 -0.264 0.000 0.989 264 E CA 1.127 57.084 56.400 -0.739 0.000 0.800 264 E CB -0.529 28.810 29.700 -0.602 0.000 0.746 264 E HN 0.766 nan 8.360 nan 0.000 0.452 265 A N 1.147 123.892 122.820 -0.125 0.000 1.902 265 A HA -0.105 4.200 4.320 -0.025 0.000 0.217 265 A C 2.372 179.932 177.584 -0.039 0.000 1.181 265 A CA 1.835 53.836 52.037 -0.061 0.000 0.623 265 A CB -0.710 18.268 19.000 -0.036 0.000 0.818 265 A HN 0.407 nan 8.150 nan 0.000 0.443 266 A N -1.651 121.158 122.820 -0.019 0.000 1.969 266 A HA 0.037 4.342 4.320 -0.025 0.000 0.218 266 A C 2.019 179.591 177.584 -0.020 0.000 1.169 266 A CA 1.445 53.471 52.037 -0.018 0.000 0.635 266 A CB -0.602 18.398 19.000 -0.000 0.000 0.810 266 A HN 0.624 nan 8.150 nan 0.000 0.445 267 F N 1.050 120.925 119.950 -0.125 0.000 2.163 267 F HA -0.089 4.426 4.527 -0.021 0.000 0.297 267 F C 2.540 178.295 175.800 -0.074 0.000 1.094 267 F CA 1.785 59.738 58.000 -0.078 0.000 1.290 267 F CB -0.215 38.806 39.000 0.034 0.000 1.017 267 F HN 0.188 nan 8.300 nan 0.000 0.483 268 S N 0.232 115.940 115.700 0.013 0.000 2.382 268 S HA -0.219 4.237 4.470 -0.025 0.000 0.228 268 S C 1.962 176.499 174.600 -0.105 0.000 1.027 268 S CA 1.363 59.536 58.200 -0.045 0.000 0.991 268 S CB -0.387 62.807 63.200 -0.009 0.000 0.823 268 S HN 0.287 nan 8.310 nan 0.000 0.469 269 R N 1.289 121.731 120.500 -0.097 0.000 2.073 269 R HA 0.015 4.340 4.340 -0.025 0.000 0.234 269 R C 2.133 178.357 176.300 -0.126 0.000 1.134 269 R CA 1.124 57.170 56.100 -0.089 0.000 0.952 269 R CB -0.932 29.327 30.300 -0.069 0.000 0.850 269 R HN 0.361 nan 8.270 nan 0.000 0.433 270 L N -0.061 121.037 121.223 -0.208 0.000 1.989 270 L HA -0.101 4.225 4.340 -0.025 0.000 0.211 270 L C 1.871 178.609 176.870 -0.220 0.000 1.071 270 L CA 1.710 56.392 54.840 -0.263 0.000 0.749 270 L CB -0.571 41.210 42.059 -0.462 0.000 0.890 270 L HN 0.247 nan 8.230 nan 0.000 0.431 271 L N -0.699 120.341 121.223 -0.306 0.000 2.131 271 L HA -0.147 4.178 4.340 -0.025 0.000 0.210 271 L C 2.681 179.532 176.870 -0.032 0.000 1.092 271 L CA 1.524 56.246 54.840 -0.196 0.000 0.759 271 L CB -0.660 41.215 42.059 -0.306 0.000 0.903 271 L HN 0.193 nan 8.230 nan 0.000 0.435 272 R N -0.509 119.960 120.500 -0.052 0.000 2.062 272 R HA -0.130 4.195 4.340 -0.025 0.000 0.231 272 R C 2.109 178.423 176.300 0.023 0.000 1.136 272 R CA 1.791 57.888 56.100 -0.006 0.000 0.948 272 R CB -0.496 29.792 30.300 -0.019 0.000 0.845 272 R HN 0.497 nan 8.270 nan 0.000 0.430 273 N N -0.427 118.275 118.700 0.004 0.000 2.061 273 N HA -0.243 4.482 4.740 -0.025 0.000 0.193 273 N C 1.935 177.491 175.510 0.077 0.000 1.030 273 N CA 1.288 54.350 53.050 0.020 0.000 0.856 273 N CB -0.253 38.220 38.487 -0.024 0.000 1.023 273 N HN 0.320 nan 8.380 nan 0.000 0.424 274 H N 0.331 119.395 119.070 -0.011 0.000 2.321 274 H HA -0.058 4.484 4.556 -0.024 0.000 0.300 274 H C 2.083 177.554 175.328 0.237 0.000 1.087 274 H CA 1.851 57.941 56.048 0.071 0.000 1.319 274 H CB -0.357 29.407 29.762 0.004 0.000 1.379 274 H HN 0.265 nan 8.280 nan 0.000 0.501 275 G N 0.496 109.385 108.800 0.148 0.000 2.421 275 G HA2 -0.237 3.709 3.960 -0.025 0.000 0.216 275 G HA3 -0.237 3.709 3.960 -0.025 0.000 0.216 275 G C 1.689 176.651 174.900 0.102 0.000 1.171 275 G CA 0.689 45.856 45.100 0.112 0.000 0.775 275 G HN 0.491 nan 8.290 nan 0.000 0.543 276 E N -0.791 119.460 120.200 0.084 0.000 2.110 276 E HA -0.167 4.168 4.350 -0.025 0.000 0.193 276 E C 2.040 178.667 176.600 0.046 0.000 0.988 276 E CA 0.783 57.215 56.400 0.054 0.000 0.804 276 E CB -0.214 29.510 29.700 0.039 0.000 0.745 276 E HN 0.656 nan 8.360 nan 0.000 0.458 277 W N 0.127 121.357 121.300 -0.117 0.000 2.358 277 W HA -0.212 4.433 4.660 -0.025 0.000 0.303 277 W C 1.544 177.914 176.519 -0.248 0.000 1.208 277 W CA 1.340 58.556 57.345 -0.214 0.000 1.274 277 W CB -0.222 29.059 29.460 -0.299 0.000 1.138 277 W HN 0.073 nan 8.180 nan 0.000 0.515 278 Y N 0.590 120.942 120.300 0.088 0.000 2.516 278 Y HA -0.078 4.458 4.550 -0.023 0.000 0.291 278 Y C 2.232 178.079 175.900 -0.088 0.000 1.131 278 Y CA 1.675 59.773 58.100 -0.002 0.000 1.281 278 Y CB -0.464 38.010 38.460 0.023 0.000 1.013 278 Y HN 0.057 nan 8.280 nan 0.000 0.554 279 E N -0.217 120.007 120.200 0.040 0.000 2.208 279 E HA -0.114 4.221 4.350 -0.025 0.000 0.193 279 E C 1.432 177.980 176.600 -0.086 0.000 0.988 279 E CA 0.779 57.178 56.400 -0.002 0.000 0.828 279 E CB 0.058 29.761 29.700 0.005 0.000 0.763 279 E HN 0.401 nan 8.360 nan 0.000 0.478 280 R N -0.366 120.010 120.500 -0.206 0.000 2.535 280 R HA 0.209 4.535 4.340 -0.025 0.000 0.323 280 R C 0.442 176.497 176.300 -0.409 0.000 0.979 280 R CA -0.030 55.918 56.100 -0.254 0.000 1.120 280 R CB 0.661 30.827 30.300 -0.224 0.000 1.306 280 R HN -0.016 nan 8.270 nan 0.000 0.540 281 N N -0.554 117.801 118.700 -0.574 0.000 2.167 281 N HA 0.086 4.812 4.740 -0.025 0.000 0.234 281 N C -0.249 175.017 175.510 -0.406 0.000 1.312 281 N CA 0.096 52.705 53.050 -0.735 0.000 0.861 281 N CB 1.600 38.978 38.487 -1.848 0.000 1.217 281 N HN -0.122 nan 8.380 nan 0.000 0.504 282 S N 0.266 115.851 115.700 -0.191 0.000 2.573 282 S HA 0.233 4.688 4.470 -0.025 0.000 0.244 282 S C 0.987 175.579 174.600 -0.012 0.000 0.984 282 S CA -0.587 57.606 58.200 -0.011 0.000 1.001 282 S CB 0.445 63.718 63.200 0.122 0.000 0.788 282 S HN 0.315 nan 8.310 nan 0.000 0.456 283 G N 2.889 111.662 108.800 -0.046 0.000 2.569 283 G HA2 0.305 4.250 3.960 -0.025 0.000 0.249 283 G HA3 0.305 4.250 3.960 -0.025 0.000 0.249 283 G C -1.287 173.604 174.900 -0.016 0.000 1.216 283 G CA -1.111 43.972 45.100 -0.029 0.000 0.845 283 G HN 0.116 nan 8.290 nan 0.000 0.568 284 P HA -0.009 nan 4.420 nan 0.000 0.221 284 P C 0.393 177.684 177.300 -0.017 0.000 1.150 284 P CA 1.062 64.154 63.100 -0.013 0.000 0.800 284 P CB 0.566 32.261 31.700 -0.007 0.000 0.787 285 D N -0.699 119.691 120.400 -0.017 0.000 2.501 285 D HA 0.077 4.702 4.640 -0.025 0.000 0.226 285 D C 0.243 176.530 176.300 -0.022 0.000 1.198 285 D CA 0.049 54.038 54.000 -0.019 0.000 0.830 285 D CB 0.581 41.372 40.800 -0.015 0.000 1.014 285 D HN 0.067 nan 8.370 nan 0.000 0.496 286 S N 1.507 117.197 115.700 -0.017 0.000 2.580 286 S HA 0.194 4.649 4.470 -0.025 0.000 0.274 286 S C -1.734 172.854 174.600 -0.020 0.000 1.329 286 S CA -1.091 57.107 58.200 -0.004 0.000 1.036 286 S CB 1.454 64.659 63.200 0.010 0.000 0.919 286 S HN -0.140 nan 8.310 nan 0.000 0.515 287 P HA 0.089 nan 4.420 nan 0.000 0.242 287 P C -0.551 176.566 177.300 -0.305 0.000 1.197 287 P CA 0.702 63.682 63.100 -0.199 0.000 0.765 287 P CB -0.136 31.392 31.700 -0.287 0.000 0.936 288 Y N -1.117 119.173 120.300 -0.016 0.000 2.658 288 Y HA 0.078 4.613 4.550 -0.024 0.000 0.276 288 Y C 1.943 177.869 175.900 0.043 0.000 1.167 288 Y CA 0.136 58.260 58.100 0.041 0.000 1.230 288 Y CB -0.737 37.754 38.460 0.051 0.000 1.144 288 Y HN -0.002 nan 8.280 nan 0.000 0.529 289 T N -4.405 110.200 114.554 0.086 0.000 2.951 289 T HA -0.076 4.259 4.350 -0.025 0.000 0.268 289 T C 2.121 176.840 174.700 0.032 0.000 1.073 289 T CA 1.178 63.304 62.100 0.044 0.000 1.134 289 T CB -0.299 68.543 68.868 -0.043 0.000 0.884 289 T HN 0.430 nan 8.240 nan 0.000 0.479 290 G N 0.486 109.297 108.800 0.018 0.000 2.920 290 G HA2 0.364 4.309 3.960 -0.025 0.000 0.208 290 G HA3 0.364 4.309 3.960 -0.025 0.000 0.208 290 G C 0.227 175.193 174.900 0.110 0.000 1.159 290 G CA -0.361 44.749 45.100 0.018 0.000 0.784 290 G HN 0.550 nan 8.290 nan 0.000 0.535 291 L N -0.175 121.158 121.223 0.183 0.000 2.295 291 L HA 0.756 5.081 4.340 -0.025 0.000 0.285 291 L C -1.320 175.736 176.870 0.310 0.000 1.035 291 L CA -1.314 53.652 54.840 0.210 0.000 0.806 291 L CB 1.663 43.857 42.059 0.224 0.000 1.214 291 L HN 0.159 nan 8.230 nan 0.000 0.426 292 W N 5.220 126.570 121.300 0.082 0.000 2.998 292 W HA 0.678 5.323 4.660 -0.025 0.000 0.335 292 W C -1.405 175.185 176.519 0.118 0.000 1.110 292 W CA -0.323 57.118 57.345 0.160 0.000 1.230 292 W CB 2.030 31.595 29.460 0.175 0.000 1.405 292 W HN 0.607 nan 8.180 nan 0.000 0.493 293 S N 3.830 119.137 115.700 -0.655 0.000 2.535 293 S HA 0.532 4.988 4.470 -0.025 0.000 0.272 293 S C -1.436 172.697 174.600 -0.777 0.000 1.149 293 S CA -1.135 56.677 58.200 -0.646 0.000 0.888 293 S CB 1.612 64.728 63.200 -0.140 0.000 1.110 293 S HN 0.626 nan 8.310 nan 0.000 0.463 294 Q N 2.115 121.474 119.800 -0.735 0.000 2.340 294 Q HA 0.654 4.979 4.340 -0.025 0.000 0.268 294 Q C -1.365 174.479 176.000 -0.259 0.000 1.031 294 Q CA -0.970 54.577 55.803 -0.427 0.000 0.804 294 Q CB 1.859 30.375 28.738 -0.370 0.000 1.286 294 Q HN 0.737 nan 8.270 nan 0.000 0.448 295 L N 4.312 125.397 121.223 -0.230 0.000 2.295 295 L HA 0.370 4.695 4.340 -0.025 0.000 0.288 295 L C -0.792 175.986 176.870 -0.155 0.000 1.079 295 L CA -0.391 54.316 54.840 -0.223 0.000 0.830 295 L CB 0.539 42.300 42.059 -0.497 0.000 1.200 295 L HN 0.788 nan 8.230 nan 0.000 0.438 296 M N 6.627 126.139 119.600 -0.147 0.000 2.111 296 M HA 0.332 4.797 4.480 -0.025 0.000 0.351 296 M C -0.552 175.697 176.300 -0.084 0.000 1.214 296 M CA 0.000 55.206 55.300 -0.157 0.000 1.120 296 M CB 0.675 33.024 32.600 -0.418 0.000 1.443 296 M HN 0.413 nan 8.290 nan 0.000 0.429 297 I N 3.163 123.673 120.570 -0.100 0.000 2.282 297 I HA 0.506 4.661 4.170 -0.025 0.000 0.290 297 I C 0.631 176.733 176.117 -0.025 0.000 1.090 297 I CA -0.274 60.740 61.300 -0.476 0.000 1.231 297 I CB 0.303 38.106 38.000 -0.329 0.000 1.434 297 I HN 0.715 nan 8.210 nan 0.000 0.487 298 G N 4.589 113.442 108.800 0.088 0.000 2.694 298 G HA2 0.354 4.300 3.960 -0.025 0.000 0.290 298 G HA3 0.354 4.300 3.960 -0.025 0.000 0.290 298 G C -1.073 174.034 174.900 0.346 0.000 1.386 298 G CA -0.791 44.412 45.100 0.171 0.000 0.872 298 G HN 0.511 nan 8.290 nan 0.000 0.475 299 N N -0.124 118.617 118.700 0.068 0.000 2.467 299 N HA 0.146 4.872 4.740 -0.025 0.000 0.262 299 N C -0.560 175.081 175.510 0.219 0.000 1.234 299 N CA -0.172 52.895 53.050 0.028 0.000 0.952 299 N CB 1.418 39.792 38.487 -0.189 0.000 1.158 299 N HN 0.522 nan 8.380 nan 0.000 0.463 300 E N 0.079 120.397 120.200 0.197 0.000 2.229 300 E HA 0.288 4.623 4.350 -0.025 0.000 0.283 300 E C -0.736 175.952 176.600 0.148 0.000 1.030 300 E CA -0.651 55.880 56.400 0.218 0.000 0.836 300 E CB 1.296 31.129 29.700 0.222 0.000 1.068 300 E HN 0.318 nan 8.360 nan 0.000 0.401 301 V N 6.058 126.066 119.914 0.157 0.000 2.357 301 V HA 0.132 4.237 4.120 -0.025 0.000 0.284 301 V C -1.276 174.860 176.094 0.071 0.000 1.018 301 V CA -1.351 61.010 62.300 0.101 0.000 0.841 301 V CB 1.296 33.177 31.823 0.097 0.000 0.991 301 V HN 0.682 nan 8.190 nan 0.000 0.437 302 P HA -0.108 nan 4.420 nan 0.000 0.217 302 P C 1.267 178.583 177.300 0.027 0.000 1.148 302 P CA 1.628 64.751 63.100 0.039 0.000 0.828 302 P CB 0.425 32.142 31.700 0.028 0.000 0.783 303 G N -1.072 107.739 108.800 0.018 0.000 2.641 303 G HA2 0.066 4.012 3.960 -0.025 0.000 0.207 303 G HA3 0.066 4.012 3.960 -0.025 0.000 0.207 303 G C 0.680 175.578 174.900 -0.003 0.000 1.137 303 G CA -0.179 44.924 45.100 0.005 0.000 0.824 303 G HN 0.215 nan 8.290 nan 0.000 0.547 304 M N 2.823 122.416 119.600 -0.010 0.000 2.364 304 M HA 0.386 4.851 4.480 -0.025 0.000 0.342 304 M C 0.752 177.041 176.300 -0.019 0.000 1.601 304 M CA -0.261 55.016 55.300 -0.038 0.000 1.156 304 M CB 0.323 32.871 32.600 -0.086 0.000 1.912 304 M HN 0.099 nan 8.290 nan 0.000 0.460 305 G N 3.181 111.970 108.800 -0.018 0.000 2.572 305 G HA2 0.233 4.178 3.960 -0.025 0.000 0.261 305 G HA3 0.233 4.178 3.960 -0.025 0.000 0.261 305 G C -0.165 174.735 174.900 0.001 0.000 1.197 305 G CA -0.335 44.766 45.100 0.000 0.000 0.870 305 G HN 0.910 nan 8.290 nan 0.000 0.548 306 E N -1.581 118.632 120.200 0.023 0.000 2.340 306 E HA -0.192 4.144 4.350 -0.025 0.000 0.240 306 E C 0.494 177.151 176.600 0.094 0.000 1.154 306 E CA 1.002 57.421 56.400 0.032 0.000 0.717 306 E CB -1.462 28.253 29.700 0.025 0.000 1.250 306 E HN 0.898 nan 8.360 nan 0.000 0.386 307 S N -1.765 114.020 115.700 0.141 0.000 2.911 307 S HA 0.943 5.399 4.470 -0.025 0.000 0.319 307 S C 1.050 175.846 174.600 0.326 0.000 1.154 307 S CA -0.047 58.342 58.200 0.314 0.000 0.857 307 S CB 1.563 64.920 63.200 0.262 0.000 1.279 307 S HN 1.316 nan 8.310 nan 0.000 0.593 308 G N 0.575 109.627 108.800 0.420 0.000 2.598 308 G HA2 -0.187 3.759 3.960 -0.025 0.000 0.244 308 G HA3 -0.187 3.759 3.960 -0.025 0.000 0.244 308 G C -0.562 174.580 174.900 0.403 0.000 1.302 308 G CA -0.014 45.334 45.100 0.413 0.000 0.903 308 G HN 1.255 nan 8.290 nan 0.000 0.575 309 F N 2.289 122.389 119.950 0.250 0.000 2.309 309 F HA 0.661 5.175 4.527 -0.023 0.000 0.366 309 F C 0.975 176.872 175.800 0.161 0.000 1.104 309 F CA -0.662 57.409 58.000 0.118 0.000 1.179 309 F CB 0.202 39.069 39.000 -0.222 0.000 1.437 309 F HN 0.628 nan 8.300 nan 0.000 0.528 310 M N 4.506 124.364 119.600 0.429 0.000 2.593 310 M HA 0.562 5.027 4.480 -0.025 0.000 0.290 310 M C -1.442 174.980 176.300 0.202 0.000 1.244 310 M CA -0.963 54.486 55.300 0.249 0.000 0.857 310 M CB 2.890 35.549 32.600 0.098 0.000 1.738 310 M HN 0.417 nan 8.290 nan 0.000 0.461 311 M N 2.511 122.182 119.600 0.119 0.000 1.996 311 M HA 0.481 4.946 4.480 -0.025 0.000 0.268 311 M C -2.818 173.476 176.300 -0.009 0.000 0.888 311 M CA -1.431 53.909 55.300 0.068 0.000 0.939 311 M CB 1.752 34.474 32.600 0.204 0.000 1.736 311 M HN 0.374 nan 8.290 nan 0.000 0.407 312 P HA 0.289 nan 4.420 nan 0.000 0.271 312 P C -1.177 176.111 177.300 -0.019 0.000 1.226 312 P CA 0.304 63.395 63.100 -0.015 0.000 0.765 312 P CB 0.382 32.090 31.700 0.014 0.000 0.835 313 I N 3.577 124.161 120.570 0.023 0.000 2.498 313 I HA 0.400 4.555 4.170 -0.025 0.000 0.290 313 I C 0.096 176.264 176.117 0.085 0.000 1.032 313 I CA -0.715 60.599 61.300 0.024 0.000 1.073 313 I CB 1.958 39.967 38.000 0.014 0.000 1.251 313 I HN 0.323 nan 8.210 nan 0.000 0.426 314 Q N 5.461 125.353 119.800 0.154 0.000 2.372 314 Q HA 0.842 5.167 4.340 -0.025 0.000 0.273 314 Q C -1.872 174.220 176.000 0.154 0.000 1.078 314 Q CA -0.907 54.998 55.803 0.170 0.000 0.806 314 Q CB 3.380 32.260 28.738 0.236 0.000 1.332 314 Q HN 0.456 nan 8.270 nan 0.000 0.435 315 V N 1.265 121.247 119.914 0.113 0.000 2.876 315 V HA 0.273 4.378 4.120 -0.025 0.000 0.312 315 V C -1.308 174.833 176.094 0.078 0.000 1.085 315 V CA -0.696 61.661 62.300 0.095 0.000 0.945 315 V CB 2.121 33.987 31.823 0.072 0.000 1.017 315 V HN 0.991 nan 8.190 nan 0.000 0.428 316 D N 4.408 124.843 120.400 0.059 0.000 2.412 316 D HA 0.201 4.827 4.640 -0.025 0.000 0.257 316 D C 0.672 176.987 176.300 0.025 0.000 1.217 316 D CA 0.767 54.787 54.000 0.034 0.000 0.897 316 D CB 1.808 42.608 40.800 -0.000 0.000 1.132 316 D HN 0.748 nan 8.370 nan 0.000 0.493 317 A N 3.233 126.073 122.820 0.034 0.000 2.307 317 A HA 0.043 4.348 4.320 -0.025 0.000 0.218 317 A C 1.883 179.479 177.584 0.020 0.000 1.228 317 A CA 0.086 52.140 52.037 0.029 0.000 0.857 317 A CB 0.001 19.024 19.000 0.039 0.000 0.897 317 A HN 0.594 nan 8.150 nan 0.000 0.495 318 T N 0.676 115.239 114.554 0.014 0.000 2.746 318 T HA -0.067 4.269 4.350 -0.025 0.000 0.267 318 T C 1.064 175.765 174.700 0.003 0.000 1.039 318 T CA 0.825 62.932 62.100 0.010 0.000 1.142 318 T CB -0.149 68.724 68.868 0.007 0.000 0.866 318 T HN 0.509 nan 8.240 nan 0.000 0.444 319 R N 1.815 122.311 120.500 -0.007 0.000 2.543 319 R HA 0.131 4.457 4.340 -0.025 0.000 0.277 319 R C -1.533 174.761 176.300 -0.009 0.000 1.074 319 R CA -1.531 54.560 56.100 -0.014 0.000 1.076 319 R CB 0.071 30.352 30.300 -0.031 0.000 0.993 319 R HN 0.190 nan 8.270 nan 0.000 0.459 320 P HA -0.128 nan 4.420 nan 0.000 0.223 320 P C -0.082 177.215 177.300 -0.006 0.000 1.151 320 P CA 1.162 64.260 63.100 -0.004 0.000 0.787 320 P CB 0.088 31.786 31.700 -0.004 0.000 0.788 321 D N -0.815 119.575 120.400 -0.016 0.000 2.538 321 D HA 0.249 4.875 4.640 -0.025 0.000 0.234 321 D C 1.433 177.720 176.300 -0.022 0.000 1.191 321 D CA -0.420 53.569 54.000 -0.019 0.000 0.828 321 D CB -0.492 40.289 40.800 -0.031 0.000 0.981 321 D HN 0.033 nan 8.370 nan 0.000 0.490 322 A N 0.555 123.369 122.820 -0.010 0.000 1.930 322 A HA -0.140 4.165 4.320 -0.025 0.000 0.217 322 A C 2.239 179.834 177.584 0.018 0.000 1.175 322 A CA 0.835 52.871 52.037 -0.001 0.000 0.627 322 A CB -0.412 18.593 19.000 0.010 0.000 0.815 322 A HN 0.243 nan 8.150 nan 0.000 0.443 323 R N -0.818 119.694 120.500 0.020 0.000 2.090 323 R HA 0.005 4.330 4.340 -0.025 0.000 0.228 323 R C 2.426 178.752 176.300 0.044 0.000 1.110 323 R CA 0.838 56.956 56.100 0.030 0.000 0.973 323 R CB -0.183 30.131 30.300 0.023 0.000 0.869 323 R HN 0.462 nan 8.270 nan 0.000 0.440 324 R N 0.286 120.808 120.500 0.038 0.000 2.073 324 R HA -0.120 4.205 4.340 -0.025 0.000 0.234 324 R C 2.328 178.692 176.300 0.107 0.000 1.134 324 R CA 1.381 57.515 56.100 0.057 0.000 0.952 324 R CB -0.357 29.965 30.300 0.037 0.000 0.850 324 R HN 0.225 nan 8.270 nan 0.000 0.433 325 L N 0.512 121.787 121.223 0.086 0.000 2.083 325 L HA -0.197 4.128 4.340 -0.025 0.000 0.209 325 L C 2.527 179.592 176.870 0.325 0.000 1.083 325 L CA 1.055 56.004 54.840 0.182 0.000 0.752 325 L CB -0.388 41.635 42.059 -0.061 0.000 0.899 325 L HN 0.245 nan 8.230 nan 0.000 0.433 326 L N -0.367 120.956 121.223 0.167 0.000 2.027 326 L HA -0.216 4.110 4.340 -0.025 0.000 0.206 326 L C 2.110 179.053 176.870 0.122 0.000 1.074 326 L CA 1.470 56.387 54.840 0.129 0.000 0.745 326 L CB -0.233 41.868 42.059 0.072 0.000 0.898 326 L HN 0.274 nan 8.230 nan 0.000 0.433 327 D N 0.067 120.525 120.400 0.097 0.000 2.117 327 D HA -0.156 4.470 4.640 -0.025 0.000 0.197 327 D C 2.136 178.478 176.300 0.070 0.000 0.987 327 D CA 1.384 55.421 54.000 0.063 0.000 0.829 327 D CB -0.065 40.765 40.800 0.049 0.000 0.961 327 D HN 0.399 nan 8.370 nan 0.000 0.460 328 A N -0.219 122.685 122.820 0.141 0.000 2.015 328 A HA -0.188 4.117 4.320 -0.025 0.000 0.219 328 A C 1.944 179.595 177.584 0.110 0.000 1.163 328 A CA 1.692 53.829 52.037 0.167 0.000 0.646 328 A CB -0.707 18.466 19.000 0.290 0.000 0.806 328 A HN 0.366 nan 8.150 nan 0.000 0.448 329 H N -0.007 119.031 119.070 -0.054 0.000 2.307 329 H HA 0.027 4.568 4.556 -0.025 0.000 0.303 329 H C 1.724 176.780 175.328 -0.454 0.000 1.073 329 H CA 1.923 57.668 56.048 -0.504 0.000 1.338 329 H CB -0.220 29.192 29.762 -0.583 0.000 1.389 329 H HN 0.391 nan 8.280 nan 0.000 0.503 330 I N 0.883 121.297 120.570 -0.259 0.000 2.099 330 I HA -0.270 3.885 4.170 -0.025 0.000 0.239 330 I C 2.512 178.501 176.117 -0.213 0.000 1.066 330 I CA 1.957 63.115 61.300 -0.237 0.000 1.324 330 I CB -0.525 37.423 38.000 -0.086 0.000 1.037 330 I HN 0.546 nan 8.210 nan 0.000 0.401 331 E N 1.943 122.067 120.200 -0.127 0.000 2.204 331 E HA -0.191 4.144 4.350 -0.025 0.000 0.195 331 E C 2.083 178.630 176.600 -0.089 0.000 0.990 331 E CA 1.228 57.579 56.400 -0.081 0.000 0.821 331 E CB -0.272 29.407 29.700 -0.035 0.000 0.750 331 E HN 0.483 nan 8.360 nan 0.000 0.477 332 A N 1.187 123.926 122.820 -0.133 0.000 1.929 332 A HA -0.014 4.291 4.320 -0.025 0.000 0.216 332 A C 2.408 179.908 177.584 -0.139 0.000 1.176 332 A CA 1.110 53.090 52.037 -0.094 0.000 0.628 332 A CB -0.393 18.600 19.000 -0.012 0.000 0.816 332 A HN 0.196 nan 8.150 nan 0.000 0.444 333 V N 0.540 120.292 119.914 -0.270 0.000 2.346 333 V HA -0.145 3.961 4.120 -0.025 0.000 0.244 333 V C 2.101 178.138 176.094 -0.096 0.000 1.037 333 V CA 1.752 63.929 62.300 -0.204 0.000 1.029 333 V CB -0.663 30.973 31.823 -0.312 0.000 0.663 333 V HN 0.741 nan 8.190 nan 0.000 0.454 334 I N -1.310 119.216 120.570 -0.073 0.000 3.812 334 I HA 0.280 4.436 4.170 -0.025 0.000 0.319 334 I C 0.307 176.406 176.117 -0.029 0.000 1.353 334 I CA -0.111 61.182 61.300 -0.011 0.000 1.170 334 I CB -0.478 37.530 38.000 0.013 0.000 1.057 334 I HN 0.091 nan 8.210 nan 0.000 0.411 335 D N 2.330 122.705 120.400 -0.043 0.000 2.358 335 D HA 0.337 4.962 4.640 -0.025 0.000 0.258 335 D C 1.430 177.713 176.300 -0.029 0.000 1.223 335 D CA 1.269 55.250 54.000 -0.032 0.000 0.886 335 D CB 0.583 41.367 40.800 -0.027 0.000 1.120 335 D HN 0.527 nan 8.370 nan 0.000 0.482 336 G N 2.847 111.633 108.800 -0.023 0.000 2.198 336 G HA2 -0.207 3.739 3.960 -0.025 0.000 0.260 336 G HA3 -0.207 3.739 3.960 -0.025 0.000 0.260 336 G C 0.032 174.916 174.900 -0.026 0.000 1.025 336 G CA 0.276 45.363 45.100 -0.022 0.000 0.769 336 G HN 0.547 nan 8.290 nan 0.000 0.507 337 V N 0.254 120.155 119.914 -0.023 0.000 2.266 337 V HA 0.264 4.369 4.120 -0.025 0.000 0.271 337 V C -0.359 175.732 176.094 -0.005 0.000 1.032 337 V CA -0.795 61.492 62.300 -0.021 0.000 0.806 337 V CB 1.394 33.205 31.823 -0.020 0.000 1.052 337 V HN 0.098 nan 8.190 nan 0.000 0.449 338 P HA -0.061 nan 4.420 nan 0.000 0.213 338 P C -1.648 175.646 177.300 -0.009 0.000 1.170 338 P CA 1.192 64.287 63.100 -0.009 0.000 0.902 338 P CB -0.900 30.798 31.700 -0.004 0.000 0.789 339 P HA 0.348 nan 4.420 nan 0.000 0.231 339 P C -1.039 176.259 177.300 -0.002 0.000 1.811 339 P CA 0.061 63.155 63.100 -0.011 0.000 1.051 339 P CB -0.186 31.507 31.700 -0.012 0.000 1.951 340 A N 1.126 123.908 122.820 -0.063 0.000 2.374 340 A HA 0.618 4.923 4.320 -0.025 0.000 0.305 340 A C -0.831 176.604 177.584 -0.248 0.000 1.053 340 A CA -0.582 51.319 52.037 -0.226 0.000 0.726 340 A CB 1.465 20.395 19.000 -0.117 0.000 1.229 340 A HN 0.175 nan 8.150 nan 0.000 0.431 341 E N 1.580 121.567 120.200 -0.355 0.000 2.129 341 E HA 0.549 4.884 4.350 -0.025 0.000 0.268 341 E C -1.556 174.899 176.600 -0.242 0.000 0.900 341 E CA -0.277 55.981 56.400 -0.237 0.000 0.755 341 E CB 1.487 31.072 29.700 -0.192 0.000 1.117 341 E HN 0.349 nan 8.360 nan 0.000 0.410 342 V N 7.732 127.547 119.914 -0.165 0.000 2.313 342 V HA 0.435 4.541 4.120 -0.025 0.000 0.278 342 V C -1.747 174.293 176.094 -0.089 0.000 1.017 342 V CA -1.335 60.885 62.300 -0.133 0.000 0.823 342 V CB 0.826 32.583 31.823 -0.110 0.000 1.010 342 V HN 0.733 nan 8.190 nan 0.000 0.443 343 P HA 0.379 nan 4.420 nan 0.000 0.279 343 P C -0.475 176.802 177.300 -0.039 0.000 1.276 343 P CA -0.623 62.445 63.100 -0.054 0.000 0.801 343 P CB 1.014 32.683 31.700 -0.051 0.000 1.127 344 E N 1.038 121.222 120.200 -0.027 0.000 2.324 344 E HA 0.179 4.514 4.350 -0.025 0.000 0.271 344 E C -1.962 174.631 176.600 -0.011 0.000 1.028 344 E CA -1.476 54.914 56.400 -0.017 0.000 0.890 344 E CB -0.408 29.284 29.700 -0.012 0.000 1.004 344 E HN 0.262 nan 8.360 nan 0.000 0.431 345 P HA 0.046 nan 4.420 nan 0.000 0.260 345 P C -0.350 176.955 177.300 0.007 0.000 1.207 345 P CA 0.359 63.461 63.100 0.004 0.000 0.780 345 P CB 0.085 31.792 31.700 0.011 0.000 0.789 346 I N 2.218 122.793 120.570 0.007 0.000 2.342 346 I HA 0.168 4.323 4.170 -0.025 0.000 0.291 346 I C 1.023 177.151 176.117 0.017 0.000 1.010 346 I CA -0.430 60.876 61.300 0.009 0.000 1.308 346 I CB 0.821 38.824 38.000 0.004 0.000 1.400 346 I HN 0.286 nan 8.210 nan 0.000 0.488 347 E N 7.886 128.098 120.200 0.020 0.000 2.052 347 E HA 0.146 4.482 4.350 -0.025 0.000 0.283 347 E C -0.793 175.824 176.600 0.028 0.000 1.071 347 E CA -0.505 55.912 56.400 0.028 0.000 0.851 347 E CB 0.635 30.352 29.700 0.028 0.000 1.066 347 E HN 0.600 nan 8.360 nan 0.000 0.396 348 Q N 3.941 123.759 119.800 0.031 0.000 2.301 348 Q HA 0.499 4.824 4.340 -0.025 0.000 0.267 348 Q C -0.400 175.625 176.000 0.042 0.000 1.035 348 Q CA -1.057 54.760 55.803 0.024 0.000 0.856 348 Q CB 1.914 30.654 28.738 0.004 0.000 1.337 348 Q HN 0.303 nan 8.270 nan 0.000 0.450 349 R N 0.423 120.946 120.500 0.039 0.000 2.726 349 R HA 0.153 4.478 4.340 -0.025 0.000 0.272 349 R C -0.391 175.948 176.300 0.064 0.000 1.097 349 R CA -0.575 55.569 56.100 0.075 0.000 1.198 349 R CB 0.598 30.945 30.300 0.078 0.000 1.114 349 R HN 0.673 nan 8.270 nan 0.000 0.550 350 W N 3.544 124.766 121.300 -0.130 0.000 2.303 350 W HA 0.050 4.695 4.660 -0.025 0.000 0.318 350 W C -0.188 176.110 176.519 -0.368 0.000 1.362 350 W CA -0.080 57.097 57.345 -0.280 0.000 1.234 350 W CB 0.234 29.454 29.460 -0.400 0.000 1.248 350 W HN 0.556 nan 8.180 nan 0.000 0.546 351 L N 4.864 125.521 121.223 -0.944 0.000 3.717 351 L HA -0.352 3.974 4.340 -0.025 0.000 0.414 351 L C 1.558 178.238 176.870 -0.318 0.000 1.228 351 L CA 0.448 54.863 54.840 -0.708 0.000 0.918 351 L CB -1.844 39.764 42.059 -0.753 0.000 1.865 351 L HN 0.660 nan 8.230 nan 0.000 0.922 352 A N -1.139 121.548 122.820 -0.221 0.000 1.930 352 A HA -0.014 4.292 4.320 -0.025 0.000 0.217 352 A C 1.326 178.851 177.584 -0.099 0.000 1.175 352 A CA 1.865 53.838 52.037 -0.105 0.000 0.627 352 A CB 0.024 18.985 19.000 -0.066 0.000 0.815 352 A HN 0.433 nan 8.150 nan 0.000 0.443 353 S N -0.232 115.389 115.700 -0.131 0.000 2.478 353 S HA 0.475 4.930 4.470 -0.025 0.000 0.312 353 S C -0.378 174.142 174.600 -0.133 0.000 1.094 353 S CA -0.536 57.600 58.200 -0.106 0.000 1.081 353 S CB 0.759 63.908 63.200 -0.086 0.000 1.007 353 S HN 0.321 nan 8.310 nan 0.000 0.475 354 T N 7.315 121.809 114.554 -0.100 0.000 2.814 354 T HA 0.369 4.704 4.350 -0.025 0.000 0.297 354 T C -1.705 172.946 174.700 -0.082 0.000 0.956 354 T CA -0.685 61.358 62.100 -0.096 0.000 1.123 354 T CB 0.556 69.387 68.868 -0.062 0.000 0.902 354 T HN 0.594 nan 8.240 nan 0.000 0.528 355 P HA 0.600 nan 4.420 nan 0.000 0.302 355 P C 0.064 177.335 177.300 -0.048 0.000 1.307 355 P CA -0.551 62.509 63.100 -0.067 0.000 0.754 355 P CB 0.452 32.108 31.700 -0.074 0.000 1.298 356 G N -0.507 108.271 108.800 -0.036 0.000 2.565 356 G HA2 -0.100 3.845 3.960 -0.025 0.000 0.229 356 G HA3 -0.100 3.845 3.960 -0.025 0.000 0.229 356 G C -0.131 174.765 174.900 -0.006 0.000 1.242 356 G CA -0.757 44.329 45.100 -0.023 0.000 1.055 356 G HN 0.577 nan 8.290 nan 0.000 0.604 357 R N 1.350 121.856 120.500 0.011 0.000 3.152 357 R HA 0.408 4.733 4.340 -0.025 0.000 0.209 357 R C 1.410 177.720 176.300 0.017 0.000 1.649 357 R CA 1.524 57.634 56.100 0.017 0.000 1.185 357 R CB -0.787 29.535 30.300 0.036 0.000 1.258 357 R HN 1.955 nan 8.270 nan 0.000 0.656 358 G N 1.425 110.226 108.800 0.001 0.000 2.601 358 G HA2 -0.331 3.614 3.960 -0.025 0.000 0.252 358 G HA3 -0.331 3.614 3.960 -0.025 0.000 0.252 358 G C 0.437 175.336 174.900 -0.002 0.000 1.294 358 G CA -0.149 44.946 45.100 -0.008 0.000 0.912 358 G HN 0.591 nan 8.290 nan 0.000 0.574 359 G N -1.175 107.614 108.800 -0.020 0.000 2.446 359 G HA2 0.418 4.363 3.960 -0.025 0.000 0.200 359 G HA3 0.418 4.363 3.960 -0.025 0.000 0.200 359 G C 0.494 175.355 174.900 -0.064 0.000 1.707 359 G CA 0.343 45.427 45.100 -0.026 0.000 0.697 359 G HN 0.632 nan 8.290 nan 0.000 0.675 360 R N 2.011 122.467 120.500 -0.073 0.000 2.288 360 R HA 0.381 4.706 4.340 -0.025 0.000 0.330 360 R C 0.512 176.746 176.300 -0.110 0.000 1.069 360 R CA 0.049 56.089 56.100 -0.101 0.000 0.941 360 R CB 0.435 30.682 30.300 -0.089 0.000 0.998 360 R HN 0.331 nan 8.270 nan 0.000 0.452 361 G N 4.519 113.236 108.800 -0.139 0.000 2.543 361 G HA2 0.403 4.348 3.960 -0.025 0.000 0.290 361 G HA3 0.403 4.348 3.960 -0.025 0.000 0.290 361 G C -2.254 172.534 174.900 -0.187 0.000 1.310 361 G CA -0.754 44.261 45.100 -0.142 0.000 1.025 361 G HN 0.368 nan 8.290 nan 0.000 0.502 362 P HA 0.384 nan 4.420 nan 0.000 0.276 362 P C -0.531 176.494 177.300 -0.458 0.000 1.261 362 P CA -0.235 62.677 63.100 -0.313 0.000 0.800 362 P CB 0.992 32.507 31.700 -0.309 0.000 1.066 363 A N 1.362 123.783 122.820 -0.665 0.000 2.451 363 A HA 0.498 4.803 4.320 -0.025 0.000 0.266 363 A C 0.531 177.169 177.584 -1.576 0.000 1.119 363 A CA 0.199 51.650 52.037 -0.977 0.000 0.786 363 A CB -0.888 17.554 19.000 -0.931 0.000 1.061 363 A HN 0.624 nan 8.150 nan 0.000 0.503 364 S N 1.490 116.532 115.700 -1.097 0.000 2.618 364 S HA 0.820 5.275 4.470 -0.025 0.000 0.277 364 S C -0.916 173.501 174.600 -0.306 0.000 1.138 364 S CA -0.953 56.748 58.200 -0.832 0.000 0.844 364 S CB 1.806 64.770 63.200 -0.395 0.000 1.127 364 S HN 0.780 nan 8.310 nan 0.000 0.474 365 K N 0.705 121.105 120.400 0.001 0.000 2.578 365 K HA 0.609 4.914 4.320 -0.025 0.000 0.250 365 K C -1.348 175.222 176.600 -0.049 0.000 0.955 365 K CA -0.082 56.258 56.287 0.089 0.000 0.825 365 K CB 1.938 34.608 32.500 0.284 0.000 1.151 365 K HN 0.842 nan 8.250 nan 0.000 0.432 366 T N 3.354 117.763 114.554 -0.242 0.000 2.824 366 T HA 0.572 4.907 4.350 -0.025 0.000 0.282 366 T C -1.249 173.288 174.700 -0.272 0.000 0.993 366 T CA -0.670 61.212 62.100 -0.363 0.000 0.967 366 T CB 0.453 68.867 68.868 -0.757 0.000 0.960 366 T HN 0.592 nan 8.240 nan 0.000 0.441 367 K N 2.631 122.941 120.400 -0.151 0.000 2.259 367 K HA 0.813 5.118 4.320 -0.025 0.000 0.252 367 K C -0.716 175.968 176.600 0.141 0.000 0.936 367 K CA -0.956 55.255 56.287 -0.126 0.000 0.810 367 K CB 2.152 34.370 32.500 -0.471 0.000 1.143 367 K HN 0.649 nan 8.250 nan 0.000 0.427 368 A N 1.177 124.117 122.820 0.200 0.000 2.354 368 A HA 0.921 5.227 4.320 -0.025 0.000 0.321 368 A C -0.547 177.255 177.584 0.364 0.000 1.125 368 A CA -0.660 51.541 52.037 0.273 0.000 0.799 368 A CB 1.755 20.955 19.000 0.334 0.000 1.293 368 A HN 0.752 nan 8.150 nan 0.000 0.452 369 G N -0.968 107.975 108.800 0.238 0.000 2.720 369 G HA2 0.542 4.488 3.960 -0.025 0.000 0.295 369 G HA3 0.542 4.488 3.960 -0.025 0.000 0.295 369 G C -1.872 173.045 174.900 0.029 0.000 1.437 369 G CA -0.389 44.815 45.100 0.172 0.000 0.886 369 G HN 0.504 nan 8.290 nan 0.000 0.509 370 Y N -0.553 119.783 120.300 0.059 0.000 2.453 370 Y HA 0.737 5.272 4.550 -0.024 0.000 0.326 370 Y C 0.420 176.363 175.900 0.071 0.000 1.186 370 Y CA -0.494 57.625 58.100 0.032 0.000 1.200 370 Y CB 2.149 40.608 38.460 -0.001 0.000 1.247 370 Y HN 0.296 nan 8.280 nan 0.000 0.482 371 L N 2.986 124.362 121.223 0.256 0.000 2.406 371 L HA 0.485 4.810 4.340 -0.025 0.000 0.272 371 L C 0.477 177.454 176.870 0.177 0.000 0.980 371 L CA -0.492 54.461 54.840 0.188 0.000 0.831 371 L CB 2.084 44.226 42.059 0.139 0.000 1.253 371 L HN 0.683 nan 8.230 nan 0.000 0.406 372 R N 1.135 121.718 120.500 0.139 0.000 2.112 372 R HA 0.186 4.511 4.340 -0.025 0.000 0.216 372 R C 0.166 176.522 176.300 0.092 0.000 1.080 372 R CA 0.678 56.843 56.100 0.109 0.000 0.996 372 R CB 0.406 30.753 30.300 0.078 0.000 0.902 372 R HN 0.473 nan 8.270 nan 0.000 0.449 373 K N 0.334 120.786 120.400 0.087 0.000 2.331 373 K HA 0.291 4.596 4.320 -0.025 0.000 0.238 373 K C -0.637 176.012 176.600 0.081 0.000 1.058 373 K CA -0.997 55.334 56.287 0.073 0.000 0.871 373 K CB 1.586 34.119 32.500 0.055 0.000 1.292 373 K HN -0.039 nan 8.250 nan 0.000 0.470 374 R N 0.510 121.052 120.500 0.071 0.000 2.738 374 R HA 0.174 4.499 4.340 -0.025 0.000 0.268 374 R C -0.482 175.858 176.300 0.066 0.000 1.062 374 R CA -0.431 55.714 56.100 0.074 0.000 1.158 374 R CB -0.038 30.302 30.300 0.066 0.000 1.046 374 R HN 0.359 nan 8.270 nan 0.000 0.493 375 L N 2.499 123.762 121.223 0.066 0.000 2.499 375 L HA 0.035 4.360 4.340 -0.025 0.000 0.273 375 L C 0.825 177.714 176.870 0.032 0.000 1.195 375 L CA 0.100 54.969 54.840 0.048 0.000 0.882 375 L CB 0.489 42.574 42.059 0.043 0.000 1.133 375 L HN 0.898 nan 8.230 nan 0.000 0.483 376 T N -1.659 112.907 114.554 0.021 0.000 2.855 376 T HA -0.013 4.322 4.350 -0.025 0.000 0.314 376 T C 0.887 175.594 174.700 0.011 0.000 1.077 376 T CA -0.748 61.360 62.100 0.014 0.000 1.095 376 T CB 0.746 69.618 68.868 0.007 0.000 0.987 376 T HN 0.551 nan 8.240 nan 0.000 0.546 377 D N 1.463 121.869 120.400 0.011 0.000 2.182 377 D HA -0.127 4.498 4.640 -0.025 0.000 0.201 377 D C 2.202 178.512 176.300 0.018 0.000 0.986 377 D CA 1.406 55.415 54.000 0.014 0.000 0.847 377 D CB -0.071 40.734 40.800 0.009 0.000 0.942 377 D HN 0.750 nan 8.370 nan 0.000 0.467 378 R N 0.954 121.457 120.500 0.005 0.000 2.193 378 R HA 0.015 4.340 4.340 -0.025 0.000 0.213 378 R C 1.950 178.241 176.300 -0.015 0.000 1.055 378 R CA 0.772 56.870 56.100 -0.003 0.000 0.995 378 R CB -0.752 29.540 30.300 -0.014 0.000 0.893 378 R HN 0.169 nan 8.270 nan 0.000 0.459 379 Q N 0.602 120.387 119.800 -0.026 0.000 2.083 379 Q HA 0.066 4.392 4.340 -0.025 0.000 0.198 379 Q C 2.094 178.102 176.000 0.013 0.000 0.969 379 Q CA 1.427 57.195 55.803 -0.059 0.000 0.838 379 Q CB -0.111 28.573 28.738 -0.092 0.000 0.900 379 Q HN 0.382 nan 8.270 nan 0.000 0.436 380 I N 0.598 121.205 120.570 0.062 0.000 2.226 380 I HA -0.306 3.849 4.170 -0.025 0.000 0.245 380 I C 2.510 178.773 176.117 0.244 0.000 1.100 380 I CA 1.076 62.471 61.300 0.159 0.000 1.374 380 I CB -0.181 37.881 38.000 0.103 0.000 1.057 380 I HN 0.213 nan 8.210 nan 0.000 0.413 381 Q N 1.305 121.190 119.800 0.141 0.000 2.084 381 Q HA -0.179 4.146 4.340 -0.025 0.000 0.202 381 Q C 2.190 178.262 176.000 0.119 0.000 0.978 381 Q CA 2.283 58.167 55.803 0.134 0.000 0.844 381 Q CB -0.318 28.458 28.738 0.064 0.000 0.898 381 Q HN 0.506 nan 8.270 nan 0.000 0.426 382 A N -0.788 122.059 122.820 0.045 0.000 1.972 382 A HA -0.101 4.204 4.320 -0.025 0.000 0.219 382 A C 2.244 179.821 177.584 -0.012 0.000 1.169 382 A CA 1.493 53.515 52.037 -0.025 0.000 0.635 382 A CB -0.673 18.264 19.000 -0.104 0.000 0.810 382 A HN 0.272 nan 8.150 nan 0.000 0.446 383 V N -1.598 118.365 119.914 0.082 0.000 2.270 383 V HA -0.271 3.835 4.120 -0.025 0.000 0.245 383 V C 2.316 178.475 176.094 0.108 0.000 1.043 383 V CA 2.054 64.439 62.300 0.141 0.000 1.014 383 V CB -1.007 31.004 31.823 0.313 0.000 0.645 383 V HN 0.715 nan 8.190 nan 0.000 0.447 384 Y N 1.370 121.656 120.300 -0.023 0.000 2.165 384 Y HA -0.302 4.235 4.550 -0.021 0.000 0.286 384 Y C 2.628 178.467 175.900 -0.102 0.000 1.155 384 Y CA 2.315 60.238 58.100 -0.296 0.000 1.164 384 Y CB -0.103 38.184 38.460 -0.287 0.000 0.978 384 Y HN 0.400 nan 8.280 nan 0.000 0.513 385 E N 0.573 120.802 120.200 0.049 0.000 2.058 385 E HA -0.243 4.092 4.350 -0.025 0.000 0.194 385 E C 1.664 178.258 176.600 -0.010 0.000 0.997 385 E CA 2.235 58.639 56.400 0.007 0.000 0.801 385 E CB -0.525 29.159 29.700 -0.026 0.000 0.746 385 E HN 0.483 nan 8.360 nan 0.000 0.450 386 N N -0.640 118.026 118.700 -0.056 0.000 2.354 386 N HA -0.055 4.670 4.740 -0.025 0.000 0.179 386 N C 1.457 177.086 175.510 0.199 0.000 1.021 386 N CA 0.948 53.982 53.050 -0.028 0.000 0.887 386 N CB -0.077 38.213 38.487 -0.329 0.000 0.974 386 N HN 0.280 nan 8.380 nan 0.000 0.437 387 M N 0.476 120.103 119.600 0.044 0.000 2.319 387 M HA 0.010 4.476 4.480 -0.025 0.000 0.265 387 M C 1.605 177.735 176.300 -0.284 0.000 1.068 387 M CA 1.046 56.334 55.300 -0.019 0.000 1.118 387 M CB -1.186 31.380 32.600 -0.058 0.000 1.395 387 M HN 0.014 nan 8.290 nan 0.000 0.435 388 T N -1.396 112.963 114.554 -0.325 0.000 2.942 388 T HA -0.057 4.278 4.350 -0.025 0.000 0.265 388 T C 0.263 174.776 174.700 -0.313 0.000 1.062 388 T CA 0.937 62.795 62.100 -0.404 0.000 1.139 388 T CB -0.251 68.351 68.868 -0.443 0.000 0.883 388 T HN 0.349 nan 8.240 nan 0.000 0.468 389 H N 1.832 120.831 119.070 -0.119 0.000 2.741 389 H HA 0.465 5.003 4.556 -0.030 0.000 0.261 389 H C 0.236 175.597 175.328 0.054 0.000 1.365 389 H CA -0.388 55.634 56.048 -0.043 0.000 1.266 389 H CB -0.394 29.359 29.762 -0.015 0.000 1.485 389 H HN 0.305 nan 8.280 nan 0.000 0.529 390 M N -0.373 119.179 119.600 -0.080 0.000 3.951 390 M HA 0.381 4.847 4.480 -0.025 0.000 0.444 390 M C -1.581 174.501 176.300 -0.364 0.000 1.957 390 M CA -0.699 54.401 55.300 -0.333 0.000 0.521 390 M CB 0.938 33.150 32.600 -0.647 0.000 1.436 390 M HN 0.013 nan 8.290 nan 0.000 0.525 391 D N 1.827 122.087 120.400 -0.234 0.000 2.389 391 D HA 0.377 5.002 4.640 -0.025 0.000 0.247 391 D C 1.312 177.466 176.300 -0.243 0.000 1.128 391 D CA 1.388 55.263 54.000 -0.208 0.000 0.884 391 D CB 1.574 42.293 40.800 -0.136 0.000 1.194 391 D HN 0.860 nan 8.370 nan 0.000 0.441 392 G N 1.972 110.641 108.800 -0.219 0.000 2.148 392 G HA2 -0.228 3.717 3.960 -0.025 0.000 0.254 392 G HA3 -0.228 3.717 3.960 -0.025 0.000 0.254 392 G C 0.196 174.891 174.900 -0.341 0.000 0.981 392 G CA -0.335 44.637 45.100 -0.213 0.000 0.670 392 G HN 0.459 nan 8.290 nan 0.000 0.528 393 I N 1.414 121.734 120.570 -0.416 0.000 2.312 393 I HA 0.281 4.436 4.170 -0.025 0.000 0.290 393 I C 0.790 176.833 176.117 -0.123 0.000 1.008 393 I CA -0.766 60.229 61.300 -0.509 0.000 1.226 393 I CB 1.239 38.742 38.000 -0.829 0.000 1.371 393 I HN -0.102 nan 8.210 nan 0.000 0.468 394 D N 4.721 125.279 120.400 0.264 0.000 2.084 394 D HA -0.157 4.468 4.640 -0.025 0.000 0.196 394 D C 0.061 176.467 176.300 0.177 0.000 0.985 394 D CA 2.011 56.129 54.000 0.196 0.000 0.826 394 D CB 0.056 40.995 40.800 0.231 0.000 0.978 394 D HN 0.509 nan 8.370 nan 0.000 0.456 395 Y N -0.698 119.629 120.300 0.045 0.000 2.421 395 Y HA 0.530 5.067 4.550 -0.023 0.000 0.339 395 Y C -0.735 175.134 175.900 -0.051 0.000 0.996 395 Y CA -0.805 57.289 58.100 -0.009 0.000 1.046 395 Y CB 2.293 40.764 38.460 0.019 0.000 1.226 395 Y HN -0.046 nan 8.280 nan 0.000 0.445 396 G N 3.133 111.487 108.800 -0.743 0.000 2.711 396 G HA2 0.734 4.679 3.960 -0.025 0.000 0.288 396 G HA3 0.734 4.679 3.960 -0.025 0.000 0.288 396 G C -2.042 172.602 174.900 -0.427 0.000 1.451 396 G CA -0.192 44.557 45.100 -0.583 0.000 1.186 396 G HN 0.972 nan 8.290 nan 0.000 0.560 397 A N 1.084 123.771 122.820 -0.222 0.000 2.556 397 A HA 0.894 5.200 4.320 -0.025 0.000 0.294 397 A C -1.368 176.213 177.584 -0.006 0.000 1.091 397 A CA -0.723 51.249 52.037 -0.107 0.000 0.704 397 A CB 2.131 21.055 19.000 -0.125 0.000 1.300 397 A HN 1.351 nan 8.150 nan 0.000 0.406 398 V N 1.299 121.261 119.914 0.080 0.000 2.443 398 V HA 0.442 4.547 4.120 -0.025 0.000 0.293 398 V C -1.402 174.798 176.094 0.177 0.000 1.021 398 V CA -0.486 61.821 62.300 0.012 0.000 0.848 398 V CB 1.142 33.009 31.823 0.073 0.000 0.998 398 V HN 0.775 nan 8.190 nan 0.000 0.424 399 W N 5.067 126.274 121.300 -0.154 0.000 2.469 399 W HA 0.699 5.347 4.660 -0.020 0.000 0.320 399 W C -0.617 175.810 176.519 -0.153 0.000 1.086 399 W CA -1.715 55.559 57.345 -0.118 0.000 1.211 399 W CB 1.283 30.716 29.460 -0.045 0.000 1.298 399 W HN 0.302 nan 8.180 nan 0.000 0.525 400 L N 4.694 125.956 121.223 0.064 0.000 2.371 400 L HA 0.359 4.684 4.340 -0.025 0.000 0.262 400 L C -0.056 176.808 176.870 -0.010 0.000 1.054 400 L CA -0.182 54.658 54.840 0.000 0.000 0.924 400 L CB -0.060 41.977 42.059 -0.037 0.000 1.295 400 L HN 0.179 nan 8.230 nan 0.000 0.441 401 I N 1.733 122.344 120.570 0.069 0.000 2.441 401 I HA 0.281 4.436 4.170 -0.025 0.000 0.287 401 I C 1.297 177.449 176.117 0.058 0.000 1.049 401 I CA -0.102 61.276 61.300 0.129 0.000 1.381 401 I CB 0.918 39.192 38.000 0.457 0.000 1.409 401 I HN 0.585 nan 8.210 nan 0.000 0.523 402 G N 5.122 113.878 108.800 -0.073 0.000 2.398 402 G HA2 0.234 4.180 3.960 -0.025 0.000 0.246 402 G HA3 0.234 4.180 3.960 -0.025 0.000 0.246 402 G C -1.153 174.056 174.900 0.515 0.000 1.289 402 G CA 0.230 45.328 45.100 -0.003 0.000 0.869 402 G HN 0.488 nan 8.290 nan 0.000 0.543 403 Y N 0.521 120.956 120.300 0.225 0.000 2.728 403 Y HA 0.633 5.169 4.550 -0.023 0.000 0.330 403 Y C 0.715 176.752 175.900 0.228 0.000 1.234 403 Y CA 0.354 58.592 58.100 0.230 0.000 1.070 403 Y CB 1.610 40.111 38.460 0.067 0.000 1.300 403 Y HN 1.454 nan 8.280 nan 0.000 0.467 404 G N 0.791 109.360 108.800 -0.384 0.000 2.475 404 G HA2 0.353 4.298 3.960 -0.025 0.000 0.223 404 G HA3 0.353 4.298 3.960 -0.025 0.000 0.223 404 G C 0.720 175.537 174.900 -0.138 0.000 1.201 404 G CA 0.712 45.690 45.100 -0.203 0.000 0.962 404 G HN 2.230 nan 8.290 nan 0.000 0.586 405 G N -0.244 108.538 108.800 -0.031 0.000 2.574 405 G HA2 -0.160 3.785 3.960 -0.025 0.000 0.301 405 G HA3 -0.160 3.785 3.960 -0.025 0.000 0.301 405 G C 1.227 176.106 174.900 -0.035 0.000 1.166 405 G CA 1.810 46.902 45.100 -0.014 0.000 0.971 405 G HN 1.896 nan 8.290 nan 0.000 0.542 406 K N 0.766 121.147 120.400 -0.032 0.000 2.362 406 K HA 0.280 4.585 4.320 -0.025 0.000 0.200 406 K C 2.592 179.184 176.600 -0.013 0.000 1.046 406 K CA 1.754 58.034 56.287 -0.012 0.000 0.952 406 K CB -0.425 32.080 32.500 0.008 0.000 0.753 406 K HN 0.446 nan 8.250 nan 0.000 0.466 407 V N 1.322 121.192 119.914 -0.073 0.000 2.295 407 V HA -0.202 3.903 4.120 -0.025 0.000 0.246 407 V C 0.858 176.918 176.094 -0.057 0.000 1.049 407 V CA 1.646 63.884 62.300 -0.104 0.000 1.024 407 V CB -0.516 31.090 31.823 -0.362 0.000 0.648 407 V HN 0.348 nan 8.190 nan 0.000 0.447 408 N N 0.689 119.353 118.700 -0.060 0.000 2.482 408 N HA -0.019 4.706 4.740 -0.025 0.000 0.220 408 N C 1.382 176.892 175.510 0.000 0.000 1.255 408 N CA 0.934 53.973 53.050 -0.019 0.000 0.850 408 N CB 0.061 38.540 38.487 -0.013 0.000 1.127 408 N HN 0.751 nan 8.380 nan 0.000 0.475 409 T N -4.356 110.202 114.554 0.005 0.000 2.990 409 T HA 0.161 4.496 4.350 -0.025 0.000 0.249 409 T C 0.766 175.484 174.700 0.029 0.000 1.039 409 T CA -0.055 62.055 62.100 0.017 0.000 1.036 409 T CB 0.151 69.029 68.868 0.016 0.000 0.994 409 T HN -0.174 nan 8.240 nan 0.000 0.489 410 V N 2.580 122.514 119.914 0.033 0.000 2.686 410 V HA 0.380 4.485 4.120 -0.025 0.000 0.295 410 V C 0.144 176.274 176.094 0.061 0.000 1.057 410 V CA -1.091 61.240 62.300 0.053 0.000 1.012 410 V CB 1.194 33.050 31.823 0.055 0.000 1.006 410 V HN 0.405 nan 8.190 nan 0.000 0.477 411 D N 4.204 124.652 120.400 0.081 0.000 2.424 411 D HA 0.172 4.797 4.640 -0.025 0.000 0.244 411 D C -1.610 174.751 176.300 0.101 0.000 1.134 411 D CA -1.146 52.906 54.000 0.087 0.000 0.881 411 D CB 1.511 42.371 40.800 0.100 0.000 1.191 411 D HN 0.265 nan 8.370 nan 0.000 0.445 412 P HA -0.128 nan 4.420 nan 0.000 0.220 412 P C 0.224 177.617 177.300 0.156 0.000 1.144 412 P CA 1.210 64.367 63.100 0.096 0.000 0.800 412 P CB 0.205 31.950 31.700 0.075 0.000 0.772 413 A N -1.139 121.792 122.820 0.184 0.000 2.197 413 A HA 0.407 4.712 4.320 -0.025 0.000 0.210 413 A C 2.114 179.944 177.584 0.410 0.000 1.180 413 A CA 0.722 52.925 52.037 0.277 0.000 0.846 413 A CB -0.865 18.237 19.000 0.171 0.000 0.884 413 A HN 0.128 nan 8.150 nan 0.000 0.487 414 A N 0.281 123.287 122.820 0.310 0.000 1.933 414 A HA 0.113 4.418 4.320 -0.025 0.000 0.218 414 A C 1.669 179.507 177.584 0.424 0.000 1.175 414 A CA 1.945 54.195 52.037 0.356 0.000 0.628 414 A CB -0.825 18.317 19.000 0.237 0.000 0.814 414 A HN 0.665 nan 8.150 nan 0.000 0.444 415 T N -5.588 109.079 114.554 0.187 0.000 2.905 415 T HA 0.667 5.003 4.350 -0.025 0.000 0.283 415 T C 0.946 175.328 174.700 -0.530 0.000 1.031 415 T CA -0.098 61.849 62.100 -0.254 0.000 1.002 415 T CB 1.494 70.245 68.868 -0.194 0.000 1.200 415 T HN 0.498 nan 8.240 nan 0.000 0.560 416 A N -0.130 122.084 122.820 -1.010 0.000 2.119 416 A HA 0.330 4.635 4.320 -0.025 0.000 0.217 416 A C 1.083 178.526 177.584 -0.235 0.000 1.153 416 A CA 0.295 51.756 52.037 -0.959 0.000 0.692 416 A CB -0.854 17.565 19.000 -0.967 0.000 0.799 416 A HN 0.723 nan 8.150 nan 0.000 0.458 417 L N 1.121 122.273 121.223 -0.119 0.000 2.325 417 L HA 0.178 4.503 4.340 -0.025 0.000 0.284 417 L C -1.327 175.572 176.870 0.048 0.000 1.089 417 L CA -1.525 53.338 54.840 0.039 0.000 0.836 417 L CB 1.167 43.271 42.059 0.074 0.000 1.184 417 L HN 0.160 nan 8.230 nan 0.000 0.444 418 P HA -0.089 nan 4.420 nan 0.000 0.224 418 P C 0.131 177.414 177.300 -0.028 0.000 1.157 418 P CA 0.582 63.714 63.100 0.053 0.000 0.799 418 P CB 0.343 32.093 31.700 0.083 0.000 0.809 419 Q N 0.735 120.449 119.800 -0.142 0.000 2.641 419 Q HA 0.132 4.457 4.340 -0.025 0.000 0.225 419 Q C 0.522 176.479 176.000 -0.071 0.000 1.309 419 Q CA 0.313 55.952 55.803 -0.273 0.000 0.935 419 Q CB -0.190 27.990 28.738 -0.931 0.000 1.557 419 Q HN -0.011 nan 8.270 nan 0.000 0.563 420 R N 1.061 121.555 120.500 -0.009 0.000 2.694 420 R HA 0.115 4.441 4.340 -0.025 0.000 0.334 420 R C -0.303 176.014 176.300 0.029 0.000 1.143 420 R CA 0.098 56.217 56.100 0.031 0.000 1.073 420 R CB 0.611 30.932 30.300 0.035 0.000 1.366 420 R HN 0.394 nan 8.270 nan 0.000 0.577 421 D N -0.604 119.818 120.400 0.036 0.000 2.490 421 D HA 0.163 4.788 4.640 -0.025 0.000 0.246 421 D C -0.089 176.264 176.300 0.087 0.000 1.196 421 D CA 0.031 54.057 54.000 0.043 0.000 0.812 421 D CB 0.815 41.630 40.800 0.024 0.000 1.191 421 D HN 0.149 nan 8.370 nan 0.000 0.531 422 A N 0.714 123.627 122.820 0.155 0.000 2.351 422 A HA 0.492 4.797 4.320 -0.025 0.000 0.257 422 A C 1.276 179.029 177.584 0.282 0.000 1.087 422 A CA -0.198 52.003 52.037 0.273 0.000 0.798 422 A CB 0.127 19.423 19.000 0.493 0.000 1.033 422 A HN 0.287 nan 8.150 nan 0.000 0.488 423 I N -1.785 118.934 120.570 0.248 0.000 4.312 423 I HA 0.478 4.633 4.170 -0.025 0.000 0.324 423 I C -0.333 175.899 176.117 0.192 0.000 1.298 423 I CA 0.111 61.547 61.300 0.226 0.000 1.231 423 I CB 0.108 38.219 38.000 0.184 0.000 1.152 423 I HN 0.336 nan 8.210 nan 0.000 0.421 424 L N 1.681 122.996 121.223 0.152 0.000 2.472 424 L HA 0.536 4.861 4.340 -0.025 0.000 0.260 424 L C -1.017 175.854 176.870 0.000 0.000 0.963 424 L CA -0.604 54.250 54.840 0.024 0.000 0.829 424 L CB 2.663 44.688 42.059 -0.057 0.000 1.348 424 L HN -0.029 nan 8.230 nan 0.000 0.408 425 K N 2.178 122.526 120.400 -0.087 0.000 2.235 425 K HA 0.565 4.870 4.320 -0.025 0.000 0.266 425 K C -1.252 175.308 176.600 -0.067 0.000 0.980 425 K CA -0.570 55.584 56.287 -0.221 0.000 0.849 425 K CB 2.739 35.001 32.500 -0.396 0.000 1.098 425 K HN 0.251 nan 8.250 nan 0.000 0.445 426 V N 4.501 124.362 119.914 -0.089 0.000 2.409 426 V HA 0.341 4.447 4.120 -0.025 0.000 0.291 426 V C -1.160 174.760 176.094 -0.289 0.000 1.020 426 V CA -0.682 61.526 62.300 -0.153 0.000 0.848 426 V CB 1.334 33.073 31.823 -0.141 0.000 0.990 426 V HN 0.701 nan 8.190 nan 0.000 0.430 427 N N 5.133 123.610 118.700 -0.372 0.000 2.370 427 N HA 0.520 5.245 4.740 -0.025 0.000 0.303 427 N C -1.617 173.510 175.510 -0.639 0.000 1.103 427 N CA -0.150 52.634 53.050 -0.444 0.000 0.848 427 N CB 1.813 40.035 38.487 -0.442 0.000 1.235 427 N HN 0.648 nan 8.380 nan 0.000 0.496 428 Y N 1.285 121.515 120.300 -0.117 0.000 2.376 428 Y HA 0.522 5.059 4.550 -0.021 0.000 0.326 428 Y C 0.042 175.850 175.900 -0.154 0.000 0.970 428 Y CA -0.639 57.406 58.100 -0.092 0.000 1.248 428 Y CB 0.783 39.262 38.460 0.031 0.000 1.117 428 Y HN 0.238 nan 8.280 nan 0.000 0.476 429 I N 2.139 122.660 120.570 -0.082 0.000 2.530 429 I HA 0.615 4.770 4.170 -0.025 0.000 0.297 429 I C -0.061 176.120 176.117 0.107 0.000 1.011 429 I CA -0.744 60.486 61.300 -0.117 0.000 1.107 429 I CB 2.395 40.173 38.000 -0.370 0.000 1.285 429 I HN 0.449 nan 8.210 nan 0.000 0.436 430 T N 3.257 117.927 114.554 0.193 0.000 2.912 430 T HA 0.763 5.098 4.350 -0.025 0.000 0.299 430 T C -0.652 174.244 174.700 0.326 0.000 1.052 430 T CA -0.551 61.746 62.100 0.329 0.000 0.996 430 T CB 1.580 70.760 68.868 0.521 0.000 1.070 430 T HN 0.878 nan 8.240 nan 0.000 0.465 431 G N 2.539 111.543 108.800 0.340 0.000 2.563 431 G HA2 0.738 4.683 3.960 -0.025 0.000 0.302 431 G HA3 0.738 4.683 3.960 -0.025 0.000 0.302 431 G C -1.818 173.127 174.900 0.075 0.000 1.301 431 G CA -0.969 44.161 45.100 0.050 0.000 0.965 431 G HN 0.857 nan 8.290 nan 0.000 0.480 432 W N -0.155 120.961 121.300 -0.307 0.000 3.256 432 W HA 0.664 5.327 4.660 0.005 0.000 0.324 432 W C 0.307 176.687 176.519 -0.233 0.000 1.196 432 W CA -0.687 56.398 57.345 -0.433 0.000 1.206 432 W CB 1.465 30.353 29.460 -0.952 0.000 1.385 432 W HN 0.755 nan 8.180 nan 0.000 0.522 433 A N 1.678 124.501 122.820 0.005 0.000 1.930 433 A HA -0.016 4.289 4.320 -0.025 0.000 0.215 433 A C 0.662 178.263 177.584 0.028 0.000 1.176 433 A CA 0.893 52.911 52.037 -0.032 0.000 0.632 433 A CB -0.389 18.605 19.000 -0.009 0.000 0.819 433 A HN 0.664 nan 8.150 nan 0.000 0.445 434 N N -0.256 118.518 118.700 0.125 0.000 2.408 434 N HA 0.266 4.991 4.740 -0.025 0.000 0.280 434 N C -2.414 173.228 175.510 0.219 0.000 1.002 434 N CA -1.670 51.453 53.050 0.121 0.000 0.907 434 N CB 1.733 40.262 38.487 0.069 0.000 1.161 434 N HN -0.137 nan 8.380 nan 0.000 0.488 435 P HA -0.016 nan 4.420 nan 0.000 0.223 435 P C 1.133 178.453 177.300 0.035 0.000 1.144 435 P CA 0.713 63.913 63.100 0.168 0.000 0.783 435 P CB 0.138 31.894 31.700 0.093 0.000 0.771 436 G N -0.264 108.546 108.800 0.016 0.000 2.443 436 G HA2 -0.215 3.730 3.960 -0.025 0.000 0.219 436 G HA3 -0.215 3.730 3.960 -0.025 0.000 0.219 436 G C 1.061 175.921 174.900 -0.067 0.000 1.131 436 G CA 0.472 45.559 45.100 -0.022 0.000 0.775 436 G HN 0.346 nan 8.290 nan 0.000 0.547 437 N N -0.110 118.534 118.700 -0.094 0.000 2.276 437 N HA 0.142 4.867 4.740 -0.025 0.000 0.212 437 N C 1.489 176.772 175.510 -0.378 0.000 1.127 437 N CA -0.120 52.857 53.050 -0.121 0.000 0.834 437 N CB 0.444 38.959 38.487 0.045 0.000 1.014 437 N HN 0.394 nan 8.380 nan 0.000 0.491 438 E N 1.559 121.410 120.200 -0.582 0.000 2.038 438 E HA -0.239 4.096 4.350 -0.025 0.000 0.195 438 E C 1.895 178.122 176.600 -0.621 0.000 1.000 438 E CA 1.325 57.140 56.400 -0.975 0.000 0.803 438 E CB 0.023 29.459 29.700 -0.439 0.000 0.750 438 E HN 0.449 nan 8.360 nan 0.000 0.448 439 A N 1.149 123.783 122.820 -0.310 0.000 1.933 439 A HA -0.202 4.103 4.320 -0.025 0.000 0.218 439 A C 2.086 179.574 177.584 -0.160 0.000 1.175 439 A CA 1.903 53.827 52.037 -0.188 0.000 0.628 439 A CB -0.453 18.478 19.000 -0.115 0.000 0.814 439 A HN 0.174 nan 8.150 nan 0.000 0.444 440 K N -0.317 119.988 120.400 -0.158 0.000 2.063 440 K HA -0.204 4.102 4.320 -0.025 0.000 0.208 440 K C 1.710 178.208 176.600 -0.170 0.000 1.048 440 K CA 2.231 58.432 56.287 -0.142 0.000 0.928 440 K CB -0.528 31.885 32.500 -0.146 0.000 0.713 440 K HN 0.637 nan 8.250 nan 0.000 0.442 441 H N -0.352 118.542 119.070 -0.292 0.000 2.363 441 H HA 0.091 4.638 4.556 -0.015 0.000 0.301 441 H C 1.796 177.084 175.328 -0.066 0.000 1.074 441 H CA 1.601 57.532 56.048 -0.195 0.000 1.354 441 H CB -0.078 29.473 29.762 -0.351 0.000 1.397 441 H HN 0.044 nan 8.280 nan 0.000 0.516 442 L N -0.190 120.979 121.223 -0.089 0.000 2.042 442 L HA -0.215 4.110 4.340 -0.025 0.000 0.210 442 L C 2.247 179.128 176.870 0.017 0.000 1.076 442 L CA 1.708 56.531 54.840 -0.029 0.000 0.749 442 L CB -0.611 41.395 42.059 -0.088 0.000 0.893 442 L HN 0.348 nan 8.230 nan 0.000 0.432 443 T N -1.548 113.007 114.554 0.002 0.000 2.720 443 T HA -0.271 4.064 4.350 -0.025 0.000 0.268 443 T C 1.314 176.041 174.700 0.045 0.000 1.037 443 T CA 1.682 63.788 62.100 0.009 0.000 1.144 443 T CB -0.423 68.441 68.868 -0.006 0.000 0.864 443 T HN 0.518 nan 8.240 nan 0.000 0.444 444 W N 1.144 122.387 121.300 -0.094 0.000 2.379 444 W HA -0.032 4.591 4.660 -0.061 0.000 0.307 444 W C 2.304 178.792 176.519 -0.053 0.000 1.200 444 W CA 0.474 57.767 57.345 -0.087 0.000 1.297 444 W CB -0.639 28.747 29.460 -0.123 0.000 1.140 444 W HN -0.003 nan 8.180 nan 0.000 0.507 445 V N 1.560 121.542 119.914 0.114 0.000 2.548 445 V HA -0.187 3.918 4.120 -0.025 0.000 0.249 445 V C 2.320 178.323 176.094 -0.150 0.000 1.055 445 V CA 2.046 64.301 62.300 -0.076 0.000 1.065 445 V CB -0.430 31.504 31.823 0.184 0.000 0.681 445 V HN 0.175 nan 8.190 nan 0.000 0.462 446 R N -0.369 120.080 120.500 -0.085 0.000 2.119 446 R HA -0.060 4.266 4.340 -0.025 0.000 0.222 446 R C 2.413 178.659 176.300 -0.090 0.000 1.088 446 R CA 1.214 57.275 56.100 -0.064 0.000 0.984 446 R CB -0.262 30.016 30.300 -0.037 0.000 0.884 446 R HN 0.408 nan 8.270 nan 0.000 0.447 447 K N 1.088 121.389 120.400 -0.165 0.000 2.097 447 K HA -0.080 4.226 4.320 -0.025 0.000 0.205 447 K C 2.013 178.432 176.600 -0.302 0.000 1.050 447 K CA 0.846 57.010 56.287 -0.205 0.000 0.938 447 K CB 0.015 32.391 32.500 -0.207 0.000 0.718 447 K HN 0.146 nan 8.250 nan 0.000 0.442 448 L N 0.207 121.149 121.223 -0.469 0.000 2.017 448 L HA -0.226 4.099 4.340 -0.025 0.000 0.208 448 L C 2.329 178.938 176.870 -0.434 0.000 1.073 448 L CA 1.485 56.010 54.840 -0.525 0.000 0.745 448 L CB -0.377 41.240 42.059 -0.737 0.000 0.894 448 L HN 0.252 nan 8.230 nan 0.000 0.432 449 Y N 0.055 120.053 120.300 -0.505 0.000 2.181 449 Y HA -0.265 4.267 4.550 -0.029 0.000 0.288 449 Y C 2.406 178.168 175.900 -0.232 0.000 1.146 449 Y CA 1.655 59.480 58.100 -0.457 0.000 1.164 449 Y CB -0.319 37.979 38.460 -0.271 0.000 0.982 449 Y HN 0.248 nan 8.280 nan 0.000 0.515 450 A N -0.621 122.160 122.820 -0.064 0.000 2.014 450 A HA -0.109 4.197 4.320 -0.025 0.000 0.218 450 A C 1.753 179.254 177.584 -0.139 0.000 1.163 450 A CA 1.724 53.722 52.037 -0.065 0.000 0.652 450 A CB -0.554 18.430 19.000 -0.025 0.000 0.808 450 A HN 0.458 nan 8.150 nan 0.000 0.449 451 D N -0.495 119.785 120.400 -0.200 0.000 2.123 451 D HA -0.053 4.572 4.640 -0.025 0.000 0.200 451 D C 2.019 178.169 176.300 -0.249 0.000 0.976 451 D CA 1.109 54.990 54.000 -0.198 0.000 0.831 451 D CB -0.207 40.472 40.800 -0.201 0.000 0.974 451 D HN 0.188 nan 8.370 nan 0.000 0.469 452 V N 0.058 119.731 119.914 -0.402 0.000 2.270 452 V HA -0.218 3.888 4.120 -0.025 0.000 0.245 452 V C 0.976 176.714 176.094 -0.593 0.000 1.043 452 V CA 1.351 63.309 62.300 -0.571 0.000 1.014 452 V CB -0.502 30.781 31.823 -0.900 0.000 0.645 452 V HN 0.240 nan 8.190 nan 0.000 0.447 453 Y N -0.031 120.091 120.300 -0.297 0.000 2.801 453 Y HA 0.569 5.103 4.550 -0.027 0.000 0.340 453 Y C 1.683 177.484 175.900 -0.166 0.000 1.088 453 Y CA -0.070 57.886 58.100 -0.241 0.000 1.444 453 Y CB -0.903 37.346 38.460 -0.351 0.000 1.251 453 Y HN 0.116 nan 8.280 nan 0.000 0.522 454 A N 0.057 122.841 122.820 -0.060 0.000 1.933 454 A HA -0.192 4.113 4.320 -0.025 0.000 0.218 454 A C 2.061 179.634 177.584 -0.019 0.000 1.175 454 A CA 1.656 53.667 52.037 -0.044 0.000 0.628 454 A CB -0.195 18.765 19.000 -0.067 0.000 0.814 454 A HN 0.541 nan 8.150 nan 0.000 0.444 455 E N -0.529 119.664 120.200 -0.012 0.000 2.208 455 E HA -0.082 4.253 4.350 -0.025 0.000 0.193 455 E C 0.833 177.437 176.600 0.007 0.000 0.988 455 E CA 1.271 57.669 56.400 -0.003 0.000 0.828 455 E CB -0.142 29.557 29.700 -0.002 0.000 0.763 455 E HN 0.742 nan 8.360 nan 0.000 0.478 456 T N -2.371 112.195 114.554 0.019 0.000 3.242 456 T HA 0.428 4.764 4.350 -0.025 0.000 0.253 456 T C 0.928 175.628 174.700 0.000 0.000 0.946 456 T CA -0.051 62.055 62.100 0.010 0.000 0.944 456 T CB 0.492 69.368 68.868 0.012 0.000 1.122 456 T HN 0.177 nan 8.240 nan 0.000 0.546 457 G N 0.355 109.156 108.800 0.002 0.000 2.198 457 G HA2 0.075 4.020 3.960 -0.025 0.000 0.260 457 G HA3 0.075 4.020 3.960 -0.025 0.000 0.260 457 G C 1.102 176.007 174.900 0.009 0.000 1.025 457 G CA 0.310 45.411 45.100 0.002 0.000 0.769 457 G HN 1.909 nan 8.290 nan 0.000 0.507 458 G N -3.133 105.675 108.800 0.013 0.000 2.217 458 G HA2 0.090 4.035 3.960 -0.025 0.000 0.246 458 G HA3 0.090 4.035 3.960 -0.025 0.000 0.246 458 G C 0.905 175.809 174.900 0.007 0.000 0.990 458 G CA 1.401 46.516 45.100 0.025 0.000 0.627 458 G HN 2.363 nan 8.290 nan 0.000 0.522 459 V N -2.791 117.090 119.914 -0.055 0.000 2.914 459 V HA 0.875 4.980 4.120 -0.025 0.000 0.314 459 V C -2.408 173.421 176.094 -0.441 0.000 1.084 459 V CA -2.289 59.883 62.300 -0.214 0.000 0.963 459 V CB 2.232 34.028 31.823 -0.046 0.000 1.025 459 V HN 0.065 nan 8.190 nan 0.000 0.432 460 P HA 0.146 nan 4.420 nan 0.000 0.241 460 P C 0.028 177.162 177.300 -0.277 0.000 1.760 460 P CA 0.104 62.752 63.100 -0.753 0.000 1.081 460 P CB 0.110 31.270 31.700 -0.901 0.000 1.975 461 V N 4.824 124.639 119.914 -0.164 0.000 2.540 461 V HA 0.018 4.124 4.120 -0.025 0.000 0.297 461 V C -1.682 174.380 176.094 -0.053 0.000 1.024 461 V CA -1.153 61.093 62.300 -0.090 0.000 1.105 461 V CB -0.450 31.339 31.823 -0.056 0.000 0.938 461 V HN 0.292 nan 8.190 nan 0.000 0.482 462 P HA -0.026 nan 4.420 nan 0.000 0.257 462 P C -0.186 177.112 177.300 -0.003 0.000 1.153 462 P CA 0.907 63.995 63.100 -0.020 0.000 0.762 462 P CB 0.272 31.959 31.700 -0.023 0.000 0.743 463 N N 1.744 120.452 118.700 0.013 0.000 3.506 463 N HA 0.186 4.912 4.740 -0.025 0.000 0.331 463 N C 0.117 175.645 175.510 0.030 0.000 1.631 463 N CA -0.648 52.416 53.050 0.022 0.000 0.786 463 N CB 0.859 39.366 38.487 0.033 0.000 2.023 463 N HN 0.055 nan 8.380 nan 0.000 0.621 464 D N -0.589 119.831 120.400 0.033 0.000 2.323 464 D HA 0.074 4.699 4.640 -0.025 0.000 0.209 464 D C 1.200 177.529 176.300 0.049 0.000 0.973 464 D CA 0.730 54.751 54.000 0.035 0.000 0.874 464 D CB 0.413 41.230 40.800 0.029 0.000 0.930 464 D HN 0.144 nan 8.370 nan 0.000 0.521 465 V N -0.853 119.097 119.914 0.060 0.000 2.743 465 V HA 0.116 4.222 4.120 -0.025 0.000 0.237 465 V C 0.959 177.119 176.094 0.110 0.000 1.113 465 V CA 0.346 62.696 62.300 0.083 0.000 1.141 465 V CB 0.147 32.021 31.823 0.085 0.000 0.873 465 V HN -0.068 nan 8.190 nan 0.000 0.486 466 S N 0.564 116.329 115.700 0.108 0.000 2.646 466 S HA 0.374 4.829 4.470 -0.025 0.000 0.276 466 S C 0.406 175.048 174.600 0.069 0.000 1.222 466 S CA -0.173 58.094 58.200 0.112 0.000 1.014 466 S CB 1.650 64.896 63.200 0.077 0.000 0.991 466 S HN 0.494 nan 8.310 nan 0.000 0.533 467 D N -0.614 119.835 120.400 0.083 0.000 2.525 467 D HA 0.352 4.977 4.640 -0.025 0.000 0.231 467 D C 0.665 176.948 176.300 -0.029 0.000 1.216 467 D CA 0.914 54.919 54.000 0.008 0.000 0.813 467 D CB 0.524 41.299 40.800 -0.042 0.000 1.108 467 D HN 0.809 nan 8.370 nan 0.000 0.524 468 G N 0.118 108.942 108.800 0.041 0.000 2.295 468 G HA2 0.392 4.337 3.960 -0.025 0.000 0.195 468 G HA3 0.392 4.337 3.960 -0.025 0.000 0.195 468 G C -0.972 174.023 174.900 0.158 0.000 1.269 468 G CA -0.143 44.959 45.100 0.004 0.000 1.170 468 G HN 0.559 nan 8.290 nan 0.000 0.511 469 A N -1.323 121.537 122.820 0.066 0.000 2.435 469 A HA 0.829 5.134 4.320 -0.025 0.000 0.296 469 A C -1.432 176.413 177.584 0.434 0.000 1.147 469 A CA -0.266 51.818 52.037 0.079 0.000 0.775 469 A CB 1.831 20.544 19.000 -0.479 0.000 1.340 469 A HN 2.099 nan 8.150 nan 0.000 0.427 470 Y N 1.048 121.559 120.300 0.352 0.000 2.328 470 Y HA 0.490 5.025 4.550 -0.025 0.000 0.336 470 Y C 0.548 176.694 175.900 0.410 0.000 0.960 470 Y CA -1.364 56.956 58.100 0.365 0.000 1.134 470 Y CB 1.405 39.860 38.460 -0.008 0.000 1.166 470 Y HN 0.565 nan 8.280 nan 0.000 0.464 471 I N 4.139 124.698 120.570 -0.019 0.000 2.614 471 I HA -0.190 3.966 4.170 -0.025 0.000 0.258 471 I C 1.258 177.139 176.117 -0.394 0.000 1.189 471 I CA 1.336 62.466 61.300 -0.284 0.000 1.462 471 I CB -0.283 37.582 38.000 -0.226 0.000 1.092 471 I HN 0.689 nan 8.210 nan 0.000 0.442 472 N N -0.239 117.908 118.700 -0.920 0.000 2.512 472 N HA -0.089 4.636 4.740 -0.025 0.000 0.183 472 N C -0.409 174.980 175.510 -0.202 0.000 1.073 472 N CA 0.671 53.327 53.050 -0.657 0.000 0.911 472 N CB -0.032 37.967 38.487 -0.813 0.000 0.964 472 N HN 0.301 nan 8.380 nan 0.000 0.447 473 Y N 1.059 121.346 120.300 -0.022 0.000 2.902 473 Y HA 0.385 4.921 4.550 -0.023 0.000 0.353 473 Y C -2.085 173.960 175.900 0.241 0.000 1.116 473 Y CA -3.727 54.560 58.100 0.311 0.000 1.222 473 Y CB -0.018 38.619 38.460 0.295 0.000 1.302 473 Y HN -0.047 nan 8.280 nan 0.000 0.590 474 P HA 0.133 nan 4.420 nan 0.000 0.275 474 P C -0.392 177.009 177.300 0.169 0.000 1.228 474 P CA -0.028 63.175 63.100 0.172 0.000 0.786 474 P CB 1.750 33.438 31.700 -0.019 0.000 0.927 475 D N 0.857 121.402 120.400 0.242 0.000 2.386 475 D HA 0.110 4.735 4.640 -0.025 0.000 0.247 475 D C 0.951 177.318 176.300 0.112 0.000 1.336 475 D CA -0.406 53.668 54.000 0.124 0.000 0.976 475 D CB 0.793 41.638 40.800 0.074 0.000 1.257 475 D HN 0.165 nan 8.370 nan 0.000 0.570 476 S N 1.941 117.665 115.700 0.041 0.000 2.515 476 S HA -0.111 4.345 4.470 -0.025 0.000 0.231 476 S C 1.055 175.663 174.600 0.014 0.000 0.987 476 S CA 0.455 58.663 58.200 0.015 0.000 0.936 476 S CB 0.098 63.303 63.200 0.009 0.000 0.766 476 S HN 0.308 nan 8.310 nan 0.000 0.528 477 D N 2.159 122.567 120.400 0.014 0.000 2.219 477 D HA 0.044 4.669 4.640 -0.025 0.000 0.205 477 D C 1.684 178.009 176.300 0.041 0.000 0.970 477 D CA 0.698 54.702 54.000 0.007 0.000 0.851 477 D CB -0.360 40.413 40.800 -0.044 0.000 0.943 477 D HN 0.428 nan 8.370 nan 0.000 0.488 478 L N -0.049 121.221 121.223 0.077 0.000 2.291 478 L HA 0.017 4.342 4.340 -0.025 0.000 0.214 478 L C 2.117 179.109 176.870 0.203 0.000 1.120 478 L CA 0.749 55.676 54.840 0.145 0.000 0.799 478 L CB -0.243 41.933 42.059 0.196 0.000 0.925 478 L HN -0.007 nan 8.230 nan 0.000 0.446 479 A N -1.851 121.050 122.820 0.134 0.000 2.169 479 A HA -0.023 4.282 4.320 -0.025 0.000 0.210 479 A C 0.856 178.498 177.584 0.097 0.000 1.168 479 A CA -0.061 52.048 52.037 0.120 0.000 0.813 479 A CB -0.057 18.826 19.000 -0.195 0.000 0.861 479 A HN 0.212 nan 8.150 nan 0.000 0.481 480 D N 0.675 121.114 120.400 0.064 0.000 2.348 480 D HA 0.151 4.777 4.640 -0.025 0.000 0.253 480 D C -1.570 174.767 176.300 0.061 0.000 1.161 480 D CA -1.505 52.527 54.000 0.053 0.000 0.876 480 D CB 1.495 42.316 40.800 0.035 0.000 1.160 480 D HN 0.079 nan 8.370 nan 0.000 0.459 481 P HA -0.036 nan 4.420 nan 0.000 0.223 481 P C 1.169 178.492 177.300 0.039 0.000 1.151 481 P CA 0.526 63.657 63.100 0.052 0.000 0.787 481 P CB 0.269 31.998 31.700 0.049 0.000 0.788 482 G N -0.377 108.443 108.800 0.034 0.000 2.511 482 G HA2 -0.057 3.888 3.960 -0.025 0.000 0.217 482 G HA3 -0.057 3.888 3.960 -0.025 0.000 0.217 482 G C 1.279 176.194 174.900 0.025 0.000 1.133 482 G CA 0.250 45.365 45.100 0.025 0.000 0.792 482 G HN 0.138 nan 8.290 nan 0.000 0.539 483 L N -0.187 121.056 121.223 0.033 0.000 2.638 483 L HA 0.281 4.607 4.340 -0.025 0.000 0.232 483 L C 0.151 177.057 176.870 0.059 0.000 1.099 483 L CA 0.309 55.172 54.840 0.038 0.000 0.883 483 L CB -0.297 41.779 42.059 0.027 0.000 1.136 483 L HN 0.130 nan 8.230 nan 0.000 0.492 484 N N 0.311 119.045 118.700 0.058 0.000 2.800 484 N HA 0.074 4.800 4.740 -0.025 0.000 0.240 484 N C 1.108 176.643 175.510 0.042 0.000 1.096 484 N CA 0.231 53.318 53.050 0.061 0.000 0.877 484 N CB 0.858 39.389 38.487 0.074 0.000 1.138 484 N HN 0.107 nan 8.380 nan 0.000 0.509 485 T N -1.390 113.184 114.554 0.033 0.000 2.951 485 T HA -0.051 4.284 4.350 -0.025 0.000 0.268 485 T C 1.070 175.779 174.700 0.015 0.000 1.073 485 T CA 0.519 62.631 62.100 0.021 0.000 1.134 485 T CB -0.369 68.507 68.868 0.014 0.000 0.884 485 T HN 0.414 nan 8.240 nan 0.000 0.479 486 S N 0.807 116.514 115.700 0.012 0.000 2.593 486 S HA 0.481 4.936 4.470 -0.025 0.000 0.269 486 S C 1.604 176.205 174.600 0.002 0.000 1.334 486 S CA -0.323 57.879 58.200 0.002 0.000 1.015 486 S CB 0.993 64.188 63.200 -0.008 0.000 0.912 486 S HN 0.369 nan 8.310 nan 0.000 0.541 487 G N 0.232 109.030 108.800 -0.003 0.000 2.598 487 G HA2 0.135 4.081 3.960 -0.025 0.000 0.215 487 G HA3 0.135 4.081 3.960 -0.025 0.000 0.215 487 G C 0.220 175.107 174.900 -0.022 0.000 1.131 487 G CA -0.049 45.048 45.100 -0.004 0.000 0.785 487 G HN 0.677 nan 8.290 nan 0.000 0.539 488 V N 3.669 123.560 119.914 -0.038 0.000 2.446 488 V HA 0.164 4.269 4.120 -0.025 0.000 0.276 488 V C -1.394 174.635 176.094 -0.108 0.000 1.030 488 V CA -1.508 60.745 62.300 -0.080 0.000 1.033 488 V CB 1.013 32.789 31.823 -0.079 0.000 0.993 488 V HN 0.153 nan 8.190 nan 0.000 0.477 489 P HA 0.061 nan 4.420 nan 0.000 0.274 489 P C 0.942 178.036 177.300 -0.345 0.000 1.256 489 P CA -0.490 62.434 63.100 -0.295 0.000 0.795 489 P CB 0.680 32.018 31.700 -0.603 0.000 1.038 490 W N 2.393 123.578 121.300 -0.192 0.000 2.338 490 W HA -0.228 4.417 4.660 -0.024 0.000 0.304 490 W C 1.498 178.030 176.519 0.022 0.000 1.212 490 W CA 1.855 59.186 57.345 -0.024 0.000 1.264 490 W CB -2.348 27.204 29.460 0.155 0.000 1.142 490 W HN 0.515 nan 8.180 nan 0.000 0.512 491 H N -0.503 117.934 119.070 -1.055 0.000 2.495 491 H HA 0.007 4.549 4.556 -0.024 0.000 0.287 491 H C 1.222 176.262 175.328 -0.480 0.000 1.033 491 H CA 1.501 56.919 56.048 -1.050 0.000 1.307 491 H CB -0.992 27.740 29.762 -1.718 0.000 1.401 491 H HN -0.020 nan 8.280 nan 0.000 0.555 492 D N 0.571 120.635 120.400 -0.561 0.000 2.194 492 D HA -0.034 4.591 4.640 -0.025 0.000 0.204 492 D C 2.007 178.224 176.300 -0.139 0.000 0.964 492 D CA 0.651 54.508 54.000 -0.239 0.000 0.846 492 D CB 0.008 40.654 40.800 -0.257 0.000 0.962 492 D HN 0.400 nan 8.370 nan 0.000 0.490 493 L N -0.628 120.484 121.223 -0.185 0.000 2.109 493 L HA -0.135 4.190 4.340 -0.025 0.000 0.207 493 L C 2.065 178.806 176.870 -0.215 0.000 1.086 493 L CA 0.905 55.625 54.840 -0.200 0.000 0.760 493 L CB -0.308 41.592 42.059 -0.265 0.000 0.910 493 L HN 0.042 nan 8.230 nan 0.000 0.437 494 Y N -1.938 118.287 120.300 -0.124 0.000 2.231 494 Y HA -0.119 4.415 4.550 -0.026 0.000 0.294 494 Y C 1.958 177.697 175.900 -0.269 0.000 1.120 494 Y CA 1.182 59.126 58.100 -0.260 0.000 1.141 494 Y CB -0.158 37.959 38.460 -0.573 0.000 1.022 494 Y HN 0.016 nan 8.280 nan 0.000 0.523 495 Y N -1.191 119.246 120.300 0.229 0.000 2.498 495 Y HA 0.185 4.721 4.550 -0.023 0.000 0.259 495 Y C 1.229 177.214 175.900 0.143 0.000 1.086 495 Y CA -0.794 57.421 58.100 0.192 0.000 1.287 495 Y CB -0.131 38.480 38.460 0.252 0.000 1.146 495 Y HN -0.136 nan 8.280 nan 0.000 0.523 496 K N -0.694 119.830 120.400 0.207 0.000 1.779 496 K HA -0.307 3.998 4.320 -0.025 0.000 0.128 496 K C 1.641 178.355 176.600 0.189 0.000 1.288 496 K CA 1.240 57.609 56.287 0.136 0.000 0.398 496 K CB -1.625 30.924 32.500 0.081 0.000 0.609 496 K HN 0.397 nan 8.250 nan 0.000 0.874 497 G N 0.686 109.580 108.800 0.157 0.000 2.598 497 G HA2 -0.163 3.782 3.960 -0.025 0.000 0.215 497 G HA3 -0.163 3.782 3.960 -0.025 0.000 0.215 497 G C 0.941 175.958 174.900 0.195 0.000 1.131 497 G CA 0.889 46.080 45.100 0.152 0.000 0.785 497 G HN 0.359 nan 8.290 nan 0.000 0.539 498 N N -0.024 118.840 118.700 0.274 0.000 2.463 498 N HA -0.019 4.706 4.740 -0.025 0.000 0.181 498 N C 1.609 177.315 175.510 0.326 0.000 1.078 498 N CA 0.431 53.707 53.050 0.376 0.000 0.902 498 N CB -0.169 38.594 38.487 0.459 0.000 0.970 498 N HN 0.510 nan 8.380 nan 0.000 0.451 499 H N 1.798 120.982 119.070 0.189 0.000 2.290 499 H HA -0.015 4.527 4.556 -0.024 0.000 0.298 499 H C -0.849 174.497 175.328 0.030 0.000 1.087 499 H CA 1.700 57.805 56.048 0.095 0.000 1.291 499 H CB -0.848 29.009 29.762 0.159 0.000 1.369 499 H HN 0.109 nan 8.280 nan 0.000 0.492 500 P HA -0.164 nan 4.420 nan 0.000 0.216 500 P C 1.313 178.532 177.300 -0.135 0.000 1.150 500 P CA 1.837 64.861 63.100 -0.126 0.000 0.843 500 P CB -0.093 31.595 31.700 -0.020 0.000 0.787 501 R N -0.391 120.056 120.500 -0.088 0.000 2.115 501 R HA -0.016 4.310 4.340 -0.025 0.000 0.226 501 R C 2.134 178.413 176.300 -0.034 0.000 1.100 501 R CA 0.925 56.946 56.100 -0.131 0.000 0.980 501 R CB -0.721 29.371 30.300 -0.346 0.000 0.875 501 R HN 0.163 nan 8.270 nan 0.000 0.445 502 L N 0.112 121.351 121.223 0.026 0.000 2.156 502 L HA -0.084 4.242 4.340 -0.025 0.000 0.208 502 L C 2.469 179.339 176.870 -0.001 0.000 1.095 502 L CA 1.214 56.090 54.840 0.060 0.000 0.770 502 L CB -0.202 41.804 42.059 -0.089 0.000 0.914 502 L HN 0.155 nan 8.230 nan 0.000 0.439 503 R N -0.097 120.297 120.500 -0.177 0.000 2.092 503 R HA -0.167 4.158 4.340 -0.025 0.000 0.231 503 R C 2.234 178.513 176.300 -0.035 0.000 1.119 503 R CA 1.047 57.061 56.100 -0.144 0.000 0.970 503 R CB -0.263 29.880 30.300 -0.262 0.000 0.864 503 R HN 0.240 nan 8.270 nan 0.000 0.440 504 K N 0.885 121.260 120.400 -0.040 0.000 2.097 504 K HA -0.110 4.195 4.320 -0.025 0.000 0.206 504 K C 1.893 178.528 176.600 0.059 0.000 1.049 504 K CA 1.189 57.470 56.287 -0.010 0.000 0.933 504 K CB 0.153 32.627 32.500 -0.042 0.000 0.717 504 K HN -0.001 nan 8.250 nan 0.000 0.442 505 V N 1.178 121.160 119.914 0.112 0.000 2.379 505 V HA -0.191 3.914 4.120 -0.025 0.000 0.245 505 V C 2.256 178.559 176.094 0.348 0.000 1.044 505 V CA 1.807 64.246 62.300 0.232 0.000 1.036 505 V CB -0.418 31.471 31.823 0.109 0.000 0.664 505 V HN 0.316 nan 8.190 nan 0.000 0.453 506 K N 1.669 122.266 120.400 0.329 0.000 2.032 506 K HA -0.151 4.154 4.320 -0.025 0.000 0.209 506 K C 1.995 178.717 176.600 0.203 0.000 1.048 506 K CA 2.034 58.512 56.287 0.318 0.000 0.927 506 K CB -0.739 31.858 32.500 0.160 0.000 0.712 506 K HN 0.375 nan 8.250 nan 0.000 0.441 507 A N -0.046 122.843 122.820 0.114 0.000 2.067 507 A HA 0.083 4.389 4.320 -0.025 0.000 0.219 507 A C 2.226 179.833 177.584 0.039 0.000 1.158 507 A CA 1.647 53.720 52.037 0.060 0.000 0.661 507 A CB -0.681 18.331 19.000 0.019 0.000 0.801 507 A HN 0.454 nan 8.150 nan 0.000 0.452 508 A N -1.908 120.933 122.820 0.034 0.000 1.935 508 A HA 0.184 4.489 4.320 -0.025 0.000 0.214 508 A C 1.830 179.274 177.584 -0.233 0.000 1.178 508 A CA 1.162 53.116 52.037 -0.137 0.000 0.640 508 A CB -0.368 18.491 19.000 -0.235 0.000 0.825 508 A HN 0.543 nan 8.150 nan 0.000 0.447 509 Y N -1.712 118.665 120.300 0.127 0.000 2.462 509 Y HA 0.243 4.779 4.550 -0.025 0.000 0.253 509 Y C 0.291 176.296 175.900 0.175 0.000 1.095 509 Y CA 0.110 58.295 58.100 0.141 0.000 1.283 509 Y CB 0.775 39.324 38.460 0.148 0.000 1.138 509 Y HN 0.255 nan 8.280 nan 0.000 0.522 510 D N 0.065 120.651 120.400 0.310 0.000 2.656 510 D HA 0.198 4.823 4.640 -0.025 0.000 0.303 510 D C -2.209 174.192 176.300 0.169 0.000 1.199 510 D CA -2.110 52.057 54.000 0.278 0.000 0.797 510 D CB 0.813 41.826 40.800 0.356 0.000 1.170 510 D HN -0.033 nan 8.370 nan 0.000 0.509 511 P HA -0.045 nan 4.420 nan 0.000 0.225 511 P C 0.990 178.319 177.300 0.049 0.000 1.156 511 P CA 0.365 63.502 63.100 0.062 0.000 0.787 511 P CB 0.375 32.095 31.700 0.034 0.000 0.802 512 R N -0.682 119.855 120.500 0.063 0.000 2.313 512 R HA 0.048 4.373 4.340 -0.025 0.000 0.199 512 R C 0.488 176.818 176.300 0.050 0.000 0.958 512 R CA 0.081 56.209 56.100 0.047 0.000 1.047 512 R CB -0.876 29.449 30.300 0.041 0.000 0.955 512 R HN 0.059 nan 8.270 nan 0.000 0.481 513 N N 0.573 119.313 118.700 0.066 0.000 2.725 513 N HA -0.269 4.456 4.740 -0.025 0.000 0.251 513 N C 0.488 176.037 175.510 0.066 0.000 1.031 513 N CA 0.516 53.590 53.050 0.040 0.000 0.720 513 N CB -1.183 37.267 38.487 -0.062 0.000 0.930 513 N HN 0.435 nan 8.380 nan 0.000 0.543 514 H N -0.940 118.102 119.070 -0.045 0.000 2.470 514 H HA 0.049 4.590 4.556 -0.024 0.000 0.289 514 H C -0.274 174.849 175.328 -0.342 0.000 1.033 514 H CA 0.917 56.823 56.048 -0.237 0.000 1.331 514 H CB 0.166 29.641 29.762 -0.478 0.000 1.414 514 H HN 0.291 nan 8.280 nan 0.000 0.545 515 F N 2.947 122.963 119.950 0.110 0.000 2.361 515 F HA 0.284 4.796 4.527 -0.025 0.000 0.364 515 F C 0.353 176.116 175.800 -0.061 0.000 1.117 515 F CA -0.601 57.385 58.000 -0.024 0.000 1.071 515 F CB 0.705 39.701 39.000 -0.007 0.000 1.188 515 F HN 0.159 nan 8.300 nan 0.000 0.464 516 H N 1.876 120.883 119.070 -0.105 0.000 3.017 516 H HA 0.584 5.125 4.556 -0.025 0.000 0.346 516 H C -1.464 173.698 175.328 -0.276 0.000 1.286 516 H CA -0.841 55.038 56.048 -0.282 0.000 1.120 516 H CB 2.161 31.793 29.762 -0.216 0.000 1.860 516 H HN 0.718 nan 8.280 nan 0.000 0.542 517 H N -0.964 117.966 119.070 -0.234 0.000 3.318 517 H HA 0.549 5.090 4.556 -0.025 0.000 0.291 517 H C 0.309 175.455 175.328 -0.303 0.000 1.628 517 H CA -0.358 55.480 56.048 -0.349 0.000 1.202 517 H CB 0.976 30.337 29.762 -0.669 0.000 1.802 517 H HN 0.561 nan 8.280 nan 0.000 0.671 518 A N 0.291 123.100 122.820 -0.019 0.000 1.940 518 A HA -0.057 4.249 4.320 -0.025 0.000 0.219 518 A C 1.183 178.604 177.584 -0.273 0.000 1.176 518 A CA 1.745 53.768 52.037 -0.024 0.000 0.631 518 A CB -0.453 18.653 19.000 0.177 0.000 0.814 518 A HN 0.249 nan 8.150 nan 0.000 0.446 519 L N 0.920 121.933 121.223 -0.350 0.000 3.100 519 L HA 0.236 4.561 4.340 -0.025 0.000 0.259 519 L C 0.589 177.134 176.870 -0.541 0.000 1.316 519 L CA 0.031 54.408 54.840 -0.772 0.000 0.992 519 L CB 0.195 41.959 42.059 -0.490 0.000 1.390 519 L HN 0.351 nan 8.230 nan 0.000 0.550 520 S N -1.154 114.208 115.700 -0.563 0.000 2.610 520 S HA 0.621 5.076 4.470 -0.025 0.000 0.273 520 S C 0.277 174.947 174.600 0.117 0.000 1.274 520 S CA -0.676 57.241 58.200 -0.472 0.000 1.023 520 S CB 1.262 64.076 63.200 -0.642 0.000 0.962 520 S HN 0.188 nan 8.310 nan 0.000 0.523 521 I N 2.010 122.631 120.570 0.085 0.000 2.533 521 I HA 0.224 4.379 4.170 -0.025 0.000 0.284 521 I C 0.540 176.696 176.117 0.065 0.000 1.109 521 I CA 0.035 61.425 61.300 0.150 0.000 1.412 521 I CB 0.202 38.194 38.000 -0.014 0.000 1.396 521 I HN 0.485 nan 8.210 nan 0.000 0.543 522 R N 7.435 127.999 120.500 0.106 0.000 2.343 522 R HA 0.499 4.824 4.340 -0.025 0.000 0.320 522 R C -2.385 173.913 176.300 -0.004 0.000 0.956 522 R CA -1.536 54.593 56.100 0.048 0.000 0.836 522 R CB 1.098 31.453 30.300 0.092 0.000 1.151 522 R HN 0.288 nan 8.270 nan 0.000 0.450 523 P HA 0.000 nan 4.420 nan 0.000 0.216 523 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 523 P CB 0.000 31.692 31.700 -0.013 0.000 0.726