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 2xzi_1_B DATA FIRST_RESID 23 DATA SEQUENCE DPAKSAAPYH DEFPLFRSAN MASPDKLSTG IGFHSFRIPA VVRTTTGRIL DATA SEQUENCE AFAEGRRHTN QDFGDINLVY KRTKTTANNG ASPSDWEPLR EVVGSGAGTW DATA SEQUENCE GNPTPVVDDD NTIYLFLSWN GATYSQNGKD VLPDGTVTKK IDSTWEGRRH DATA SEQUENCE LYLTESRDDG NTWSKPVDLT KELTPDGWAW DAVGPGNGIR LTTGELVIPA DATA SEQUENCE MGRNIIGRGA PGNRTWSVQR LSGAGAEGTI VQTPDGKLYR NDRPSQKGYR DATA SEQUENCE MVARGTLEGF GAFAPDAGLP DPACQGSVLR YNSDAPARTI FLNSASGTSR DATA SEQUENCE RAMRVRISYD ADAKKFNYGR KLEDAKVSGA GHEGGYSSMT KTGDYKIGAL DATA SEQUENCE VESDFFNDGT GKNSYRAIIW RRFNLSWILN GPNN 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 23 D HA 0.000 nan 4.640 nan 0.000 0.175 23 D C 0.000 176.317 176.300 0.028 0.000 2.045 23 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 23 D CB 0.000 40.848 40.800 0.080 0.000 0.688 24 P HA -0.017 nan 4.420 nan 0.000 0.225 24 P C 1.019 178.351 177.300 0.053 0.000 1.148 24 P CA 0.479 63.601 63.100 0.036 0.000 0.779 24 P CB 0.236 31.956 31.700 0.034 0.000 0.780 25 A N 0.368 123.233 122.820 0.076 0.000 2.119 25 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 25 A C 2.307 179.943 177.584 0.086 0.000 1.153 25 A CA 0.996 53.086 52.037 0.088 0.000 0.692 25 A CB -0.893 18.171 19.000 0.107 0.000 0.799 25 A HN 0.148 nan 8.150 nan 0.000 0.458 26 K N 0.669 121.113 120.400 0.074 0.000 2.211 26 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 26 K C 1.997 178.635 176.600 0.062 0.000 1.050 26 K CA 1.524 57.852 56.287 0.068 0.000 0.945 26 K CB -0.111 32.419 32.500 0.049 0.000 0.732 26 K HN 0.598 nan 8.250 nan 0.000 0.451 27 S N -0.149 115.583 115.700 0.054 0.000 2.522 27 S HA 0.136 4.606 4.470 -0.000 0.000 0.227 27 S C 0.749 175.385 174.600 0.060 0.000 0.986 27 S CA 0.027 58.256 58.200 0.048 0.000 0.929 27 S CB -0.077 63.144 63.200 0.035 0.000 0.769 27 S HN 0.302 nan 8.310 nan 0.000 0.529 28 A N 1.695 124.559 122.820 0.074 0.000 2.483 28 A HA 0.633 4.953 4.320 -0.000 0.000 0.238 28 A C 0.751 178.402 177.584 0.112 0.000 1.070 28 A CA -0.000 52.090 52.037 0.089 0.000 0.770 28 A CB -0.478 18.581 19.000 0.099 0.000 1.008 28 A HN 0.998 nan 8.150 nan 0.000 0.497 29 A N 3.502 126.393 122.820 0.119 0.000 2.546 29 A HA 0.478 4.798 4.320 -0.000 0.000 0.243 29 A C -2.195 175.513 177.584 0.207 0.000 1.063 29 A CA -0.809 51.313 52.037 0.141 0.000 0.757 29 A CB -0.751 18.328 19.000 0.131 0.000 0.991 29 A HN 0.620 nan 8.150 nan 0.000 0.503 30 P HA 0.191 nan 4.420 nan 0.000 0.268 30 P C -0.994 176.546 177.300 0.400 0.000 1.205 30 P CA 0.531 63.841 63.100 0.349 0.000 0.771 30 P CB 0.201 32.112 31.700 0.352 0.000 0.858 31 Y N 3.568 124.047 120.300 0.298 0.000 2.391 31 Y HA 0.546 5.096 4.550 -0.000 0.000 0.341 31 Y C -0.639 175.337 175.900 0.127 0.000 0.965 31 Y CA -0.689 57.507 58.100 0.159 0.000 1.067 31 Y CB 1.350 39.880 38.460 0.117 0.000 1.199 31 Y HN 0.620 nan 8.280 nan 0.000 0.450 32 H N 2.466 121.334 119.070 -0.337 0.000 3.038 32 H HA 0.676 5.232 4.556 -0.000 0.000 0.362 32 H C -2.184 172.875 175.328 -0.448 0.000 1.167 32 H CA -0.918 54.887 56.048 -0.404 0.000 1.197 32 H CB 2.114 31.404 29.762 -0.787 0.000 1.840 32 H HN 0.504 nan 8.280 nan 0.000 0.540 33 D N 1.179 121.435 120.400 -0.240 0.000 2.596 33 D HA 0.303 4.943 4.640 -0.000 0.000 0.234 33 D C -1.142 175.113 176.300 -0.075 0.000 1.181 33 D CA -0.385 53.535 54.000 -0.134 0.000 0.856 33 D CB 2.590 43.354 40.800 -0.060 0.000 1.498 33 D HN 0.786 nan 8.370 nan 0.000 0.446 34 E N 0.793 121.005 120.200 0.021 0.000 2.363 34 E HA 0.534 4.883 4.350 -0.000 0.000 0.281 34 E C -1.363 175.305 176.600 0.113 0.000 0.953 34 E CA -0.800 55.543 56.400 -0.095 0.000 0.778 34 E CB 1.397 31.054 29.700 -0.072 0.000 1.220 34 E HN 0.358 nan 8.360 nan 0.000 0.431 35 F N -2.389 117.598 119.950 0.061 0.000 2.744 35 F HA 0.601 5.128 4.527 -0.000 0.000 0.311 35 F C -3.142 172.689 175.800 0.051 0.000 1.144 35 F CA -2.385 55.649 58.000 0.057 0.000 0.938 35 F CB 0.784 39.824 39.000 0.068 0.000 1.292 35 F HN 0.049 nan 8.300 nan 0.000 0.444 36 P HA 0.195 nan 4.420 nan 0.000 0.271 36 P C 0.050 177.426 177.300 0.126 0.000 1.220 36 P CA -0.007 63.179 63.100 0.143 0.000 0.768 36 P CB 1.196 32.974 31.700 0.131 0.000 0.848 37 L N 3.217 124.406 121.223 -0.057 0.000 2.537 37 L HA 0.421 4.761 4.340 -0.000 0.000 0.224 37 L C -0.208 176.256 176.870 -0.677 0.000 1.065 37 L CA 0.948 55.551 54.840 -0.394 0.000 0.860 37 L CB 0.046 41.706 42.059 -0.664 0.000 1.086 37 L HN 0.130 nan 8.230 nan 0.000 0.482 38 F N 1.033 120.793 119.950 -0.318 0.000 2.434 38 F HA 0.500 5.027 4.527 -0.000 0.000 0.355 38 F C 0.081 175.718 175.800 -0.272 0.000 1.115 38 F CA -0.616 57.033 58.000 -0.585 0.000 1.010 38 F CB 0.965 39.486 39.000 -0.799 0.000 1.234 38 F HN -0.286 nan 8.300 nan 0.000 0.439 39 R N 2.042 122.505 120.500 -0.062 0.000 2.215 39 R HA 0.415 4.755 4.340 -0.000 0.000 0.336 39 R C 0.088 176.624 176.300 0.394 0.000 0.996 39 R CA -0.530 55.668 56.100 0.163 0.000 0.847 39 R CB 1.257 31.597 30.300 0.067 0.000 1.127 39 R HN 0.702 nan 8.270 nan 0.000 0.465 40 S N 1.625 117.581 115.700 0.425 0.000 2.587 40 S HA 0.067 4.537 4.470 -0.000 0.000 0.260 40 S C 1.472 176.112 174.600 0.067 0.000 1.353 40 S CA -0.257 58.148 58.200 0.340 0.000 0.995 40 S CB 1.214 64.582 63.200 0.280 0.000 0.912 40 S HN 0.697 nan 8.310 nan 0.000 0.568 41 A N 1.626 124.439 122.820 -0.011 0.000 2.070 41 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 41 A C 2.090 179.465 177.584 -0.348 0.000 1.159 41 A CA 1.480 53.459 52.037 -0.097 0.000 0.656 41 A CB -1.061 17.945 19.000 0.010 0.000 0.800 41 A HN 0.949 nan 8.150 nan 0.000 0.453 42 N N -0.453 117.770 118.700 -0.795 0.000 2.457 42 N HA -0.013 4.727 4.740 -0.000 0.000 0.180 42 N C 0.651 175.842 175.510 -0.530 0.000 1.050 42 N CA 0.329 52.832 53.050 -0.912 0.000 0.906 42 N CB -0.379 37.144 38.487 -1.606 0.000 0.968 42 N HN 0.501 nan 8.380 nan 0.000 0.445 43 M N 0.860 120.238 119.600 -0.369 0.000 2.247 43 M HA 0.389 4.869 4.480 -0.000 0.000 0.326 43 M C 0.495 176.732 176.300 -0.105 0.000 1.134 43 M CA -0.698 54.492 55.300 -0.183 0.000 1.136 43 M CB 1.231 33.810 32.600 -0.035 0.000 1.454 43 M HN 0.013 nan 8.290 nan 0.000 0.467 44 A N 1.209 123.992 122.820 -0.062 0.000 2.483 44 A HA 0.252 4.572 4.320 -0.000 0.000 0.238 44 A C 0.640 178.211 177.584 -0.022 0.000 1.070 44 A CA -0.140 51.873 52.037 -0.040 0.000 0.770 44 A CB -0.203 18.781 19.000 -0.026 0.000 1.008 44 A HN 0.932 nan 8.150 nan 0.000 0.497 45 S N 1.254 116.942 115.700 -0.020 0.000 3.524 45 S HA -0.106 4.364 4.470 -0.000 0.000 0.377 45 S C -1.994 172.608 174.600 0.004 0.000 0.949 45 S CA 0.713 58.906 58.200 -0.012 0.000 1.264 45 S CB -1.781 61.408 63.200 -0.018 0.000 0.918 45 S HN 0.825 nan 8.310 nan 0.000 0.517 46 P HA 0.191 nan 4.420 nan 0.000 0.272 46 P C -0.333 177.033 177.300 0.110 0.000 1.223 46 P CA -0.126 63.017 63.100 0.072 0.000 0.784 46 P CB 0.561 32.297 31.700 0.058 0.000 0.923 47 D N 2.650 123.162 120.400 0.186 0.000 2.343 47 D HA 0.166 4.806 4.640 -0.000 0.000 0.255 47 D C 0.229 176.746 176.300 0.363 0.000 1.187 47 D CA 0.547 54.651 54.000 0.173 0.000 0.875 47 D CB 0.876 41.656 40.800 -0.034 0.000 1.136 47 D HN 0.257 nan 8.370 nan 0.000 0.469 48 K N 1.884 122.423 120.400 0.231 0.000 2.435 48 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 48 K C -0.062 176.656 176.600 0.197 0.000 0.954 48 K CA -0.847 55.582 56.287 0.236 0.000 0.820 48 K CB 2.163 34.727 32.500 0.105 0.000 1.292 48 K HN 0.179 nan 8.250 nan 0.000 0.436 49 L N 1.025 122.384 121.223 0.226 0.000 2.474 49 L HA 0.007 4.347 4.340 -0.000 0.000 0.259 49 L C 1.868 178.783 176.870 0.076 0.000 1.232 49 L CA 0.092 55.024 54.840 0.154 0.000 0.821 49 L CB 0.587 42.757 42.059 0.185 0.000 1.108 49 L HN 0.882 nan 8.230 nan 0.000 0.495 50 S N -1.662 114.069 115.700 0.052 0.000 2.442 50 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 50 S C 1.559 176.175 174.600 0.027 0.000 1.007 50 S CA 1.220 59.438 58.200 0.030 0.000 0.965 50 S CB -0.822 62.391 63.200 0.021 0.000 0.773 50 S HN 0.889 nan 8.310 nan 0.000 0.504 51 T N -2.515 112.060 114.554 0.035 0.000 3.118 51 T HA 0.416 4.766 4.350 -0.000 0.000 0.260 51 T C 1.702 176.409 174.700 0.012 0.000 1.139 51 T CA 0.765 62.880 62.100 0.024 0.000 1.085 51 T CB -0.573 68.313 68.868 0.030 0.000 0.934 51 T HN 1.192 nan 8.240 nan 0.000 0.518 52 G N 1.282 110.090 108.800 0.013 0.000 2.176 52 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 52 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 52 G C 0.067 174.948 174.900 -0.032 0.000 0.979 52 G CA -0.110 44.989 45.100 -0.001 0.000 0.641 52 G HN 0.560 nan 8.290 nan 0.000 0.530 53 I N 2.473 123.012 120.570 -0.052 0.000 2.581 53 I HA 0.381 4.551 4.170 -0.000 0.000 0.285 53 I C 1.396 177.336 176.117 -0.295 0.000 1.129 53 I CA 0.910 62.103 61.300 -0.177 0.000 1.397 53 I CB 0.037 37.932 38.000 -0.174 0.000 1.399 53 I HN 0.198 nan 8.210 nan 0.000 0.537 54 G N 6.338 114.911 108.800 -0.379 0.000 2.613 54 G HA2 0.728 4.688 3.960 -0.000 0.000 0.303 54 G HA3 0.728 4.688 3.960 -0.000 0.000 0.303 54 G C -1.337 173.058 174.900 -0.842 0.000 1.312 54 G CA -0.421 44.467 45.100 -0.353 0.000 1.036 54 G HN 0.350 nan 8.290 nan 0.000 0.513 55 F N -1.147 118.762 119.950 -0.068 0.000 2.573 55 F HA 0.327 4.854 4.527 -0.000 0.000 0.316 55 F C 1.058 176.740 175.800 -0.196 0.000 1.148 55 F CA -0.811 57.028 58.000 -0.268 0.000 0.940 55 F CB 1.863 40.450 39.000 -0.689 0.000 1.214 55 F HN 0.662 nan 8.300 nan 0.000 0.448 56 H N 1.322 120.364 119.070 -0.047 0.000 2.321 56 H HA -0.061 4.495 4.556 -0.000 0.000 0.295 56 H C -0.164 175.198 175.328 0.056 0.000 1.102 56 H CA 1.934 58.014 56.048 0.054 0.000 1.266 56 H CB 0.499 30.238 29.762 -0.039 0.000 1.363 56 H HN 0.454 nan 8.280 nan 0.000 0.492 57 S N -1.212 114.500 115.700 0.020 0.000 2.564 57 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 57 S C -1.561 172.801 174.600 -0.397 0.000 1.124 57 S CA -0.659 57.527 58.200 -0.023 0.000 0.869 57 S CB 1.895 65.192 63.200 0.162 0.000 1.105 57 S HN 0.184 nan 8.310 nan 0.000 0.472 58 F N 1.656 121.654 119.950 0.079 0.000 2.493 58 F HA 0.646 5.173 4.527 -0.000 0.000 0.329 58 F C 0.674 176.420 175.800 -0.090 0.000 1.126 58 F CA -0.584 57.379 58.000 -0.062 0.000 0.937 58 F CB 1.511 40.473 39.000 -0.064 0.000 1.146 58 F HN 0.222 nan 8.300 nan 0.000 0.442 59 R N 2.425 122.920 120.500 -0.008 0.000 2.817 59 R HA 0.632 4.972 4.340 -0.000 0.000 0.268 59 R C -1.164 175.062 176.300 -0.125 0.000 1.027 59 R CA -1.075 54.973 56.100 -0.087 0.000 0.928 59 R CB 2.237 32.447 30.300 -0.149 0.000 1.228 59 R HN 0.575 nan 8.270 nan 0.000 0.469 60 I N -0.405 120.075 120.570 -0.149 0.000 6.579 60 I HA -0.136 4.034 4.170 -0.000 0.000 0.126 60 I C -2.376 173.750 176.117 0.016 0.000 1.827 60 I CA -0.280 60.991 61.300 -0.049 0.000 2.040 60 I CB -2.340 35.627 38.000 -0.055 0.000 3.510 60 I HN 0.490 nan 8.210 nan 0.000 0.170 61 P HA 0.524 nan 4.420 nan 0.000 0.274 61 P C -0.260 177.113 177.300 0.121 0.000 1.237 61 P CA -0.007 63.113 63.100 0.032 0.000 0.793 61 P CB 2.055 33.794 31.700 0.064 0.000 0.977 62 A N 1.338 124.264 122.820 0.176 0.000 2.547 62 A HA 0.622 4.942 4.320 -0.000 0.000 0.297 62 A C -1.562 176.241 177.584 0.365 0.000 1.056 62 A CA -0.695 51.489 52.037 0.245 0.000 0.688 62 A CB 1.818 20.936 19.000 0.198 0.000 1.282 62 A HN 0.401 nan 8.150 nan 0.000 0.400 63 V N 2.695 122.806 119.914 0.329 0.000 2.808 63 V HA 0.808 4.928 4.120 -0.000 0.000 0.308 63 V C -1.154 175.132 176.094 0.319 0.000 1.099 63 V CA -0.128 62.376 62.300 0.340 0.000 0.920 63 V CB 2.079 34.102 31.823 0.333 0.000 1.014 63 V HN 1.863 nan 8.190 nan 0.000 0.425 64 V N 3.747 123.854 119.914 0.322 0.000 2.925 64 V HA 0.706 4.826 4.120 -0.000 0.000 0.311 64 V C -0.583 175.631 176.094 0.200 0.000 1.104 64 V CA -1.032 61.424 62.300 0.260 0.000 0.954 64 V CB 1.877 33.870 31.823 0.283 0.000 1.022 64 V HN 1.024 nan 8.190 nan 0.000 0.427 65 R N 2.291 122.878 120.500 0.145 0.000 2.254 65 R HA 0.554 4.894 4.340 -0.000 0.000 0.318 65 R C 0.413 176.757 176.300 0.073 0.000 1.031 65 R CA 0.356 56.507 56.100 0.084 0.000 0.905 65 R CB 1.439 31.765 30.300 0.043 0.000 1.050 65 R HN 1.143 nan 8.270 nan 0.000 0.456 66 T N -0.078 114.507 114.554 0.053 0.000 2.770 66 T HA 0.010 4.360 4.350 -0.000 0.000 0.281 66 T C 1.544 176.251 174.700 0.012 0.000 0.981 66 T CA 0.043 62.168 62.100 0.043 0.000 0.955 66 T CB 1.157 70.041 68.868 0.027 0.000 1.060 66 T HN 0.687 nan 8.240 nan 0.000 0.531 67 T N -2.345 112.213 114.554 0.006 0.000 3.051 67 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 67 T C 1.852 176.541 174.700 -0.017 0.000 1.127 67 T CA 1.305 63.402 62.100 -0.005 0.000 1.107 67 T CB -1.250 67.617 68.868 -0.002 0.000 0.898 67 T HN 0.873 nan 8.240 nan 0.000 0.517 68 T N -2.593 111.948 114.554 -0.022 0.000 3.067 68 T HA 0.448 4.797 4.350 -0.000 0.000 0.257 68 T C 1.994 176.672 174.700 -0.037 0.000 1.105 68 T CA 0.791 62.873 62.100 -0.030 0.000 1.104 68 T CB -0.372 68.474 68.868 -0.036 0.000 0.925 68 T HN 0.893 nan 8.240 nan 0.000 0.498 69 G N 1.294 110.071 108.800 -0.039 0.000 2.218 69 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 69 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 69 G C 0.197 175.058 174.900 -0.065 0.000 0.994 69 G CA -0.080 44.989 45.100 -0.051 0.000 0.637 69 G HN 0.762 nan 8.290 nan 0.000 0.505 70 R N 0.625 121.085 120.500 -0.067 0.000 2.623 70 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 70 R C 0.102 176.355 176.300 -0.078 0.000 1.043 70 R CA 0.065 56.107 56.100 -0.098 0.000 1.083 70 R CB 0.069 30.325 30.300 -0.075 0.000 0.974 70 R HN 0.319 nan 8.270 nan 0.000 0.436 71 I N 5.551 126.027 120.570 -0.157 0.000 2.377 71 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 71 I C -0.443 175.662 176.117 -0.021 0.000 0.987 71 I CA -0.688 60.562 61.300 -0.084 0.000 1.185 71 I CB 1.571 39.481 38.000 -0.150 0.000 1.341 71 I HN 0.383 nan 8.210 nan 0.000 0.455 72 L N 6.052 127.325 121.223 0.083 0.000 2.305 72 L HA 0.746 5.086 4.340 -0.000 0.000 0.284 72 L C -0.122 176.706 176.870 -0.070 0.000 1.013 72 L CA -0.594 54.257 54.840 0.017 0.000 0.819 72 L CB 1.644 43.730 42.059 0.045 0.000 1.227 72 L HN 0.648 nan 8.230 nan 0.000 0.417 73 A N 3.726 126.472 122.820 -0.123 0.000 2.318 73 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 73 A C -1.100 176.395 177.584 -0.149 0.000 1.159 73 A CA -0.299 51.709 52.037 -0.048 0.000 0.799 73 A CB 0.609 19.576 19.000 -0.056 0.000 1.194 73 A HN 0.514 nan 8.150 nan 0.000 0.479 74 F N 1.075 121.113 119.950 0.146 0.000 2.556 74 F HA 0.833 5.360 4.527 -0.000 0.000 0.327 74 F C 0.578 176.241 175.800 -0.228 0.000 1.059 74 F CA -0.098 57.913 58.000 0.018 0.000 0.953 74 F CB 2.467 41.442 39.000 -0.042 0.000 1.227 74 F HN 0.825 nan 8.300 nan 0.000 0.478 75 A N 0.635 123.384 122.820 -0.118 0.000 2.601 75 A HA 0.567 4.887 4.320 -0.000 0.000 0.291 75 A C -1.552 175.948 177.584 -0.140 0.000 1.075 75 A CA -0.920 50.940 52.037 -0.296 0.000 0.671 75 A CB 1.144 19.641 19.000 -0.838 0.000 1.277 75 A HN 0.710 nan 8.150 nan 0.000 0.417 76 E N 0.446 120.578 120.200 -0.115 0.000 2.223 76 E HA 0.420 4.770 4.350 -0.000 0.000 0.282 76 E C 0.267 176.775 176.600 -0.154 0.000 1.046 76 E CA -0.113 56.230 56.400 -0.095 0.000 0.857 76 E CB 1.257 30.913 29.700 -0.074 0.000 1.055 76 E HN 0.732 nan 8.360 nan 0.000 0.409 77 G N 3.985 112.613 108.800 -0.286 0.000 2.393 77 G HA2 0.153 4.112 3.960 -0.000 0.000 0.311 77 G HA3 0.153 4.112 3.960 -0.000 0.000 0.311 77 G C -0.149 174.610 174.900 -0.235 0.000 1.067 77 G CA -0.564 44.107 45.100 -0.714 0.000 1.000 77 G HN 0.411 nan 8.290 nan 0.000 0.422 78 R N 2.878 123.270 120.500 -0.181 0.000 2.205 78 R HA 0.216 4.556 4.340 -0.000 0.000 0.342 78 R C 1.050 177.346 176.300 -0.008 0.000 1.058 78 R CA -0.810 55.245 56.100 -0.075 0.000 0.904 78 R CB 1.345 31.567 30.300 -0.131 0.000 1.089 78 R HN 0.454 nan 8.270 nan 0.000 0.471 79 R N 1.205 121.669 120.500 -0.060 0.000 2.080 79 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 79 R C 1.097 177.131 176.300 -0.444 0.000 1.137 79 R CA 1.612 57.486 56.100 -0.376 0.000 0.943 79 R CB -0.005 29.807 30.300 -0.814 0.000 0.846 79 R HN 0.653 nan 8.270 nan 0.000 0.431 80 H N -1.470 117.562 119.070 -0.063 0.000 2.855 80 H HA 0.193 4.749 4.556 -0.000 0.000 0.259 80 H C 0.853 175.989 175.328 -0.320 0.000 0.972 80 H CA 0.929 56.909 56.048 -0.113 0.000 1.213 80 H CB 0.832 30.529 29.762 -0.108 0.000 1.451 80 H HN 0.276 nan 8.280 nan 0.000 0.484 81 T N -0.878 113.461 114.554 -0.359 0.000 2.681 81 T HA 0.129 4.479 4.350 -0.000 0.000 0.296 81 T C 0.448 174.840 174.700 -0.512 0.000 1.157 81 T CA -0.658 60.994 62.100 -0.746 0.000 1.025 81 T CB 1.548 70.138 68.868 -0.464 0.000 1.441 81 T HN 0.128 nan 8.240 nan 0.000 0.504 82 N N -0.585 117.859 118.700 -0.426 0.000 2.398 82 N HA 0.095 4.835 4.740 -0.000 0.000 0.188 82 N C 0.253 175.615 175.510 -0.247 0.000 1.122 82 N CA -0.226 52.712 53.050 -0.188 0.000 0.866 82 N CB -0.382 38.072 38.487 -0.056 0.000 0.970 82 N HN 0.675 nan 8.380 nan 0.000 0.462 83 Q N 0.052 119.620 119.800 -0.386 0.000 2.454 83 Q HA 0.081 4.421 4.340 -0.000 0.000 0.247 83 Q C -0.027 175.660 176.000 -0.523 0.000 1.028 83 Q CA -0.100 55.367 55.803 -0.561 0.000 0.910 83 Q CB 0.650 28.762 28.738 -1.043 0.000 1.276 83 Q HN 0.207 nan 8.270 nan 0.000 0.489 84 D N 0.169 120.307 120.400 -0.437 0.000 2.347 84 D HA 0.036 4.675 4.640 -0.000 0.000 0.215 84 D C -0.018 176.247 176.300 -0.058 0.000 0.976 84 D CA 0.710 54.626 54.000 -0.140 0.000 0.884 84 D CB 0.066 40.907 40.800 0.067 0.000 0.915 84 D HN 0.308 nan 8.370 nan 0.000 0.526 85 F N -1.414 118.518 119.950 -0.030 0.000 2.639 85 F HA 0.733 5.260 4.527 -0.000 0.000 0.339 85 F C 0.996 176.764 175.800 -0.053 0.000 1.071 85 F CA -0.765 57.209 58.000 -0.043 0.000 0.994 85 F CB 0.734 39.714 39.000 -0.033 0.000 1.341 85 F HN 0.017 nan 8.300 nan 0.000 0.498 86 G N 0.511 109.432 108.800 0.201 0.000 2.527 86 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.227 86 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.227 86 G C -1.469 173.444 174.900 0.022 0.000 1.291 86 G CA -0.188 44.975 45.100 0.105 0.000 0.904 86 G HN 1.050 nan 8.290 nan 0.000 0.577 87 D N 1.041 121.468 120.400 0.045 0.000 2.352 87 D HA 0.539 5.178 4.640 -0.000 0.000 0.245 87 D C 0.242 176.554 176.300 0.021 0.000 1.224 87 D CA 0.130 54.160 54.000 0.049 0.000 0.879 87 D CB -0.285 40.569 40.800 0.090 0.000 1.057 87 D HN 0.549 nan 8.370 nan 0.000 0.491 88 I N 3.437 124.044 120.570 0.061 0.000 2.534 88 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 88 I C -0.347 175.884 176.117 0.189 0.000 1.077 88 I CA -0.988 60.356 61.300 0.073 0.000 1.051 88 I CB 1.908 39.909 38.000 0.001 0.000 1.234 88 I HN 0.125 nan 8.210 nan 0.000 0.425 89 N N 5.258 124.068 118.700 0.183 0.000 2.404 89 N HA 0.466 5.206 4.740 -0.000 0.000 0.297 89 N C -1.209 174.340 175.510 0.064 0.000 1.163 89 N CA -0.632 52.535 53.050 0.195 0.000 0.864 89 N CB 2.353 40.985 38.487 0.242 0.000 1.247 89 N HN 0.355 nan 8.380 nan 0.000 0.510 90 L N 2.537 123.785 121.223 0.042 0.000 2.255 90 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 90 L C -0.439 176.437 176.870 0.010 0.000 1.046 90 L CA -0.547 54.292 54.840 -0.001 0.000 0.816 90 L CB 0.169 42.200 42.059 -0.046 0.000 1.197 90 L HN 0.387 nan 8.230 nan 0.000 0.427 91 V N 3.945 123.878 119.914 0.031 0.000 3.096 91 V HA 0.761 4.881 4.120 -0.000 0.000 0.319 91 V C -0.929 175.331 176.094 0.277 0.000 1.103 91 V CA -0.667 61.703 62.300 0.118 0.000 1.016 91 V CB 1.834 33.655 31.823 -0.004 0.000 1.090 91 V HN 0.758 nan 8.190 nan 0.000 0.449 92 Y N -1.013 119.326 120.300 0.064 0.000 2.656 92 Y HA 0.854 5.404 4.550 -0.000 0.000 0.334 92 Y C -1.175 174.733 175.900 0.013 0.000 1.179 92 Y CA -1.584 56.521 58.100 0.008 0.000 1.050 92 Y CB 1.423 39.736 38.460 -0.245 0.000 1.308 92 Y HN 0.737 nan 8.280 nan 0.000 0.456 93 K N 1.781 122.147 120.400 -0.057 0.000 2.477 93 K HA 0.675 4.995 4.320 -0.000 0.000 0.255 93 K C -1.267 175.402 176.600 0.115 0.000 0.952 93 K CA -1.183 55.011 56.287 -0.154 0.000 0.826 93 K CB 3.045 35.380 32.500 -0.276 0.000 1.331 93 K HN 0.779 nan 8.250 nan 0.000 0.437 94 R N 0.251 120.819 120.500 0.113 0.000 2.832 94 R HA 0.351 4.691 4.340 -0.000 0.000 0.271 94 R C -0.318 175.923 176.300 -0.099 0.000 0.996 94 R CA -0.973 55.179 56.100 0.087 0.000 0.977 94 R CB 1.436 31.771 30.300 0.059 0.000 1.168 94 R HN 0.719 nan 8.270 nan 0.000 0.482 95 T N -1.010 113.239 114.554 -0.508 0.000 2.930 95 T HA 0.076 4.426 4.350 -0.000 0.000 0.306 95 T C 0.940 175.445 174.700 -0.324 0.000 1.045 95 T CA -0.476 61.200 62.100 -0.706 0.000 1.134 95 T CB 0.911 69.270 68.868 -0.849 0.000 0.961 95 T HN 0.504 nan 8.240 nan 0.000 0.545 96 K N 0.914 121.152 120.400 -0.270 0.000 2.147 96 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 96 K C 1.364 177.886 176.600 -0.131 0.000 1.049 96 K CA 1.397 57.593 56.287 -0.152 0.000 0.936 96 K CB -0.160 32.268 32.500 -0.121 0.000 0.722 96 K HN 0.916 nan 8.250 nan 0.000 0.446 97 T N -3.530 110.930 114.554 -0.156 0.000 2.907 97 T HA 0.148 4.498 4.350 -0.000 0.000 0.290 97 T C 1.037 175.659 174.700 -0.131 0.000 1.066 97 T CA -0.550 61.479 62.100 -0.118 0.000 1.012 97 T CB 1.711 70.522 68.868 -0.094 0.000 1.184 97 T HN 0.081 nan 8.240 nan 0.000 0.522 98 T N -2.132 112.365 114.554 -0.095 0.000 3.085 98 T HA 0.252 4.602 4.350 -0.000 0.000 0.263 98 T C 1.712 176.363 174.700 -0.082 0.000 1.127 98 T CA 0.541 62.589 62.100 -0.087 0.000 1.103 98 T CB -0.394 68.437 68.868 -0.061 0.000 0.921 98 T HN 0.861 nan 8.240 nan 0.000 0.510 99 A N 2.145 124.919 122.820 -0.078 0.000 2.288 99 A HA 0.241 4.561 4.320 -0.000 0.000 0.216 99 A C 1.969 179.518 177.584 -0.059 0.000 1.199 99 A CA 0.419 52.423 52.037 -0.056 0.000 0.891 99 A CB -0.296 18.681 19.000 -0.038 0.000 0.923 99 A HN 0.625 nan 8.150 nan 0.000 0.500 100 N N -0.101 118.543 118.700 -0.094 0.000 2.463 100 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 100 N C 0.169 175.639 175.510 -0.066 0.000 1.078 100 N CA 0.981 53.981 53.050 -0.084 0.000 0.902 100 N CB -0.919 37.499 38.487 -0.114 0.000 0.970 100 N HN 0.491 nan 8.380 nan 0.000 0.451 101 N N -1.394 117.251 118.700 -0.093 0.000 2.713 101 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 101 N C 0.475 176.020 175.510 0.057 0.000 1.117 101 N CA 0.552 53.592 53.050 -0.018 0.000 0.770 101 N CB -1.585 36.929 38.487 0.045 0.000 1.137 101 N HN 0.583 nan 8.380 nan 0.000 0.566 102 G N -0.820 107.866 108.800 -0.190 0.000 2.283 102 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.280 102 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.280 102 G C 1.009 176.265 174.900 0.594 0.000 1.029 102 G CA 0.676 45.670 45.100 -0.176 0.000 0.840 102 G HN 0.934 nan 8.290 nan 0.000 0.505 103 A N -1.106 121.942 122.820 0.380 0.000 2.014 103 A HA 0.539 4.859 4.320 -0.000 0.000 0.218 103 A C 1.590 179.495 177.584 0.536 0.000 1.163 103 A CA 1.980 54.297 52.037 0.467 0.000 0.652 103 A CB 0.149 19.324 19.000 0.292 0.000 0.808 103 A HN 1.036 nan 8.150 nan 0.000 0.449 104 S N -1.621 114.294 115.700 0.360 0.000 2.599 104 S HA 0.493 4.963 4.470 -0.000 0.000 0.294 104 S C -2.299 172.215 174.600 -0.144 0.000 1.094 104 S CA -1.007 57.216 58.200 0.038 0.000 0.931 104 S CB 1.877 65.066 63.200 -0.017 0.000 1.093 104 S HN -0.055 nan 8.310 nan 0.000 0.488 105 P HA -0.130 nan 4.420 nan 0.000 0.216 105 P C 1.393 178.662 177.300 -0.052 0.000 1.153 105 P CA 1.307 64.122 63.100 -0.474 0.000 0.858 105 P CB -0.047 31.315 31.700 -0.564 0.000 0.789 106 S N -1.793 113.856 115.700 -0.085 0.000 2.555 106 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 106 S C 1.371 175.960 174.600 -0.018 0.000 0.978 106 S CA 0.849 59.026 58.200 -0.039 0.000 0.934 106 S CB -0.987 62.179 63.200 -0.056 0.000 0.766 106 S HN 0.080 nan 8.310 nan 0.000 0.533 107 D N 0.382 120.781 120.400 -0.002 0.000 2.347 107 D HA 0.104 4.744 4.640 -0.000 0.000 0.215 107 D C -0.488 175.666 176.300 -0.243 0.000 0.976 107 D CA 0.372 54.300 54.000 -0.120 0.000 0.884 107 D CB 0.035 40.741 40.800 -0.156 0.000 0.915 107 D HN 0.559 nan 8.370 nan 0.000 0.526 108 W N 1.765 123.002 121.300 -0.105 0.000 2.469 108 W HA 0.302 4.962 4.660 -0.000 0.000 0.320 108 W C 0.741 177.165 176.519 -0.160 0.000 1.086 108 W CA -0.866 56.386 57.345 -0.155 0.000 1.211 108 W CB 0.904 30.244 29.460 -0.201 0.000 1.298 108 W HN -0.297 nan 8.180 nan 0.000 0.525 109 E N 2.985 123.222 120.200 0.062 0.000 2.422 109 E HA 0.059 4.409 4.350 -0.000 0.000 0.260 109 E C -1.903 174.665 176.600 -0.052 0.000 1.108 109 E CA -1.381 55.007 56.400 -0.019 0.000 0.943 109 E CB -0.083 29.584 29.700 -0.055 0.000 0.961 109 E HN -0.010 nan 8.360 nan 0.000 0.443 110 P HA -0.027 nan 4.420 nan 0.000 0.272 110 P C -0.586 176.622 177.300 -0.153 0.000 1.240 110 P CA -0.403 62.636 63.100 -0.101 0.000 0.791 110 P CB 0.384 32.046 31.700 -0.064 0.000 0.978 111 L N 2.088 123.221 121.223 -0.150 0.000 2.540 111 L HA 0.026 4.366 4.340 -0.000 0.000 0.276 111 L C 0.588 177.378 176.870 -0.134 0.000 1.212 111 L CA 1.236 55.987 54.840 -0.149 0.000 0.893 111 L CB -0.293 41.748 42.059 -0.030 0.000 1.138 111 L HN 0.324 nan 8.230 nan 0.000 0.491 112 R N 3.169 123.506 120.500 -0.271 0.000 2.930 112 R HA 0.522 4.862 4.340 -0.000 0.000 0.257 112 R C -1.165 175.107 176.300 -0.047 0.000 1.107 112 R CA -0.981 54.972 56.100 -0.246 0.000 0.999 112 R CB 1.553 31.500 30.300 -0.589 0.000 1.209 112 R HN 0.614 nan 8.270 nan 0.000 0.486 113 E N 0.553 120.840 120.200 0.145 0.000 2.199 113 E HA 0.189 4.539 4.350 -0.000 0.000 0.265 113 E C -0.022 176.744 176.600 0.276 0.000 0.882 113 E CA -0.406 56.122 56.400 0.213 0.000 0.759 113 E CB 1.895 31.686 29.700 0.152 0.000 1.148 113 E HN 0.321 nan 8.360 nan 0.000 0.412 114 V N 3.923 123.913 119.914 0.127 0.000 2.302 114 V HA 0.018 4.138 4.120 -0.000 0.000 0.243 114 V C 0.567 176.539 176.094 -0.203 0.000 1.036 114 V CA 0.846 63.029 62.300 -0.196 0.000 1.020 114 V CB 0.523 31.994 31.823 -0.587 0.000 0.657 114 V HN 0.512 nan 8.190 nan 0.000 0.453 115 V N -1.259 118.481 119.914 -0.291 0.000 2.891 115 V HA 0.770 4.890 4.120 -0.000 0.000 0.304 115 V C 0.168 175.972 176.094 -0.483 0.000 1.171 115 V CA 0.398 62.384 62.300 -0.525 0.000 0.943 115 V CB 1.847 33.057 31.823 -1.022 0.000 1.037 115 V HN 0.269 nan 8.190 nan 0.000 0.427 116 G N 2.601 111.187 108.800 -0.357 0.000 4.162 116 G HA2 0.193 4.153 3.960 -0.000 0.000 0.252 116 G HA3 0.193 4.153 3.960 -0.000 0.000 0.252 116 G C 0.234 175.210 174.900 0.126 0.000 1.064 116 G CA 0.514 45.587 45.100 -0.046 0.000 0.850 116 G HN 1.254 nan 8.290 nan 0.000 0.454 117 S N 0.859 116.596 115.700 0.061 0.000 2.593 117 S HA 0.452 4.922 4.470 -0.000 0.000 0.300 117 S C 1.105 175.968 174.600 0.439 0.000 1.267 117 S CA 0.420 58.761 58.200 0.235 0.000 1.065 117 S CB 0.761 64.060 63.200 0.165 0.000 0.807 117 S HN 1.903 nan 8.310 nan 0.000 0.499 118 G N 2.024 110.989 108.800 0.275 0.000 2.833 118 G HA2 0.181 4.141 3.960 -0.000 0.000 0.245 118 G HA3 0.181 4.141 3.960 -0.000 0.000 0.245 118 G C 0.393 175.428 174.900 0.225 0.000 1.395 118 G CA -0.195 45.053 45.100 0.246 0.000 0.867 118 G HN 1.919 nan 8.290 nan 0.000 0.546 119 A N 0.175 123.092 122.820 0.163 0.000 2.379 119 A HA 0.689 5.009 4.320 -0.000 0.000 0.236 119 A C 1.597 179.220 177.584 0.064 0.000 1.272 119 A CA 1.459 53.569 52.037 0.120 0.000 0.886 119 A CB -0.466 18.592 19.000 0.097 0.000 0.962 119 A HN 2.225 nan 8.150 nan 0.000 0.504 120 G N -0.897 107.926 108.800 0.039 0.000 2.553 120 G HA2 0.420 4.380 3.960 -0.000 0.000 0.278 120 G HA3 0.420 4.380 3.960 -0.000 0.000 0.278 120 G C -0.293 174.443 174.900 -0.274 0.000 1.349 120 G CA -0.019 44.953 45.100 -0.212 0.000 1.037 120 G HN 0.137 nan 8.290 nan 0.000 0.508 121 T N 0.591 114.791 114.554 -0.590 0.000 2.756 121 T HA 0.329 4.679 4.350 -0.000 0.000 0.290 121 T C -1.266 173.155 174.700 -0.465 0.000 0.985 121 T CA 0.043 61.919 62.100 -0.373 0.000 0.955 121 T CB 0.549 69.238 68.868 -0.299 0.000 0.930 121 T HN 0.385 nan 8.240 nan 0.000 0.451 122 W N 2.495 123.775 121.300 -0.032 0.000 2.329 122 W HA 0.649 5.309 4.660 -0.000 0.000 0.312 122 W C 0.653 177.156 176.519 -0.026 0.000 1.054 122 W CA -0.324 57.032 57.345 0.018 0.000 1.245 122 W CB 1.597 31.069 29.460 0.019 0.000 1.255 122 W HN 0.944 nan 8.180 nan 0.000 0.436 123 G N 1.284 110.195 108.800 0.185 0.000 2.650 123 G HA2 0.285 4.245 3.960 -0.000 0.000 0.310 123 G HA3 0.285 4.245 3.960 -0.000 0.000 0.310 123 G C -0.530 174.413 174.900 0.071 0.000 1.270 123 G CA -1.013 44.141 45.100 0.090 0.000 0.810 123 G HN 0.307 nan 8.290 nan 0.000 0.493 124 N N 0.491 119.223 118.700 0.054 0.000 2.738 124 N HA -0.116 4.624 4.740 -0.000 0.000 0.249 124 N C -2.590 172.942 175.510 0.037 0.000 1.047 124 N CA 0.927 54.014 53.050 0.063 0.000 0.707 124 N CB -0.786 37.734 38.487 0.055 0.000 0.937 124 N HN 0.453 nan 8.380 nan 0.000 0.545 125 P HA 0.022 nan 4.420 nan 0.000 0.263 125 P C -0.597 176.666 177.300 -0.062 0.000 1.195 125 P CA 0.653 63.697 63.100 -0.094 0.000 0.762 125 P CB 0.771 32.395 31.700 -0.128 0.000 0.799 126 T N 5.293 119.806 114.554 -0.069 0.000 3.209 126 T HA 0.319 4.669 4.350 -0.000 0.000 0.366 126 T C -2.534 172.189 174.700 0.038 0.000 1.293 126 T CA -1.319 60.788 62.100 0.011 0.000 1.417 126 T CB 1.085 69.979 68.868 0.043 0.000 1.013 126 T HN 0.344 nan 8.240 nan 0.000 0.572 127 P HA 0.630 nan 4.420 nan 0.000 0.282 127 P C -0.886 176.522 177.300 0.181 0.000 1.259 127 P CA -0.722 62.396 63.100 0.032 0.000 0.826 127 P CB 1.993 33.662 31.700 -0.053 0.000 1.064 128 V N 2.024 122.099 119.914 0.268 0.000 2.851 128 V HA 0.255 4.375 4.120 -0.000 0.000 0.307 128 V C -1.056 175.224 176.094 0.310 0.000 1.129 128 V CA -0.853 61.619 62.300 0.287 0.000 0.932 128 V CB 2.474 34.484 31.823 0.311 0.000 1.024 128 V HN 0.190 nan 8.190 nan 0.000 0.426 129 V N 5.886 125.943 119.914 0.239 0.000 2.406 129 V HA 0.443 4.562 4.120 -0.000 0.000 0.272 129 V C 0.106 176.307 176.094 0.180 0.000 1.043 129 V CA -0.225 62.187 62.300 0.186 0.000 0.915 129 V CB 1.372 33.279 31.823 0.139 0.000 0.988 129 V HN 0.923 nan 8.190 nan 0.000 0.466 130 D N 2.586 123.084 120.400 0.163 0.000 2.432 130 D HA 0.191 4.831 4.640 -0.000 0.000 0.258 130 D C 0.766 177.114 176.300 0.081 0.000 1.146 130 D CA -0.550 53.546 54.000 0.159 0.000 1.015 130 D CB 1.623 42.549 40.800 0.210 0.000 1.107 130 D HN 0.510 nan 8.370 nan 0.000 0.529 131 D N -0.420 120.023 120.400 0.071 0.000 2.218 131 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 131 D C 1.075 177.386 176.300 0.018 0.000 0.976 131 D CA 0.894 54.919 54.000 0.041 0.000 0.853 131 D CB -0.058 40.764 40.800 0.036 0.000 0.939 131 D HN 0.512 nan 8.370 nan 0.000 0.481 132 D N -0.646 119.759 120.400 0.008 0.000 2.340 132 D HA -0.070 4.570 4.640 -0.000 0.000 0.220 132 D C 0.392 176.673 176.300 -0.032 0.000 1.039 132 D CA 0.023 54.014 54.000 -0.016 0.000 0.866 132 D CB -0.295 40.490 40.800 -0.025 0.000 0.913 132 D HN -0.056 nan 8.370 nan 0.000 0.523 133 N N -0.824 117.862 118.700 -0.023 0.000 2.878 133 N HA -0.159 4.580 4.740 -0.000 0.000 0.247 133 N C -1.003 174.458 175.510 -0.082 0.000 1.021 133 N CA 1.059 54.088 53.050 -0.036 0.000 0.873 133 N CB -2.000 36.463 38.487 -0.040 0.000 1.128 133 N HN 0.190 nan 8.380 nan 0.000 0.571 134 T N 1.111 115.595 114.554 -0.117 0.000 2.853 134 T HA 0.318 4.668 4.350 -0.000 0.000 0.298 134 T C 0.652 175.234 174.700 -0.196 0.000 0.978 134 T CA 0.168 62.130 62.100 -0.230 0.000 1.152 134 T CB 0.338 68.985 68.868 -0.368 0.000 0.914 134 T HN 0.159 nan 8.240 nan 0.000 0.539 135 I N 4.406 124.869 120.570 -0.178 0.000 2.307 135 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 135 I C -0.357 175.804 176.117 0.072 0.000 1.021 135 I CA -0.616 60.697 61.300 0.021 0.000 1.224 135 I CB 0.403 38.495 38.000 0.153 0.000 1.376 135 I HN 0.518 nan 8.210 nan 0.000 0.470 136 Y N 6.288 126.703 120.300 0.192 0.000 2.309 136 Y HA 0.497 5.047 4.550 -0.000 0.000 0.327 136 Y C -0.111 175.839 175.900 0.082 0.000 1.172 136 Y CA -0.482 57.699 58.100 0.136 0.000 1.280 136 Y CB 1.157 39.720 38.460 0.171 0.000 1.234 136 Y HN 0.401 nan 8.280 nan 0.000 0.512 137 L N 4.883 126.174 121.223 0.114 0.000 2.415 137 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 137 L C -1.679 175.072 176.870 -0.199 0.000 0.984 137 L CA -0.541 54.224 54.840 -0.125 0.000 0.853 137 L CB 0.036 41.836 42.059 -0.432 0.000 1.215 137 L HN 0.356 nan 8.230 nan 0.000 0.419 138 F N 5.613 125.498 119.950 -0.109 0.000 2.389 138 F HA 0.653 5.180 4.527 -0.000 0.000 0.337 138 F C 0.290 176.044 175.800 -0.077 0.000 1.112 138 F CA -0.040 57.894 58.000 -0.109 0.000 1.192 138 F CB 1.141 40.043 39.000 -0.164 0.000 1.185 138 F HN 0.455 nan 8.300 nan 0.000 0.552 139 L N -0.980 120.356 121.223 0.188 0.000 2.568 139 L HA 0.768 5.108 4.340 -0.000 0.000 0.257 139 L C -0.893 176.111 176.870 0.224 0.000 1.024 139 L CA -0.841 54.098 54.840 0.165 0.000 0.854 139 L CB 1.969 44.120 42.059 0.153 0.000 1.460 139 L HN 0.307 nan 8.230 nan 0.000 0.409 140 S N -0.346 115.451 115.700 0.162 0.000 2.608 140 S HA 0.710 5.180 4.470 -0.000 0.000 0.291 140 S C -1.596 173.099 174.600 0.159 0.000 1.146 140 S CA -0.379 57.893 58.200 0.120 0.000 1.043 140 S CB 1.399 64.572 63.200 -0.045 0.000 1.037 140 S HN 0.743 nan 8.310 nan 0.000 0.520 141 W N 3.280 124.510 121.300 -0.117 0.000 3.138 141 W HA 0.568 5.228 4.660 -0.000 0.000 0.331 141 W C -1.412 174.916 176.519 -0.317 0.000 1.166 141 W CA -0.446 56.680 57.345 -0.365 0.000 1.212 141 W CB 1.106 30.184 29.460 -0.636 0.000 1.399 141 W HN 0.801 nan 8.180 nan 0.000 0.514 142 N N 3.108 121.067 118.700 -1.235 0.000 2.455 142 N HA 0.606 5.346 4.740 -0.000 0.000 0.278 142 N C -0.391 173.821 175.510 -2.163 0.000 1.291 142 N CA -0.841 51.358 53.050 -1.419 0.000 0.780 142 N CB 1.465 39.603 38.487 -0.581 0.000 1.520 142 N HN 0.632 nan 8.380 nan 0.000 0.486 143 G N -0.985 106.889 108.800 -1.543 0.000 2.636 143 G HA2 0.374 4.334 3.960 -0.000 0.000 0.246 143 G HA3 0.374 4.334 3.960 -0.000 0.000 0.246 143 G C 1.053 175.762 174.900 -0.318 0.000 1.216 143 G CA 0.018 44.647 45.100 -0.784 0.000 0.854 143 G HN 0.758 nan 8.290 nan 0.000 0.572 144 A N 0.052 122.796 122.820 -0.126 0.000 1.978 144 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 144 A C 2.242 179.811 177.584 -0.024 0.000 1.170 144 A CA 2.431 54.441 52.037 -0.045 0.000 0.636 144 A CB -0.517 18.496 19.000 0.021 0.000 0.810 144 A HN 1.109 nan 8.150 nan 0.000 0.448 145 T N -4.772 109.762 114.554 -0.033 0.000 3.134 145 T HA 0.462 4.812 4.350 -0.000 0.000 0.260 145 T C -0.162 174.333 174.700 -0.341 0.000 1.027 145 T CA -0.407 61.591 62.100 -0.171 0.000 0.913 145 T CB -0.399 68.331 68.868 -0.229 0.000 1.046 145 T HN 0.238 nan 8.240 nan 0.000 0.553 146 Y N 1.943 122.162 120.300 -0.135 0.000 2.468 146 Y HA 0.653 5.203 4.550 -0.000 0.000 0.342 146 Y C 0.446 176.261 175.900 -0.142 0.000 1.021 146 Y CA -0.839 57.179 58.100 -0.137 0.000 1.079 146 Y CB 2.282 40.663 38.460 -0.131 0.000 1.226 146 Y HN 0.307 nan 8.280 nan 0.000 0.460 147 S N 0.477 116.167 115.700 -0.016 0.000 2.618 147 S HA 0.257 4.727 4.470 -0.000 0.000 0.277 147 S C 0.331 174.925 174.600 -0.010 0.000 1.138 147 S CA -0.949 57.199 58.200 -0.087 0.000 0.844 147 S CB 2.005 64.828 63.200 -0.628 0.000 1.127 147 S HN 0.809 nan 8.310 nan 0.000 0.474 148 Q N 0.922 120.728 119.800 0.010 0.000 2.045 148 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 148 Q C 1.095 176.992 176.000 -0.171 0.000 0.991 148 Q CA 2.382 58.091 55.803 -0.156 0.000 0.851 148 Q CB -0.257 28.122 28.738 -0.599 0.000 0.911 148 Q HN 0.763 nan 8.270 nan 0.000 0.418 149 N N -0.684 117.903 118.700 -0.188 0.000 2.395 149 N HA 0.103 4.843 4.740 -0.000 0.000 0.175 149 N C 0.405 175.826 175.510 -0.149 0.000 1.029 149 N CA 1.045 53.995 53.050 -0.166 0.000 0.897 149 N CB 0.468 38.860 38.487 -0.158 0.000 0.991 149 N HN 0.393 nan 8.380 nan 0.000 0.441 150 G N 1.543 110.230 108.800 -0.189 0.000 2.787 150 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.685 150 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.685 150 G C -0.260 174.516 174.900 -0.208 0.000 1.437 150 G CA -0.140 44.848 45.100 -0.187 0.000 0.872 150 G HN 0.075 nan 8.290 nan 0.000 0.566 151 K N -0.962 119.317 120.400 -0.200 0.000 3.160 151 K HA -0.146 4.174 4.320 -0.000 0.000 0.280 151 K C 0.213 176.698 176.600 -0.191 0.000 1.154 151 K CA 1.760 57.945 56.287 -0.169 0.000 0.822 151 K CB -1.543 30.885 32.500 -0.120 0.000 1.239 151 K HN 0.814 nan 8.250 nan 0.000 0.489 152 D N 0.361 120.578 120.400 -0.305 0.000 2.255 152 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 152 D C 0.258 176.442 176.300 -0.192 0.000 1.078 152 D CA -0.355 53.454 54.000 -0.319 0.000 0.896 152 D CB 1.385 41.686 40.800 -0.833 0.000 1.194 152 D HN -0.228 nan 8.370 nan 0.000 0.429 153 V N 3.438 123.319 119.914 -0.055 0.000 2.432 153 V HA 0.182 4.302 4.120 -0.000 0.000 0.271 153 V C 0.860 176.997 176.094 0.072 0.000 1.046 153 V CA -0.577 61.715 62.300 -0.014 0.000 0.945 153 V CB 0.782 32.595 31.823 -0.017 0.000 0.992 153 V HN 0.308 nan 8.190 nan 0.000 0.471 154 L N 6.304 127.558 121.223 0.052 0.000 2.479 154 L HA 0.271 4.611 4.340 -0.000 0.000 0.248 154 L C -1.077 175.804 176.870 0.017 0.000 1.205 154 L CA -1.420 53.471 54.840 0.085 0.000 0.817 154 L CB 0.413 42.508 42.059 0.058 0.000 1.162 154 L HN 0.396 nan 8.230 nan 0.000 0.486 155 P HA -0.164 nan 4.420 nan 0.000 0.218 155 P C 0.414 177.665 177.300 -0.081 0.000 1.148 155 P CA 1.116 64.171 63.100 -0.074 0.000 0.822 155 P CB 0.007 31.613 31.700 -0.158 0.000 0.784 156 D N -2.182 118.177 120.400 -0.068 0.000 2.325 156 D HA 0.113 4.753 4.640 -0.000 0.000 0.225 156 D C 1.371 177.645 176.300 -0.045 0.000 1.096 156 D CA 0.397 54.361 54.000 -0.061 0.000 0.844 156 D CB -0.806 39.960 40.800 -0.057 0.000 0.925 156 D HN 0.220 nan 8.370 nan 0.000 0.513 157 G N -0.241 108.536 108.800 -0.039 0.000 2.225 157 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 157 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 157 G C 0.501 175.377 174.900 -0.039 0.000 0.988 157 G CA 0.378 45.456 45.100 -0.037 0.000 0.625 157 G HN 0.706 nan 8.290 nan 0.000 0.527 158 T N 0.703 115.233 114.554 -0.040 0.000 2.928 158 T HA 0.443 4.793 4.350 -0.000 0.000 0.305 158 T C 0.558 175.218 174.700 -0.067 0.000 1.035 158 T CA 0.401 62.470 62.100 -0.052 0.000 1.145 158 T CB 0.875 69.713 68.868 -0.051 0.000 0.963 158 T HN 0.758 nan 8.240 nan 0.000 0.545 159 V N 6.611 126.472 119.914 -0.088 0.000 2.407 159 V HA 0.376 4.496 4.120 -0.000 0.000 0.278 159 V C 1.088 177.083 176.094 -0.164 0.000 1.037 159 V CA -0.789 61.441 62.300 -0.116 0.000 0.900 159 V CB 1.211 32.973 31.823 -0.102 0.000 0.983 159 V HN 1.151 nan 8.190 nan 0.000 0.459 160 T N 2.824 117.248 114.554 -0.216 0.000 2.898 160 T HA 0.386 4.736 4.350 -0.000 0.000 0.301 160 T C -0.149 174.381 174.700 -0.284 0.000 1.049 160 T CA -0.655 61.277 62.100 -0.280 0.000 1.095 160 T CB 0.651 69.305 68.868 -0.358 0.000 0.976 160 T HN 0.587 nan 8.240 nan 0.000 0.539 161 K N 1.040 121.206 120.400 -0.391 0.000 2.118 161 K HA 0.299 4.619 4.320 -0.000 0.000 0.264 161 K C 0.182 176.698 176.600 -0.139 0.000 1.000 161 K CA -0.851 55.242 56.287 -0.324 0.000 0.929 161 K CB 1.002 33.176 32.500 -0.543 0.000 1.021 161 K HN 0.598 nan 8.250 nan 0.000 0.463 162 K N 2.672 123.058 120.400 -0.023 0.000 2.368 162 K HA 0.110 4.430 4.320 -0.000 0.000 0.282 162 K C -0.220 176.511 176.600 0.218 0.000 1.035 162 K CA -0.286 56.029 56.287 0.047 0.000 0.973 162 K CB 0.381 32.882 32.500 0.001 0.000 0.957 162 K HN 0.453 nan 8.250 nan 0.000 0.474 163 I N 4.757 125.455 120.570 0.213 0.000 2.826 163 I HA -0.181 3.989 4.170 -0.000 0.000 0.295 163 I C 0.392 176.582 176.117 0.121 0.000 1.213 163 I CA 0.626 62.037 61.300 0.185 0.000 1.436 163 I CB 0.173 38.306 38.000 0.221 0.000 1.348 163 I HN 0.805 nan 8.210 nan 0.000 0.570 164 D N 2.468 122.904 120.400 0.060 0.000 2.781 164 D HA 0.235 4.875 4.640 -0.000 0.000 0.295 164 D C 0.282 176.609 176.300 0.045 0.000 1.143 164 D CA -0.495 53.545 54.000 0.065 0.000 1.076 164 D CB 0.652 41.509 40.800 0.096 0.000 1.444 164 D HN 0.331 nan 8.370 nan 0.000 0.567 165 S N -1.896 113.845 115.700 0.067 0.000 2.575 165 S HA 0.137 4.607 4.470 -0.000 0.000 0.215 165 S C 0.821 175.480 174.600 0.099 0.000 0.966 165 S CA 0.143 58.394 58.200 0.086 0.000 0.911 165 S CB -1.283 61.974 63.200 0.095 0.000 0.780 165 S HN 0.754 nan 8.310 nan 0.000 0.514 166 T N -2.157 112.450 114.554 0.090 0.000 2.813 166 T HA 0.095 4.445 4.350 -0.000 0.000 0.297 166 T C 0.756 175.568 174.700 0.188 0.000 1.036 166 T CA -0.710 61.472 62.100 0.136 0.000 1.044 166 T CB 0.359 69.305 68.868 0.130 0.000 0.993 166 T HN 0.514 nan 8.240 nan 0.000 0.535 167 W N 2.038 123.366 121.300 0.045 0.000 2.335 167 W HA -0.193 4.467 4.660 -0.000 0.000 0.311 167 W C 2.043 178.689 176.519 0.212 0.000 1.213 167 W CA 1.923 59.326 57.345 0.097 0.000 1.274 167 W CB -0.001 29.509 29.460 0.084 0.000 1.148 167 W HN 1.035 nan 8.180 nan 0.000 0.498 168 E N -0.595 119.691 120.200 0.143 0.000 2.274 168 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 168 E C 1.961 178.382 176.600 -0.297 0.000 0.996 168 E CA 1.367 57.768 56.400 0.003 0.000 0.840 168 E CB -0.760 29.027 29.700 0.145 0.000 0.772 168 E HN 0.197 nan 8.360 nan 0.000 0.491 169 G N 1.752 110.298 108.800 -0.423 0.000 3.126 169 G HA2 0.026 3.986 3.960 -0.000 0.000 0.224 169 G HA3 0.026 3.986 3.960 -0.000 0.000 0.224 169 G C 0.554 175.130 174.900 -0.539 0.000 1.142 169 G CA -0.417 44.036 45.100 -1.080 0.000 0.759 169 G HN 0.208 nan 8.290 nan 0.000 0.550 170 R N -0.166 120.208 120.500 -0.210 0.000 2.553 170 R HA 0.578 4.918 4.340 -0.000 0.000 0.263 170 R C -0.547 175.737 176.300 -0.026 0.000 1.066 170 R CA -0.863 55.186 56.100 -0.085 0.000 1.135 170 R CB 0.977 31.248 30.300 -0.048 0.000 1.148 170 R HN -0.207 nan 8.270 nan 0.000 0.558 171 R N 1.519 121.981 120.500 -0.063 0.000 2.298 171 R HA 0.198 4.538 4.340 -0.000 0.000 0.310 171 R C -0.182 176.121 176.300 0.005 0.000 1.068 171 R CA -0.206 55.839 56.100 -0.091 0.000 0.957 171 R CB 0.609 30.683 30.300 -0.377 0.000 1.003 171 R HN 0.672 nan 8.270 nan 0.000 0.454 172 H N 1.548 120.609 119.070 -0.015 0.000 2.544 172 H HA 0.328 4.884 4.556 -0.000 0.000 0.342 172 H C -0.520 174.822 175.328 0.022 0.000 1.185 172 H CA -0.932 55.093 56.048 -0.038 0.000 1.264 172 H CB 2.208 31.932 29.762 -0.063 0.000 1.607 172 H HN 0.148 nan 8.280 nan 0.000 0.550 173 L N 2.325 123.573 121.223 0.041 0.000 2.325 173 L HA 0.299 4.638 4.340 -0.000 0.000 0.281 173 L C -1.707 175.167 176.870 0.008 0.000 1.004 173 L CA -0.351 54.529 54.840 0.067 0.000 0.823 173 L CB 0.491 42.548 42.059 -0.003 0.000 1.236 173 L HN 0.437 nan 8.230 nan 0.000 0.415 174 Y N 4.336 124.703 120.300 0.112 0.000 2.549 174 Y HA 0.720 5.270 4.550 -0.000 0.000 0.339 174 Y C -0.811 175.066 175.900 -0.039 0.000 1.053 174 Y CA -0.623 57.527 58.100 0.083 0.000 1.105 174 Y CB 2.204 40.791 38.460 0.211 0.000 1.258 174 Y HN 0.541 nan 8.280 nan 0.000 0.478 175 L N 1.796 123.038 121.223 0.030 0.000 2.409 175 L HA 0.670 5.010 4.340 -0.000 0.000 0.272 175 L C -0.570 176.273 176.870 -0.045 0.000 0.980 175 L CA -0.093 54.597 54.840 -0.250 0.000 0.826 175 L CB 1.984 43.729 42.059 -0.524 0.000 1.268 175 L HN 0.667 nan 8.230 nan 0.000 0.407 176 T N 3.366 117.896 114.554 -0.040 0.000 2.930 176 T HA 0.855 5.205 4.350 -0.000 0.000 0.290 176 T C -1.401 173.426 174.700 0.213 0.000 1.052 176 T CA -0.370 61.786 62.100 0.093 0.000 1.017 176 T CB 1.223 70.139 68.868 0.080 0.000 1.137 176 T HN 0.805 nan 8.240 nan 0.000 0.511 177 E N 0.757 121.115 120.200 0.264 0.000 2.430 177 E HA 0.515 4.865 4.350 -0.000 0.000 0.279 177 E C -1.625 174.903 176.600 -0.121 0.000 1.003 177 E CA -0.823 55.669 56.400 0.152 0.000 0.801 177 E CB 1.493 31.144 29.700 -0.082 0.000 1.313 177 E HN 0.447 nan 8.360 nan 0.000 0.459 178 S N 0.070 115.460 115.700 -0.517 0.000 2.500 178 S HA 0.502 4.972 4.470 -0.000 0.000 0.301 178 S C -0.033 174.295 174.600 -0.454 0.000 1.092 178 S CA -0.669 57.056 58.200 -0.791 0.000 1.030 178 S CB 0.769 63.039 63.200 -1.550 0.000 1.031 178 S HN 0.456 nan 8.310 nan 0.000 0.483 179 R N 2.328 122.624 120.500 -0.341 0.000 2.397 179 R HA 0.202 4.542 4.340 -0.000 0.000 0.241 179 R C -0.590 175.592 176.300 -0.197 0.000 0.914 179 R CA 0.144 56.107 56.100 -0.229 0.000 1.071 179 R CB -0.202 30.000 30.300 -0.164 0.000 1.116 179 R HN 0.738 nan 8.270 nan 0.000 0.524 180 D N -0.626 119.629 120.400 -0.241 0.000 2.957 180 D HA 0.104 4.744 4.640 -0.000 0.000 0.352 180 D C -0.349 175.848 176.300 -0.171 0.000 1.352 180 D CA -0.637 53.257 54.000 -0.175 0.000 0.831 180 D CB 0.164 40.876 40.800 -0.147 0.000 1.147 180 D HN -0.207 nan 8.370 nan 0.000 0.467 181 D N 0.157 120.453 120.400 -0.173 0.000 2.870 181 D HA -0.143 4.497 4.640 -0.000 0.000 0.228 181 D C 1.348 177.586 176.300 -0.104 0.000 1.147 181 D CA 1.864 55.796 54.000 -0.113 0.000 0.757 181 D CB -1.255 39.502 40.800 -0.071 0.000 1.091 181 D HN 0.779 nan 8.370 nan 0.000 0.429 182 G N -0.689 107.957 108.800 -0.256 0.000 2.176 182 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.253 182 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.253 182 G C 1.001 175.852 174.900 -0.083 0.000 0.979 182 G CA 0.826 45.796 45.100 -0.217 0.000 0.641 182 G HN 0.552 nan 8.290 nan 0.000 0.530 183 N N 0.824 119.455 118.700 -0.114 0.000 2.084 183 N HA 0.034 4.774 4.740 -0.000 0.000 0.190 183 N C 1.361 176.888 175.510 0.028 0.000 1.030 183 N CA 2.397 55.455 53.050 0.014 0.000 0.849 183 N CB -0.025 38.444 38.487 -0.030 0.000 1.012 183 N HN 0.942 nan 8.380 nan 0.000 0.423 184 T N -4.022 110.406 114.554 -0.210 0.000 2.906 184 T HA 0.588 4.938 4.350 -0.000 0.000 0.295 184 T C -1.299 173.088 174.700 -0.522 0.000 1.075 184 T CA -0.862 61.146 62.100 -0.153 0.000 1.005 184 T CB 1.214 70.043 68.868 -0.065 0.000 1.136 184 T HN 0.131 nan 8.240 nan 0.000 0.498 185 W N 1.216 122.499 121.300 -0.027 0.000 2.819 185 W HA 0.598 5.258 4.660 -0.000 0.000 0.337 185 W C 0.446 176.932 176.519 -0.055 0.000 1.077 185 W CA -0.728 56.579 57.345 -0.065 0.000 1.226 185 W CB 2.029 31.426 29.460 -0.105 0.000 1.419 185 W HN 0.997 nan 8.180 nan 0.000 0.502 186 S N 1.518 117.306 115.700 0.146 0.000 2.593 186 S HA 0.242 4.712 4.470 -0.000 0.000 0.269 186 S C 0.100 174.746 174.600 0.075 0.000 1.334 186 S CA -0.776 57.473 58.200 0.081 0.000 1.015 186 S CB 0.958 64.193 63.200 0.058 0.000 0.912 186 S HN 0.481 nan 8.310 nan 0.000 0.541 187 K N 1.650 122.074 120.400 0.040 0.000 2.472 187 K HA 0.151 4.471 4.320 -0.000 0.000 0.280 187 K C -2.481 174.138 176.600 0.031 0.000 1.028 187 K CA -1.292 55.000 56.287 0.009 0.000 1.045 187 K CB -0.247 32.264 32.500 0.019 0.000 0.902 187 K HN 0.376 nan 8.250 nan 0.000 0.478 188 P HA -0.023 nan 4.420 nan 0.000 0.268 188 P C -1.156 176.324 177.300 0.300 0.000 1.205 188 P CA -0.321 62.837 63.100 0.095 0.000 0.771 188 P CB 0.807 32.464 31.700 -0.072 0.000 0.858 189 V N 3.098 123.180 119.914 0.280 0.000 2.435 189 V HA 0.194 4.314 4.120 -0.000 0.000 0.290 189 V C 0.284 176.381 176.094 0.006 0.000 1.030 189 V CA -0.491 61.916 62.300 0.177 0.000 0.881 189 V CB 1.592 33.470 31.823 0.093 0.000 0.983 189 V HN 0.478 nan 8.190 nan 0.000 0.445 190 D N 4.043 124.303 120.400 -0.233 0.000 2.336 190 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 190 D C 0.383 176.542 176.300 -0.234 0.000 1.213 190 D CA 0.134 53.739 54.000 -0.659 0.000 0.870 190 D CB 1.135 41.613 40.800 -0.537 0.000 1.076 190 D HN 0.478 nan 8.370 nan 0.000 0.483 191 L N 3.233 124.329 121.223 -0.212 0.000 2.818 191 L HA 0.064 4.404 4.340 -0.000 0.000 0.243 191 L C 1.985 178.811 176.870 -0.072 0.000 1.185 191 L CA -0.155 54.634 54.840 -0.084 0.000 0.988 191 L CB 0.163 42.184 42.059 -0.062 0.000 1.292 191 L HN 0.305 nan 8.230 nan 0.000 0.519 192 T N 0.040 114.541 114.554 -0.088 0.000 2.665 192 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 192 T C 1.860 176.537 174.700 -0.039 0.000 1.035 192 T CA 1.554 63.603 62.100 -0.085 0.000 1.151 192 T CB -0.054 68.709 68.868 -0.175 0.000 0.862 192 T HN 0.345 nan 8.240 nan 0.000 0.438 193 K N 0.720 121.134 120.400 0.023 0.000 2.211 193 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 193 K C 2.377 178.945 176.600 -0.053 0.000 1.050 193 K CA 0.950 57.222 56.287 -0.025 0.000 0.945 193 K CB -0.032 32.431 32.500 -0.062 0.000 0.732 193 K HN 0.477 nan 8.250 nan 0.000 0.451 194 E N 0.261 120.438 120.200 -0.038 0.000 2.122 194 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 194 E C 1.413 177.983 176.600 -0.050 0.000 0.977 194 E CA 0.701 57.086 56.400 -0.025 0.000 0.820 194 E CB 0.353 30.065 29.700 0.021 0.000 0.770 194 E HN 0.211 nan 8.360 nan 0.000 0.462 195 L N 0.175 121.349 121.223 -0.081 0.000 2.966 195 L HA 0.200 4.540 4.340 -0.000 0.000 0.262 195 L C -0.099 176.645 176.870 -0.209 0.000 1.165 195 L CA 0.040 54.809 54.840 -0.119 0.000 0.978 195 L CB 1.258 43.259 42.059 -0.097 0.000 1.337 195 L HN -0.114 nan 8.230 nan 0.000 0.563 196 T N 0.476 114.884 114.554 -0.242 0.000 2.841 196 T HA 0.426 4.776 4.350 -0.000 0.000 0.283 196 T C -2.537 171.866 174.700 -0.495 0.000 1.000 196 T CA -1.362 60.499 62.100 -0.398 0.000 0.977 196 T CB 2.232 70.938 68.868 -0.269 0.000 0.979 196 T HN -0.243 nan 8.240 nan 0.000 0.446 197 P HA 0.180 nan 4.420 nan 0.000 0.269 197 P C -0.412 176.614 177.300 -0.457 0.000 1.209 197 P CA -0.358 62.296 63.100 -0.743 0.000 0.776 197 P CB 0.414 31.411 31.700 -1.171 0.000 0.876 198 D N 1.088 121.370 120.400 -0.197 0.000 2.399 198 D HA 0.268 4.908 4.640 -0.000 0.000 0.241 198 D C 1.611 177.959 176.300 0.081 0.000 1.133 198 D CA 1.441 55.414 54.000 -0.044 0.000 0.890 198 D CB 0.131 40.916 40.800 -0.026 0.000 1.201 198 D HN 0.640 nan 8.370 nan 0.000 0.432 199 G N 0.625 109.505 108.800 0.133 0.000 2.179 199 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 199 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 199 G C -0.073 175.010 174.900 0.304 0.000 0.977 199 G CA -0.118 45.096 45.100 0.190 0.000 0.641 199 G HN 0.371 nan 8.290 nan 0.000 0.533 200 W N 0.512 121.813 121.300 0.001 0.000 2.170 200 W HA 0.689 5.349 4.660 -0.000 0.000 0.336 200 W C 0.972 177.492 176.519 0.002 0.000 1.283 200 W CA 0.339 57.684 57.345 0.000 0.000 1.224 200 W CB 0.925 30.372 29.460 -0.022 0.000 1.132 200 W HN 0.356 nan 8.180 nan 0.000 0.571 201 A N 3.800 126.711 122.820 0.152 0.000 2.213 201 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 201 A C 0.213 177.876 177.584 0.131 0.000 2.232 201 A CA -0.279 51.825 52.037 0.111 0.000 1.017 201 A CB -0.885 18.166 19.000 0.084 0.000 1.372 201 A HN 0.677 nan 8.150 nan 0.000 0.614 202 W N 1.414 122.678 121.300 -0.060 0.000 2.148 202 W HA 0.426 5.086 4.660 -0.000 0.000 0.347 202 W C -1.088 175.432 176.519 0.001 0.000 1.288 202 W CA 1.454 58.767 57.345 -0.053 0.000 1.252 202 W CB 0.693 30.093 29.460 -0.099 0.000 1.156 202 W HN 0.528 nan 8.180 nan 0.000 0.580 203 D N 2.100 122.043 120.400 -0.762 0.000 2.622 203 D HA 0.645 5.285 4.640 -0.000 0.000 0.255 203 D C -1.893 174.018 176.300 -0.648 0.000 1.246 203 D CA -0.399 53.384 54.000 -0.361 0.000 0.795 203 D CB 1.631 42.413 40.800 -0.030 0.000 1.369 203 D HN 0.462 nan 8.370 nan 0.000 0.425 204 A N 0.648 123.341 122.820 -0.211 0.000 2.566 204 A HA 0.625 4.945 4.320 -0.000 0.000 0.297 204 A C -1.704 175.860 177.584 -0.033 0.000 1.059 204 A CA -0.602 51.360 52.037 -0.126 0.000 0.691 204 A CB 1.566 20.581 19.000 0.024 0.000 1.282 204 A HN 0.535 nan 8.150 nan 0.000 0.401 205 V N 2.478 122.378 119.914 -0.024 0.000 2.581 205 V HA 0.730 4.850 4.120 -0.000 0.000 0.303 205 V C 1.134 177.230 176.094 0.003 0.000 1.041 205 V CA 1.325 63.607 62.300 -0.030 0.000 0.907 205 V CB 1.102 32.901 31.823 -0.039 0.000 0.994 205 V HN 2.775 nan 8.190 nan 0.000 0.442 206 G N 7.497 116.291 108.800 -0.011 0.000 2.672 206 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.324 206 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.324 206 G C -2.342 172.586 174.900 0.046 0.000 1.286 206 G CA 0.386 45.497 45.100 0.019 0.000 1.004 206 G HN 0.859 nan 8.290 nan 0.000 0.548 207 P HA 0.547 nan 4.420 nan 0.000 0.285 207 P C 0.578 177.926 177.300 0.080 0.000 1.269 207 P CA 1.183 64.338 63.100 0.092 0.000 0.844 207 P CB 1.631 33.430 31.700 0.165 0.000 1.094 208 G N 1.097 109.946 108.800 0.081 0.000 2.340 208 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.106 208 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.106 208 G C -0.632 174.329 174.900 0.103 0.000 2.445 208 G CA 0.099 45.256 45.100 0.095 0.000 1.363 208 G HN 0.925 nan 8.290 nan 0.000 0.412 209 N N 0.517 119.274 118.700 0.096 0.000 3.043 209 N HA 0.523 5.263 4.740 -0.000 0.000 0.243 209 N C -0.113 175.459 175.510 0.104 0.000 1.347 209 N CA 0.199 53.317 53.050 0.113 0.000 0.896 209 N CB 1.162 39.734 38.487 0.142 0.000 1.501 209 N HN 1.050 nan 8.380 nan 0.000 0.504 210 G N -0.120 108.752 108.800 0.120 0.000 2.531 210 G HA2 0.732 4.692 3.960 -0.000 0.000 0.313 210 G HA3 0.732 4.692 3.960 -0.000 0.000 0.313 210 G C -0.028 174.960 174.900 0.146 0.000 1.238 210 G CA -0.978 44.193 45.100 0.118 0.000 0.994 210 G HN 0.817 nan 8.290 nan 0.000 0.493 211 I N -2.955 117.702 120.570 0.146 0.000 3.042 211 I HA 0.748 4.918 4.170 -0.000 0.000 0.310 211 I C -0.864 175.341 176.117 0.147 0.000 1.117 211 I CA -1.400 59.987 61.300 0.145 0.000 1.003 211 I CB 2.626 40.709 38.000 0.137 0.000 1.228 211 I HN 0.346 nan 8.210 nan 0.000 0.443 212 R N 4.169 124.748 120.500 0.131 0.000 2.343 212 R HA 0.590 4.930 4.340 -0.000 0.000 0.320 212 R C -1.379 174.978 176.300 0.095 0.000 0.956 212 R CA -0.705 55.466 56.100 0.118 0.000 0.836 212 R CB 1.351 31.719 30.300 0.114 0.000 1.151 212 R HN 0.811 nan 8.270 nan 0.000 0.450 213 L N 2.823 124.098 121.223 0.087 0.000 2.439 213 L HA 0.165 4.505 4.340 -0.000 0.000 0.261 213 L C 2.104 179.008 176.870 0.057 0.000 1.153 213 L CA -0.231 54.653 54.840 0.072 0.000 0.808 213 L CB 1.044 43.145 42.059 0.069 0.000 1.126 213 L HN 0.779 nan 8.230 nan 0.000 0.460 214 T N -3.452 111.131 114.554 0.048 0.000 2.721 214 T HA -0.214 4.135 4.350 -0.000 0.000 0.268 214 T C 1.422 176.141 174.700 0.032 0.000 1.038 214 T CA 1.869 63.992 62.100 0.038 0.000 1.145 214 T CB -0.733 68.154 68.868 0.032 0.000 0.858 214 T HN 0.839 nan 8.240 nan 0.000 0.459 215 T N -2.200 112.374 114.554 0.032 0.000 3.148 215 T HA 0.511 4.861 4.350 -0.000 0.000 0.253 215 T C 1.831 176.547 174.700 0.027 0.000 1.134 215 T CA 0.521 62.637 62.100 0.026 0.000 1.051 215 T CB -0.121 68.761 68.868 0.023 0.000 0.959 215 T HN 0.940 nan 8.240 nan 0.000 0.525 216 G N 0.732 109.553 108.800 0.036 0.000 2.253 216 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.209 216 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.209 216 G C -0.197 174.728 174.900 0.041 0.000 0.997 216 G CA -0.312 44.809 45.100 0.035 0.000 0.640 216 G HN 0.583 nan 8.290 nan 0.000 0.496 217 E N 0.435 120.662 120.200 0.044 0.000 2.374 217 E HA 0.670 5.020 4.350 -0.000 0.000 0.260 217 E C 0.629 177.279 176.600 0.083 0.000 1.101 217 E CA -0.238 56.191 56.400 0.049 0.000 0.907 217 E CB 0.952 30.682 29.700 0.050 0.000 1.014 217 E HN 0.375 nan 8.360 nan 0.000 0.427 218 L N 1.266 122.551 121.223 0.103 0.000 2.325 218 L HA 0.516 4.856 4.340 -0.000 0.000 0.279 218 L C -0.805 176.164 176.870 0.165 0.000 1.054 218 L CA -1.070 53.871 54.840 0.167 0.000 0.804 218 L CB 1.105 43.319 42.059 0.258 0.000 1.200 218 L HN 0.219 nan 8.230 nan 0.000 0.436 219 V N 4.012 124.014 119.914 0.147 0.000 2.483 219 V HA 0.437 4.557 4.120 -0.000 0.000 0.297 219 V C -0.433 175.697 176.094 0.060 0.000 1.027 219 V CA -0.394 61.970 62.300 0.108 0.000 0.855 219 V CB 1.983 33.879 31.823 0.122 0.000 0.995 219 V HN 0.449 nan 8.190 nan 0.000 0.424 220 I N 7.633 128.177 120.570 -0.045 0.000 2.389 220 I HA 0.497 4.667 4.170 -0.000 0.000 0.288 220 I C -2.333 173.691 176.117 -0.155 0.000 0.999 220 I CA -2.039 59.166 61.300 -0.158 0.000 1.129 220 I CB 2.265 39.967 38.000 -0.496 0.000 1.288 220 I HN 0.418 nan 8.210 nan 0.000 0.444 221 P HA 0.495 nan 4.420 nan 0.000 0.279 221 P C -1.005 176.240 177.300 -0.092 0.000 1.239 221 P CA -0.206 62.858 63.100 -0.060 0.000 0.789 221 P CB 1.829 33.531 31.700 0.002 0.000 0.933 222 A N 3.447 126.218 122.820 -0.082 0.000 2.552 222 A HA 0.619 4.939 4.320 -0.000 0.000 0.288 222 A C -0.364 177.219 177.584 -0.002 0.000 1.193 222 A CA -1.081 50.920 52.037 -0.061 0.000 0.713 222 A CB 0.988 19.920 19.000 -0.114 0.000 1.305 222 A HN 0.576 nan 8.150 nan 0.000 0.424 223 M N 1.402 121.038 119.600 0.061 0.000 2.327 223 M HA 0.380 4.860 4.480 -0.000 0.000 0.353 223 M C 1.201 177.628 176.300 0.211 0.000 1.539 223 M CA 2.200 57.576 55.300 0.126 0.000 1.039 223 M CB -0.306 32.407 32.600 0.189 0.000 1.967 223 M HN 2.131 nan 8.290 nan 0.000 0.459 224 G N 4.387 113.245 108.800 0.096 0.000 2.180 224 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 224 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 224 G C -0.102 174.845 174.900 0.078 0.000 0.989 224 G CA 0.971 46.144 45.100 0.121 0.000 0.692 224 G HN 0.994 nan 8.290 nan 0.000 0.526 225 R N -1.975 118.530 120.500 0.010 0.000 2.709 225 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 225 R C -1.593 174.656 176.300 -0.085 0.000 1.038 225 R CA -1.067 55.005 56.100 -0.047 0.000 0.872 225 R CB 0.292 30.550 30.300 -0.070 0.000 1.259 225 R HN 0.013 nan 8.270 nan 0.000 0.473 226 N N 1.069 119.713 118.700 -0.094 0.000 2.456 226 N HA 0.474 5.214 4.740 -0.000 0.000 0.296 226 N C -0.605 174.851 175.510 -0.089 0.000 1.102 226 N CA -0.536 52.463 53.050 -0.086 0.000 0.924 226 N CB 1.568 40.032 38.487 -0.038 0.000 1.186 226 N HN 0.441 nan 8.380 nan 0.000 0.492 227 I N 2.312 122.797 120.570 -0.141 0.000 2.336 227 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 227 I C -0.216 175.903 176.117 0.003 0.000 0.991 227 I CA -0.592 60.624 61.300 -0.140 0.000 1.227 227 I CB 1.004 38.750 38.000 -0.424 0.000 1.366 227 I HN 0.164 nan 8.210 nan 0.000 0.466 228 I N 5.346 125.990 120.570 0.124 0.000 2.378 228 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 228 I C 0.584 176.859 176.117 0.263 0.000 0.992 228 I CA -0.397 61.002 61.300 0.166 0.000 1.154 228 I CB 1.273 39.335 38.000 0.102 0.000 1.315 228 I HN 0.570 nan 8.210 nan 0.000 0.448 229 G N 6.504 115.435 108.800 0.219 0.000 2.368 229 G HA2 0.702 4.662 3.960 -0.000 0.000 0.320 229 G HA3 0.702 4.662 3.960 -0.000 0.000 0.320 229 G C -0.310 174.503 174.900 -0.146 0.000 1.158 229 G CA -0.569 44.453 45.100 -0.130 0.000 0.912 229 G HN 0.562 nan 8.290 nan 0.000 0.456 230 R N 0.809 121.173 120.500 -0.227 0.000 2.837 230 R HA 0.813 5.153 4.340 -0.000 0.000 0.271 230 R C 0.387 176.587 176.300 -0.166 0.000 0.993 230 R CA 0.147 56.167 56.100 -0.133 0.000 0.931 230 R CB 2.277 32.532 30.300 -0.076 0.000 1.206 230 R HN 1.174 nan 8.270 nan 0.000 0.474 231 G N 0.466 109.208 108.800 -0.097 0.000 2.451 231 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.208 231 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.208 231 G C -0.961 173.903 174.900 -0.060 0.000 1.248 231 G CA -0.489 44.562 45.100 -0.081 0.000 0.989 231 G HN 0.786 nan 8.290 nan 0.000 0.559 232 A N 1.423 124.213 122.820 -0.051 0.000 2.488 232 A HA 0.616 4.936 4.320 -0.000 0.000 0.249 232 A C -1.724 175.857 177.584 -0.006 0.000 1.083 232 A CA -0.054 51.969 52.037 -0.024 0.000 0.768 232 A CB -0.307 18.680 19.000 -0.021 0.000 1.017 232 A HN 0.549 nan 8.150 nan 0.000 0.496 233 P HA 0.148 nan 4.420 nan 0.000 0.261 233 P C 1.148 178.479 177.300 0.051 0.000 1.183 233 P CA 2.094 65.225 63.100 0.051 0.000 0.761 233 P CB 0.530 32.252 31.700 0.036 0.000 0.785 234 G N 2.929 111.800 108.800 0.118 0.000 2.184 234 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 234 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 234 G C 0.596 175.558 174.900 0.103 0.000 0.975 234 G CA 0.111 45.219 45.100 0.014 0.000 0.642 234 G HN 0.655 nan 8.290 nan 0.000 0.536 235 N N -0.077 118.686 118.700 0.105 0.000 2.622 235 N HA 0.136 4.876 4.740 -0.000 0.000 0.304 235 N C 0.291 175.767 175.510 -0.056 0.000 1.844 235 N CA -0.435 52.649 53.050 0.057 0.000 0.886 235 N CB 0.195 38.691 38.487 0.014 0.000 1.366 235 N HN 0.171 nan 8.380 nan 0.000 0.491 236 R N 0.667 121.077 120.500 -0.149 0.000 2.694 236 R HA 0.164 4.504 4.340 -0.000 0.000 0.268 236 R C 0.525 176.388 176.300 -0.729 0.000 1.061 236 R CA 0.116 55.898 56.100 -0.530 0.000 1.133 236 R CB 0.277 29.969 30.300 -1.013 0.000 1.020 236 R HN 0.258 nan 8.270 nan 0.000 0.475 237 T N -1.534 112.656 114.554 -0.606 0.000 2.902 237 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 237 T C -0.412 173.962 174.700 -0.542 0.000 1.009 237 T CA -0.798 61.004 62.100 -0.496 0.000 1.051 237 T CB 0.922 69.671 68.868 -0.199 0.000 0.999 237 T HN 0.493 nan 8.240 nan 0.000 0.474 238 W N 1.376 122.679 121.300 0.005 0.000 2.606 238 W HA 0.626 5.286 4.660 -0.000 0.000 0.332 238 W C 0.278 176.790 176.519 -0.012 0.000 1.052 238 W CA -0.711 56.635 57.345 0.001 0.000 1.223 238 W CB 1.942 31.422 29.460 0.033 0.000 1.383 238 W HN 1.029 nan 8.180 nan 0.000 0.524 239 S N -0.070 115.766 115.700 0.228 0.000 2.651 239 S HA 0.808 5.278 4.470 -0.000 0.000 0.279 239 S C -1.520 173.120 174.600 0.067 0.000 1.148 239 S CA -1.013 57.252 58.200 0.108 0.000 0.837 239 S CB 1.516 64.754 63.200 0.062 0.000 1.138 239 S HN 0.236 nan 8.310 nan 0.000 0.478 240 V N 1.738 121.660 119.914 0.014 0.000 2.435 240 V HA 0.531 4.650 4.120 -0.000 0.000 0.290 240 V C -0.272 175.816 176.094 -0.011 0.000 1.030 240 V CA -0.480 61.803 62.300 -0.028 0.000 0.881 240 V CB 1.334 33.107 31.823 -0.083 0.000 0.983 240 V HN 0.944 nan 8.190 nan 0.000 0.445 241 Q N 5.035 124.831 119.800 -0.006 0.000 2.400 241 Q HA 0.370 4.710 4.340 -0.000 0.000 0.255 241 Q C -0.472 175.523 176.000 -0.007 0.000 1.008 241 Q CA -0.826 54.988 55.803 0.018 0.000 0.841 241 Q CB 0.713 29.487 28.738 0.059 0.000 1.220 241 Q HN 0.578 nan 8.270 nan 0.000 0.474 242 R N 3.296 123.797 120.500 0.002 0.000 2.543 242 R HA 0.350 4.690 4.340 -0.000 0.000 0.277 242 R C -0.542 175.774 176.300 0.027 0.000 1.074 242 R CA -0.073 56.032 56.100 0.007 0.000 1.076 242 R CB 0.303 30.615 30.300 0.020 0.000 0.993 242 R HN 0.635 nan 8.270 nan 0.000 0.459 243 L N 1.129 122.367 121.223 0.026 0.000 2.372 243 L HA 0.237 4.577 4.340 -0.000 0.000 0.274 243 L C 0.339 177.264 176.870 0.092 0.000 0.988 243 L CA -0.601 54.267 54.840 0.047 0.000 0.833 243 L CB 1.978 44.026 42.059 -0.018 0.000 1.236 243 L HN 0.506 nan 8.230 nan 0.000 0.410 244 S N 2.058 117.837 115.700 0.132 0.000 2.488 244 S HA 0.409 4.879 4.470 -0.000 0.000 0.278 244 S C 1.160 175.855 174.600 0.159 0.000 1.259 244 S CA 0.804 59.076 58.200 0.119 0.000 1.061 244 S CB 0.307 63.577 63.200 0.116 0.000 0.910 244 S HN 1.015 nan 8.310 nan 0.000 0.491 245 G N 3.084 111.896 108.800 0.019 0.000 2.176 245 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.253 245 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.253 245 G C 0.335 174.862 174.900 -0.622 0.000 0.979 245 G CA 0.067 45.109 45.100 -0.097 0.000 0.641 245 G HN 1.391 nan 8.290 nan 0.000 0.530 246 A N 0.256 122.640 122.820 -0.726 0.000 2.425 246 A HA 0.689 5.009 4.320 -0.000 0.000 0.242 246 A C 1.318 178.556 177.584 -0.577 0.000 1.077 246 A CA 1.129 52.508 52.037 -1.097 0.000 0.781 246 A CB 0.261 18.991 19.000 -0.450 0.000 1.020 246 A HN 1.745 nan 8.150 nan 0.000 0.494 247 G N -1.133 107.371 108.800 -0.492 0.000 2.563 247 G HA2 0.487 4.447 3.960 -0.000 0.000 0.283 247 G HA3 0.487 4.447 3.960 -0.000 0.000 0.283 247 G C 1.039 175.867 174.900 -0.120 0.000 1.309 247 G CA 0.193 45.147 45.100 -0.243 0.000 1.022 247 G HN 1.295 nan 8.290 nan 0.000 0.501 248 A N -1.101 121.689 122.820 -0.049 0.000 1.898 248 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 248 A C 1.119 178.735 177.584 0.052 0.000 1.183 248 A CA 0.914 52.976 52.037 0.043 0.000 0.622 248 A CB -0.100 18.974 19.000 0.123 0.000 0.824 248 A HN 0.583 nan 8.150 nan 0.000 0.444 249 E N -0.061 120.151 120.200 0.020 0.000 2.101 249 E HA 0.475 4.825 4.350 -0.000 0.000 0.260 249 E C -0.241 176.350 176.600 -0.015 0.000 0.897 249 E CA -0.445 55.961 56.400 0.010 0.000 0.744 249 E CB 1.289 30.984 29.700 -0.007 0.000 1.140 249 E HN 0.412 nan 8.360 nan 0.000 0.419 250 G N 1.426 110.224 108.800 -0.002 0.000 2.471 250 G HA2 0.568 4.528 3.960 -0.000 0.000 0.332 250 G HA3 0.568 4.528 3.960 -0.000 0.000 0.332 250 G C -0.320 174.607 174.900 0.045 0.000 1.176 250 G CA -0.434 44.676 45.100 0.017 0.000 0.949 250 G HN 0.338 nan 8.290 nan 0.000 0.488 251 T N -2.124 112.483 114.554 0.089 0.000 2.907 251 T HA 0.701 5.051 4.350 -0.000 0.000 0.292 251 T C -0.964 173.832 174.700 0.161 0.000 1.043 251 T CA -0.684 61.494 62.100 0.130 0.000 1.003 251 T CB 1.939 70.918 68.868 0.185 0.000 1.084 251 T HN 0.580 nan 8.240 nan 0.000 0.483 252 I N 1.557 122.238 120.570 0.185 0.000 2.647 252 I HA 0.825 4.995 4.170 -0.000 0.000 0.295 252 I C -1.370 174.905 176.117 0.264 0.000 1.078 252 I CA -0.820 60.615 61.300 0.224 0.000 1.048 252 I CB 2.010 40.112 38.000 0.170 0.000 1.239 252 I HN 0.762 nan 8.210 nan 0.000 0.421 253 V N 6.332 126.443 119.914 0.328 0.000 3.114 253 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 253 V C -1.112 175.115 176.094 0.222 0.000 1.168 253 V CA -0.512 61.943 62.300 0.258 0.000 1.015 253 V CB 2.268 34.239 31.823 0.247 0.000 1.050 253 V HN 0.810 nan 8.190 nan 0.000 0.433 254 Q N 2.299 122.187 119.800 0.148 0.000 2.331 254 Q HA 0.485 4.824 4.340 -0.000 0.000 0.257 254 Q C -0.073 175.962 176.000 0.059 0.000 0.957 254 Q CA -0.465 55.402 55.803 0.106 0.000 0.923 254 Q CB 1.315 30.105 28.738 0.087 0.000 1.212 254 Q HN 0.955 nan 8.270 nan 0.000 0.443 255 T N 1.447 116.019 114.554 0.030 0.000 2.788 255 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 255 T C -1.937 172.755 174.700 -0.014 0.000 1.007 255 T CA -1.483 60.596 62.100 -0.035 0.000 1.005 255 T CB 0.553 69.374 68.868 -0.078 0.000 1.012 255 T HN 0.439 nan 8.240 nan 0.000 0.530 256 P HA -0.067 nan 4.420 nan 0.000 0.220 256 P C 1.025 178.324 177.300 -0.001 0.000 1.148 256 P CA 0.955 64.053 63.100 -0.003 0.000 0.803 256 P CB -0.166 31.533 31.700 -0.003 0.000 0.782 257 D N -1.516 118.878 120.400 -0.011 0.000 2.378 257 D HA -0.004 4.636 4.640 -0.000 0.000 0.227 257 D C 1.505 177.801 176.300 -0.006 0.000 1.012 257 D CA 0.960 54.954 54.000 -0.009 0.000 0.905 257 D CB -1.122 39.668 40.800 -0.016 0.000 0.895 257 D HN 0.237 nan 8.370 nan 0.000 0.532 258 G N -0.274 108.526 108.800 0.001 0.000 2.199 258 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 258 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 258 G C 0.365 175.266 174.900 0.001 0.000 0.982 258 G CA 0.324 45.428 45.100 0.007 0.000 0.632 258 G HN 0.508 nan 8.290 nan 0.000 0.529 259 K N -0.166 120.228 120.400 -0.011 0.000 2.118 259 K HA 0.669 4.989 4.320 -0.000 0.000 0.240 259 K C 0.732 177.333 176.600 0.003 0.000 1.035 259 K CA -0.472 55.794 56.287 -0.035 0.000 0.899 259 K CB 0.656 33.118 32.500 -0.063 0.000 1.085 259 K HN 0.204 nan 8.250 nan 0.000 0.498 260 L N 1.110 122.307 121.223 -0.043 0.000 2.360 260 L HA 0.391 4.731 4.340 -0.000 0.000 0.271 260 L C -0.758 176.216 176.870 0.174 0.000 1.057 260 L CA -0.846 54.044 54.840 0.083 0.000 0.803 260 L CB 0.538 42.672 42.059 0.124 0.000 1.207 260 L HN 0.567 nan 8.230 nan 0.000 0.445 261 Y N 2.125 122.529 120.300 0.173 0.000 2.332 261 Y HA 0.415 4.965 4.550 -0.000 0.000 0.325 261 Y C -0.878 175.165 175.900 0.238 0.000 1.054 261 Y CA -0.894 57.311 58.100 0.175 0.000 1.119 261 Y CB 0.945 39.474 38.460 0.115 0.000 1.168 261 Y HN 0.431 nan 8.280 nan 0.000 0.439 262 R N 4.595 125.105 120.500 0.015 0.000 2.312 262 R HA 0.315 4.655 4.340 -0.000 0.000 0.311 262 R C -1.069 175.087 176.300 -0.240 0.000 1.004 262 R CA -0.497 55.590 56.100 -0.023 0.000 0.902 262 R CB 1.275 31.610 30.300 0.057 0.000 1.073 262 R HN 0.766 nan 8.270 nan 0.000 0.457 263 N N 2.636 121.287 118.700 -0.081 0.000 2.540 263 N HA 0.162 4.902 4.740 -0.000 0.000 0.275 263 N C -1.559 174.010 175.510 0.098 0.000 1.053 263 N CA -0.317 52.691 53.050 -0.070 0.000 0.876 263 N CB 1.047 39.507 38.487 -0.046 0.000 1.284 263 N HN 0.340 nan 8.380 nan 0.000 0.518 264 D N 0.820 121.286 120.400 0.110 0.000 2.269 264 D HA 0.260 4.900 4.640 -0.000 0.000 0.244 264 D C 0.159 176.477 176.300 0.030 0.000 0.992 264 D CA -0.391 53.642 54.000 0.056 0.000 0.894 264 D CB 1.852 42.636 40.800 -0.026 0.000 1.248 264 D HN 0.352 nan 8.370 nan 0.000 0.468 265 R N 2.252 122.748 120.500 -0.008 0.000 2.458 265 R HA 0.153 4.493 4.340 -0.000 0.000 0.303 265 R C -2.169 174.112 176.300 -0.032 0.000 1.013 265 R CA -0.922 55.164 56.100 -0.024 0.000 1.026 265 R CB 0.257 30.522 30.300 -0.059 0.000 0.948 265 R HN 0.228 nan 8.270 nan 0.000 0.417 266 P HA -0.004 nan 4.420 nan 0.000 0.274 266 P C 0.045 177.324 177.300 -0.034 0.000 1.237 266 P CA -0.219 62.870 63.100 -0.018 0.000 0.793 266 P CB 1.308 33.017 31.700 0.014 0.000 0.977 267 S N 0.235 115.909 115.700 -0.044 0.000 2.423 267 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 267 S C 0.730 175.307 174.600 -0.039 0.000 1.014 267 S CA 0.591 58.761 58.200 -0.050 0.000 0.965 267 S CB -0.315 62.848 63.200 -0.061 0.000 0.785 267 S HN 0.474 nan 8.310 nan 0.000 0.495 268 Q N 0.834 120.619 119.800 -0.026 0.000 2.413 268 Q HA 0.455 4.795 4.340 -0.000 0.000 0.276 268 Q C -1.066 174.920 176.000 -0.022 0.000 1.099 268 Q CA -0.663 55.126 55.803 -0.022 0.000 0.814 268 Q CB 1.541 30.271 28.738 -0.015 0.000 1.379 268 Q HN 0.293 nan 8.270 nan 0.000 0.436 269 K N 0.337 120.717 120.400 -0.033 0.000 2.524 269 K HA 0.259 4.579 4.320 -0.000 0.000 0.279 269 K C 0.567 177.119 176.600 -0.080 0.000 0.993 269 K CA 1.051 57.304 56.287 -0.058 0.000 1.030 269 K CB 0.209 32.673 32.500 -0.060 0.000 0.891 269 K HN 0.919 nan 8.250 nan 0.000 0.488 270 G N 2.073 110.776 108.800 -0.161 0.000 3.815 270 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.112 270 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.112 270 G C -1.355 173.135 174.900 -0.684 0.000 2.124 270 G CA -0.499 44.389 45.100 -0.354 0.000 0.991 270 G HN 0.506 nan 8.290 nan 0.000 0.287 271 Y N 1.004 121.309 120.300 0.007 0.000 2.571 271 Y HA 0.752 5.302 4.550 -0.000 0.000 0.341 271 Y C 0.066 175.972 175.900 0.009 0.000 1.076 271 Y CA -1.286 56.819 58.100 0.008 0.000 1.029 271 Y CB 1.185 39.650 38.460 0.008 0.000 1.308 271 Y HN 0.177 nan 8.280 nan 0.000 0.461 272 R N 1.836 122.435 120.500 0.165 0.000 2.679 272 R HA 0.236 4.576 4.340 -0.000 0.000 0.268 272 R C -0.664 175.695 176.300 0.097 0.000 1.044 272 R CA 0.060 56.218 56.100 0.096 0.000 1.105 272 R CB 0.176 30.489 30.300 0.021 0.000 0.989 272 R HN 0.588 nan 8.270 nan 0.000 0.447 273 M N 2.455 122.113 119.600 0.097 0.000 2.149 273 M HA 0.315 4.795 4.480 -0.000 0.000 0.342 273 M C -0.606 175.832 176.300 0.229 0.000 1.068 273 M CA -0.845 54.553 55.300 0.164 0.000 0.991 273 M CB 1.604 34.293 32.600 0.148 0.000 1.596 273 M HN 0.138 nan 8.290 nan 0.000 0.439 274 V N 2.600 122.583 119.914 0.116 0.000 2.604 274 V HA 0.916 5.036 4.120 -0.000 0.000 0.305 274 V C -0.295 175.591 176.094 -0.347 0.000 1.043 274 V CA -0.744 61.468 62.300 -0.146 0.000 0.888 274 V CB 1.875 33.579 31.823 -0.198 0.000 0.995 274 V HN 0.974 nan 8.190 nan 0.000 0.429 275 A N 5.205 127.618 122.820 -0.679 0.000 2.498 275 A HA 0.962 5.282 4.320 -0.000 0.000 0.298 275 A C -0.705 176.753 177.584 -0.211 0.000 1.075 275 A CA -0.849 50.792 52.037 -0.660 0.000 0.714 275 A CB 1.895 20.024 19.000 -1.452 0.000 1.299 275 A HN 0.794 nan 8.150 nan 0.000 0.407 276 R N -0.349 120.090 120.500 -0.102 0.000 2.854 276 R HA 0.806 5.146 4.340 -0.000 0.000 0.271 276 R C 0.107 176.120 176.300 -0.478 0.000 0.994 276 R CA -0.120 55.897 56.100 -0.139 0.000 0.945 276 R CB 2.504 32.768 30.300 -0.060 0.000 1.194 276 R HN 1.333 nan 8.270 nan 0.000 0.476 277 G N -0.277 108.034 108.800 -0.815 0.000 2.335 277 G HA2 0.355 4.315 3.960 -0.000 0.000 0.291 277 G HA3 0.355 4.315 3.960 -0.000 0.000 0.291 277 G C -1.134 173.300 174.900 -0.776 0.000 1.261 277 G CA -0.066 44.402 45.100 -1.052 0.000 0.871 277 G HN 0.671 nan 8.290 nan 0.000 0.491 278 T N -2.584 111.620 114.554 -0.583 0.000 2.696 278 T HA 0.552 4.902 4.350 -0.000 0.000 0.291 278 T C 1.039 175.696 174.700 -0.072 0.000 1.095 278 T CA -0.446 61.513 62.100 -0.235 0.000 1.026 278 T CB 1.038 69.830 68.868 -0.128 0.000 1.390 278 T HN 0.547 nan 8.240 nan 0.000 0.513 279 L N 0.638 121.870 121.223 0.016 0.000 2.549 279 L HA 0.052 4.392 4.340 -0.000 0.000 0.229 279 L C 2.047 178.959 176.870 0.070 0.000 1.158 279 L CA 0.873 55.761 54.840 0.079 0.000 0.842 279 L CB -0.385 41.712 42.059 0.064 0.000 0.952 279 L HN 0.632 nan 8.230 nan 0.000 0.452 280 E N 0.075 120.293 120.200 0.031 0.000 2.447 280 E HA 0.248 4.598 4.350 -0.000 0.000 0.195 280 E C 0.968 177.598 176.600 0.050 0.000 1.028 280 E CA 0.548 56.967 56.400 0.031 0.000 0.876 280 E CB 0.669 30.372 29.700 0.005 0.000 0.885 280 E HN 0.367 nan 8.360 nan 0.000 0.500 281 G N 0.138 108.977 108.800 0.065 0.000 2.350 281 G HA2 0.269 4.229 3.960 -0.000 0.000 0.305 281 G HA3 0.269 4.229 3.960 -0.000 0.000 0.305 281 G C -1.670 173.273 174.900 0.072 0.000 1.479 281 G CA -1.070 44.109 45.100 0.133 0.000 0.949 281 G HN -0.041 nan 8.290 nan 0.000 0.651 282 F N 0.420 120.371 119.950 0.001 0.000 2.522 282 F HA 0.735 5.262 4.527 -0.000 0.000 0.324 282 F C 1.165 176.941 175.800 -0.040 0.000 1.077 282 F CA 0.405 58.384 58.000 -0.034 0.000 0.944 282 F CB 2.227 41.199 39.000 -0.048 0.000 1.175 282 F HN 0.779 nan 8.300 nan 0.000 0.468 283 G N 0.488 109.322 108.800 0.057 0.000 2.588 283 G HA2 0.486 4.446 3.960 -0.000 0.000 0.278 283 G HA3 0.486 4.446 3.960 -0.000 0.000 0.278 283 G C -0.651 174.265 174.900 0.028 0.000 1.307 283 G CA -0.357 44.758 45.100 0.025 0.000 1.016 283 G HN 0.873 nan 8.290 nan 0.000 0.503 284 A N -1.011 121.824 122.820 0.025 0.000 2.425 284 A HA 0.540 4.860 4.320 -0.000 0.000 0.242 284 A C -0.467 177.113 177.584 -0.008 0.000 1.077 284 A CA -0.260 51.818 52.037 0.068 0.000 0.781 284 A CB 0.007 19.052 19.000 0.074 0.000 1.020 284 A HN 0.393 nan 8.150 nan 0.000 0.494 285 F N 0.484 120.451 119.950 0.028 0.000 2.429 285 F HA 0.475 5.002 4.527 -0.000 0.000 0.348 285 F C 0.872 176.672 175.800 -0.000 0.000 1.109 285 F CA 1.134 59.137 58.000 0.006 0.000 1.232 285 F CB 1.189 40.182 39.000 -0.012 0.000 1.157 285 F HN 0.715 nan 8.300 nan 0.000 0.564 286 A N 4.298 127.203 122.820 0.142 0.000 2.549 286 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 286 A C -2.910 174.712 177.584 0.063 0.000 1.061 286 A CA -1.943 50.141 52.037 0.079 0.000 0.690 286 A CB 1.333 20.349 19.000 0.027 0.000 1.287 286 A HN 0.398 nan 8.150 nan 0.000 0.402 287 P HA 0.129 nan 4.420 nan 0.000 0.266 287 P C -1.002 176.277 177.300 -0.035 0.000 1.195 287 P CA 0.281 63.397 63.100 0.026 0.000 0.768 287 P CB 0.508 32.202 31.700 -0.011 0.000 0.838 288 D N 2.540 122.939 120.400 -0.002 0.000 2.443 288 D HA 0.231 4.871 4.640 -0.000 0.000 0.221 288 D C 1.057 177.321 176.300 -0.061 0.000 1.097 288 D CA -0.469 53.519 54.000 -0.020 0.000 0.865 288 D CB 0.828 41.636 40.800 0.014 0.000 1.034 288 D HN 0.250 nan 8.370 nan 0.000 0.511 289 A N 2.955 125.644 122.820 -0.218 0.000 2.131 289 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 289 A C 1.908 179.487 177.584 -0.009 0.000 1.158 289 A CA 1.523 53.343 52.037 -0.361 0.000 0.665 289 A CB -0.244 18.569 19.000 -0.312 0.000 0.795 289 A HN 0.587 nan 8.150 nan 0.000 0.460 290 G N -1.296 107.532 108.800 0.048 0.000 2.712 290 G HA2 0.316 4.276 3.960 -0.000 0.000 0.212 290 G HA3 0.316 4.276 3.960 -0.000 0.000 0.212 290 G C 0.487 175.459 174.900 0.119 0.000 1.142 290 G CA 0.133 45.293 45.100 0.101 0.000 0.789 290 G HN 0.399 nan 8.290 nan 0.000 0.535 291 L N 2.138 123.446 121.223 0.141 0.000 2.495 291 L HA 0.305 4.644 4.340 -0.000 0.000 0.248 291 L C -2.461 174.518 176.870 0.181 0.000 1.229 291 L CA -1.904 52.989 54.840 0.088 0.000 0.942 291 L CB 1.924 43.915 42.059 -0.113 0.000 1.242 291 L HN -0.125 nan 8.230 nan 0.000 0.484 292 P HA 0.051 nan 4.420 nan 0.000 0.269 292 P C -0.964 176.295 177.300 -0.069 0.000 1.209 292 P CA 0.214 63.255 63.100 -0.099 0.000 0.776 292 P CB 1.404 33.022 31.700 -0.136 0.000 0.876 293 D N 2.248 122.561 120.400 -0.144 0.000 2.859 293 D HA 0.198 4.838 4.640 -0.000 0.000 0.223 293 D C -2.497 173.744 176.300 -0.099 0.000 1.218 293 D CA -1.973 51.989 54.000 -0.064 0.000 0.850 293 D CB 2.983 43.788 40.800 0.008 0.000 1.656 293 D HN 0.104 nan 8.370 nan 0.000 0.484 294 P HA 0.259 nan 4.420 nan 0.000 0.254 294 P C -0.340 176.937 177.300 -0.039 0.000 1.620 294 P CA 0.188 63.251 63.100 -0.062 0.000 1.050 294 P CB 0.094 31.765 31.700 -0.048 0.000 1.539 295 A N -1.429 121.369 122.820 -0.036 0.000 2.301 295 A HA -0.121 4.199 4.320 -0.000 0.000 0.283 295 A C -0.012 177.566 177.584 -0.011 0.000 1.419 295 A CA 0.417 52.440 52.037 -0.023 0.000 0.730 295 A CB -2.466 16.520 19.000 -0.022 0.000 1.161 295 A HN 0.512 nan 8.150 nan 0.000 0.356 296 C N 1.963 121.242 119.300 -0.035 0.000 3.173 296 C HA 0.695 5.155 4.460 -0.000 0.000 0.310 296 C C 0.295 175.156 174.990 -0.215 0.000 1.306 296 C CA -0.207 58.771 59.018 -0.066 0.000 1.426 296 C CB 1.777 29.512 27.740 -0.008 0.000 1.800 296 C HN 1.164 nan 8.230 nan 0.000 0.470 297 Q N 1.619 121.079 119.800 -0.566 0.000 2.432 297 Q HA 0.478 4.818 4.340 -0.000 0.000 0.264 297 Q C 0.065 175.861 176.000 -0.341 0.000 1.035 297 Q CA 0.824 56.253 55.803 -0.624 0.000 0.908 297 Q CB 1.222 29.141 28.738 -1.366 0.000 1.280 297 Q HN 1.037 nan 8.270 nan 0.000 0.455 298 G N 0.789 109.463 108.800 -0.210 0.000 3.015 298 G HA2 0.632 4.592 3.960 -0.000 0.000 0.281 298 G HA3 0.632 4.592 3.960 -0.000 0.000 0.281 298 G C -1.445 173.350 174.900 -0.175 0.000 1.386 298 G CA -0.185 44.785 45.100 -0.218 0.000 0.959 298 G HN 0.741 nan 8.290 nan 0.000 0.522 299 S N -2.187 113.335 115.700 -0.297 0.000 2.564 299 S HA 0.787 5.257 4.470 -0.000 0.000 0.274 299 S C -1.478 173.065 174.600 -0.095 0.000 1.124 299 S CA -0.817 57.312 58.200 -0.118 0.000 0.869 299 S CB 1.925 65.088 63.200 -0.062 0.000 1.105 299 S HN 1.458 nan 8.310 nan 0.000 0.472 300 V N 1.834 121.822 119.914 0.124 0.000 2.971 300 V HA 0.888 5.008 4.120 -0.000 0.000 0.309 300 V C -2.019 174.203 176.094 0.214 0.000 1.130 300 V CA -0.787 61.669 62.300 0.260 0.000 0.964 300 V CB 1.970 34.064 31.823 0.451 0.000 1.029 300 V HN 1.115 nan 8.190 nan 0.000 0.427 301 L N 5.116 126.474 121.223 0.225 0.000 2.493 301 L HA 0.636 4.976 4.340 -0.000 0.000 0.265 301 L C -0.484 176.505 176.870 0.199 0.000 0.954 301 L CA -0.396 54.562 54.840 0.196 0.000 0.844 301 L CB 1.913 44.086 42.059 0.189 0.000 1.302 301 L HN 0.786 nan 8.230 nan 0.000 0.405 302 R N 3.150 123.747 120.500 0.161 0.000 2.291 302 R HA 0.096 4.436 4.340 -0.000 0.000 0.333 302 R C -0.253 176.135 176.300 0.148 0.000 1.082 302 R CA 0.108 56.291 56.100 0.138 0.000 0.948 302 R CB 0.285 30.645 30.300 0.100 0.000 1.009 302 R HN 0.827 nan 8.270 nan 0.000 0.460 303 Y N 4.899 125.238 120.300 0.065 0.000 2.231 303 Y HA 0.008 4.558 4.550 -0.000 0.000 0.294 303 Y C 0.111 176.055 175.900 0.073 0.000 1.120 303 Y CA 1.386 59.526 58.100 0.067 0.000 1.141 303 Y CB 0.458 38.962 38.460 0.073 0.000 1.022 303 Y HN 0.717 nan 8.280 nan 0.000 0.523 304 N N -1.639 117.159 118.700 0.164 0.000 2.859 304 N HA 0.077 4.817 4.740 -0.000 0.000 0.250 304 N C -0.499 175.075 175.510 0.108 0.000 1.341 304 N CA 0.259 53.368 53.050 0.098 0.000 0.881 304 N CB 1.065 39.658 38.487 0.178 0.000 1.516 304 N HN 0.079 nan 8.380 nan 0.000 0.503 305 S N -1.623 114.123 115.700 0.077 0.000 2.520 305 S HA 0.072 4.542 4.470 -0.000 0.000 0.219 305 S C 0.082 174.722 174.600 0.067 0.000 1.028 305 S CA 0.011 58.250 58.200 0.065 0.000 0.921 305 S CB -0.398 62.830 63.200 0.047 0.000 0.844 305 S HN 0.723 nan 8.310 nan 0.000 0.495 306 D N 2.671 123.116 120.400 0.074 0.000 2.360 306 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 306 D C 0.192 176.541 176.300 0.082 0.000 1.184 306 D CA -0.354 53.687 54.000 0.068 0.000 0.930 306 D CB 0.415 41.252 40.800 0.062 0.000 1.161 306 D HN 0.294 nan 8.370 nan 0.000 0.447 307 A N 1.077 123.936 122.820 0.065 0.000 2.520 307 A HA 0.405 4.725 4.320 -0.000 0.000 0.245 307 A C -1.993 175.642 177.584 0.085 0.000 1.072 307 A CA -0.817 51.260 52.037 0.067 0.000 0.761 307 A CB -0.643 18.381 19.000 0.040 0.000 1.004 307 A HN 0.563 nan 8.150 nan 0.000 0.499 308 P HA 0.466 nan 4.420 nan 0.000 0.292 308 P C -0.312 177.106 177.300 0.197 0.000 1.287 308 P CA -0.235 62.952 63.100 0.145 0.000 0.800 308 P CB 1.370 33.163 31.700 0.155 0.000 0.945 309 A N 4.970 127.883 122.820 0.155 0.000 2.462 309 A HA 0.343 4.663 4.320 -0.000 0.000 0.243 309 A C 0.248 177.901 177.584 0.115 0.000 1.076 309 A CA -0.055 52.058 52.037 0.127 0.000 0.773 309 A CB -0.083 18.963 19.000 0.077 0.000 1.010 309 A HN 0.547 nan 8.150 nan 0.000 0.493 310 R N 1.025 121.579 120.500 0.090 0.000 2.621 310 R HA 0.535 4.875 4.340 -0.000 0.000 0.284 310 R C -1.245 175.072 176.300 0.028 0.000 0.998 310 R CA -0.503 55.582 56.100 -0.025 0.000 0.895 310 R CB 2.339 32.624 30.300 -0.024 0.000 1.195 310 R HN 0.670 nan 8.270 nan 0.000 0.450 311 T N 3.682 118.201 114.554 -0.058 0.000 2.824 311 T HA 0.484 4.834 4.350 -0.000 0.000 0.280 311 T C 0.024 174.848 174.700 0.208 0.000 0.995 311 T CA -0.637 61.503 62.100 0.067 0.000 1.009 311 T CB 0.968 69.828 68.868 -0.014 0.000 0.955 311 T HN 0.232 nan 8.240 nan 0.000 0.452 312 I N 3.028 123.771 120.570 0.288 0.000 2.460 312 I HA 0.565 4.735 4.170 -0.000 0.000 0.298 312 I C -0.520 175.815 176.117 0.364 0.000 0.989 312 I CA -1.098 60.390 61.300 0.313 0.000 1.173 312 I CB 1.240 39.367 38.000 0.211 0.000 1.338 312 I HN 0.584 nan 8.210 nan 0.000 0.456 313 F N 6.718 126.706 119.950 0.062 0.000 2.576 313 F HA 0.735 5.262 4.527 -0.000 0.000 0.313 313 F C -1.622 174.120 175.800 -0.097 0.000 1.078 313 F CA -1.000 56.901 58.000 -0.165 0.000 0.921 313 F CB 1.867 40.401 39.000 -0.776 0.000 1.232 313 F HN 0.278 nan 8.300 nan 0.000 0.459 314 L N 6.789 127.410 121.223 -1.003 0.000 2.470 314 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 314 L C -1.585 174.769 176.870 -0.861 0.000 0.964 314 L CA -0.213 54.246 54.840 -0.635 0.000 0.839 314 L CB 1.541 43.450 42.059 -0.251 0.000 1.276 314 L HN 0.854 nan 8.230 nan 0.000 0.403 315 N N 1.643 120.042 118.700 -0.502 0.000 3.308 315 N HA 0.288 5.027 4.740 -0.000 0.000 0.276 315 N C -1.711 173.723 175.510 -0.127 0.000 1.533 315 N CA -0.567 52.310 53.050 -0.289 0.000 0.878 315 N CB 1.382 39.754 38.487 -0.192 0.000 1.566 315 N HN 0.357 nan 8.380 nan 0.000 0.546 316 S N -0.655 115.001 115.700 -0.073 0.000 2.422 316 S HA 0.561 5.031 4.470 -0.000 0.000 0.283 316 S C -0.032 174.544 174.600 -0.040 0.000 1.163 316 S CA -0.365 57.804 58.200 -0.051 0.000 1.054 316 S CB -0.854 62.322 63.200 -0.039 0.000 0.967 316 S HN 0.750 nan 8.310 nan 0.000 0.499 317 A N 4.703 127.494 122.820 -0.049 0.000 3.037 317 A HA 0.534 4.854 4.320 -0.000 0.000 0.272 317 A C 0.403 177.954 177.584 -0.055 0.000 1.723 317 A CA -0.316 51.695 52.037 -0.044 0.000 1.413 317 A CB -0.574 18.378 19.000 -0.080 0.000 1.112 317 A HN 0.694 nan 8.150 nan 0.000 0.606 318 S N -0.207 115.455 115.700 -0.064 0.000 2.537 318 S HA 0.535 5.005 4.470 -0.000 0.000 0.271 318 S C 0.890 175.420 174.600 -0.117 0.000 1.148 318 S CA 0.186 58.339 58.200 -0.078 0.000 0.868 318 S CB 1.148 64.310 63.200 -0.064 0.000 1.115 318 S HN 0.843 nan 8.310 nan 0.000 0.461 319 G N 1.061 109.772 108.800 -0.149 0.000 2.744 319 G HA2 0.130 4.090 3.960 -0.000 0.000 0.211 319 G HA3 0.130 4.090 3.960 -0.000 0.000 0.211 319 G C 0.977 175.806 174.900 -0.119 0.000 1.143 319 G CA 1.142 46.127 45.100 -0.192 0.000 0.788 319 G HN 0.992 nan 8.290 nan 0.000 0.534 320 T N -4.472 110.030 114.554 -0.086 0.000 3.048 320 T HA 0.338 4.688 4.350 -0.000 0.000 0.254 320 T C 0.866 175.533 174.700 -0.054 0.000 0.942 320 T CA 0.533 62.596 62.100 -0.062 0.000 0.931 320 T CB 0.617 69.454 68.868 -0.052 0.000 1.220 320 T HN 0.110 nan 8.240 nan 0.000 0.503 321 S N 0.115 115.779 115.700 -0.060 0.000 2.532 321 S HA 0.543 5.013 4.470 -0.000 0.000 0.301 321 S C 0.409 174.976 174.600 -0.055 0.000 1.083 321 S CA -0.843 57.318 58.200 -0.064 0.000 1.025 321 S CB 1.596 64.750 63.200 -0.076 0.000 1.056 321 S HN 0.328 nan 8.310 nan 0.000 0.494 322 R N 1.740 122.210 120.500 -0.051 0.000 2.310 322 R HA 0.207 4.547 4.340 -0.000 0.000 0.202 322 R C 0.719 176.995 176.300 -0.040 0.000 0.933 322 R CA 0.301 56.384 56.100 -0.029 0.000 1.054 322 R CB 0.116 30.419 30.300 0.004 0.000 0.985 322 R HN 0.487 nan 8.270 nan 0.000 0.489 323 R N 0.359 120.819 120.500 -0.066 0.000 2.721 323 R HA 0.229 4.569 4.340 -0.000 0.000 0.296 323 R C 0.054 176.324 176.300 -0.050 0.000 1.174 323 R CA -0.071 55.991 56.100 -0.064 0.000 1.129 323 R CB 1.048 31.285 30.300 -0.103 0.000 1.316 323 R HN -0.006 nan 8.270 nan 0.000 0.571 324 A N 0.861 123.653 122.820 -0.047 0.000 2.812 324 A HA 0.275 4.595 4.320 -0.000 0.000 0.294 324 A C 0.052 177.604 177.584 -0.053 0.000 1.014 324 A CA -0.583 51.426 52.037 -0.047 0.000 1.024 324 A CB 0.274 19.244 19.000 -0.050 0.000 1.162 324 A HN 0.102 nan 8.150 nan 0.000 0.511 325 M N 0.603 120.175 119.600 -0.045 0.000 2.260 325 M HA 0.190 4.670 4.480 -0.000 0.000 0.348 325 M C 0.325 176.586 176.300 -0.065 0.000 1.342 325 M CA 0.825 56.093 55.300 -0.052 0.000 1.040 325 M CB -0.411 32.168 32.600 -0.034 0.000 1.810 325 M HN 0.511 nan 8.290 nan 0.000 0.453 326 R N 1.902 122.350 120.500 -0.086 0.000 2.533 326 R HA 0.613 4.953 4.340 -0.000 0.000 0.288 326 R C -1.929 174.321 176.300 -0.083 0.000 1.039 326 R CA -0.514 55.522 56.100 -0.107 0.000 0.909 326 R CB 1.662 31.862 30.300 -0.166 0.000 1.195 326 R HN 0.563 nan 8.270 nan 0.000 0.438 327 V N 5.180 125.067 119.914 -0.046 0.000 2.481 327 V HA 0.683 4.803 4.120 -0.000 0.000 0.286 327 V C -0.684 175.440 176.094 0.050 0.000 1.042 327 V CA -0.281 62.034 62.300 0.025 0.000 0.928 327 V CB 1.241 33.136 31.823 0.120 0.000 0.986 327 V HN 0.832 nan 8.190 nan 0.000 0.462 328 R N 5.262 125.832 120.500 0.118 0.000 2.808 328 R HA 0.679 5.019 4.340 -0.000 0.000 0.272 328 R C -1.524 174.960 176.300 0.307 0.000 0.995 328 R CA -0.830 55.387 56.100 0.196 0.000 0.917 328 R CB 2.423 32.862 30.300 0.231 0.000 1.217 328 R HN 0.608 nan 8.270 nan 0.000 0.471 329 I N 0.259 120.979 120.570 0.250 0.000 2.509 329 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 329 I C -0.362 175.650 176.117 -0.176 0.000 1.020 329 I CA -0.561 60.759 61.300 0.034 0.000 1.088 329 I CB 2.244 40.109 38.000 -0.225 0.000 1.267 329 I HN 0.401 nan 8.210 nan 0.000 0.430 330 S N 3.915 119.296 115.700 -0.532 0.000 2.473 330 S HA 0.462 4.931 4.470 -0.000 0.000 0.307 330 S C -0.141 174.078 174.600 -0.636 0.000 1.094 330 S CA -0.371 57.335 58.200 -0.824 0.000 1.070 330 S CB 0.611 62.897 63.200 -1.524 0.000 1.019 330 S HN 0.469 nan 8.310 nan 0.000 0.480 331 Y N 1.369 121.549 120.300 -0.199 0.000 2.457 331 Y HA 0.298 4.848 4.550 -0.000 0.000 0.263 331 Y C 0.528 176.353 175.900 -0.126 0.000 1.164 331 Y CA -0.609 57.421 58.100 -0.117 0.000 1.274 331 Y CB 0.159 38.579 38.460 -0.067 0.000 1.097 331 Y HN 0.477 nan 8.280 nan 0.000 0.523 332 D N 0.076 120.425 120.400 -0.085 0.000 2.341 332 D HA 0.188 4.828 4.640 -0.000 0.000 0.245 332 D C 1.153 177.397 176.300 -0.093 0.000 1.106 332 D CA 0.274 54.224 54.000 -0.083 0.000 0.905 332 D CB 1.702 42.427 40.800 -0.125 0.000 1.202 332 D HN 0.221 nan 8.370 nan 0.000 0.426 333 A N 2.139 124.928 122.820 -0.052 0.000 2.067 333 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 333 A C 1.093 178.641 177.584 -0.060 0.000 1.158 333 A CA 1.244 53.255 52.037 -0.043 0.000 0.661 333 A CB -0.083 18.904 19.000 -0.022 0.000 0.801 333 A HN 0.572 nan 8.150 nan 0.000 0.452 334 D N -2.441 117.917 120.400 -0.071 0.000 2.479 334 D HA 0.400 5.040 4.640 -0.000 0.000 0.218 334 D C 0.566 176.797 176.300 -0.114 0.000 1.177 334 D CA 0.358 54.325 54.000 -0.056 0.000 0.830 334 D CB -0.555 40.237 40.800 -0.012 0.000 1.014 334 D HN 0.807 nan 8.370 nan 0.000 0.503 335 A N 1.031 123.711 122.820 -0.233 0.000 2.704 335 A HA -0.344 3.976 4.320 -0.000 0.000 0.299 335 A C 1.526 178.994 177.584 -0.194 0.000 1.507 335 A CA 1.375 53.169 52.037 -0.406 0.000 0.776 335 A CB -2.476 16.120 19.000 -0.673 0.000 1.027 335 A HN 0.417 nan 8.150 nan 0.000 0.475 336 K N -0.520 119.816 120.400 -0.106 0.000 2.026 336 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 336 K C 0.580 177.184 176.600 0.007 0.000 1.048 336 K CA 1.689 57.973 56.287 -0.005 0.000 0.929 336 K CB -0.091 32.404 32.500 -0.010 0.000 0.713 336 K HN 0.687 nan 8.250 nan 0.000 0.439 337 K N 0.064 120.412 120.400 -0.087 0.000 2.427 337 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 337 K C -1.295 175.207 176.600 -0.164 0.000 0.931 337 K CA -0.706 55.570 56.287 -0.019 0.000 0.793 337 K CB 1.632 34.140 32.500 0.013 0.000 1.211 337 K HN -0.133 nan 8.250 nan 0.000 0.426 338 F N 1.745 121.698 119.950 0.006 0.000 2.432 338 F HA 0.241 4.768 4.527 -0.000 0.000 0.329 338 F C 1.063 176.893 175.800 0.050 0.000 1.076 338 F CA -0.678 57.329 58.000 0.012 0.000 1.018 338 F CB 0.942 39.949 39.000 0.011 0.000 1.201 338 F HN 0.574 nan 8.300 nan 0.000 0.489 339 N N 0.901 119.739 118.700 0.230 0.000 2.294 339 N HA -0.069 4.671 4.740 -0.000 0.000 0.248 339 N C 0.759 176.399 175.510 0.216 0.000 1.300 339 N CA -0.302 52.872 53.050 0.207 0.000 0.925 339 N CB -0.228 38.378 38.487 0.197 0.000 1.188 339 N HN 0.726 nan 8.380 nan 0.000 0.512 340 Y N -0.165 120.187 120.300 0.086 0.000 2.165 340 Y HA -0.070 4.480 4.550 -0.000 0.000 0.286 340 Y C 1.602 177.529 175.900 0.045 0.000 1.155 340 Y CA 2.412 60.546 58.100 0.057 0.000 1.164 340 Y CB -0.724 37.748 38.460 0.020 0.000 0.978 340 Y HN 0.930 nan 8.280 nan 0.000 0.513 341 G N 0.339 109.247 108.800 0.181 0.000 2.498 341 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.251 341 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.251 341 G C -0.504 174.421 174.900 0.042 0.000 1.170 341 G CA 0.220 45.360 45.100 0.067 0.000 0.944 341 G HN 0.648 nan 8.290 nan 0.000 0.567 342 R N 0.083 120.525 120.500 -0.097 0.000 2.584 342 R HA 0.509 4.848 4.340 -0.000 0.000 0.276 342 R C -0.491 175.725 176.300 -0.139 0.000 1.046 342 R CA -0.796 55.192 56.100 -0.186 0.000 0.906 342 R CB 1.118 31.066 30.300 -0.586 0.000 1.215 342 R HN 0.568 nan 8.270 nan 0.000 0.449 343 K N 4.045 124.395 120.400 -0.083 0.000 2.368 343 K HA 0.105 4.425 4.320 -0.000 0.000 0.282 343 K C 0.986 177.608 176.600 0.038 0.000 1.035 343 K CA -0.077 56.188 56.287 -0.036 0.000 0.973 343 K CB 0.763 33.262 32.500 -0.002 0.000 0.957 343 K HN 0.532 nan 8.250 nan 0.000 0.474 344 L N 2.752 124.001 121.223 0.044 0.000 2.191 344 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 344 L C 2.276 179.178 176.870 0.052 0.000 1.103 344 L CA 1.327 56.208 54.840 0.068 0.000 0.769 344 L CB -0.564 41.486 42.059 -0.015 0.000 0.908 344 L HN 0.754 nan 8.230 nan 0.000 0.438 345 E N -0.206 120.011 120.200 0.028 0.000 2.333 345 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 345 E C 1.019 177.637 176.600 0.030 0.000 1.007 345 E CA 1.267 57.677 56.400 0.017 0.000 0.845 345 E CB -0.247 29.458 29.700 0.008 0.000 0.766 345 E HN 0.412 nan 8.360 nan 0.000 0.507 346 D N 1.392 121.826 120.400 0.058 0.000 2.263 346 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 346 D C 0.420 176.766 176.300 0.077 0.000 0.971 346 D CA 1.392 55.426 54.000 0.056 0.000 0.867 346 D CB 0.168 40.966 40.800 -0.004 0.000 0.929 346 D HN 0.352 nan 8.370 nan 0.000 0.492 347 A N 0.436 123.293 122.820 0.061 0.000 3.204 347 A HA 0.192 4.512 4.320 -0.000 0.000 0.327 347 A C 0.222 177.773 177.584 -0.055 0.000 0.998 347 A CA -0.593 51.372 52.037 -0.120 0.000 0.891 347 A CB 0.108 18.795 19.000 -0.522 0.000 1.061 347 A HN -0.132 nan 8.150 nan 0.000 0.478 348 K N 0.613 121.008 120.400 -0.008 0.000 2.436 348 K HA 0.335 4.655 4.320 -0.000 0.000 0.275 348 K C -0.438 176.163 176.600 0.002 0.000 0.999 348 K CA 0.177 56.461 56.287 -0.006 0.000 0.980 348 K CB 0.584 33.086 32.500 0.002 0.000 0.919 348 K HN 0.280 nan 8.250 nan 0.000 0.484 349 V N 3.317 123.225 119.914 -0.011 0.000 2.481 349 V HA 0.159 4.279 4.120 -0.000 0.000 0.286 349 V C 0.002 176.087 176.094 -0.015 0.000 1.042 349 V CA -0.529 61.772 62.300 0.001 0.000 0.928 349 V CB 1.456 33.277 31.823 -0.003 0.000 0.986 349 V HN 0.940 nan 8.190 nan 0.000 0.462 350 S N 2.573 118.275 115.700 0.003 0.000 2.549 350 S HA 0.730 5.199 4.470 -0.000 0.000 0.297 350 S C 0.761 175.365 174.600 0.006 0.000 1.115 350 S CA 0.152 58.347 58.200 -0.008 0.000 1.059 350 S CB 1.552 64.757 63.200 0.008 0.000 1.046 350 S HN 2.124 nan 8.310 nan 0.000 0.506 351 G N 0.888 109.686 108.800 -0.004 0.000 2.157 351 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.248 351 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.248 351 G C 0.414 175.375 174.900 0.101 0.000 0.979 351 G CA -0.113 45.026 45.100 0.065 0.000 0.650 351 G HN 1.815 nan 8.290 nan 0.000 0.529 352 A N -0.469 122.291 122.820 -0.100 0.000 2.610 352 A HA 0.777 5.097 4.320 -0.000 0.000 0.291 352 A C 1.760 178.838 177.584 -0.843 0.000 1.116 352 A CA 1.301 53.199 52.037 -0.231 0.000 0.963 352 A CB -0.099 18.871 19.000 -0.051 0.000 1.220 352 A HN 2.490 nan 8.150 nan 0.000 0.530 353 G N -0.131 107.993 108.800 -1.126 0.000 2.681 353 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 353 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 353 G C -0.589 173.959 174.900 -0.585 0.000 1.353 353 G CA -0.435 44.000 45.100 -1.109 0.000 0.872 353 G HN 0.654 nan 8.290 nan 0.000 0.557 354 H N 1.319 120.244 119.070 -0.243 0.000 2.723 354 H HA 0.375 4.931 4.556 -0.000 0.000 0.294 354 H C 0.765 176.017 175.328 -0.127 0.000 1.079 354 H CA 0.149 56.105 56.048 -0.152 0.000 1.411 354 H CB 1.020 30.693 29.762 -0.149 0.000 1.439 354 H HN 0.657 nan 8.280 nan 0.000 0.474 355 E N 2.327 122.519 120.200 -0.013 0.000 2.384 355 E HA 0.345 4.695 4.350 -0.000 0.000 0.266 355 E C -0.093 176.508 176.600 0.002 0.000 1.012 355 E CA -0.231 56.161 56.400 -0.014 0.000 0.901 355 E CB 0.520 30.206 29.700 -0.023 0.000 0.967 355 E HN 0.957 nan 8.360 nan 0.000 0.435 356 G N 1.626 110.432 108.800 0.011 0.000 2.326 356 G HA2 0.437 4.397 3.960 -0.000 0.000 0.299 356 G HA3 0.437 4.397 3.960 -0.000 0.000 0.299 356 G C -0.287 174.638 174.900 0.042 0.000 1.643 356 G CA -0.290 44.817 45.100 0.012 0.000 0.916 356 G HN 0.959 nan 8.290 nan 0.000 0.700 357 G N 0.328 109.168 108.800 0.067 0.000 2.366 357 G HA2 0.483 4.443 3.960 -0.000 0.000 0.190 357 G HA3 0.483 4.443 3.960 -0.000 0.000 0.190 357 G C -0.792 174.237 174.900 0.214 0.000 1.299 357 G CA -0.284 44.907 45.100 0.152 0.000 1.056 357 G HN 1.232 nan 8.290 nan 0.000 0.468 358 Y N 1.552 121.854 120.300 0.004 0.000 2.511 358 Y HA 0.507 5.057 4.550 -0.000 0.000 0.347 358 Y C 1.329 177.229 175.900 0.000 0.000 1.257 358 Y CA 0.051 58.152 58.100 0.002 0.000 1.469 358 Y CB 1.086 39.555 38.460 0.015 0.000 1.353 358 Y HN 0.956 nan 8.280 nan 0.000 0.617 359 S N -0.227 115.543 115.700 0.118 0.000 2.638 359 S HA 0.795 5.265 4.470 -0.000 0.000 0.274 359 S C -0.947 173.695 174.600 0.069 0.000 1.157 359 S CA -0.841 57.403 58.200 0.072 0.000 0.826 359 S CB 2.131 65.332 63.200 0.002 0.000 1.139 359 S HN 0.598 nan 8.310 nan 0.000 0.474 360 S N 0.359 116.115 115.700 0.093 0.000 2.533 360 S HA 0.707 5.176 4.470 -0.000 0.000 0.271 360 S C -1.491 173.187 174.600 0.131 0.000 1.143 360 S CA -0.711 57.559 58.200 0.115 0.000 0.891 360 S CB 1.010 64.306 63.200 0.159 0.000 1.105 360 S HN 0.776 nan 8.310 nan 0.000 0.468 361 M N 2.506 122.179 119.600 0.122 0.000 2.530 361 M HA 0.538 5.018 4.480 -0.000 0.000 0.307 361 M C -0.448 175.942 176.300 0.150 0.000 1.161 361 M CA -0.623 54.748 55.300 0.119 0.000 0.903 361 M CB 2.433 35.083 32.600 0.082 0.000 1.711 361 M HN 0.651 nan 8.290 nan 0.000 0.451 362 T N 0.625 115.272 114.554 0.154 0.000 2.865 362 T HA 0.446 4.796 4.350 -0.000 0.000 0.294 362 T C -1.695 173.067 174.700 0.103 0.000 1.119 362 T CA -0.796 61.394 62.100 0.149 0.000 1.007 362 T CB 2.034 71.020 68.868 0.197 0.000 1.225 362 T HN 0.689 nan 8.240 nan 0.000 0.515 363 K N 2.221 122.654 120.400 0.055 0.000 2.211 363 K HA 0.505 4.825 4.320 -0.000 0.000 0.275 363 K C 0.356 176.925 176.600 -0.052 0.000 1.024 363 K CA -0.539 55.736 56.287 -0.020 0.000 0.887 363 K CB 0.782 33.167 32.500 -0.191 0.000 1.084 363 K HN 0.793 nan 8.250 nan 0.000 0.463 364 T N 0.800 115.332 114.554 -0.037 0.000 2.816 364 T HA 0.201 4.551 4.350 -0.000 0.000 0.282 364 T C 1.423 176.025 174.700 -0.163 0.000 0.993 364 T CA -0.342 61.743 62.100 -0.026 0.000 0.994 364 T CB 1.369 70.264 68.868 0.046 0.000 1.025 364 T HN 0.643 nan 8.240 nan 0.000 0.529 365 G N 0.559 109.287 108.800 -0.120 0.000 2.448 365 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 365 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 365 G C 0.915 175.732 174.900 -0.137 0.000 1.127 365 G CA 0.767 45.769 45.100 -0.164 0.000 0.766 365 G HN 0.959 nan 8.290 nan 0.000 0.552 366 D N -1.441 118.933 120.400 -0.042 0.000 2.491 366 D HA 0.049 4.689 4.640 -0.000 0.000 0.228 366 D C -0.297 176.115 176.300 0.187 0.000 1.183 366 D CA -1.211 52.845 54.000 0.094 0.000 0.827 366 D CB -0.756 40.062 40.800 0.030 0.000 0.989 366 D HN 0.374 nan 8.370 nan 0.000 0.494 367 Y N -0.217 120.074 120.300 -0.015 0.000 3.125 367 Y HA -0.271 4.279 4.550 -0.000 0.000 0.200 367 Y C 0.177 176.125 175.900 0.081 0.000 1.373 367 Y CA 0.381 58.502 58.100 0.035 0.000 1.180 367 Y CB -1.631 36.858 38.460 0.048 0.000 1.381 367 Y HN 0.086 nan 8.280 nan 0.000 0.501 368 K N 0.315 120.771 120.400 0.093 0.000 2.295 368 K HA 0.664 4.984 4.320 -0.000 0.000 0.239 368 K C 0.132 176.744 176.600 0.020 0.000 0.991 368 K CA -1.090 55.212 56.287 0.025 0.000 0.845 368 K CB 1.922 34.354 32.500 -0.113 0.000 1.197 368 K HN 0.156 nan 8.250 nan 0.000 0.441 369 I N 1.127 121.599 120.570 -0.163 0.000 2.416 369 I HA 0.177 4.347 4.170 -0.000 0.000 0.288 369 I C 0.748 176.490 176.117 -0.625 0.000 1.051 369 I CA -0.082 61.019 61.300 -0.333 0.000 1.375 369 I CB 1.162 38.846 38.000 -0.526 0.000 1.407 369 I HN 0.538 nan 8.210 nan 0.000 0.516 370 G N 5.057 113.640 108.800 -0.361 0.000 2.370 370 G HA2 0.704 4.664 3.960 -0.000 0.000 0.317 370 G HA3 0.704 4.664 3.960 -0.000 0.000 0.317 370 G C -0.917 173.783 174.900 -0.334 0.000 1.162 370 G CA -0.377 44.396 45.100 -0.544 0.000 0.922 370 G HN 0.748 nan 8.290 nan 0.000 0.454 371 A N 2.961 125.469 122.820 -0.520 0.000 2.356 371 A HA 0.763 5.083 4.320 -0.000 0.000 0.310 371 A C -0.482 177.141 177.584 0.065 0.000 1.075 371 A CA -0.577 51.400 52.037 -0.101 0.000 0.746 371 A CB 1.201 20.181 19.000 -0.034 0.000 1.221 371 A HN 0.671 nan 8.150 nan 0.000 0.443 372 L N 2.355 123.715 121.223 0.228 0.000 2.307 372 L HA 0.657 4.997 4.340 -0.000 0.000 0.282 372 L C -0.816 176.130 176.870 0.128 0.000 1.051 372 L CA -0.757 54.219 54.840 0.226 0.000 0.804 372 L CB 1.651 43.855 42.059 0.241 0.000 1.197 372 L HN 0.447 nan 8.230 nan 0.000 0.431 373 V N 2.299 122.272 119.914 0.099 0.000 2.623 373 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 373 V C -0.175 175.963 176.094 0.073 0.000 1.054 373 V CA -0.956 61.388 62.300 0.073 0.000 0.882 373 V CB 1.902 33.749 31.823 0.041 0.000 1.002 373 V HN 0.695 nan 8.190 nan 0.000 0.424 374 E N 1.516 121.765 120.200 0.082 0.000 2.418 374 E HA 0.401 4.751 4.350 -0.000 0.000 0.261 374 E C -0.172 176.462 176.600 0.056 0.000 1.070 374 E CA 0.165 56.609 56.400 0.074 0.000 0.931 374 E CB 1.055 30.800 29.700 0.074 0.000 0.954 374 E HN 0.624 nan 8.360 nan 0.000 0.439 375 S N 0.755 116.489 115.700 0.057 0.000 2.595 375 S HA 0.302 4.772 4.470 -0.000 0.000 0.281 375 S C -1.853 172.780 174.600 0.055 0.000 1.117 375 S CA -0.814 57.395 58.200 0.015 0.000 0.873 375 S CB 1.661 64.825 63.200 -0.060 0.000 1.108 375 S HN 0.478 nan 8.310 nan 0.000 0.477 376 D N 1.574 122.002 120.400 0.046 0.000 2.686 376 D HA 0.360 5.000 4.640 -0.000 0.000 0.249 376 D C 0.001 176.429 176.300 0.214 0.000 1.260 376 D CA -0.515 53.599 54.000 0.191 0.000 0.910 376 D CB 0.726 41.670 40.800 0.239 0.000 1.323 376 D HN 0.391 nan 8.370 nan 0.000 0.561 377 F N 2.429 122.545 119.950 0.276 0.000 2.293 377 F HA 0.065 4.592 4.527 -0.000 0.000 0.300 377 F C 1.514 177.570 175.800 0.426 0.000 1.086 377 F CA 0.414 58.577 58.000 0.272 0.000 1.375 377 F CB -0.197 38.941 39.000 0.231 0.000 1.045 377 F HN 0.469 nan 8.300 nan 0.000 0.516 378 F N 1.190 121.351 119.950 0.350 0.000 3.034 378 F HA -0.347 4.180 4.527 -0.000 0.000 0.286 378 F C 1.404 177.327 175.800 0.205 0.000 0.804 378 F CA 0.441 58.580 58.000 0.231 0.000 1.161 378 F CB -1.707 37.414 39.000 0.200 0.000 1.317 378 F HN 0.266 nan 8.300 nan 0.000 0.453 379 N N 0.258 119.104 118.700 0.243 0.000 2.520 379 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 379 N C 1.058 176.567 175.510 -0.002 0.000 1.068 379 N CA 1.431 54.571 53.050 0.150 0.000 0.911 379 N CB -0.073 38.545 38.487 0.219 0.000 0.961 379 N HN 0.622 nan 8.380 nan 0.000 0.446 380 D N -0.602 119.723 120.400 -0.125 0.000 2.673 380 D HA 0.252 4.892 4.640 -0.000 0.000 0.278 380 D C 0.987 177.065 176.300 -0.371 0.000 1.393 380 D CA 0.283 54.173 54.000 -0.183 0.000 0.805 380 D CB 0.204 40.923 40.800 -0.135 0.000 1.110 380 D HN 0.303 nan 8.370 nan 0.000 0.476 381 G N 0.688 109.046 108.800 -0.737 0.000 2.611 381 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.301 381 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.301 381 G C 1.223 175.468 174.900 -1.092 0.000 1.233 381 G CA 1.147 45.364 45.100 -1.473 0.000 0.993 381 G HN 0.597 nan 8.290 nan 0.000 0.553 382 T N 0.075 114.345 114.554 -0.473 0.000 3.160 382 T HA 0.460 4.809 4.350 -0.000 0.000 0.257 382 T C 1.437 176.070 174.700 -0.113 0.000 1.147 382 T CA 1.279 63.309 62.100 -0.117 0.000 1.064 382 T CB -0.265 68.612 68.868 0.015 0.000 0.949 382 T HN 1.734 nan 8.240 nan 0.000 0.526 383 G N 1.565 110.263 108.800 -0.171 0.000 2.616 383 G HA2 0.356 4.316 3.960 -0.000 0.000 0.268 383 G HA3 0.356 4.316 3.960 -0.000 0.000 0.268 383 G C 0.766 175.586 174.900 -0.134 0.000 1.213 383 G CA -0.526 44.496 45.100 -0.129 0.000 0.926 383 G HN 0.475 nan 8.290 nan 0.000 0.523 384 K N -1.001 119.314 120.400 -0.142 0.000 2.362 384 K HA -0.029 4.291 4.320 -0.000 0.000 0.200 384 K C 1.312 177.744 176.600 -0.280 0.000 1.046 384 K CA 1.278 57.444 56.287 -0.201 0.000 0.952 384 K CB 0.044 32.424 32.500 -0.200 0.000 0.753 384 K HN 0.319 nan 8.250 nan 0.000 0.466 385 N N 0.855 119.426 118.700 -0.215 0.000 2.280 385 N HA 0.043 4.783 4.740 -0.000 0.000 0.192 385 N C -0.809 174.600 175.510 -0.169 0.000 1.109 385 N CA -0.143 52.778 53.050 -0.215 0.000 0.855 385 N CB 0.465 38.863 38.487 -0.149 0.000 0.974 385 N HN 0.047 nan 8.380 nan 0.000 0.482 386 S N 1.121 116.769 115.700 -0.087 0.000 2.481 386 S HA 0.071 4.541 4.470 -0.000 0.000 0.282 386 S C -0.625 174.041 174.600 0.110 0.000 1.243 386 S CA -0.217 57.992 58.200 0.015 0.000 1.078 386 S CB -0.250 62.977 63.200 0.044 0.000 0.916 386 S HN 0.187 nan 8.310 nan 0.000 0.495 387 Y N 3.100 123.505 120.300 0.174 0.000 2.526 387 Y HA 0.223 4.773 4.550 -0.000 0.000 0.330 387 Y C 1.200 177.281 175.900 0.302 0.000 1.156 387 Y CA -0.023 58.104 58.100 0.046 0.000 1.419 387 Y CB 0.513 38.841 38.460 -0.220 0.000 1.250 387 Y HN 0.330 nan 8.280 nan 0.000 0.540 388 R N 2.412 123.136 120.500 0.372 0.000 2.494 388 R HA 0.808 5.148 4.340 -0.000 0.000 0.305 388 R C -0.704 175.816 176.300 0.367 0.000 0.959 388 R CA -0.952 55.343 56.100 0.324 0.000 0.864 388 R CB 1.655 32.068 30.300 0.189 0.000 1.159 388 R HN 0.740 nan 8.270 nan 0.000 0.446 389 A N 3.171 126.198 122.820 0.345 0.000 2.387 389 A HA 0.853 5.173 4.320 -0.000 0.000 0.298 389 A C -0.684 177.035 177.584 0.226 0.000 1.165 389 A CA -0.773 51.476 52.037 0.352 0.000 0.814 389 A CB 1.390 20.617 19.000 0.379 0.000 1.357 389 A HN 0.621 nan 8.150 nan 0.000 0.443 390 I N 0.716 121.418 120.570 0.220 0.000 2.466 390 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 390 I C -0.973 175.230 176.117 0.143 0.000 1.026 390 I CA -0.219 61.180 61.300 0.166 0.000 1.078 390 I CB 1.824 39.916 38.000 0.154 0.000 1.249 390 I HN 0.471 nan 8.210 nan 0.000 0.429 391 I N 5.250 125.875 120.570 0.092 0.000 2.428 391 I HA 0.225 4.395 4.170 -0.000 0.000 0.296 391 I C -0.617 175.537 176.117 0.061 0.000 0.985 391 I CA -0.336 60.989 61.300 0.043 0.000 1.260 391 I CB 1.370 39.373 38.000 0.005 0.000 1.389 391 I HN 0.586 nan 8.210 nan 0.000 0.484 392 W N 7.488 128.604 121.300 -0.307 0.000 2.478 392 W HA 0.534 5.194 4.660 -0.000 0.000 0.318 392 W C -1.169 175.108 176.519 -0.404 0.000 1.062 392 W CA -0.805 56.306 57.345 -0.390 0.000 1.210 392 W CB 1.303 30.390 29.460 -0.623 0.000 1.325 392 W HN 0.485 nan 8.180 nan 0.000 0.496 393 R N 4.632 124.643 120.500 -0.814 0.000 2.686 393 R HA 0.537 4.877 4.340 -0.000 0.000 0.286 393 R C -0.865 174.786 176.300 -1.082 0.000 0.969 393 R CA -1.073 54.598 56.100 -0.716 0.000 0.898 393 R CB 2.830 33.000 30.300 -0.216 0.000 1.183 393 R HN 0.492 nan 8.270 nan 0.000 0.456 394 R N 2.287 122.380 120.500 -0.678 0.000 2.561 394 R HA 0.511 4.851 4.340 -0.000 0.000 0.297 394 R C -1.301 174.911 176.300 -0.148 0.000 0.969 394 R CA -0.591 55.202 56.100 -0.512 0.000 0.879 394 R CB 1.372 31.565 30.300 -0.177 0.000 1.178 394 R HN 0.486 nan 8.270 nan 0.000 0.445 395 F N -0.351 119.543 119.950 -0.094 0.000 2.641 395 F HA 0.488 5.015 4.527 -0.000 0.000 0.308 395 F C -0.781 175.092 175.800 0.122 0.000 1.105 395 F CA -1.552 56.453 58.000 0.007 0.000 0.964 395 F CB 0.868 39.685 39.000 -0.306 0.000 1.294 395 F HN 0.371 nan 8.300 nan 0.000 0.442 396 N N 1.752 120.707 118.700 0.425 0.000 2.434 396 N HA 0.307 5.047 4.740 -0.000 0.000 0.266 396 N C 0.408 176.137 175.510 0.366 0.000 1.223 396 N CA -0.804 52.426 53.050 0.300 0.000 0.972 396 N CB 0.800 39.421 38.487 0.223 0.000 1.207 396 N HN 0.902 nan 8.380 nan 0.000 0.525 397 L N -0.586 120.754 121.223 0.195 0.000 2.079 397 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 397 L C 2.495 179.480 176.870 0.192 0.000 1.081 397 L CA 1.520 56.441 54.840 0.134 0.000 0.752 397 L CB -0.577 41.485 42.059 0.004 0.000 0.896 397 L HN 0.757 nan 8.230 nan 0.000 0.433 398 S N -0.553 115.271 115.700 0.207 0.000 2.370 398 S HA -0.284 4.186 4.470 -0.000 0.000 0.226 398 S C 1.769 176.497 174.600 0.214 0.000 1.033 398 S CA 1.503 59.815 58.200 0.186 0.000 1.011 398 S CB -0.475 62.837 63.200 0.186 0.000 0.852 398 S HN 0.562 nan 8.310 nan 0.000 0.457 399 W N 1.782 123.170 121.300 0.146 0.000 2.358 399 W HA -0.062 4.598 4.660 -0.000 0.000 0.303 399 W C 1.732 178.270 176.519 0.032 0.000 1.208 399 W CA 1.663 59.076 57.345 0.114 0.000 1.274 399 W CB -0.397 29.173 29.460 0.182 0.000 1.138 399 W HN 0.336 nan 8.180 nan 0.000 0.515 400 I N 0.266 120.923 120.570 0.146 0.000 2.142 400 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 400 I C 2.340 178.382 176.117 -0.125 0.000 1.078 400 I CA 1.460 62.706 61.300 -0.090 0.000 1.343 400 I CB -0.938 37.130 38.000 0.114 0.000 1.046 400 I HN -0.037 nan 8.210 nan 0.000 0.405 401 L N 0.484 121.702 121.223 -0.007 0.000 2.201 401 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 401 L C 1.736 178.581 176.870 -0.042 0.000 1.105 401 L CA 0.980 55.827 54.840 0.011 0.000 0.775 401 L CB -0.555 41.543 42.059 0.066 0.000 0.913 401 L HN 0.330 nan 8.230 nan 0.000 0.440 402 N N 0.185 118.832 118.700 -0.088 0.000 2.336 402 N HA 0.054 4.794 4.740 -0.000 0.000 0.189 402 N C 0.831 176.230 175.510 -0.186 0.000 1.113 402 N CA 0.270 53.259 53.050 -0.102 0.000 0.858 402 N CB 0.354 38.810 38.487 -0.051 0.000 0.970 402 N HN 0.226 nan 8.380 nan 0.000 0.471 403 G N 2.048 110.681 108.800 -0.277 0.000 2.606 403 G HA2 0.241 4.201 3.960 -0.000 0.000 0.252 403 G HA3 0.241 4.201 3.960 -0.000 0.000 0.252 403 G C -2.312 172.482 174.900 -0.177 0.000 1.206 403 G CA -0.632 44.291 45.100 -0.294 0.000 0.861 403 G HN 0.003 nan 8.290 nan 0.000 0.561 404 P HA 0.093 nan 4.420 nan 0.000 0.272 404 P C -0.210 176.913 177.300 -0.294 0.000 1.230 404 P CA -0.212 62.768 63.100 -0.200 0.000 0.788 404 P CB 0.631 32.208 31.700 -0.206 0.000 0.949 405 N N -1.782 116.745 118.700 -0.289 0.000 2.901 405 N HA -0.103 4.637 4.740 -0.000 0.000 0.248 405 N C -0.171 175.265 175.510 -0.123 0.000 1.044 405 N CA 0.742 53.592 53.050 -0.332 0.000 0.847 405 N CB -1.597 36.377 38.487 -0.855 0.000 1.127 405 N HN 0.528 nan 8.380 nan 0.000 0.562 406 N N 0.000 118.665 118.700 -0.058 0.000 1.763 406 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 406 N CA 0.000 53.062 53.050 0.019 0.000 0.885 406 N CB 0.000 38.514 38.487 0.045 0.000 1.341 406 N HN 0.000 nan 8.380 nan 0.000 0.667