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 2gev_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEPSPYVEFD RRQWRALRMS TPLALTEEEL VGLRGLGEQI DLLEVEEVYL DATA SEQUENCE PLARLIHLQV AARQRLFAAT AEFLGEPQQN PDRPVPFIIG VAGSVAVGKS DATA SEQUENCE TTARVLQALL ARWDHHPRVD LVTTDGFLYP NAELQRRNLM HRKGFPESYN DATA SEQUENCE RRALMRFVTS VKSGSDYAXA PVYSHLHYDI IPGAEQVVRH PDILILEGLN DATA SEQUENCE VLQTGPTLMV SDLFDFSLYV DARIEDIEQW YVSRFLAMRT TAFADPESHF DATA SEQUENCE HHYAAFSDSQ AVVAAREIWR TINRPNLVEN ILPTRPRATL VLRKDADHSI DATA SEQUENCE NRLRLRKL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.598 174.600 -0.003 0.000 1.055 5 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 5 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 6 E N 1.210 121.408 120.200 -0.002 0.000 2.321 6 E HA 0.612 4.962 4.350 -0.000 0.000 0.278 6 E C -2.765 173.834 176.600 -0.002 0.000 0.902 6 E CA -1.492 54.906 56.400 -0.002 0.000 0.758 6 E CB 1.368 31.068 29.700 0.000 0.000 1.213 6 E HN 0.553 nan 8.360 nan 0.000 0.426 7 P HA 0.257 nan 4.420 nan 0.000 0.272 7 P C -1.284 176.009 177.300 -0.011 0.000 1.223 7 P CA -0.406 62.687 63.100 -0.011 0.000 0.784 7 P CB 1.144 32.834 31.700 -0.017 0.000 0.923 8 S N 0.488 116.180 115.700 -0.015 0.000 2.588 8 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 8 S C -2.247 172.302 174.600 -0.084 0.000 1.130 8 S CA -1.243 56.945 58.200 -0.020 0.000 0.855 8 S CB 1.100 64.334 63.200 0.056 0.000 1.116 8 S HN 0.176 nan 8.310 nan 0.000 0.472 9 P HA 0.200 nan 4.420 nan 0.000 0.235 9 P C -0.896 176.192 177.300 -0.354 0.000 1.177 9 P CA 0.698 63.575 63.100 -0.372 0.000 0.785 9 P CB 0.011 31.338 31.700 -0.623 0.000 0.885 10 Y N -1.680 118.620 120.300 0.001 0.000 2.534 10 Y HA 0.551 5.101 4.550 -0.000 0.000 0.329 10 Y C 0.126 176.027 175.900 0.002 0.000 1.154 10 Y CA -1.426 56.682 58.100 0.014 0.000 1.192 10 Y CB 1.215 39.677 38.460 0.003 0.000 1.275 10 Y HN -0.426 nan 8.280 nan 0.000 0.491 11 V N 2.103 122.139 119.914 0.203 0.000 2.569 11 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 11 V C -1.081 174.976 176.094 -0.063 0.000 1.044 11 V CA -0.566 61.734 62.300 -0.000 0.000 0.874 11 V CB 1.422 33.217 31.823 -0.047 0.000 1.002 11 V HN 0.786 nan 8.190 nan 0.000 0.424 12 E N 5.519 125.618 120.200 -0.169 0.000 2.277 12 E HA 0.534 4.884 4.350 -0.000 0.000 0.274 12 E C -1.401 175.039 176.600 -0.267 0.000 1.022 12 E CA -0.043 56.303 56.400 -0.090 0.000 0.853 12 E CB 2.001 31.670 29.700 -0.052 0.000 1.086 12 E HN 0.581 nan 8.360 nan 0.000 0.397 13 F N 0.353 120.354 119.950 0.084 0.000 2.613 13 F HA 0.199 4.726 4.527 -0.001 0.000 0.314 13 F C 0.002 175.852 175.800 0.083 0.000 1.075 13 F CA -1.055 57.023 58.000 0.130 0.000 0.945 13 F CB 1.539 40.701 39.000 0.270 0.000 1.310 13 F HN 0.283 nan 8.300 nan 0.000 0.467 14 D N -0.674 119.914 120.400 0.315 0.000 2.392 14 D HA 0.358 4.998 4.640 -0.000 0.000 0.246 14 D C 0.817 177.255 176.300 0.229 0.000 1.013 14 D CA -0.889 53.227 54.000 0.193 0.000 0.993 14 D CB 1.036 41.916 40.800 0.133 0.000 1.219 14 D HN 0.468 nan 8.370 nan 0.000 0.538 15 R N -0.355 120.241 120.500 0.160 0.000 2.096 15 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 15 R C 2.045 178.467 176.300 0.203 0.000 1.127 15 R CA 1.151 57.359 56.100 0.180 0.000 0.968 15 R CB -0.064 30.311 30.300 0.124 0.000 0.861 15 R HN 0.547 nan 8.270 nan 0.000 0.440 16 R N 0.451 121.047 120.500 0.161 0.000 2.091 16 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 16 R C 2.191 178.588 176.300 0.162 0.000 1.136 16 R CA 2.046 58.228 56.100 0.136 0.000 0.959 16 R CB -0.036 30.327 30.300 0.104 0.000 0.856 16 R HN 0.379 nan 8.270 nan 0.000 0.437 17 Q N -0.820 119.113 119.800 0.221 0.000 2.049 17 Q HA -0.204 4.136 4.340 -0.000 0.000 0.198 17 Q C 1.890 178.060 176.000 0.284 0.000 0.971 17 Q CA 1.400 57.366 55.803 0.271 0.000 0.833 17 Q CB -0.340 28.622 28.738 0.374 0.000 0.896 17 Q HN 0.525 nan 8.270 nan 0.000 0.434 18 W N 3.119 124.485 121.300 0.109 0.000 2.388 18 W HA -0.163 4.497 4.660 0.000 0.000 0.294 18 W C 1.888 178.376 176.519 -0.051 0.000 1.212 18 W CA 1.738 59.028 57.345 -0.092 0.000 1.271 18 W CB -0.006 29.349 29.460 -0.174 0.000 1.126 18 W HN 0.129 nan 8.180 nan 0.000 0.535 19 R N 0.760 121.354 120.500 0.157 0.000 2.152 19 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 19 R C 2.130 178.412 176.300 -0.030 0.000 1.117 19 R CA 1.682 57.827 56.100 0.073 0.000 0.981 19 R CB -1.227 29.148 30.300 0.125 0.000 0.870 19 R HN -0.011 nan 8.270 nan 0.000 0.451 20 A N 1.400 124.206 122.820 -0.023 0.000 2.015 20 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 20 A C 1.780 179.305 177.584 -0.098 0.000 1.163 20 A CA 0.740 52.758 52.037 -0.032 0.000 0.646 20 A CB -0.157 18.848 19.000 0.008 0.000 0.806 20 A HN 0.235 nan 8.150 nan 0.000 0.448 21 L N -0.171 120.921 121.223 -0.219 0.000 2.675 21 L HA 0.066 4.406 4.340 -0.000 0.000 0.238 21 L C 2.147 178.855 176.870 -0.270 0.000 1.155 21 L CA 1.015 55.671 54.840 -0.306 0.000 0.881 21 L CB -1.035 40.669 42.059 -0.592 0.000 1.008 21 L HN 0.513 nan 8.230 nan 0.000 0.443 22 R N -0.764 119.629 120.500 -0.178 0.000 2.093 22 R HA -0.066 4.274 4.340 -0.000 0.000 0.224 22 R C 0.827 177.100 176.300 -0.045 0.000 1.101 22 R CA 0.577 56.622 56.100 -0.093 0.000 0.979 22 R CB 0.212 30.491 30.300 -0.034 0.000 0.877 22 R HN 0.099 nan 8.270 nan 0.000 0.441 23 M N -1.221 118.352 119.600 -0.045 0.000 7.319 23 M HA -0.278 4.202 4.480 -0.000 0.000 0.305 23 M C 1.187 177.478 176.300 -0.015 0.000 0.480 23 M CA 2.004 57.289 55.300 -0.025 0.000 1.311 23 M CB -1.989 30.599 32.600 -0.019 0.000 0.421 23 M HN 0.180 nan 8.290 nan 0.000 0.680 24 S N -0.108 115.585 115.700 -0.011 0.000 2.548 24 S HA 0.092 4.562 4.470 -0.000 0.000 0.215 24 S C -0.040 174.541 174.600 -0.033 0.000 0.976 24 S CA 0.600 58.788 58.200 -0.021 0.000 0.908 24 S CB -0.191 62.993 63.200 -0.026 0.000 0.781 24 S HN 0.652 nan 8.310 nan 0.000 0.519 25 T N 5.043 119.590 114.554 -0.013 0.000 2.525 25 T HA -0.019 4.330 4.350 -0.000 0.000 0.239 25 T C -2.432 172.223 174.700 -0.075 0.000 1.047 25 T CA -0.303 61.778 62.100 -0.031 0.000 1.215 25 T CB -0.270 68.642 68.868 0.074 0.000 1.025 25 T HN 0.184 nan 8.240 nan 0.000 0.487 26 P HA 0.217 nan 4.420 nan 0.000 0.272 26 P C -0.292 176.946 177.300 -0.103 0.000 1.230 26 P CA -0.614 62.404 63.100 -0.137 0.000 0.788 26 P CB 0.562 32.145 31.700 -0.195 0.000 0.949 27 L N 1.916 123.101 121.223 -0.064 0.000 2.283 27 L HA 0.490 4.829 4.340 -0.000 0.000 0.281 27 L C 0.167 177.012 176.870 -0.043 0.000 1.033 27 L CA -0.519 54.301 54.840 -0.033 0.000 0.848 27 L CB 0.402 42.453 42.059 -0.013 0.000 1.226 27 L HN 0.394 nan 8.230 nan 0.000 0.429 28 A N 5.528 128.321 122.820 -0.045 0.000 2.833 28 A HA 0.385 4.705 4.320 -0.000 0.000 0.293 28 A C -0.534 177.035 177.584 -0.024 0.000 1.338 28 A CA -0.204 51.809 52.037 -0.041 0.000 0.959 28 A CB -0.124 18.845 19.000 -0.051 0.000 1.094 28 A HN 0.507 nan 8.150 nan 0.000 0.569 29 L N 0.651 121.861 121.223 -0.022 0.000 2.409 29 L HA 0.516 4.856 4.340 -0.000 0.000 0.272 29 L C 0.309 177.162 176.870 -0.029 0.000 0.980 29 L CA 0.077 54.902 54.840 -0.025 0.000 0.826 29 L CB 2.046 44.090 42.059 -0.025 0.000 1.268 29 L HN 0.298 nan 8.230 nan 0.000 0.407 30 T N -0.300 114.236 114.554 -0.031 0.000 2.899 30 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 30 T C 0.899 175.578 174.700 -0.036 0.000 1.004 30 T CA -0.029 62.053 62.100 -0.031 0.000 1.043 30 T CB 1.186 70.037 68.868 -0.029 0.000 1.013 30 T HN 0.727 nan 8.240 nan 0.000 0.518 31 E N 0.414 120.593 120.200 -0.034 0.000 2.160 31 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 31 E C 1.918 178.493 176.600 -0.042 0.000 0.991 31 E CA 1.652 58.029 56.400 -0.039 0.000 0.810 31 E CB -0.076 29.604 29.700 -0.034 0.000 0.742 31 E HN 0.870 nan 8.360 nan 0.000 0.466 32 E N -0.124 120.054 120.200 -0.038 0.000 2.152 32 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 32 E C 1.681 178.257 176.600 -0.041 0.000 0.983 32 E CA 0.922 57.299 56.400 -0.038 0.000 0.818 32 E CB 0.086 29.767 29.700 -0.032 0.000 0.758 32 E HN 0.384 nan 8.360 nan 0.000 0.467 33 E N 0.363 120.538 120.200 -0.040 0.000 2.106 33 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 33 E C 2.082 178.651 176.600 -0.051 0.000 0.984 33 E CA 0.520 56.895 56.400 -0.042 0.000 0.806 33 E CB -0.025 29.652 29.700 -0.038 0.000 0.750 33 E HN 0.166 nan 8.360 nan 0.000 0.458 34 L N 0.888 122.076 121.223 -0.059 0.000 2.042 34 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 34 L C 2.202 179.026 176.870 -0.076 0.000 1.076 34 L CA 1.392 56.186 54.840 -0.077 0.000 0.749 34 L CB -0.489 41.520 42.059 -0.082 0.000 0.893 34 L HN -0.039 nan 8.230 nan 0.000 0.432 35 V N 0.191 120.065 119.914 -0.066 0.000 2.282 35 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 35 V C 2.516 178.573 176.094 -0.061 0.000 1.057 35 V CA 1.965 64.225 62.300 -0.065 0.000 1.032 35 V CB -1.513 30.276 31.823 -0.056 0.000 0.645 35 V HN 0.656 nan 8.190 nan 0.000 0.447 36 G N -1.239 107.529 108.800 -0.052 0.000 2.586 36 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 36 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 36 G C 1.203 176.076 174.900 -0.045 0.000 1.128 36 G CA 0.534 45.607 45.100 -0.045 0.000 0.774 36 G HN 0.423 nan 8.290 nan 0.000 0.543 37 L N -1.001 120.188 121.223 -0.057 0.000 2.537 37 L HA 0.378 4.718 4.340 -0.000 0.000 0.224 37 L C 1.418 178.246 176.870 -0.070 0.000 1.065 37 L CA -0.244 54.561 54.840 -0.058 0.000 0.860 37 L CB -0.323 41.694 42.059 -0.070 0.000 1.086 37 L HN 0.063 nan 8.230 nan 0.000 0.482 38 R N 0.681 121.131 120.500 -0.084 0.000 2.484 38 R HA 0.329 4.669 4.340 -0.000 0.000 0.293 38 R C 0.361 176.604 176.300 -0.094 0.000 1.023 38 R CA 0.374 56.414 56.100 -0.099 0.000 1.037 38 R CB 0.260 30.495 30.300 -0.108 0.000 0.951 38 R HN 0.224 nan 8.270 nan 0.000 0.418 39 G N 3.333 112.074 108.800 -0.099 0.000 2.477 39 G HA2 0.287 4.247 3.960 -0.000 0.000 0.304 39 G HA3 0.287 4.247 3.960 -0.000 0.000 0.304 39 G C -0.967 173.858 174.900 -0.125 0.000 1.175 39 G CA -0.877 44.166 45.100 -0.096 0.000 0.907 39 G HN 0.573 nan 8.290 nan 0.000 0.509 40 L N 1.230 122.379 121.223 -0.123 0.000 2.559 40 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 40 L C 1.512 178.287 176.870 -0.158 0.000 1.205 40 L CA 2.246 57.002 54.840 -0.140 0.000 0.907 40 L CB 0.391 42.363 42.059 -0.146 0.000 1.153 40 L HN 1.321 nan 8.230 nan 0.000 0.490 41 G N 2.555 111.235 108.800 -0.200 0.000 2.317 41 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 41 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 41 G C 0.310 174.887 174.900 -0.538 0.000 1.042 41 G CA 0.020 44.951 45.100 -0.282 0.000 0.623 41 G HN 0.603 nan 8.290 nan 0.000 0.509 42 E N 0.960 120.903 120.200 -0.429 0.000 2.442 42 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 42 E C 0.895 177.230 176.600 -0.441 0.000 1.004 42 E CA 0.251 56.364 56.400 -0.479 0.000 0.928 42 E CB 0.605 30.158 29.700 -0.246 0.000 0.937 42 E HN 0.496 nan 8.360 nan 0.000 0.446 43 Q N 1.303 120.837 119.800 -0.444 0.000 2.247 43 Q HA 0.218 4.558 4.340 -0.000 0.000 0.211 43 Q C 0.769 176.680 176.000 -0.149 0.000 0.861 43 Q CA -0.421 55.218 55.803 -0.272 0.000 0.949 43 Q CB 0.409 29.000 28.738 -0.245 0.000 1.115 43 Q HN 0.581 nan 8.270 nan 0.000 0.507 44 I N 3.636 124.125 120.570 -0.135 0.000 2.821 44 I HA -0.162 4.008 4.170 -0.000 0.000 0.294 44 I C -0.499 175.565 176.117 -0.088 0.000 1.210 44 I CA 0.353 61.601 61.300 -0.087 0.000 1.430 44 I CB 0.342 38.275 38.000 -0.113 0.000 1.356 44 I HN 0.086 nan 8.210 nan 0.000 0.563 45 D N 5.686 126.052 120.400 -0.056 0.000 2.497 45 D HA 0.224 4.864 4.640 -0.000 0.000 0.243 45 D C 0.707 176.984 176.300 -0.038 0.000 1.039 45 D CA -0.738 53.233 54.000 -0.049 0.000 1.052 45 D CB 0.882 41.663 40.800 -0.032 0.000 1.344 45 D HN 0.427 nan 8.370 nan 0.000 0.553 46 L N -0.477 120.727 121.223 -0.031 0.000 2.265 46 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 46 L C 2.090 178.967 176.870 0.012 0.000 1.117 46 L CA 0.587 55.416 54.840 -0.019 0.000 0.782 46 L CB -0.372 41.676 42.059 -0.018 0.000 0.914 46 L HN 0.388 nan 8.230 nan 0.000 0.441 47 L N 0.010 121.245 121.223 0.019 0.000 2.056 47 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 47 L C 2.389 179.304 176.870 0.076 0.000 1.078 47 L CA 1.771 56.636 54.840 0.042 0.000 0.749 47 L CB -0.423 41.658 42.059 0.035 0.000 0.901 47 L HN 0.212 nan 8.230 nan 0.000 0.433 48 E N -1.124 119.124 120.200 0.080 0.000 2.150 48 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 48 E C 2.043 178.783 176.600 0.235 0.000 0.985 48 E CA 1.098 57.586 56.400 0.147 0.000 0.814 48 E CB 0.096 29.881 29.700 0.141 0.000 0.752 48 E HN 0.419 nan 8.360 nan 0.000 0.466 49 V N 1.266 121.260 119.914 0.132 0.000 2.626 49 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 49 V C 1.789 178.000 176.094 0.194 0.000 1.067 49 V CA 1.869 64.252 62.300 0.138 0.000 1.081 49 V CB -0.361 31.452 31.823 -0.017 0.000 0.686 49 V HN 0.271 nan 8.190 nan 0.000 0.468 50 E N -0.076 120.208 120.200 0.140 0.000 2.075 50 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 50 E C 2.060 178.748 176.600 0.147 0.000 0.969 50 E CA 0.899 57.371 56.400 0.121 0.000 0.815 50 E CB -0.058 29.687 29.700 0.074 0.000 0.776 50 E HN 0.665 nan 8.360 nan 0.000 0.457 51 E N 0.415 120.713 120.200 0.163 0.000 2.371 51 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 51 E C 1.559 178.343 176.600 0.307 0.000 1.012 51 E CA 0.518 57.031 56.400 0.188 0.000 0.860 51 E CB 0.714 30.507 29.700 0.155 0.000 0.811 51 E HN 0.070 nan 8.360 nan 0.000 0.502 52 V N -0.836 119.265 119.914 0.312 0.000 3.103 52 V HA -0.044 4.076 4.120 -0.000 0.000 0.229 52 V C 1.204 177.462 176.094 0.273 0.000 1.304 52 V CA 0.322 62.803 62.300 0.301 0.000 1.298 52 V CB -0.143 31.718 31.823 0.062 0.000 1.093 52 V HN 0.103 nan 8.190 nan 0.000 0.489 53 Y N -0.318 120.099 120.300 0.194 0.000 2.395 53 Y HA 0.048 4.598 4.550 -0.000 0.000 0.293 53 Y C 2.092 178.102 175.900 0.184 0.000 1.123 53 Y CA 0.710 58.911 58.100 0.169 0.000 1.227 53 Y CB -0.088 38.435 38.460 0.106 0.000 1.012 53 Y HN 0.148 nan 8.280 nan 0.000 0.552 54 L N 0.237 121.646 121.223 0.310 0.000 2.072 54 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 54 L C -0.628 176.349 176.870 0.177 0.000 1.079 54 L CA 1.624 56.603 54.840 0.233 0.000 0.752 54 L CB -1.771 40.385 42.059 0.162 0.000 0.906 54 L HN 0.048 nan 8.230 nan 0.000 0.436 55 P HA -0.124 nan 4.420 nan 0.000 0.217 55 P C 1.917 179.223 177.300 0.010 0.000 1.151 55 P CA 0.776 63.809 63.100 -0.112 0.000 0.828 55 P CB 0.082 31.449 31.700 -0.555 0.000 0.788 56 L N 0.096 121.483 121.223 0.274 0.000 2.017 56 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 56 L C 2.175 179.047 176.870 0.003 0.000 1.073 56 L CA 2.134 57.115 54.840 0.236 0.000 0.745 56 L CB -1.589 40.577 42.059 0.178 0.000 0.894 56 L HN -0.120 nan 8.230 nan 0.000 0.432 57 A N -0.476 122.379 122.820 0.059 0.000 1.972 57 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 57 A C 2.545 180.030 177.584 -0.165 0.000 1.169 57 A CA 1.727 53.742 52.037 -0.036 0.000 0.635 57 A CB -0.644 18.529 19.000 0.288 0.000 0.810 57 A HN 0.541 nan 8.150 nan 0.000 0.446 58 R N -0.737 119.790 120.500 0.044 0.000 2.062 58 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 58 R C 2.112 178.353 176.300 -0.098 0.000 1.136 58 R CA 1.662 57.797 56.100 0.058 0.000 0.948 58 R CB -0.487 29.867 30.300 0.090 0.000 0.845 58 R HN 0.433 nan 8.270 nan 0.000 0.430 59 L N 1.383 122.537 121.223 -0.116 0.000 2.081 59 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 59 L C 1.998 178.735 176.870 -0.221 0.000 1.080 59 L CA 1.715 56.488 54.840 -0.112 0.000 0.754 59 L CB -0.316 41.728 42.059 -0.025 0.000 0.893 59 L HN 0.285 nan 8.230 nan 0.000 0.433 60 I N -1.367 118.955 120.570 -0.413 0.000 2.394 60 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 60 I C 2.013 177.710 176.117 -0.699 0.000 1.136 60 I CA 1.243 62.154 61.300 -0.649 0.000 1.425 60 I CB -0.333 37.191 38.000 -0.795 0.000 1.079 60 I HN 0.380 nan 8.210 nan 0.000 0.425 61 H N -0.046 118.680 119.070 -0.572 0.000 2.529 61 H HA 0.059 4.615 4.556 -0.000 0.000 0.277 61 H C 2.182 177.298 175.328 -0.354 0.000 0.999 61 H CA 0.514 56.208 56.048 -0.591 0.000 1.256 61 H CB 0.370 29.591 29.762 -0.902 0.000 1.402 61 H HN 0.229 nan 8.280 nan 0.000 0.566 62 L N -0.060 121.076 121.223 -0.145 0.000 2.072 62 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 62 L C 2.020 178.847 176.870 -0.072 0.000 1.079 62 L CA 1.168 55.965 54.840 -0.072 0.000 0.752 62 L CB -0.238 41.799 42.059 -0.036 0.000 0.906 62 L HN 0.357 nan 8.230 nan 0.000 0.436 63 Q N -0.668 119.072 119.800 -0.100 0.000 2.297 63 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 63 Q C 2.294 178.265 176.000 -0.048 0.000 0.962 63 Q CA 0.812 56.612 55.803 -0.004 0.000 0.879 63 Q CB 0.136 28.952 28.738 0.129 0.000 0.947 63 Q HN 0.365 nan 8.270 nan 0.000 0.462 64 V N 0.867 120.567 119.914 -0.356 0.000 2.295 64 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 64 V C 2.274 178.332 176.094 -0.059 0.000 1.049 64 V CA 1.948 63.999 62.300 -0.414 0.000 1.024 64 V CB -0.889 30.594 31.823 -0.566 0.000 0.648 64 V HN 0.376 nan 8.190 nan 0.000 0.447 65 A N 0.032 122.816 122.820 -0.061 0.000 1.877 65 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 65 A C 2.446 180.059 177.584 0.048 0.000 1.186 65 A CA 2.080 54.112 52.037 -0.008 0.000 0.620 65 A CB -0.890 18.090 19.000 -0.034 0.000 0.822 65 A HN 0.562 nan 8.150 nan 0.000 0.443 66 A N -0.387 122.464 122.820 0.051 0.000 1.908 66 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 66 A C 2.199 179.858 177.584 0.126 0.000 1.181 66 A CA 2.171 54.254 52.037 0.076 0.000 0.627 66 A CB -0.465 18.577 19.000 0.070 0.000 0.818 66 A HN 0.458 nan 8.150 nan 0.000 0.445 67 R N -0.236 120.387 120.500 0.205 0.000 2.096 67 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 67 R C 2.297 178.805 176.300 0.348 0.000 1.127 67 R CA 2.021 58.298 56.100 0.295 0.000 0.968 67 R CB -0.436 30.176 30.300 0.519 0.000 0.861 67 R HN 0.720 nan 8.270 nan 0.000 0.440 68 Q N -0.758 119.227 119.800 0.309 0.000 2.224 68 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 68 Q C 1.964 178.100 176.000 0.227 0.000 0.970 68 Q CA 0.887 56.873 55.803 0.305 0.000 0.865 68 Q CB 0.039 28.883 28.738 0.177 0.000 0.922 68 Q HN 0.167 nan 8.270 nan 0.000 0.445 69 R N 0.363 120.949 120.500 0.144 0.000 2.081 69 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 69 R C 2.198 178.546 176.300 0.081 0.000 1.131 69 R CA 0.857 57.013 56.100 0.094 0.000 0.960 69 R CB -0.697 29.639 30.300 0.060 0.000 0.856 69 R HN 0.235 nan 8.270 nan 0.000 0.436 70 L N 0.210 121.463 121.223 0.051 0.000 2.042 70 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 70 L C 1.994 178.813 176.870 -0.086 0.000 1.076 70 L CA 1.650 56.454 54.840 -0.060 0.000 0.749 70 L CB -0.694 41.270 42.059 -0.159 0.000 0.893 70 L HN 0.012 nan 8.230 nan 0.000 0.432 71 F N -0.930 119.046 119.950 0.043 0.000 2.407 71 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 71 F C 2.334 178.160 175.800 0.044 0.000 1.097 71 F CA 0.822 58.846 58.000 0.041 0.000 1.422 71 F CB -0.596 38.431 39.000 0.046 0.000 1.067 71 F HN 0.169 nan 8.300 nan 0.000 0.539 72 A N 0.052 122.997 122.820 0.208 0.000 1.897 72 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 72 A C 2.417 180.065 177.584 0.107 0.000 1.181 72 A CA 1.383 53.502 52.037 0.138 0.000 0.620 72 A CB -1.173 17.890 19.000 0.105 0.000 0.821 72 A HN 0.274 nan 8.150 nan 0.000 0.443 73 A N -0.701 122.167 122.820 0.080 0.000 1.883 73 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 73 A C 2.314 179.962 177.584 0.107 0.000 1.186 73 A CA 2.495 54.573 52.037 0.067 0.000 0.624 73 A CB -1.438 17.573 19.000 0.019 0.000 0.822 73 A HN 0.419 nan 8.150 nan 0.000 0.444 74 T N 0.158 114.766 114.554 0.090 0.000 2.788 74 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 74 T C 2.181 177.005 174.700 0.207 0.000 1.044 74 T CA 1.580 63.765 62.100 0.142 0.000 1.139 74 T CB -0.440 68.482 68.868 0.089 0.000 0.867 74 T HN 0.620 nan 8.240 nan 0.000 0.454 75 A N 1.307 124.223 122.820 0.159 0.000 1.902 75 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 75 A C 2.211 179.855 177.584 0.099 0.000 1.181 75 A CA 1.933 54.044 52.037 0.124 0.000 0.623 75 A CB -0.608 18.456 19.000 0.107 0.000 0.818 75 A HN 0.635 nan 8.150 nan 0.000 0.443 76 E N -1.035 119.229 120.200 0.108 0.000 2.017 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 76 E C 1.835 178.486 176.600 0.085 0.000 0.997 76 E CA 1.536 57.985 56.400 0.083 0.000 0.804 76 E CB -0.372 29.380 29.700 0.087 0.000 0.757 76 E HN 0.547 nan 8.360 nan 0.000 0.448 77 F N 1.520 121.477 119.950 0.013 0.000 2.087 77 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 77 F C 1.839 177.644 175.800 0.009 0.000 1.100 77 F CA 1.640 59.645 58.000 0.008 0.000 1.226 77 F CB -0.308 38.694 39.000 0.004 0.000 0.983 77 F HN 0.040 nan 8.300 nan 0.000 0.479 78 L N 0.437 121.574 121.223 -0.143 0.000 2.622 78 L HA 0.104 4.444 4.340 -0.000 0.000 0.233 78 L C 1.617 178.383 176.870 -0.174 0.000 1.156 78 L CA 0.666 55.373 54.840 -0.222 0.000 0.866 78 L CB -1.263 40.807 42.059 0.019 0.000 0.980 78 L HN 0.501 nan 8.230 nan 0.000 0.448 79 G N 0.664 109.385 108.800 -0.131 0.000 2.273 79 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 79 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 79 G C 0.096 174.969 174.900 -0.045 0.000 1.047 79 G CA 0.126 45.175 45.100 -0.086 0.000 0.869 79 G HN 0.455 nan 8.290 nan 0.000 0.502 80 E N -0.492 119.697 120.200 -0.018 0.000 2.322 80 E HA 0.406 4.756 4.350 -0.000 0.000 0.257 80 E C -0.453 176.148 176.600 0.002 0.000 1.155 80 E CA -1.378 55.020 56.400 -0.003 0.000 0.936 80 E CB 0.661 30.370 29.700 0.016 0.000 1.130 80 E HN 0.180 nan 8.360 nan 0.000 0.465 81 P HA -0.182 nan 4.420 nan 0.000 0.200 81 P C 0.487 177.793 177.300 0.010 0.000 1.007 81 P CA 1.293 64.395 63.100 0.003 0.000 0.916 81 P CB 0.236 31.937 31.700 0.001 0.000 0.696 82 Q N -4.224 115.585 119.800 0.014 0.000 1.501 82 Q HA 0.382 4.722 4.340 -0.000 0.000 0.144 82 Q C -1.278 174.735 176.000 0.022 0.000 0.465 82 Q CA 0.619 56.434 55.803 0.021 0.000 0.797 82 Q CB -0.009 28.739 28.738 0.017 0.000 0.824 82 Q HN 0.125 nan 8.270 nan 0.000 0.167 83 Q N -0.645 119.164 119.800 0.015 0.000 3.198 83 Q HA 0.408 4.748 4.340 -0.000 0.000 0.182 83 Q C -1.091 174.913 176.000 0.008 0.000 0.926 83 Q CA 0.196 56.005 55.803 0.011 0.000 1.287 83 Q CB -1.839 26.911 28.738 0.020 0.000 1.640 83 Q HN 1.084 nan 8.270 nan 0.000 0.626 84 N N 3.193 121.893 118.700 -0.000 0.000 2.332 84 N HA 0.309 5.049 4.740 -0.000 0.000 0.274 84 N C -0.728 174.788 175.510 0.010 0.000 1.351 84 N CA 0.060 53.111 53.050 0.001 0.000 0.875 84 N CB -0.100 38.381 38.487 -0.009 0.000 1.140 84 N HN 0.566 nan 8.380 nan 0.000 0.489 85 P HA -0.089 nan 4.420 nan 0.000 0.224 85 P C -0.626 176.691 177.300 0.028 0.000 1.142 85 P CA 1.325 64.436 63.100 0.019 0.000 0.778 85 P CB 0.227 31.936 31.700 0.015 0.000 0.764 86 D N -0.951 119.468 120.400 0.031 0.000 3.010 86 D HA 0.265 4.905 4.640 -0.000 0.000 0.347 86 D C 0.330 176.660 176.300 0.051 0.000 1.340 86 D CA -0.255 53.775 54.000 0.049 0.000 0.858 86 D CB 0.294 41.124 40.800 0.050 0.000 1.111 86 D HN -0.234 nan 8.370 nan 0.000 0.482 87 R N 0.884 121.409 120.500 0.042 0.000 2.385 87 R HA 0.090 4.430 4.340 -0.000 0.000 0.148 87 R C -2.646 173.661 176.300 0.011 0.000 1.086 87 R CA -0.630 55.487 56.100 0.029 0.000 0.827 87 R CB -0.874 29.405 30.300 -0.035 0.000 1.260 87 R HN 0.226 nan 8.270 nan 0.000 0.617 88 P HA 0.064 nan 4.420 nan 0.000 0.323 88 P C -0.368 176.912 177.300 -0.034 0.000 1.374 88 P CA -0.253 62.851 63.100 0.007 0.000 0.798 88 P CB 0.516 32.234 31.700 0.030 0.000 1.763 89 V N 0.448 120.319 119.914 -0.071 0.000 2.350 89 V HA 0.281 4.401 4.120 -0.000 0.000 0.285 89 V C -2.334 173.686 176.094 -0.124 0.000 1.014 89 V CA -1.642 60.539 62.300 -0.197 0.000 0.831 89 V CB 0.893 32.433 31.823 -0.471 0.000 1.000 89 V HN 0.411 nan 8.190 nan 0.000 0.433 90 P HA -0.016 nan 4.420 nan 0.000 0.261 90 P C -0.698 176.632 177.300 0.051 0.000 1.183 90 P CA 0.211 63.317 63.100 0.010 0.000 0.761 90 P CB 0.088 31.782 31.700 -0.011 0.000 0.785 91 F N 5.350 125.290 119.950 -0.016 0.000 2.421 91 F HA 0.289 4.816 4.527 0.000 0.000 0.358 91 F C -0.115 175.706 175.800 0.035 0.000 1.115 91 F CA -0.605 57.409 58.000 0.023 0.000 1.160 91 F CB 0.262 39.269 39.000 0.012 0.000 1.123 91 F HN 0.122 nan 8.300 nan 0.000 0.508 92 I N 7.978 128.444 120.570 -0.173 0.000 2.353 92 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 92 I C -0.029 175.997 176.117 -0.151 0.000 0.992 92 I CA -0.633 60.635 61.300 -0.054 0.000 1.268 92 I CB 1.006 39.057 38.000 0.084 0.000 1.387 92 I HN 0.500 nan 8.210 nan 0.000 0.478 93 I N 4.501 125.005 120.570 -0.110 0.000 2.474 93 I HA 0.542 4.711 4.170 -0.000 0.000 0.294 93 I C 0.497 176.305 176.117 -0.515 0.000 1.005 93 I CA -0.521 60.675 61.300 -0.174 0.000 1.113 93 I CB 2.276 40.307 38.000 0.052 0.000 1.289 93 I HN 0.643 nan 8.210 nan 0.000 0.436 94 G N 4.988 113.272 108.800 -0.860 0.000 2.379 94 G HA2 0.624 4.584 3.960 -0.000 0.000 0.327 94 G HA3 0.624 4.584 3.960 -0.000 0.000 0.327 94 G C -1.070 173.620 174.900 -0.350 0.000 1.145 94 G CA -0.360 44.107 45.100 -1.055 0.000 0.905 94 G HN 0.334 nan 8.290 nan 0.000 0.466 95 V N 1.432 121.231 119.914 -0.192 0.000 2.443 95 V HA 0.751 4.871 4.120 -0.000 0.000 0.293 95 V C 0.309 176.364 176.094 -0.065 0.000 1.021 95 V CA -0.567 61.689 62.300 -0.072 0.000 0.848 95 V CB 0.799 32.609 31.823 -0.023 0.000 0.998 95 V HN 1.133 nan 8.190 nan 0.000 0.424 96 A N 3.413 126.184 122.820 -0.081 0.000 2.387 96 A HA 1.106 5.426 4.320 -0.000 0.000 0.298 96 A C 0.149 177.516 177.584 -0.361 0.000 1.165 96 A CA -0.236 51.717 52.037 -0.141 0.000 0.814 96 A CB 2.074 21.046 19.000 -0.046 0.000 1.357 96 A HN 1.853 nan 8.150 nan 0.000 0.443 97 G N -1.218 107.329 108.800 -0.422 0.000 2.352 97 G HA2 0.523 4.483 3.960 -0.000 0.000 0.302 97 G HA3 0.523 4.483 3.960 -0.000 0.000 0.302 97 G C -0.304 174.460 174.900 -0.227 0.000 1.370 97 G CA 0.172 44.937 45.100 -0.559 0.000 0.918 97 G HN 1.690 nan 8.290 nan 0.000 0.610 98 S N -1.526 114.096 115.700 -0.130 0.000 2.614 98 S HA 0.554 5.024 4.470 -0.000 0.000 0.265 98 S C 0.922 175.568 174.600 0.077 0.000 1.303 98 S CA -0.083 58.115 58.200 -0.003 0.000 1.000 98 S CB 1.024 64.273 63.200 0.082 0.000 0.935 98 S HN 1.346 nan 8.310 nan 0.000 0.551 99 V N 3.042 123.026 119.914 0.116 0.000 2.763 99 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 99 V C 1.353 177.626 176.094 0.298 0.000 1.059 99 V CA 1.042 63.459 62.300 0.195 0.000 1.138 99 V CB 0.095 32.037 31.823 0.199 0.000 0.940 99 V HN 1.658 nan 8.190 nan 0.000 0.489 100 A N 3.422 126.420 122.820 0.296 0.000 2.979 100 A HA -0.165 4.155 4.320 -0.000 0.000 0.260 100 A C 1.258 179.074 177.584 0.386 0.000 1.282 100 A CA 1.115 53.357 52.037 0.341 0.000 0.971 100 A CB -1.879 17.399 19.000 0.465 0.000 1.124 100 A HN 1.291 nan 8.150 nan 0.000 0.826 101 V N -1.372 118.727 119.914 0.309 0.000 3.354 101 V HA 0.450 4.570 4.120 -0.000 0.000 0.258 101 V C 1.823 178.088 176.094 0.284 0.000 1.159 101 V CA 2.424 64.951 62.300 0.378 0.000 1.125 101 V CB 0.288 32.238 31.823 0.212 0.000 0.774 101 V HN 2.403 nan 8.190 nan 0.000 0.464 102 G N 0.685 109.591 108.800 0.175 0.000 2.192 102 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.193 102 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.193 102 G C 0.992 175.943 174.900 0.084 0.000 0.999 102 G CA 0.463 45.627 45.100 0.107 0.000 0.659 102 G HN 0.574 nan 8.290 nan 0.000 0.503 103 K N 0.851 121.294 120.400 0.071 0.000 2.160 103 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 103 K C 2.146 178.778 176.600 0.054 0.000 1.047 103 K CA 2.040 58.353 56.287 0.044 0.000 0.930 103 K CB -0.446 32.052 32.500 -0.003 0.000 0.720 103 K HN 0.326 nan 8.250 nan 0.000 0.450 104 S N 1.047 116.780 115.700 0.055 0.000 2.368 104 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 104 S C 1.985 176.608 174.600 0.039 0.000 1.030 104 S CA 1.803 60.033 58.200 0.052 0.000 0.999 104 S CB -0.427 62.800 63.200 0.046 0.000 0.844 104 S HN 0.454 nan 8.310 nan 0.000 0.459 105 T N 2.025 116.595 114.554 0.028 0.000 2.812 105 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 105 T C 2.103 176.819 174.700 0.027 0.000 1.042 105 T CA 1.569 63.670 62.100 0.002 0.000 1.140 105 T CB -0.708 68.142 68.868 -0.029 0.000 0.870 105 T HN 0.394 nan 8.240 nan 0.000 0.445 106 T N 2.056 116.668 114.554 0.098 0.000 2.699 106 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 106 T C 2.300 177.116 174.700 0.194 0.000 1.036 106 T CA 1.354 63.593 62.100 0.232 0.000 1.147 106 T CB -0.492 68.514 68.868 0.229 0.000 0.862 106 T HN 0.439 nan 8.240 nan 0.000 0.446 107 A N 1.235 124.120 122.820 0.109 0.000 1.929 107 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 107 A C 2.372 179.997 177.584 0.069 0.000 1.176 107 A CA 1.110 53.199 52.037 0.086 0.000 0.628 107 A CB -0.379 18.657 19.000 0.061 0.000 0.816 107 A HN 0.382 nan 8.150 nan 0.000 0.444 108 R N -0.706 119.821 120.500 0.045 0.000 2.092 108 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 108 R C 1.999 178.301 176.300 0.004 0.000 1.119 108 R CA 1.337 57.450 56.100 0.022 0.000 0.970 108 R CB -0.397 29.905 30.300 0.004 0.000 0.864 108 R HN 0.396 nan 8.270 nan 0.000 0.440 109 V N 1.267 121.166 119.914 -0.024 0.000 2.358 109 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 109 V C 2.166 178.275 176.094 0.025 0.000 1.047 109 V CA 1.320 63.566 62.300 -0.090 0.000 1.035 109 V CB -0.382 31.225 31.823 -0.359 0.000 0.658 109 V HN 0.225 nan 8.190 nan 0.000 0.452 110 L N 0.173 121.473 121.223 0.128 0.000 2.046 110 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 110 L C 2.507 179.433 176.870 0.093 0.000 1.077 110 L CA 2.275 57.213 54.840 0.164 0.000 0.747 110 L CB -0.788 41.368 42.059 0.161 0.000 0.896 110 L HN 0.437 nan 8.230 nan 0.000 0.432 111 Q N -0.916 118.925 119.800 0.068 0.000 2.084 111 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 111 Q C 2.090 178.125 176.000 0.057 0.000 0.978 111 Q CA 1.690 57.526 55.803 0.055 0.000 0.844 111 Q CB -0.168 28.598 28.738 0.047 0.000 0.898 111 Q HN 0.626 nan 8.270 nan 0.000 0.426 112 A N 1.005 123.852 122.820 0.046 0.000 1.902 112 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 112 A C 2.075 179.706 177.584 0.077 0.000 1.181 112 A CA 1.179 53.238 52.037 0.038 0.000 0.623 112 A CB -0.663 18.340 19.000 0.007 0.000 0.818 112 A HN 0.436 nan 8.150 nan 0.000 0.443 113 L N -0.642 120.649 121.223 0.112 0.000 1.976 113 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 113 L C 2.619 179.683 176.870 0.322 0.000 1.071 113 L CA 1.342 56.300 54.840 0.198 0.000 0.746 113 L CB -0.816 41.381 42.059 0.230 0.000 0.890 113 L HN 0.358 nan 8.230 nan 0.000 0.432 114 L N -0.058 121.317 121.223 0.252 0.000 2.081 114 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 114 L C 2.824 179.877 176.870 0.304 0.000 1.080 114 L CA 1.237 56.237 54.840 0.267 0.000 0.754 114 L CB -0.773 41.281 42.059 -0.007 0.000 0.893 114 L HN 0.292 nan 8.230 nan 0.000 0.433 115 A N -0.398 122.528 122.820 0.176 0.000 2.015 115 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 115 A C 2.013 179.670 177.584 0.122 0.000 1.163 115 A CA 0.912 53.016 52.037 0.112 0.000 0.646 115 A CB -0.313 18.714 19.000 0.044 0.000 0.806 115 A HN 0.302 nan 8.150 nan 0.000 0.448 116 R N -0.750 119.846 120.500 0.159 0.000 3.541 116 R HA 0.066 4.406 4.340 -0.000 0.000 0.277 116 R C -0.837 175.568 176.300 0.175 0.000 1.539 116 R CA -0.456 55.722 56.100 0.130 0.000 1.338 116 R CB -0.023 30.305 30.300 0.046 0.000 1.343 116 R HN 0.633 nan 8.270 nan 0.000 0.623 117 W N 0.870 122.193 121.300 0.038 0.000 2.365 117 W HA 0.044 4.704 4.660 0.001 0.000 0.316 117 W C 0.387 176.794 176.519 -0.187 0.000 1.164 117 W CA -0.490 56.782 57.345 -0.122 0.000 1.204 117 W CB 1.215 30.461 29.460 -0.355 0.000 1.213 117 W HN 0.251 nan 8.180 nan 0.000 0.539 118 D N 0.964 121.160 120.400 -0.340 0.000 2.347 118 D HA -0.318 4.322 4.640 -0.000 0.000 0.189 118 D C 1.872 178.015 176.300 -0.262 0.000 1.020 118 D CA 2.170 55.998 54.000 -0.286 0.000 0.875 118 D CB -0.389 40.302 40.800 -0.182 0.000 0.928 118 D HN 0.458 nan 8.370 nan 0.000 0.454 119 H N -0.738 118.295 119.070 -0.063 0.000 2.566 119 H HA 0.033 4.589 4.556 -0.000 0.000 0.280 119 H C -0.148 175.217 175.328 0.062 0.000 1.042 119 H CA 0.353 56.380 56.048 -0.035 0.000 1.168 119 H CB -1.006 28.767 29.762 0.020 0.000 1.340 119 H HN 0.179 nan 8.280 nan 0.000 0.597 120 H N 0.262 119.241 119.070 -0.152 0.000 2.262 120 H HA -0.097 4.459 4.556 -0.000 0.000 0.319 120 H C -2.154 173.126 175.328 -0.081 0.000 0.947 120 H CA 0.347 56.336 56.048 -0.099 0.000 1.060 120 H CB -1.568 28.178 29.762 -0.027 0.000 1.605 120 H HN 0.536 nan 8.280 nan 0.000 0.346 121 P HA 0.108 nan 4.420 nan 0.000 0.271 121 P C 0.459 177.796 177.300 0.062 0.000 1.216 121 P CA -0.251 62.873 63.100 0.041 0.000 0.776 121 P CB 0.670 32.395 31.700 0.043 0.000 0.881 122 R N 2.586 123.127 120.500 0.068 0.000 2.248 122 R HA 0.300 4.640 4.340 -0.000 0.000 0.337 122 R C -1.170 175.157 176.300 0.045 0.000 1.085 122 R CA -0.207 55.918 56.100 0.042 0.000 0.934 122 R CB -0.241 30.075 30.300 0.025 0.000 1.034 122 R HN 0.229 nan 8.270 nan 0.000 0.465 123 V N 5.278 125.217 119.914 0.042 0.000 2.334 123 V HA 0.234 4.354 4.120 -0.000 0.000 0.281 123 V C -0.327 175.797 176.094 0.049 0.000 1.016 123 V CA -0.804 61.526 62.300 0.050 0.000 0.832 123 V CB 1.393 33.247 31.823 0.050 0.000 0.999 123 V HN 0.765 nan 8.190 nan 0.000 0.439 124 D N 3.456 123.893 120.400 0.062 0.000 2.229 124 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 124 D C -0.707 175.648 176.300 0.092 0.000 1.027 124 D CA -0.322 53.724 54.000 0.077 0.000 0.923 124 D CB 2.802 43.661 40.800 0.097 0.000 1.174 124 D HN 0.374 nan 8.370 nan 0.000 0.443 125 L N 1.807 123.087 121.223 0.095 0.000 2.381 125 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 125 L C -1.536 175.405 176.870 0.117 0.000 0.988 125 L CA -0.611 54.287 54.840 0.096 0.000 0.824 125 L CB 1.785 43.888 42.059 0.073 0.000 1.263 125 L HN 0.084 nan 8.230 nan 0.000 0.410 126 V N 3.383 123.382 119.914 0.142 0.000 2.531 126 V HA 0.605 4.725 4.120 -0.000 0.000 0.301 126 V C 0.065 176.240 176.094 0.135 0.000 1.034 126 V CA -0.318 62.072 62.300 0.149 0.000 0.865 126 V CB 2.150 34.111 31.823 0.230 0.000 0.995 126 V HN 0.888 nan 8.190 nan 0.000 0.424 127 T N -0.311 114.315 114.554 0.120 0.000 2.909 127 T HA 0.268 4.618 4.350 -0.000 0.000 0.286 127 T C 1.235 176.033 174.700 0.162 0.000 1.002 127 T CA 0.216 62.392 62.100 0.127 0.000 1.074 127 T CB 1.450 70.401 68.868 0.138 0.000 0.984 127 T HN 0.841 nan 8.240 nan 0.000 0.495 128 T N -1.338 113.311 114.554 0.157 0.000 3.035 128 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 128 T C 1.173 176.079 174.700 0.343 0.000 1.109 128 T CA 1.010 63.247 62.100 0.228 0.000 1.119 128 T CB -0.755 68.087 68.868 -0.043 0.000 0.900 128 T HN 0.791 nan 8.240 nan 0.000 0.503 129 D N 1.593 122.121 120.400 0.214 0.000 2.384 129 D HA 0.049 4.689 4.640 -0.000 0.000 0.222 129 D C 2.014 178.242 176.300 -0.121 0.000 0.976 129 D CA 0.697 54.692 54.000 -0.008 0.000 0.915 129 D CB -0.916 39.678 40.800 -0.343 0.000 0.896 129 D HN 0.515 nan 8.370 nan 0.000 0.523 130 G N -0.760 108.021 108.800 -0.032 0.000 2.534 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 130 G C 0.750 175.431 174.900 -0.367 0.000 1.128 130 G CA -0.109 44.877 45.100 -0.189 0.000 0.784 130 G HN 0.299 nan 8.290 nan 0.000 0.542 131 F N 0.427 120.352 119.950 -0.042 0.000 2.693 131 F HA 0.429 4.956 4.527 -0.000 0.000 0.303 131 F C 1.029 176.753 175.800 -0.127 0.000 1.097 131 F CA -0.557 57.409 58.000 -0.057 0.000 1.330 131 F CB 0.190 39.183 39.000 -0.012 0.000 1.067 131 F HN -0.112 nan 8.300 nan 0.000 0.565 132 L N -0.125 121.027 121.223 -0.119 0.000 2.439 132 L HA 0.053 4.393 4.340 -0.000 0.000 0.269 132 L C -0.011 176.721 176.870 -0.230 0.000 1.179 132 L CA -0.262 54.337 54.840 -0.400 0.000 0.828 132 L CB 0.318 42.028 42.059 -0.582 0.000 1.106 132 L HN 0.061 nan 8.230 nan 0.000 0.467 133 Y N 2.391 122.617 120.300 -0.123 0.000 2.379 133 Y HA 0.104 4.654 4.550 0.000 0.000 0.337 133 Y C -1.699 174.161 175.900 -0.067 0.000 1.238 133 Y CA -1.623 56.443 58.100 -0.057 0.000 1.405 133 Y CB 0.193 38.627 38.460 -0.044 0.000 1.310 133 Y HN 0.417 nan 8.280 nan 0.000 0.569 134 P HA 0.011 nan 4.420 nan 0.000 0.269 134 P C -0.093 177.224 177.300 0.028 0.000 1.215 134 P CA -0.055 63.078 63.100 0.055 0.000 0.780 134 P CB 0.710 32.435 31.700 0.042 0.000 0.898 135 N N 1.537 120.226 118.700 -0.018 0.000 2.061 135 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 135 N C 1.742 177.251 175.510 -0.002 0.000 1.030 135 N CA 2.022 55.057 53.050 -0.026 0.000 0.856 135 N CB -1.156 37.302 38.487 -0.048 0.000 1.023 135 N HN 0.454 nan 8.380 nan 0.000 0.424 136 A N 0.723 123.540 122.820 -0.005 0.000 1.940 136 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 136 A C 2.213 179.788 177.584 -0.016 0.000 1.176 136 A CA 1.904 53.938 52.037 -0.005 0.000 0.631 136 A CB -0.479 18.516 19.000 -0.008 0.000 0.814 136 A HN 0.336 nan 8.150 nan 0.000 0.446 137 E N -0.735 119.454 120.200 -0.018 0.000 2.158 137 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 137 E C 1.637 178.178 176.600 -0.098 0.000 0.982 137 E CA 0.560 56.919 56.400 -0.068 0.000 0.823 137 E CB -0.254 29.409 29.700 -0.062 0.000 0.766 137 E HN 0.333 nan 8.360 nan 0.000 0.468 138 L N 0.698 121.900 121.223 -0.034 0.000 2.072 138 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 138 L C 2.288 179.152 176.870 -0.009 0.000 1.079 138 L CA 1.611 56.440 54.840 -0.020 0.000 0.752 138 L CB -0.962 41.104 42.059 0.012 0.000 0.906 138 L HN 0.204 nan 8.230 nan 0.000 0.436 139 Q N -1.188 118.615 119.800 0.005 0.000 2.030 139 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 139 Q C 2.447 178.445 176.000 -0.002 0.000 0.986 139 Q CA 1.606 57.420 55.803 0.019 0.000 0.843 139 Q CB -0.160 28.590 28.738 0.019 0.000 0.904 139 Q HN 0.236 nan 8.270 nan 0.000 0.420 140 R N 0.497 120.981 120.500 -0.027 0.000 2.096 140 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 140 R C 1.630 177.901 176.300 -0.048 0.000 1.139 140 R CA 1.631 57.707 56.100 -0.041 0.000 0.952 140 R CB -0.081 30.180 30.300 -0.064 0.000 0.854 140 R HN 0.219 nan 8.270 nan 0.000 0.436 141 R N 0.173 120.631 120.500 -0.070 0.000 2.319 141 R HA 0.035 4.375 4.340 -0.000 0.000 0.204 141 R C 0.172 176.459 176.300 -0.022 0.000 0.954 141 R CA 0.086 56.145 56.100 -0.068 0.000 1.066 141 R CB -0.225 30.001 30.300 -0.123 0.000 0.991 141 R HN 0.254 nan 8.270 nan 0.000 0.486 142 N N 0.410 119.114 118.700 0.007 0.000 2.727 142 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 142 N C -0.380 175.192 175.510 0.103 0.000 1.048 142 N CA 0.471 53.557 53.050 0.061 0.000 0.714 142 N CB -0.786 37.733 38.487 0.054 0.000 0.959 142 N HN 0.281 nan 8.380 nan 0.000 0.544 143 L N -0.895 120.354 121.223 0.044 0.000 2.959 143 L HA 0.239 4.579 4.340 -0.000 0.000 0.259 143 L C 1.492 178.356 176.870 -0.010 0.000 1.185 143 L CA -0.457 54.356 54.840 -0.045 0.000 0.998 143 L CB 0.015 42.039 42.059 -0.058 0.000 1.337 143 L HN 0.261 nan 8.230 nan 0.000 0.555 144 M N -0.027 119.643 119.600 0.118 0.000 2.358 144 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 144 M C 1.975 178.409 176.300 0.223 0.000 1.064 144 M CA 1.693 57.091 55.300 0.163 0.000 1.093 144 M CB -0.905 31.810 32.600 0.191 0.000 1.401 144 M HN 0.510 nan 8.290 nan 0.000 0.440 145 H N -2.601 116.521 119.070 0.087 0.000 2.551 145 H HA 0.268 4.824 4.556 -0.000 0.000 0.271 145 H C 1.028 176.388 175.328 0.054 0.000 0.984 145 H CA 0.004 56.108 56.048 0.094 0.000 1.164 145 H CB 0.177 29.967 29.762 0.047 0.000 1.437 145 H HN 0.067 nan 8.280 nan 0.000 0.550 146 R N 1.068 121.336 120.500 -0.386 0.000 2.613 146 R HA 0.147 4.487 4.340 -0.000 0.000 0.361 146 R C -0.293 176.102 176.300 0.157 0.000 1.072 146 R CA -0.327 55.550 56.100 -0.371 0.000 1.089 146 R CB 0.435 30.265 30.300 -0.784 0.000 1.343 146 R HN 0.224 nan 8.270 nan 0.000 0.571 147 K N 0.631 121.123 120.400 0.154 0.000 2.436 147 K HA 0.093 4.413 4.320 -0.000 0.000 0.282 147 K C 0.833 177.533 176.600 0.167 0.000 1.044 147 K CA 1.219 57.573 56.287 0.111 0.000 1.028 147 K CB 0.210 32.783 32.500 0.120 0.000 0.919 147 K HN 0.395 nan 8.250 nan 0.000 0.474 148 G N 3.814 112.655 108.800 0.068 0.000 2.307 148 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.210 148 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.210 148 G C -0.186 174.844 174.900 0.218 0.000 1.005 148 G CA -0.520 44.658 45.100 0.131 0.000 0.634 148 G HN 0.503 nan 8.290 nan 0.000 0.496 149 F N 1.732 121.736 119.950 0.090 0.000 2.444 149 F HA 0.445 4.972 4.527 0.000 0.000 0.331 149 F C -0.267 175.650 175.800 0.195 0.000 1.167 149 F CA -1.091 56.964 58.000 0.092 0.000 1.262 149 F CB 0.583 39.590 39.000 0.011 0.000 1.196 149 F HN -0.135 nan 8.300 nan 0.000 0.583 150 P HA -0.249 nan 4.420 nan 0.000 0.216 150 P C 1.209 178.679 177.300 0.284 0.000 1.157 150 P CA 1.970 65.214 63.100 0.240 0.000 0.880 150 P CB -0.075 31.704 31.700 0.132 0.000 0.791 151 E N 0.040 120.385 120.200 0.242 0.000 2.516 151 E HA -0.075 4.275 4.350 -0.000 0.000 0.199 151 E C 1.198 177.951 176.600 0.255 0.000 1.069 151 E CA 1.156 57.683 56.400 0.212 0.000 0.876 151 E CB -0.796 28.981 29.700 0.128 0.000 0.843 151 E HN 0.338 nan 8.360 nan 0.000 0.530 152 S N -0.937 114.906 115.700 0.238 0.000 2.548 152 S HA 0.066 4.536 4.470 -0.000 0.000 0.215 152 S C 0.227 174.793 174.600 -0.058 0.000 0.976 152 S CA -0.513 57.756 58.200 0.115 0.000 0.908 152 S CB -0.403 62.775 63.200 -0.037 0.000 0.781 152 S HN 0.175 nan 8.310 nan 0.000 0.519 153 Y N 1.600 121.893 120.300 -0.012 0.000 2.496 153 Y HA 0.542 5.092 4.550 -0.000 0.000 0.331 153 Y C 0.456 176.073 175.900 -0.472 0.000 1.140 153 Y CA -1.675 56.288 58.100 -0.229 0.000 1.166 153 Y CB 0.550 38.947 38.460 -0.105 0.000 1.249 153 Y HN 0.038 nan 8.280 nan 0.000 0.479 154 N N 1.918 120.331 118.700 -0.478 0.000 2.868 154 N HA 0.090 4.830 4.740 -0.000 0.000 0.252 154 N C 0.536 176.002 175.510 -0.072 0.000 1.130 154 N CA 0.093 52.892 53.050 -0.418 0.000 1.026 154 N CB 0.043 38.320 38.487 -0.351 0.000 1.335 154 N HN 0.678 nan 8.380 nan 0.000 0.516 155 R N 0.962 121.447 120.500 -0.025 0.000 2.152 155 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 155 R C 1.905 178.172 176.300 -0.055 0.000 1.117 155 R CA 0.861 56.927 56.100 -0.056 0.000 0.981 155 R CB 0.132 30.419 30.300 -0.022 0.000 0.870 155 R HN 0.448 nan 8.270 nan 0.000 0.451 156 R N 0.820 121.324 120.500 0.007 0.000 2.062 156 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 156 R C 2.173 178.488 176.300 0.025 0.000 1.136 156 R CA 1.540 57.655 56.100 0.024 0.000 0.948 156 R CB -0.234 30.106 30.300 0.067 0.000 0.845 156 R HN 0.214 nan 8.270 nan 0.000 0.430 157 A N 1.318 124.176 122.820 0.063 0.000 1.902 157 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 157 A C 2.055 179.656 177.584 0.028 0.000 1.181 157 A CA 1.308 53.432 52.037 0.145 0.000 0.623 157 A CB -0.670 18.495 19.000 0.276 0.000 0.818 157 A HN 0.397 nan 8.150 nan 0.000 0.443 158 L N -1.062 119.957 121.223 -0.340 0.000 2.012 158 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 158 L C 2.417 179.096 176.870 -0.317 0.000 1.073 158 L CA 2.867 57.168 54.840 -0.899 0.000 0.748 158 L CB -0.612 40.933 42.059 -0.856 0.000 0.891 158 L HN 0.447 nan 8.230 nan 0.000 0.431 159 M N -0.481 119.014 119.600 -0.175 0.000 2.117 159 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 159 M C 2.379 178.662 176.300 -0.029 0.000 1.065 159 M CA 1.705 56.949 55.300 -0.095 0.000 1.114 159 M CB -0.450 32.102 32.600 -0.080 0.000 1.361 159 M HN 0.181 nan 8.290 nan 0.000 0.408 160 R N -1.350 119.159 120.500 0.016 0.000 2.091 160 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 160 R C 2.197 178.556 176.300 0.098 0.000 1.136 160 R CA 1.885 58.020 56.100 0.058 0.000 0.959 160 R CB -0.805 29.553 30.300 0.097 0.000 0.856 160 R HN 0.473 nan 8.270 nan 0.000 0.437 161 F N 1.009 120.961 119.950 0.004 0.000 2.051 161 F HA -0.204 4.322 4.527 -0.000 0.000 0.296 161 F C 2.074 177.892 175.800 0.030 0.000 1.122 161 F CA 1.403 59.443 58.000 0.066 0.000 1.201 161 F CB -0.417 38.684 39.000 0.170 0.000 0.978 161 F HN -0.291 nan 8.300 nan 0.000 0.472 162 V N -0.133 119.773 119.914 -0.014 0.000 2.407 162 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 162 V C 2.308 178.326 176.094 -0.127 0.000 1.055 162 V CA 2.318 64.556 62.300 -0.103 0.000 1.049 162 V CB -1.231 30.612 31.823 0.033 0.000 0.662 162 V HN 0.453 nan 8.190 nan 0.000 0.455 163 T N -0.685 113.819 114.554 -0.084 0.000 2.708 163 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 163 T C 2.165 176.809 174.700 -0.094 0.000 1.037 163 T CA 1.889 63.946 62.100 -0.071 0.000 1.146 163 T CB -0.323 68.519 68.868 -0.043 0.000 0.865 163 T HN 0.512 nan 8.240 nan 0.000 0.435 164 S N 0.415 116.048 115.700 -0.112 0.000 2.359 164 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 164 S C 2.151 176.652 174.600 -0.166 0.000 1.035 164 S CA 1.422 59.547 58.200 -0.125 0.000 1.018 164 S CB -0.548 62.584 63.200 -0.113 0.000 0.876 164 S HN 0.293 nan 8.310 nan 0.000 0.448 165 V N 1.597 121.358 119.914 -0.255 0.000 2.307 165 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 165 V C 2.537 178.548 176.094 -0.138 0.000 1.045 165 V CA 2.120 64.285 62.300 -0.225 0.000 1.024 165 V CB -0.610 31.010 31.823 -0.337 0.000 0.651 165 V HN 0.484 nan 8.190 nan 0.000 0.449 166 K N 0.567 120.889 120.400 -0.130 0.000 2.283 166 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 166 K C 2.129 178.654 176.600 -0.125 0.000 1.048 166 K CA 1.293 57.510 56.287 -0.117 0.000 0.948 166 K CB -0.131 32.316 32.500 -0.089 0.000 0.742 166 K HN 0.615 nan 8.250 nan 0.000 0.458 167 S N -0.939 114.702 115.700 -0.098 0.000 2.607 167 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 167 S C 1.127 175.678 174.600 -0.082 0.000 0.969 167 S CA 0.550 58.702 58.200 -0.079 0.000 0.927 167 S CB 0.116 63.279 63.200 -0.061 0.000 0.772 167 S HN 0.453 nan 8.310 nan 0.000 0.533 168 G N 1.347 110.094 108.800 -0.088 0.000 2.130 168 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 168 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 168 G C 0.074 174.930 174.900 -0.073 0.000 0.999 168 G CA 0.048 45.105 45.100 -0.072 0.000 0.686 168 G HN 1.352 nan 8.290 nan 0.000 0.515 169 S N -0.431 115.217 115.700 -0.086 0.000 2.573 169 S HA 0.388 4.858 4.470 -0.000 0.000 0.277 169 S C 1.016 175.579 174.600 -0.061 0.000 1.346 169 S CA 0.388 58.516 58.200 -0.120 0.000 1.034 169 S CB 1.435 64.535 63.200 -0.167 0.000 0.879 169 S HN 0.108 nan 8.310 nan 0.000 0.528 170 D N 0.421 120.758 120.400 -0.105 0.000 2.183 170 D HA 0.097 4.737 4.640 -0.000 0.000 0.203 170 D C 0.270 176.758 176.300 0.314 0.000 0.969 170 D CA 1.508 55.566 54.000 0.097 0.000 0.842 170 D CB -0.153 40.692 40.800 0.076 0.000 0.957 170 D HN 0.830 nan 8.370 nan 0.000 0.484 171 Y N -2.228 118.146 120.300 0.124 0.000 2.592 171 Y HA 0.656 5.206 4.550 -0.000 0.000 0.334 171 Y C -1.167 174.778 175.900 0.075 0.000 1.136 171 Y CA -1.531 56.629 58.100 0.099 0.000 1.042 171 Y CB 0.978 39.496 38.460 0.096 0.000 1.325 171 Y HN -0.117 nan 8.280 nan 0.000 0.457 175 P HA 0.508 nan 4.420 nan 0.000 0.275 175 P C -0.712 176.407 177.300 -0.301 0.000 1.266 175 P CA -0.368 62.519 63.100 -0.356 0.000 0.793 175 P CB 0.697 32.189 31.700 -0.347 0.000 1.074 176 V N 0.416 120.234 119.914 -0.160 0.000 2.604 176 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 176 V C -0.902 175.180 176.094 -0.021 0.000 1.043 176 V CA -0.594 61.654 62.300 -0.087 0.000 0.888 176 V CB 1.367 33.154 31.823 -0.059 0.000 0.995 176 V HN 0.397 nan 8.190 nan 0.000 0.429 177 Y N 2.678 122.895 120.300 -0.138 0.000 2.360 177 Y HA 0.601 5.151 4.550 -0.000 0.000 0.337 177 Y C 0.438 176.261 175.900 -0.127 0.000 1.039 177 Y CA -0.290 57.719 58.100 -0.152 0.000 1.109 177 Y CB 1.985 40.320 38.460 -0.208 0.000 1.201 177 Y HN 0.628 nan 8.280 nan 0.000 0.458 178 S N 4.554 119.827 115.700 -0.711 0.000 2.461 178 S HA 0.228 4.698 4.470 -0.000 0.000 0.322 178 S C 0.285 174.543 174.600 -0.570 0.000 1.063 178 S CA -0.382 57.557 58.200 -0.435 0.000 1.120 178 S CB -0.048 63.049 63.200 -0.171 0.000 0.968 178 S HN 0.956 nan 8.310 nan 0.000 0.467 179 H N 3.264 122.253 119.070 -0.134 0.000 2.456 179 H HA -0.034 4.522 4.556 -0.000 0.000 0.296 179 H C 1.733 177.129 175.328 0.114 0.000 1.079 179 H CA 1.757 57.875 56.048 0.117 0.000 1.322 179 H CB 0.137 30.032 29.762 0.222 0.000 1.388 179 H HN 0.536 nan 8.280 nan 0.000 0.538 180 L N 0.038 121.308 121.223 0.078 0.000 2.017 180 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 180 L C 1.524 178.320 176.870 -0.122 0.000 1.073 180 L CA 1.868 56.676 54.840 -0.054 0.000 0.745 180 L CB -0.309 41.591 42.059 -0.265 0.000 0.894 180 L HN 0.393 nan 8.230 nan 0.000 0.432 181 H N -2.094 116.992 119.070 0.026 0.000 2.539 181 H HA 0.028 4.584 4.556 0.000 0.000 0.269 181 H C 0.047 175.341 175.328 -0.058 0.000 0.980 181 H CA 0.389 56.426 56.048 -0.019 0.000 1.152 181 H CB -0.103 29.606 29.762 -0.088 0.000 1.407 181 H HN 0.413 nan 8.280 nan 0.000 0.564 182 Y N 1.581 121.812 120.300 -0.115 0.000 3.589 182 Y HA -0.306 4.244 4.550 -0.000 0.000 0.218 182 Y C -0.964 174.827 175.900 -0.183 0.000 1.234 182 Y CA 0.725 58.792 58.100 -0.056 0.000 1.576 182 Y CB -1.310 37.145 38.460 -0.009 0.000 1.487 182 Y HN 0.306 nan 8.280 nan 0.000 0.616 183 D N -0.787 119.310 120.400 -0.505 0.000 2.671 183 D HA 0.389 5.028 4.640 -0.000 0.000 0.273 183 D C -0.619 175.458 176.300 -0.371 0.000 1.264 183 D CA -0.458 53.358 54.000 -0.307 0.000 0.788 183 D CB 1.014 41.709 40.800 -0.175 0.000 1.324 183 D HN -0.045 nan 8.370 nan 0.000 0.424 184 I N 1.618 122.150 120.570 -0.062 0.000 2.692 184 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 184 I C 0.581 176.646 176.117 -0.086 0.000 1.159 184 I CA 0.050 61.338 61.300 -0.020 0.000 1.423 184 I CB 0.146 38.157 38.000 0.018 0.000 1.380 184 I HN 0.338 nan 8.210 nan 0.000 0.580 185 I N 7.752 128.273 120.570 -0.082 0.000 2.337 185 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 185 I C -1.998 174.084 176.117 -0.058 0.000 1.046 185 I CA -1.673 59.583 61.300 -0.072 0.000 1.324 185 I CB 0.520 38.486 38.000 -0.057 0.000 1.409 185 I HN 0.274 nan 8.210 nan 0.000 0.494 186 P HA 0.041 nan 4.420 nan 0.000 0.263 186 P C 0.929 178.206 177.300 -0.038 0.000 1.195 186 P CA 0.648 63.722 63.100 -0.045 0.000 0.762 186 P CB 0.631 32.302 31.700 -0.047 0.000 0.799 187 G N 2.263 111.044 108.800 -0.032 0.000 2.245 187 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 187 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 187 G C 0.496 175.378 174.900 -0.030 0.000 0.985 187 G CA 0.094 45.178 45.100 -0.026 0.000 0.625 187 G HN 0.871 nan 8.290 nan 0.000 0.536 188 A N 0.181 122.978 122.820 -0.038 0.000 2.371 188 A HA 0.676 4.996 4.320 -0.000 0.000 0.257 188 A C 0.333 177.886 177.584 -0.051 0.000 1.089 188 A CA 0.760 52.773 52.037 -0.039 0.000 0.794 188 A CB 0.340 19.316 19.000 -0.041 0.000 1.029 188 A HN 0.858 nan 8.150 nan 0.000 0.488 189 E N 0.870 121.045 120.200 -0.042 0.000 2.390 189 E HA 0.447 4.797 4.350 -0.000 0.000 0.277 189 E C -1.304 175.279 176.600 -0.028 0.000 0.939 189 E CA -0.781 55.592 56.400 -0.046 0.000 0.769 189 E CB 1.537 31.226 29.700 -0.018 0.000 1.251 189 E HN 0.630 nan 8.360 nan 0.000 0.450 190 Q N 1.765 121.546 119.800 -0.032 0.000 2.333 190 Q HA 0.390 4.730 4.340 -0.000 0.000 0.265 190 Q C -1.406 174.643 176.000 0.080 0.000 0.989 190 Q CA -0.718 55.091 55.803 0.010 0.000 0.842 190 Q CB 1.744 30.475 28.738 -0.012 0.000 1.262 190 Q HN 0.431 nan 8.270 nan 0.000 0.451 191 V N 4.456 124.425 119.914 0.092 0.000 2.407 191 V HA 0.343 4.463 4.120 -0.000 0.000 0.278 191 V C -0.242 175.950 176.094 0.163 0.000 1.037 191 V CA -0.632 61.753 62.300 0.142 0.000 0.900 191 V CB 1.514 33.381 31.823 0.073 0.000 0.983 191 V HN 0.553 nan 8.190 nan 0.000 0.459 192 V N 6.484 126.542 119.914 0.240 0.000 2.384 192 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 192 V C 0.132 176.296 176.094 0.116 0.000 1.020 192 V CA -0.682 61.725 62.300 0.179 0.000 0.850 192 V CB 1.573 33.552 31.823 0.261 0.000 0.987 192 V HN 0.824 nan 8.190 nan 0.000 0.436 193 R N 5.130 125.632 120.500 0.004 0.000 2.287 193 R HA 0.350 4.690 4.340 -0.000 0.000 0.316 193 R C 0.169 176.178 176.300 -0.485 0.000 1.050 193 R CA -0.611 55.421 56.100 -0.113 0.000 0.983 193 R CB 0.351 30.551 30.300 -0.166 0.000 1.140 193 R HN 1.045 nan 8.270 nan 0.000 0.528 194 H N -0.690 118.404 119.070 0.040 0.000 2.284 194 H HA -0.123 4.433 4.556 -0.000 0.000 0.322 194 H C -2.476 172.869 175.328 0.028 0.000 0.973 194 H CA -0.564 55.492 56.048 0.013 0.000 1.076 194 H CB -1.519 28.250 29.762 0.011 0.000 1.596 194 H HN 0.323 nan 8.280 nan 0.000 0.361 195 P HA 0.063 nan 4.420 nan 0.000 0.273 195 P C 0.904 178.243 177.300 0.064 0.000 1.250 195 P CA -0.304 62.804 63.100 0.012 0.000 0.793 195 P CB 0.848 32.565 31.700 0.027 0.000 1.011 196 D N -0.301 120.146 120.400 0.079 0.000 2.249 196 D HA 0.113 4.752 4.640 -0.000 0.000 0.205 196 D C 0.648 177.017 176.300 0.114 0.000 0.962 196 D CA 1.282 55.343 54.000 0.102 0.000 0.860 196 D CB 0.240 41.114 40.800 0.122 0.000 0.955 196 D HN 0.294 nan 8.370 nan 0.000 0.505 197 I N 0.914 121.546 120.570 0.103 0.000 2.656 197 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 197 I C -1.176 175.002 176.117 0.101 0.000 1.144 197 I CA -0.623 60.755 61.300 0.129 0.000 1.038 197 I CB 3.311 41.368 38.000 0.095 0.000 1.244 197 I HN -0.217 nan 8.210 nan 0.000 0.420 198 L N 7.052 128.339 121.223 0.107 0.000 2.376 198 L HA 0.614 4.954 4.340 -0.000 0.000 0.275 198 L C -1.099 175.819 176.870 0.081 0.000 0.987 198 L CA -0.563 54.333 54.840 0.094 0.000 0.828 198 L CB 1.622 43.732 42.059 0.085 0.000 1.249 198 L HN 0.558 nan 8.230 nan 0.000 0.409 199 I N 5.603 126.218 120.570 0.075 0.000 2.359 199 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 199 I C -0.431 175.716 176.117 0.051 0.000 0.987 199 I CA -0.477 60.845 61.300 0.035 0.000 1.225 199 I CB 1.931 39.955 38.000 0.041 0.000 1.366 199 I HN 0.417 nan 8.210 nan 0.000 0.466 200 L N 6.726 127.941 121.223 -0.014 0.000 2.319 200 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 200 L C -0.632 176.228 176.870 -0.016 0.000 1.005 200 L CA -0.241 54.624 54.840 0.041 0.000 0.828 200 L CB 1.580 43.699 42.059 0.101 0.000 1.227 200 L HN 0.657 nan 8.230 nan 0.000 0.415 201 E N 3.907 124.128 120.200 0.034 0.000 2.199 201 E HA 0.708 5.058 4.350 -0.000 0.000 0.265 201 E C -1.092 175.526 176.600 0.030 0.000 0.882 201 E CA -0.388 56.023 56.400 0.019 0.000 0.759 201 E CB 2.318 32.041 29.700 0.038 0.000 1.148 201 E HN 0.838 nan 8.360 nan 0.000 0.412 202 G N 2.762 111.561 108.800 -0.002 0.000 2.523 202 G HA2 0.185 4.145 3.960 -0.000 0.000 0.291 202 G HA3 0.185 4.145 3.960 -0.000 0.000 0.291 202 G C 0.381 175.246 174.900 -0.059 0.000 1.450 202 G CA -0.662 44.423 45.100 -0.025 0.000 0.790 202 G HN 0.491 nan 8.290 nan 0.000 0.496 203 L N -0.036 121.150 121.223 -0.062 0.000 2.046 203 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 203 L C 2.073 178.884 176.870 -0.098 0.000 1.077 203 L CA 1.014 55.815 54.840 -0.066 0.000 0.747 203 L CB -0.074 41.975 42.059 -0.017 0.000 0.896 203 L HN 0.457 nan 8.230 nan 0.000 0.432 204 N N -0.544 118.047 118.700 -0.182 0.000 2.236 204 N HA -0.003 4.737 4.740 -0.000 0.000 0.196 204 N C 1.833 177.283 175.510 -0.099 0.000 1.114 204 N CA 0.846 53.803 53.050 -0.155 0.000 0.859 204 N CB 0.492 38.854 38.487 -0.208 0.000 0.982 204 N HN 0.236 nan 8.380 nan 0.000 0.493 205 V N -0.136 119.744 119.914 -0.057 0.000 2.311 205 V HA -0.275 3.845 4.120 -0.000 0.000 0.259 205 V C 1.756 177.959 176.094 0.182 0.000 1.086 205 V CA 1.685 64.050 62.300 0.108 0.000 1.078 205 V CB -1.083 30.874 31.823 0.223 0.000 0.668 205 V HN 0.223 nan 8.190 nan 0.000 0.452 206 L N -0.204 121.112 121.223 0.155 0.000 2.591 206 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 206 L C 1.506 178.393 176.870 0.029 0.000 1.133 206 L CA 0.138 55.062 54.840 0.138 0.000 0.880 206 L CB -0.305 41.859 42.059 0.174 0.000 1.033 206 L HN 0.476 nan 8.230 nan 0.000 0.450 207 Q N 0.620 120.416 119.800 -0.007 0.000 2.349 207 Q HA 0.003 4.343 4.340 -0.000 0.000 0.287 207 Q C 0.088 176.055 176.000 -0.055 0.000 1.044 207 Q CA 0.713 56.500 55.803 -0.027 0.000 0.918 207 Q CB 0.993 29.709 28.738 -0.036 0.000 1.242 207 Q HN 0.044 nan 8.270 nan 0.000 0.405 208 T N 0.999 115.528 114.554 -0.042 0.000 2.927 208 T HA 0.871 5.221 4.350 -0.000 0.000 0.286 208 T C -0.486 174.191 174.700 -0.040 0.000 1.040 208 T CA 0.172 62.240 62.100 -0.053 0.000 1.010 208 T CB 1.696 70.537 68.868 -0.045 0.000 1.177 208 T HN 0.813 nan 8.240 nan 0.000 0.546 209 G N 1.021 109.796 108.800 -0.041 0.000 2.427 209 G HA2 0.452 4.412 3.960 -0.000 0.000 0.306 209 G HA3 0.452 4.412 3.960 -0.000 0.000 0.306 209 G C -2.320 172.563 174.900 -0.028 0.000 1.280 209 G CA -0.619 44.464 45.100 -0.029 0.000 0.837 209 G HN 0.528 nan 8.290 nan 0.000 0.482 210 P HA 0.173 nan 4.420 nan 0.000 0.230 210 P C 0.586 177.874 177.300 -0.021 0.000 1.158 210 P CA 1.129 64.218 63.100 -0.017 0.000 0.769 210 P CB 0.384 32.078 31.700 -0.010 0.000 0.807 211 T N -1.042 113.496 114.554 -0.026 0.000 2.930 211 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 211 T C -1.017 173.656 174.700 -0.044 0.000 1.052 211 T CA -0.935 61.148 62.100 -0.029 0.000 1.017 211 T CB 0.526 69.381 68.868 -0.022 0.000 1.137 211 T HN -0.312 nan 8.240 nan 0.000 0.511 212 L N 4.047 125.242 121.223 -0.047 0.000 2.477 212 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 212 L C -0.164 176.655 176.870 -0.084 0.000 1.157 212 L CA 0.868 55.669 54.840 -0.064 0.000 0.889 212 L CB -0.356 41.670 42.059 -0.054 0.000 1.158 212 L HN 0.697 nan 8.230 nan 0.000 0.473 213 M N 3.410 122.939 119.600 -0.118 0.000 2.762 213 M HA 0.239 4.719 4.480 -0.000 0.000 0.306 213 M C 1.145 177.301 176.300 -0.240 0.000 1.223 213 M CA -0.904 54.304 55.300 -0.153 0.000 0.896 213 M CB 1.566 34.079 32.600 -0.144 0.000 1.684 213 M HN 0.252 nan 8.290 nan 0.000 0.491 214 V N 0.801 120.548 119.914 -0.278 0.000 2.453 214 V HA -0.267 3.853 4.120 -0.000 0.000 0.252 214 V C 2.329 177.873 176.094 -0.916 0.000 1.068 214 V CA 2.855 64.908 62.300 -0.412 0.000 1.070 214 V CB -0.406 31.249 31.823 -0.279 0.000 0.664 214 V HN 1.073 nan 8.190 nan 0.000 0.461 215 S N -1.014 114.186 115.700 -0.834 0.000 2.419 215 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 215 S C 1.558 175.779 174.600 -0.631 0.000 1.016 215 S CA 1.464 59.061 58.200 -1.004 0.000 0.974 215 S CB -0.469 62.506 63.200 -0.376 0.000 0.786 215 S HN 0.704 nan 8.310 nan 0.000 0.492 216 D N 0.816 120.977 120.400 -0.399 0.000 2.348 216 D HA 0.077 4.717 4.640 -0.000 0.000 0.216 216 D C 0.938 177.130 176.300 -0.180 0.000 0.970 216 D CA 0.454 54.321 54.000 -0.221 0.000 0.889 216 D CB 0.051 40.760 40.800 -0.152 0.000 0.912 216 D HN 0.345 nan 8.370 nan 0.000 0.524 217 L N -0.254 120.811 121.223 -0.265 0.000 2.585 217 L HA 0.180 4.520 4.340 -0.000 0.000 0.226 217 L C 0.533 177.432 176.870 0.049 0.000 1.113 217 L CA 0.052 54.832 54.840 -0.100 0.000 0.876 217 L CB -0.349 41.654 42.059 -0.094 0.000 1.072 217 L HN -0.094 nan 8.230 nan 0.000 0.468 218 F N 0.550 120.464 119.950 -0.061 0.000 2.484 218 F HA 0.038 4.565 4.527 0.000 0.000 0.360 218 F C 1.294 177.013 175.800 -0.134 0.000 1.101 218 F CA -0.488 57.456 58.000 -0.093 0.000 1.251 218 F CB 0.901 39.863 39.000 -0.063 0.000 1.132 218 F HN 0.078 nan 8.300 nan 0.000 0.570 219 D N 2.505 122.851 120.400 -0.089 0.000 2.360 219 D HA 0.070 4.710 4.640 -0.000 0.000 0.210 219 D C -0.454 175.795 176.300 -0.084 0.000 1.047 219 D CA 0.791 54.623 54.000 -0.279 0.000 0.854 219 D CB 0.753 40.986 40.800 -0.945 0.000 0.936 219 D HN 0.309 nan 8.370 nan 0.000 0.514 220 F N 0.708 120.553 119.950 -0.176 0.000 2.704 220 F HA 0.242 4.769 4.527 -0.000 0.000 0.312 220 F C -1.597 174.172 175.800 -0.051 0.000 1.108 220 F CA -0.722 57.274 58.000 -0.007 0.000 1.005 220 F CB 1.314 40.408 39.000 0.157 0.000 1.277 220 F HN -0.201 nan 8.300 nan 0.000 0.445 221 S N 5.403 120.877 115.700 -0.376 0.000 2.556 221 S HA 0.909 5.379 4.470 -0.000 0.000 0.271 221 S C -1.681 172.801 174.600 -0.198 0.000 1.135 221 S CA -0.902 57.196 58.200 -0.171 0.000 0.858 221 S CB 1.948 65.109 63.200 -0.065 0.000 1.114 221 S HN 1.049 nan 8.310 nan 0.000 0.468 222 L N -0.011 121.206 121.223 -0.009 0.000 2.388 222 L HA 0.784 5.124 4.340 -0.000 0.000 0.264 222 L C -1.464 175.450 176.870 0.072 0.000 0.998 222 L CA -1.177 53.686 54.840 0.038 0.000 0.817 222 L CB 1.651 43.772 42.059 0.104 0.000 1.338 222 L HN 0.864 nan 8.230 nan 0.000 0.414 223 Y N 1.711 121.989 120.300 -0.037 0.000 2.350 223 Y HA 0.646 5.196 4.550 -0.000 0.000 0.338 223 Y C -0.930 174.960 175.900 -0.017 0.000 0.961 223 Y CA -0.812 57.276 58.100 -0.022 0.000 1.100 223 Y CB 1.992 40.433 38.460 -0.031 0.000 1.179 223 Y HN 0.441 nan 8.280 nan 0.000 0.454 224 V N 6.469 126.268 119.914 -0.191 0.000 2.368 224 V HA 0.202 4.322 4.120 -0.000 0.000 0.266 224 V C -0.424 175.659 176.094 -0.018 0.000 1.045 224 V CA -0.256 62.018 62.300 -0.044 0.000 0.899 224 V CB 0.857 32.661 31.823 -0.031 0.000 1.006 224 V HN 0.749 nan 8.190 nan 0.000 0.470 225 D N 3.481 123.994 120.400 0.189 0.000 2.340 225 D HA 0.883 5.523 4.640 -0.000 0.000 0.243 225 D C -0.354 176.033 176.300 0.145 0.000 0.988 225 D CA 0.025 54.182 54.000 0.261 0.000 0.959 225 D CB 2.215 43.208 40.800 0.321 0.000 1.226 225 D HN 0.821 nan 8.370 nan 0.000 0.509 226 A N 1.439 124.312 122.820 0.087 0.000 2.567 226 A HA 0.475 4.795 4.320 -0.000 0.000 0.291 226 A C -0.953 176.578 177.584 -0.089 0.000 1.048 226 A CA -0.780 51.244 52.037 -0.022 0.000 0.661 226 A CB 1.036 19.968 19.000 -0.115 0.000 1.288 226 A HN 0.454 nan 8.150 nan 0.000 0.424 227 R N 0.720 121.129 120.500 -0.151 0.000 2.522 227 R HA 0.097 4.437 4.340 -0.000 0.000 0.284 227 R C 1.167 177.356 176.300 -0.184 0.000 1.032 227 R CA 0.159 56.175 56.100 -0.140 0.000 1.049 227 R CB 0.235 30.446 30.300 -0.148 0.000 0.956 227 R HN 0.761 nan 8.270 nan 0.000 0.422 228 I N 3.356 123.877 120.570 -0.080 0.000 2.335 228 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 228 I C 1.721 177.786 176.117 -0.085 0.000 1.129 228 I CA 1.583 62.878 61.300 -0.008 0.000 1.402 228 I CB 0.165 38.213 38.000 0.081 0.000 1.069 228 I HN 0.636 nan 8.210 nan 0.000 0.424 229 E N 0.162 120.279 120.200 -0.139 0.000 2.150 229 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 229 E C 1.437 177.815 176.600 -0.370 0.000 0.985 229 E CA 1.049 57.332 56.400 -0.196 0.000 0.814 229 E CB -0.502 29.118 29.700 -0.132 0.000 0.752 229 E HN 0.572 nan 8.360 nan 0.000 0.466 230 D N 1.266 121.373 120.400 -0.487 0.000 2.123 230 D HA -0.015 4.625 4.640 -0.000 0.000 0.200 230 D C 2.233 177.747 176.300 -1.311 0.000 0.976 230 D CA 0.604 54.098 54.000 -0.843 0.000 0.831 230 D CB -0.169 40.084 40.800 -0.912 0.000 0.974 230 D HN 0.222 nan 8.370 nan 0.000 0.469 231 I N 1.075 121.044 120.570 -1.002 0.000 2.286 231 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 231 I C 2.459 178.122 176.117 -0.757 0.000 1.115 231 I CA 0.980 61.837 61.300 -0.738 0.000 1.392 231 I CB -0.255 37.597 38.000 -0.247 0.000 1.065 231 I HN 0.019 nan 8.210 nan 0.000 0.418 232 E N 1.032 120.611 120.200 -1.034 0.000 2.072 232 E HA -0.314 4.036 4.350 -0.000 0.000 0.191 232 E C 2.192 178.395 176.600 -0.663 0.000 0.985 232 E CA 1.290 56.801 56.400 -1.480 0.000 0.801 232 E CB 0.023 28.918 29.700 -1.340 0.000 0.750 232 E HN 0.327 nan 8.360 nan 0.000 0.452 233 Q N 0.217 119.728 119.800 -0.482 0.000 2.084 233 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 233 Q C 1.653 177.656 176.000 0.005 0.000 0.978 233 Q CA 2.119 57.789 55.803 -0.220 0.000 0.844 233 Q CB -0.539 28.079 28.738 -0.200 0.000 0.898 233 Q HN 0.423 nan 8.270 nan 0.000 0.426 234 W N -0.392 120.821 121.300 -0.145 0.000 2.381 234 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 234 W C 2.231 178.737 176.519 -0.022 0.000 1.205 234 W CA 0.774 58.093 57.345 -0.044 0.000 1.285 234 W CB -1.606 27.834 29.460 -0.033 0.000 1.133 234 W HN 0.306 nan 8.180 nan 0.000 0.521 235 Y N 1.035 121.347 120.300 0.020 0.000 2.114 235 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 235 Y C 2.431 178.355 175.900 0.040 0.000 1.143 235 Y CA 2.407 60.515 58.100 0.013 0.000 1.135 235 Y CB -0.837 37.551 38.460 -0.120 0.000 0.980 235 Y HN -0.262 nan 8.280 nan 0.000 0.499 236 V N -0.545 119.322 119.914 -0.079 0.000 2.287 236 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 236 V C 2.684 178.748 176.094 -0.050 0.000 1.053 236 V CA 2.205 64.432 62.300 -0.122 0.000 1.027 236 V CB -1.238 30.536 31.823 -0.081 0.000 0.646 236 V HN 0.555 nan 8.190 nan 0.000 0.447 237 S N -0.480 115.219 115.700 -0.002 0.000 2.368 237 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 237 S C 2.230 176.826 174.600 -0.007 0.000 1.030 237 S CA 1.936 60.151 58.200 0.024 0.000 0.999 237 S CB -0.351 62.892 63.200 0.072 0.000 0.844 237 S HN 0.548 nan 8.310 nan 0.000 0.459 238 R N -0.856 119.627 120.500 -0.028 0.000 2.096 238 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 238 R C 2.150 178.361 176.300 -0.149 0.000 1.127 238 R CA 1.636 57.682 56.100 -0.089 0.000 0.968 238 R CB -0.564 29.693 30.300 -0.073 0.000 0.861 238 R HN 0.561 nan 8.270 nan 0.000 0.440 239 F N 1.174 120.925 119.950 -0.331 0.000 2.095 239 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 239 F C 1.786 177.491 175.800 -0.157 0.000 1.104 239 F CA 1.482 59.300 58.000 -0.303 0.000 1.232 239 F CB -0.038 38.709 39.000 -0.421 0.000 0.987 239 F HN -0.011 nan 8.300 nan 0.000 0.475 240 L N -0.270 121.041 121.223 0.147 0.000 2.093 240 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 240 L C 2.761 179.608 176.870 -0.038 0.000 1.085 240 L CA 1.173 56.071 54.840 0.097 0.000 0.755 240 L CB -1.555 40.558 42.059 0.091 0.000 0.904 240 L HN 0.255 nan 8.230 nan 0.000 0.435 241 A N -0.097 122.667 122.820 -0.092 0.000 1.969 241 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 241 A C 2.275 179.722 177.584 -0.229 0.000 1.169 241 A CA 1.248 53.207 52.037 -0.131 0.000 0.635 241 A CB -0.393 18.531 19.000 -0.127 0.000 0.810 241 A HN 0.335 nan 8.150 nan 0.000 0.445 242 M N -1.091 118.268 119.600 -0.401 0.000 2.460 242 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 242 M C 2.027 177.994 176.300 -0.555 0.000 1.071 242 M CA 1.037 55.909 55.300 -0.713 0.000 1.096 242 M CB -0.316 31.408 32.600 -1.460 0.000 1.408 242 M HN 0.345 nan 8.290 nan 0.000 0.463 243 R N 0.087 120.466 120.500 -0.202 0.000 2.159 243 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 243 R C 1.854 178.158 176.300 0.006 0.000 1.131 243 R CA 1.818 57.942 56.100 0.041 0.000 0.982 243 R CB -0.584 29.755 30.300 0.066 0.000 0.868 243 R HN 0.453 nan 8.270 nan 0.000 0.453 244 T N -3.922 110.595 114.554 -0.062 0.000 3.092 244 T HA 0.163 4.512 4.350 -0.000 0.000 0.258 244 T C 1.023 175.681 174.700 -0.069 0.000 1.031 244 T CA 0.245 62.322 62.100 -0.038 0.000 0.925 244 T CB 0.441 69.291 68.868 -0.030 0.000 1.036 244 T HN 0.270 nan 8.240 nan 0.000 0.544 245 T N -0.637 113.837 114.554 -0.133 0.000 2.638 245 T HA 0.657 5.007 4.350 -0.000 0.000 0.169 245 T C 2.170 176.787 174.700 -0.139 0.000 0.790 245 T CA 0.440 62.456 62.100 -0.141 0.000 1.151 245 T CB -0.434 68.322 68.868 -0.187 0.000 2.581 245 T HN 0.074 nan 8.240 nan 0.000 0.391 246 A N 1.064 123.742 122.820 -0.237 0.000 1.892 246 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 246 A C 2.091 179.691 177.584 0.026 0.000 1.188 246 A CA 1.903 53.845 52.037 -0.160 0.000 0.631 246 A CB -1.466 17.387 19.000 -0.246 0.000 0.822 246 A HN 0.584 nan 8.150 nan 0.000 0.447 247 F N 0.111 120.037 119.950 -0.040 0.000 2.333 247 F HA 0.033 4.560 4.527 0.000 0.000 0.300 247 F C 2.617 178.494 175.800 0.129 0.000 1.083 247 F CA 0.001 58.004 58.000 0.006 0.000 1.395 247 F CB -1.145 37.789 39.000 -0.111 0.000 1.056 247 F HN 0.269 nan 8.300 nan 0.000 0.529 248 A N -1.003 121.954 122.820 0.227 0.000 2.121 248 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 248 A C 1.005 178.680 177.584 0.152 0.000 1.154 248 A CA 0.575 52.738 52.037 0.210 0.000 0.679 248 A CB -0.668 18.385 19.000 0.089 0.000 0.795 248 A HN 0.165 nan 8.150 nan 0.000 0.458 249 D N -0.470 119.980 120.400 0.082 0.000 2.348 249 D HA 0.212 4.852 4.640 -0.000 0.000 0.253 249 D C -1.815 174.339 176.300 -0.244 0.000 1.161 249 D CA -1.999 51.971 54.000 -0.049 0.000 0.876 249 D CB 1.303 42.086 40.800 -0.030 0.000 1.160 249 D HN -0.023 nan 8.370 nan 0.000 0.459 250 P HA -0.097 nan 4.420 nan 0.000 0.219 250 P C 0.711 177.844 177.300 -0.278 0.000 1.146 250 P CA 0.907 63.627 63.100 -0.634 0.000 0.808 250 P CB 0.384 31.887 31.700 -0.329 0.000 0.779 251 E N -0.805 119.321 120.200 -0.124 0.000 2.427 251 E HA -0.000 4.350 4.350 -0.000 0.000 0.196 251 E C 0.574 177.181 176.600 0.013 0.000 1.028 251 E CA 0.073 56.472 56.400 0.000 0.000 0.864 251 E CB -0.403 29.317 29.700 0.033 0.000 0.813 251 E HN 0.025 nan 8.360 nan 0.000 0.514 252 S N -0.688 115.012 115.700 0.000 0.000 2.549 252 S HA -0.073 4.397 4.470 -0.000 0.000 0.286 252 S C 1.000 175.661 174.600 0.102 0.000 1.314 252 S CA -0.302 57.947 58.200 0.082 0.000 1.062 252 S CB 0.591 63.913 63.200 0.204 0.000 0.865 252 S HN 0.383 nan 8.310 nan 0.000 0.498 253 H N 3.888 122.930 119.070 -0.047 0.000 2.421 253 H HA 0.057 4.613 4.556 -0.000 0.000 0.298 253 H C 0.305 175.330 175.328 -0.505 0.000 1.087 253 H CA 1.803 57.693 56.048 -0.264 0.000 1.330 253 H CB -0.066 29.457 29.762 -0.399 0.000 1.388 253 H HN 0.670 nan 8.280 nan 0.000 0.526 254 F N -0.696 119.147 119.950 -0.178 0.000 2.925 254 F HA 0.162 4.689 4.527 0.000 0.000 0.302 254 F C 1.397 176.742 175.800 -0.758 0.000 1.189 254 F CA -0.222 57.317 58.000 -0.768 0.000 1.346 254 F CB 0.006 38.474 39.000 -0.886 0.000 0.954 254 F HN 0.242 nan 8.300 nan 0.000 0.506 255 H N 0.461 119.368 119.070 -0.270 0.000 2.491 255 H HA -0.166 4.390 4.556 -0.000 0.000 0.290 255 H C 2.403 177.623 175.328 -0.180 0.000 1.050 255 H CA 2.031 58.003 56.048 -0.127 0.000 1.309 255 H CB -0.157 29.595 29.762 -0.016 0.000 1.392 255 H HN 0.403 nan 8.280 nan 0.000 0.554 256 H N -1.877 116.967 119.070 -0.376 0.000 2.491 256 H HA -0.151 4.405 4.556 0.000 0.000 0.290 256 H C 1.383 176.517 175.328 -0.324 0.000 1.050 256 H CA 1.188 57.031 56.048 -0.340 0.000 1.309 256 H CB -1.076 28.523 29.762 -0.270 0.000 1.392 256 H HN 0.538 nan 8.280 nan 0.000 0.554 257 Y N 1.342 121.068 120.300 -0.957 0.000 2.439 257 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 257 Y C 2.982 178.583 175.900 -0.498 0.000 1.130 257 Y CA 0.284 57.711 58.100 -1.121 0.000 1.254 257 Y CB 0.069 37.627 38.460 -1.503 0.000 1.000 257 Y HN 0.348 nan 8.280 nan 0.000 0.554 258 A N 0.409 123.139 122.820 -0.150 0.000 1.978 258 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 258 A C 2.258 179.881 177.584 0.065 0.000 1.170 258 A CA 1.788 53.831 52.037 0.009 0.000 0.636 258 A CB -0.837 18.151 19.000 -0.020 0.000 0.810 258 A HN 0.395 nan 8.150 nan 0.000 0.448 259 A N -1.661 121.214 122.820 0.092 0.000 2.208 259 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 259 A C 0.338 178.114 177.584 0.320 0.000 1.161 259 A CA -0.349 51.791 52.037 0.170 0.000 0.782 259 A CB -0.366 18.709 19.000 0.124 0.000 0.816 259 A HN 0.272 nan 8.150 nan 0.000 0.477 260 F N 1.556 121.556 119.950 0.083 0.000 2.553 260 F HA 0.238 4.765 4.527 -0.000 0.000 0.356 260 F C 1.509 177.357 175.800 0.079 0.000 1.142 260 F CA -0.477 57.586 58.000 0.105 0.000 1.322 260 F CB 0.519 39.618 39.000 0.165 0.000 1.126 260 F HN 0.213 nan 8.300 nan 0.000 0.599 261 S N 1.006 116.816 115.700 0.184 0.000 2.655 261 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 261 S C 0.782 175.466 174.600 0.139 0.000 1.240 261 S CA -0.738 57.532 58.200 0.116 0.000 0.986 261 S CB 0.873 64.101 63.200 0.048 0.000 0.985 261 S HN 0.534 nan 8.310 nan 0.000 0.562 262 D N 1.151 121.609 120.400 0.097 0.000 2.133 262 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 262 D C 2.085 178.433 176.300 0.081 0.000 0.997 262 D CA 1.802 55.856 54.000 0.090 0.000 0.840 262 D CB -0.713 40.121 40.800 0.057 0.000 0.947 262 D HN 0.549 nan 8.370 nan 0.000 0.452 263 S N -0.001 115.732 115.700 0.055 0.000 2.356 263 S HA -0.210 4.260 4.470 -0.000 0.000 0.223 263 S C 1.871 176.494 174.600 0.038 0.000 1.032 263 S CA 1.424 59.644 58.200 0.033 0.000 1.005 263 S CB -0.106 63.102 63.200 0.013 0.000 0.867 263 S HN 0.270 nan 8.310 nan 0.000 0.449 264 Q N 0.485 120.309 119.800 0.039 0.000 2.119 264 Q HA 0.030 4.370 4.340 -0.000 0.000 0.201 264 Q C 2.563 178.698 176.000 0.224 0.000 0.972 264 Q CA 1.359 57.173 55.803 0.019 0.000 0.847 264 Q CB -0.420 28.186 28.738 -0.220 0.000 0.903 264 Q HN 0.692 nan 8.270 nan 0.000 0.433 265 A N 0.614 123.625 122.820 0.319 0.000 1.877 265 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 265 A C 2.376 179.953 177.584 -0.012 0.000 1.186 265 A CA 1.384 53.609 52.037 0.315 0.000 0.620 265 A CB -0.792 18.425 19.000 0.363 0.000 0.822 265 A HN 0.209 nan 8.150 nan 0.000 0.443 266 V N -0.392 119.528 119.914 0.010 0.000 2.343 266 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 266 V C 2.586 178.634 176.094 -0.077 0.000 1.051 266 V CA 2.004 64.271 62.300 -0.056 0.000 1.036 266 V CB -0.753 31.063 31.823 -0.012 0.000 0.654 266 V HN 0.377 nan 8.190 nan 0.000 0.451 267 V N 0.179 120.079 119.914 -0.023 0.000 2.295 267 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 267 V C 2.692 178.769 176.094 -0.027 0.000 1.049 267 V CA 2.189 64.485 62.300 -0.008 0.000 1.024 267 V CB -1.094 30.739 31.823 0.018 0.000 0.648 267 V HN 0.572 nan 8.190 nan 0.000 0.447 268 A N -0.172 122.625 122.820 -0.038 0.000 1.877 268 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 268 A C 2.412 179.787 177.584 -0.348 0.000 1.186 268 A CA 2.130 54.111 52.037 -0.095 0.000 0.620 268 A CB -0.841 18.162 19.000 0.005 0.000 0.822 268 A HN 0.580 nan 8.150 nan 0.000 0.443 269 A N -0.490 121.901 122.820 -0.715 0.000 1.933 269 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 269 A C 2.246 179.810 177.584 -0.035 0.000 1.175 269 A CA 1.530 53.154 52.037 -0.688 0.000 0.628 269 A CB -0.442 17.972 19.000 -0.976 0.000 0.814 269 A HN 0.530 nan 8.150 nan 0.000 0.444 270 R N -0.978 119.501 120.500 -0.036 0.000 2.092 270 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 270 R C 2.212 178.599 176.300 0.146 0.000 1.119 270 R CA 1.444 57.600 56.100 0.092 0.000 0.970 270 R CB -0.148 30.174 30.300 0.037 0.000 0.864 270 R HN 0.585 nan 8.270 nan 0.000 0.440 271 E N 1.004 121.253 120.200 0.082 0.000 2.072 271 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 271 E C 1.669 178.337 176.600 0.114 0.000 0.985 271 E CA 1.203 57.659 56.400 0.093 0.000 0.801 271 E CB -0.078 29.669 29.700 0.078 0.000 0.750 271 E HN 0.276 nan 8.360 nan 0.000 0.452 272 I N -0.056 120.592 120.570 0.129 0.000 2.315 272 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 272 I C 2.333 178.501 176.117 0.085 0.000 1.117 272 I CA 0.942 62.329 61.300 0.145 0.000 1.404 272 I CB -0.462 37.662 38.000 0.207 0.000 1.071 272 I HN 0.335 nan 8.210 nan 0.000 0.419 273 W N 2.663 123.914 121.300 -0.082 0.000 2.355 273 W HA -0.220 4.440 4.660 -0.000 0.000 0.309 273 W C 2.678 179.146 176.519 -0.085 0.000 1.206 273 W CA 1.515 58.741 57.345 -0.199 0.000 1.284 273 W CB -0.260 29.112 29.460 -0.147 0.000 1.145 273 W HN 0.087 nan 8.180 nan 0.000 0.502 274 R N 0.191 120.727 120.500 0.059 0.000 2.075 274 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 274 R C 2.364 178.635 176.300 -0.048 0.000 1.126 274 R CA 2.519 58.616 56.100 -0.005 0.000 0.963 274 R CB -0.559 29.793 30.300 0.087 0.000 0.858 274 R HN 0.227 nan 8.270 nan 0.000 0.435 275 T N -2.830 111.727 114.554 0.006 0.000 3.051 275 T HA 0.165 4.515 4.350 -0.000 0.000 0.255 275 T C 1.728 176.477 174.700 0.081 0.000 1.085 275 T CA 0.359 62.488 62.100 0.049 0.000 1.109 275 T CB 0.180 69.104 68.868 0.092 0.000 0.921 275 T HN 0.197 nan 8.240 nan 0.000 0.488 276 I N 0.257 120.843 120.570 0.026 0.000 3.623 276 I HA 0.198 4.368 4.170 -0.000 0.000 0.253 276 I C 2.064 178.098 176.117 -0.137 0.000 1.144 276 I CA -0.181 61.186 61.300 0.110 0.000 1.461 276 I CB 0.080 38.179 38.000 0.164 0.000 1.575 276 I HN -0.016 nan 8.210 nan 0.000 0.445 277 N N 1.552 120.027 118.700 -0.375 0.000 2.142 277 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 277 N C 1.822 176.732 175.510 -1.000 0.000 1.023 277 N CA 1.252 53.899 53.050 -0.671 0.000 0.852 277 N CB -0.372 37.672 38.487 -0.738 0.000 0.998 277 N HN 0.262 nan 8.380 nan 0.000 0.424 278 R N 0.900 120.618 120.500 -1.303 0.000 2.066 278 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 278 R C -0.726 175.283 176.300 -0.484 0.000 1.131 278 R CA 1.202 56.665 56.100 -1.061 0.000 0.955 278 R CB -0.840 28.901 30.300 -0.931 0.000 0.851 278 R HN 0.149 nan 8.270 nan 0.000 0.432 279 P HA -0.134 nan 4.420 nan 0.000 0.215 279 P C 0.415 177.610 177.300 -0.174 0.000 1.153 279 P CA 1.409 64.446 63.100 -0.105 0.000 0.853 279 P CB -0.134 31.627 31.700 0.102 0.000 0.788 280 N N -0.770 117.652 118.700 -0.463 0.000 2.120 280 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 280 N C 1.547 176.826 175.510 -0.386 0.000 1.024 280 N CA 0.900 53.497 53.050 -0.755 0.000 0.852 280 N CB -0.983 36.775 38.487 -1.216 0.000 1.003 280 N HN -0.079 nan 8.380 nan 0.000 0.424 281 L N 0.098 121.118 121.223 -0.338 0.000 1.994 281 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 281 L C 2.051 178.858 176.870 -0.105 0.000 1.071 281 L CA 1.508 56.233 54.840 -0.190 0.000 0.745 281 L CB -0.886 41.059 42.059 -0.190 0.000 0.892 281 L HN 0.038 nan 8.230 nan 0.000 0.431 282 V N -0.125 119.718 119.914 -0.118 0.000 2.343 282 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 282 V C 2.495 178.564 176.094 -0.041 0.000 1.051 282 V CA 2.223 64.486 62.300 -0.061 0.000 1.036 282 V CB -0.641 31.146 31.823 -0.059 0.000 0.654 282 V HN 0.534 nan 8.190 nan 0.000 0.451 283 E N -0.370 119.803 120.200 -0.044 0.000 2.170 283 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 283 E C 1.739 178.335 176.600 -0.007 0.000 0.981 283 E CA 0.917 57.313 56.400 -0.006 0.000 0.830 283 E CB 0.021 29.746 29.700 0.042 0.000 0.775 283 E HN 0.601 nan 8.360 nan 0.000 0.470 284 N N -0.191 118.485 118.700 -0.040 0.000 2.503 284 N HA 0.134 4.874 4.740 -0.000 0.000 0.210 284 N C 1.847 177.349 175.510 -0.012 0.000 1.077 284 N CA 0.291 53.326 53.050 -0.025 0.000 0.855 284 N CB 0.639 39.101 38.487 -0.041 0.000 1.323 284 N HN 0.072 nan 8.380 nan 0.000 0.452 285 I N 1.416 121.975 120.570 -0.019 0.000 2.206 285 I HA -0.087 4.083 4.170 -0.000 0.000 0.239 285 I C 2.256 178.476 176.117 0.172 0.000 1.078 285 I CA 0.677 62.016 61.300 0.064 0.000 1.367 285 I CB -0.244 37.770 38.000 0.023 0.000 1.078 285 I HN -0.058 nan 8.210 nan 0.000 0.413 286 L N 0.969 122.261 121.223 0.116 0.000 2.013 286 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 286 L C -0.374 176.468 176.870 -0.047 0.000 1.073 286 L CA 1.857 56.727 54.840 0.049 0.000 0.753 286 L CB -1.632 40.434 42.059 0.011 0.000 0.890 286 L HN 0.164 nan 8.230 nan 0.000 0.432 287 P HA -0.161 nan 4.420 nan 0.000 0.226 287 P C 1.308 178.587 177.300 -0.034 0.000 1.146 287 P CA 1.550 64.630 63.100 -0.033 0.000 0.773 287 P CB -0.188 31.504 31.700 -0.014 0.000 0.772 288 T N -4.567 109.982 114.554 -0.008 0.000 3.081 288 T HA 0.081 4.430 4.350 -0.000 0.000 0.250 288 T C 1.792 176.462 174.700 -0.050 0.000 1.100 288 T CA -0.144 61.963 62.100 0.013 0.000 1.038 288 T CB -0.398 68.522 68.868 0.087 0.000 0.962 288 T HN -0.008 nan 8.240 nan 0.000 0.516 289 R N 1.817 122.159 120.500 -0.262 0.000 2.105 289 R HA -0.025 4.315 4.340 -0.000 0.000 0.239 289 R C -0.820 175.315 176.300 -0.275 0.000 1.135 289 R CA 1.480 57.226 56.100 -0.591 0.000 0.967 289 R CB -1.145 28.568 30.300 -0.979 0.000 0.861 289 R HN 0.357 nan 8.270 nan 0.000 0.442 290 P HA -0.124 nan 4.420 nan 0.000 0.218 290 P C 0.431 177.790 177.300 0.098 0.000 1.148 290 P CA 1.389 64.489 63.100 -0.001 0.000 0.822 290 P CB 0.002 31.719 31.700 0.028 0.000 0.784 291 R N -1.001 119.520 120.500 0.034 0.000 2.297 291 R HA 0.263 4.603 4.340 -0.000 0.000 0.197 291 R C 0.739 177.059 176.300 0.033 0.000 0.943 291 R CA -0.193 55.930 56.100 0.039 0.000 1.038 291 R CB -0.102 30.209 30.300 0.018 0.000 0.957 291 R HN 0.113 nan 8.270 nan 0.000 0.484 292 A N 0.595 123.432 122.820 0.028 0.000 2.477 292 A HA 0.097 4.417 4.320 -0.000 0.000 0.246 292 A C 1.066 178.613 177.584 -0.060 0.000 1.078 292 A CA -0.109 51.927 52.037 -0.001 0.000 0.770 292 A CB 0.495 19.523 19.000 0.047 0.000 1.011 292 A HN 0.169 nan 8.150 nan 0.000 0.494 293 T N 1.456 115.870 114.554 -0.234 0.000 2.708 293 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 293 T C 0.463 175.038 174.700 -0.209 0.000 1.037 293 T CA 1.629 63.517 62.100 -0.353 0.000 1.146 293 T CB -0.283 67.977 68.868 -1.013 0.000 0.865 293 T HN 0.493 nan 8.240 nan 0.000 0.435 294 L N 1.307 122.400 121.223 -0.217 0.000 2.409 294 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 294 L C -1.376 175.474 176.870 -0.034 0.000 0.980 294 L CA -0.875 53.931 54.840 -0.056 0.000 0.826 294 L CB 2.098 44.187 42.059 0.050 0.000 1.268 294 L HN -0.144 nan 8.230 nan 0.000 0.407 295 V N 6.054 125.942 119.914 -0.043 0.000 2.370 295 V HA 0.423 4.543 4.120 -0.000 0.000 0.283 295 V C -0.504 175.549 176.094 -0.069 0.000 1.023 295 V CA -0.560 61.731 62.300 -0.014 0.000 0.857 295 V CB 1.467 33.253 31.823 -0.062 0.000 0.985 295 V HN 0.473 nan 8.190 nan 0.000 0.443 296 L N 6.282 127.481 121.223 -0.039 0.000 2.259 296 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 296 L C 0.363 177.227 176.870 -0.010 0.000 1.051 296 L CA -0.162 54.620 54.840 -0.097 0.000 0.824 296 L CB 0.736 42.726 42.059 -0.115 0.000 1.206 296 L HN 0.523 nan 8.230 nan 0.000 0.429 297 R N 2.831 123.318 120.500 -0.023 0.000 2.234 297 R HA 0.401 4.741 4.340 -0.000 0.000 0.324 297 R C -0.308 176.022 176.300 0.049 0.000 1.054 297 R CA -0.167 55.947 56.100 0.023 0.000 0.912 297 R CB 0.803 31.104 30.300 0.003 0.000 1.030 297 R HN 0.383 nan 8.270 nan 0.000 0.455 298 K N 1.792 122.256 120.400 0.108 0.000 2.164 298 K HA 0.262 4.582 4.320 -0.000 0.000 0.258 298 K C -0.575 176.131 176.600 0.177 0.000 0.951 298 K CA -0.860 55.530 56.287 0.171 0.000 0.844 298 K CB 1.400 34.083 32.500 0.305 0.000 1.099 298 K HN 0.457 nan 8.250 nan 0.000 0.435 299 D N 0.442 120.945 120.400 0.173 0.000 2.451 299 D HA 0.110 4.749 4.640 -0.000 0.000 0.259 299 D C 1.140 177.596 176.300 0.259 0.000 1.201 299 D CA -0.202 53.887 54.000 0.148 0.000 1.028 299 D CB 0.980 41.845 40.800 0.108 0.000 1.095 299 D HN 0.574 nan 8.370 nan 0.000 0.539 300 A N 0.553 123.484 122.820 0.185 0.000 2.032 300 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 300 A C 1.172 178.992 177.584 0.394 0.000 1.165 300 A CA 1.929 54.116 52.037 0.250 0.000 0.645 300 A CB -0.471 18.598 19.000 0.114 0.000 0.807 300 A HN 0.588 nan 8.150 nan 0.000 0.453 301 D N -3.139 117.413 120.400 0.254 0.000 2.319 301 D HA 0.137 4.777 4.640 -0.000 0.000 0.230 301 D C 0.359 176.790 176.300 0.219 0.000 1.094 301 D CA 0.337 54.468 54.000 0.218 0.000 0.856 301 D CB -0.689 40.190 40.800 0.131 0.000 0.915 301 D HN 0.615 nan 8.370 nan 0.000 0.517 302 H N -1.892 117.184 119.070 0.011 0.000 3.642 302 H HA -0.186 4.370 4.556 -0.000 0.000 0.185 302 H C 0.163 175.465 175.328 -0.043 0.000 0.992 302 H CA 0.895 56.793 56.048 -0.249 0.000 1.216 302 H CB -2.021 27.432 29.762 -0.516 0.000 1.055 302 H HN 0.231 nan 8.280 nan 0.000 0.351 303 S N 0.516 116.294 115.700 0.130 0.000 2.533 303 S HA 0.316 4.786 4.470 -0.000 0.000 0.282 303 S C 0.534 175.192 174.600 0.097 0.000 1.304 303 S CA -0.517 57.743 58.200 0.099 0.000 1.063 303 S CB 0.211 63.462 63.200 0.084 0.000 0.881 303 S HN 0.323 nan 8.310 nan 0.000 0.493 304 I N 5.839 126.456 120.570 0.079 0.000 2.291 304 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 304 I C 0.523 176.656 176.117 0.027 0.000 1.064 304 I CA -0.285 61.040 61.300 0.043 0.000 1.269 304 I CB 0.489 38.493 38.000 0.008 0.000 1.418 304 I HN 0.651 nan 8.210 nan 0.000 0.485 305 N N 6.550 125.268 118.700 0.030 0.000 2.197 305 N HA 0.270 5.010 4.740 -0.000 0.000 0.228 305 N C -0.187 175.343 175.510 0.033 0.000 1.212 305 N CA -0.092 52.981 53.050 0.039 0.000 0.883 305 N CB 0.938 39.457 38.487 0.053 0.000 1.107 305 N HN 0.546 nan 8.380 nan 0.000 0.519 306 R N -0.035 120.464 120.500 -0.002 0.000 2.643 306 R HA 0.588 4.928 4.340 -0.000 0.000 0.269 306 R C -1.505 174.754 176.300 -0.068 0.000 1.037 306 R CA -0.587 55.515 56.100 0.004 0.000 0.894 306 R CB 1.805 32.112 30.300 0.013 0.000 1.238 306 R HN -0.130 nan 8.270 nan 0.000 0.459 307 L N 0.830 122.034 121.223 -0.032 0.000 2.466 307 L HA 0.578 4.918 4.340 -0.000 0.000 0.258 307 L C -0.818 176.095 176.870 0.072 0.000 0.973 307 L CA -0.576 54.189 54.840 -0.124 0.000 0.826 307 L CB 2.213 43.965 42.059 -0.512 0.000 1.372 307 L HN 0.423 nan 8.230 nan 0.000 0.409 308 R N 1.984 122.495 120.500 0.019 0.000 2.435 308 R HA 0.680 5.020 4.340 -0.000 0.000 0.308 308 R C -1.832 174.556 176.300 0.147 0.000 0.975 308 R CA -0.730 55.417 56.100 0.079 0.000 0.867 308 R CB 1.548 31.789 30.300 -0.098 0.000 1.171 308 R HN 0.607 nan 8.270 nan 0.000 0.470 309 L N 3.523 124.943 121.223 0.328 0.000 2.309 309 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 309 L C -0.488 176.576 176.870 0.323 0.000 1.036 309 L CA -0.310 54.732 54.840 0.336 0.000 0.806 309 L CB 1.369 43.738 42.059 0.517 0.000 1.220 309 L HN 0.515 nan 8.230 nan 0.000 0.429 310 R N 4.088 124.724 120.500 0.226 0.000 2.205 310 R HA 0.199 4.539 4.340 -0.000 0.000 0.342 310 R C 0.665 177.014 176.300 0.082 0.000 1.058 310 R CA -0.170 56.005 56.100 0.126 0.000 0.904 310 R CB 0.678 31.005 30.300 0.045 0.000 1.089 310 R HN 0.746 nan 8.270 nan 0.000 0.471 311 K N 2.608 123.046 120.400 0.063 0.000 2.262 311 K HA 0.081 4.401 4.320 -0.000 0.000 0.200 311 K C 0.547 177.151 176.600 0.007 0.000 1.049 311 K CA 0.563 56.889 56.287 0.065 0.000 0.979 311 K CB 0.470 33.015 32.500 0.074 0.000 0.773 311 K HN 0.274 nan 8.250 nan 0.000 0.474 312 L N 0.000 121.189 121.223 -0.057 0.000 2.949 312 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 312 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 312 L CB 0.000 41.996 42.059 -0.105 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502