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 2bvc_1_E DATA FIRST_RESID 4 DATA SEQUENCE KTPDDVFKLA KDEKVEYVDV RFCDLPGIMQ HFTIPASAFD KSVFDDGLAF DATA SEQUENCE DGSSIRGFQS IHESDMLLLP DPETARIDPF RAAKTLNINF FVHDPFTLEP DATA SEQUENCE YSRDPRNIAR KAENYLISTG IADTAYFGAE AEFYIFDSVS FDSRANGSFY DATA SEQUENCE EVDAISGWWN TGAATEADGS PNRGYKVRHK GGYFPVAPND QYVDLRDKML DATA SEQUENCE TNLINSGFIL EKGHHEVGSG GQAEINYQFN SLLHAADDMQ LYKYIIKNTA DATA SEQUENCE WQNGKTVTFM PKPLFGDNGS GMHCHQSLWK DGAPLMYDET GYAGLSDTAR DATA SEQUENCE HYIGGLLHHA PSLLAFTNPT VNSYKRLVPG YEAPINLVYS QRNRSACVRI DATA SEQUENCE PITGSNPKAK RLEFRSPDSS GNPYLAFSAM LMAGLDGIKN KIEPQAPVDK DATA SEQUENCE DLYELPPEEA ASIPQTPTQL SDVIDRLEAD HEYLTEGGVF TNDLIETWIS DATA SEQUENCE FKRENEIEPV NIRPHPYEFA LYYDV 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.585 176.600 -0.025 0.000 0.988 4 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 4 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 5 T N 0.581 115.100 114.554 -0.057 0.000 2.952 5 T HA 0.418 4.767 4.350 -0.000 0.000 0.286 5 T C -1.986 172.584 174.700 -0.216 0.000 1.024 5 T CA -2.239 59.798 62.100 -0.105 0.000 1.029 5 T CB 1.136 69.948 68.868 -0.093 0.000 1.094 5 T HN 0.124 nan 8.240 nan 0.000 0.515 6 P HA -0.102 nan 4.420 nan 0.000 0.217 6 P C 0.913 177.838 177.300 -0.625 0.000 1.151 6 P CA 1.149 63.690 63.100 -0.933 0.000 0.849 6 P CB 0.131 31.151 31.700 -1.134 0.000 0.787 7 D N -1.120 119.133 120.400 -0.246 0.000 2.144 7 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 7 D C 1.461 177.746 176.300 -0.025 0.000 0.978 7 D CA 0.976 54.958 54.000 -0.030 0.000 0.833 7 D CB -0.564 40.231 40.800 -0.008 0.000 0.961 7 D HN 0.144 nan 8.370 nan 0.000 0.470 8 D N 0.060 120.418 120.400 -0.071 0.000 2.144 8 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 8 D C 2.266 178.553 176.300 -0.021 0.000 0.984 8 D CA 0.458 54.437 54.000 -0.035 0.000 0.834 8 D CB -0.111 40.665 40.800 -0.040 0.000 0.955 8 D HN 0.110 nan 8.370 nan 0.000 0.465 9 V N 0.549 120.411 119.914 -0.086 0.000 2.379 9 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 9 V C 2.145 178.290 176.094 0.085 0.000 1.044 9 V CA 1.115 63.403 62.300 -0.020 0.000 1.036 9 V CB -0.628 31.199 31.823 0.006 0.000 0.664 9 V HN 0.024 nan 8.190 nan 0.000 0.453 10 F N 0.873 120.886 119.950 0.105 0.000 2.171 10 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 10 F C 2.402 178.243 175.800 0.068 0.000 1.090 10 F CA 1.716 59.763 58.000 0.077 0.000 1.293 10 F CB -0.696 38.264 39.000 -0.067 0.000 1.013 10 F HN 0.081 nan 8.300 nan 0.000 0.486 11 K N 0.313 120.840 120.400 0.211 0.000 2.057 11 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 11 K C 2.151 178.812 176.600 0.101 0.000 1.050 11 K CA 1.120 57.480 56.287 0.121 0.000 0.935 11 K CB -0.435 32.108 32.500 0.072 0.000 0.715 11 K HN 0.206 nan 8.250 nan 0.000 0.439 12 L N 0.951 122.231 121.223 0.094 0.000 2.046 12 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 12 L C 2.174 179.099 176.870 0.092 0.000 1.077 12 L CA 2.070 56.953 54.840 0.072 0.000 0.747 12 L CB -0.634 41.455 42.059 0.050 0.000 0.896 12 L HN 0.218 nan 8.230 nan 0.000 0.432 13 A N -0.825 122.087 122.820 0.154 0.000 1.930 13 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 13 A C 2.456 180.119 177.584 0.132 0.000 1.175 13 A CA 1.863 54.000 52.037 0.167 0.000 0.627 13 A CB -0.560 18.630 19.000 0.316 0.000 0.815 13 A HN 0.488 nan 8.150 nan 0.000 0.443 14 K N -0.465 120.017 120.400 0.137 0.000 2.001 14 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 14 K C 1.318 177.951 176.600 0.056 0.000 1.048 14 K CA 1.620 57.961 56.287 0.088 0.000 0.932 14 K CB -0.210 32.338 32.500 0.080 0.000 0.715 14 K HN 0.351 nan 8.250 nan 0.000 0.437 15 D N 0.844 121.275 120.400 0.053 0.000 2.178 15 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 15 D C 1.446 177.762 176.300 0.027 0.000 0.980 15 D CA 0.980 55.000 54.000 0.034 0.000 0.842 15 D CB 0.031 40.849 40.800 0.029 0.000 0.948 15 D HN 0.255 nan 8.370 nan 0.000 0.472 16 E N 0.389 120.609 120.200 0.032 0.000 2.489 16 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 16 E C 0.139 176.751 176.600 0.019 0.000 1.057 16 E CA -0.002 56.411 56.400 0.022 0.000 0.866 16 E CB 0.268 29.981 29.700 0.021 0.000 0.916 16 E HN 0.295 nan 8.360 nan 0.000 0.500 17 K N 0.475 120.888 120.400 0.022 0.000 3.150 17 K HA -0.147 4.173 4.320 -0.000 0.000 0.267 17 K C -0.368 176.234 176.600 0.002 0.000 1.028 17 K CA 0.133 56.428 56.287 0.013 0.000 0.753 17 K CB -1.849 30.655 32.500 0.007 0.000 1.288 17 K HN -0.031 nan 8.250 nan 0.000 0.473 18 V N 1.436 121.358 119.914 0.012 0.000 2.529 18 V HA -0.077 4.043 4.120 -0.000 0.000 0.292 18 V C 1.697 177.756 176.094 -0.059 0.000 1.028 18 V CA 0.712 63.012 62.300 -0.001 0.000 1.074 18 V CB 1.095 32.932 31.823 0.024 0.000 0.958 18 V HN 0.345 nan 8.190 nan 0.000 0.481 19 E N 3.260 123.383 120.200 -0.129 0.000 2.140 19 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 19 E C -0.792 175.400 176.600 -0.681 0.000 0.973 19 E CA 0.777 56.935 56.400 -0.402 0.000 0.829 19 E CB 0.345 29.782 29.700 -0.439 0.000 0.781 19 E HN 0.709 nan 8.360 nan 0.000 0.466 20 Y N -0.694 119.621 120.300 0.025 0.000 2.524 20 Y HA 0.414 4.964 4.550 -0.000 0.000 0.347 20 Y C -0.560 175.312 175.900 -0.046 0.000 1.005 20 Y CA -1.190 56.916 58.100 0.009 0.000 1.025 20 Y CB 1.703 40.174 38.460 0.018 0.000 1.275 20 Y HN -0.336 nan 8.280 nan 0.000 0.460 21 V N 1.888 121.848 119.914 0.076 0.000 2.448 21 V HA 0.274 4.393 4.120 -0.000 0.000 0.295 21 V C -1.027 175.009 176.094 -0.096 0.000 1.025 21 V CA -0.797 61.429 62.300 -0.124 0.000 0.859 21 V CB 1.638 33.214 31.823 -0.412 0.000 0.988 21 V HN 0.725 nan 8.190 nan 0.000 0.431 22 D N 3.507 123.835 120.400 -0.119 0.000 2.317 22 D HA 0.422 5.062 4.640 -0.000 0.000 0.234 22 D C -0.493 175.658 176.300 -0.247 0.000 1.112 22 D CA -0.126 53.790 54.000 -0.140 0.000 0.840 22 D CB 1.561 42.308 40.800 -0.087 0.000 1.078 22 D HN 0.299 nan 8.370 nan 0.000 0.486 23 V N 5.614 125.237 119.914 -0.486 0.000 2.408 23 V HA 0.381 4.501 4.120 -0.000 0.000 0.267 23 V C 0.482 176.217 176.094 -0.598 0.000 1.047 23 V CA -0.275 61.556 62.300 -0.782 0.000 0.937 23 V CB 0.611 31.480 31.823 -1.589 0.000 0.999 23 V HN 0.474 nan 8.190 nan 0.000 0.472 24 R N 4.937 125.269 120.500 -0.281 0.000 2.740 24 R HA 0.825 5.165 4.340 -0.000 0.000 0.282 24 R C -1.029 175.278 176.300 0.012 0.000 0.969 24 R CA -0.513 55.475 56.100 -0.187 0.000 0.918 24 R CB 2.451 32.635 30.300 -0.193 0.000 1.175 24 R HN 0.703 nan 8.270 nan 0.000 0.464 25 F N -1.860 117.962 119.950 -0.213 0.000 2.711 25 F HA 0.579 5.106 4.527 -0.000 0.000 0.313 25 F C -1.172 174.540 175.800 -0.147 0.000 1.141 25 F CA -1.359 56.537 58.000 -0.173 0.000 0.941 25 F CB 0.913 39.809 39.000 -0.175 0.000 1.349 25 F HN 0.435 nan 8.300 nan 0.000 0.464 26 C N 2.949 122.264 119.300 0.025 0.000 2.319 26 C HA 0.561 5.021 4.460 -0.000 0.000 0.335 26 C C -0.358 174.672 174.990 0.066 0.000 1.274 26 C CA -0.416 58.579 59.018 -0.039 0.000 1.806 26 C CB -0.341 27.376 27.740 -0.037 0.000 2.329 26 C HN 0.899 nan 8.230 nan 0.000 0.524 27 D N 3.579 123.909 120.400 -0.116 0.000 2.377 27 D HA 0.066 4.705 4.640 -0.000 0.000 0.245 27 D C 0.928 177.261 176.300 0.055 0.000 1.196 27 D CA -0.652 53.243 54.000 -0.175 0.000 0.962 27 D CB 0.410 41.025 40.800 -0.309 0.000 1.127 27 D HN 0.342 nan 8.370 nan 0.000 0.471 28 L N 0.628 121.919 121.223 0.113 0.000 2.017 28 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 28 L C -0.961 176.070 176.870 0.268 0.000 1.073 28 L CA 1.786 56.767 54.840 0.235 0.000 0.745 28 L CB -1.533 40.687 42.059 0.268 0.000 0.894 28 L HN 0.436 nan 8.230 nan 0.000 0.432 29 P HA 0.003 nan 4.420 nan 0.000 0.218 29 P C 0.612 178.026 177.300 0.189 0.000 1.149 29 P CA 1.862 65.006 63.100 0.074 0.000 0.817 29 P CB -0.010 31.585 31.700 -0.176 0.000 0.785 30 G N -3.206 105.658 108.800 0.108 0.000 2.276 30 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.177 30 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.177 30 G C -0.239 174.675 174.900 0.024 0.000 1.017 30 G CA -0.590 44.568 45.100 0.096 0.000 0.750 30 G HN 0.061 nan 8.290 nan 0.000 0.506 31 I N 2.365 122.921 120.570 -0.023 0.000 2.353 31 I HA 0.469 4.639 4.170 -0.000 0.000 0.293 31 I C 0.695 176.732 176.117 -0.133 0.000 0.992 31 I CA -0.845 60.412 61.300 -0.071 0.000 1.268 31 I CB 1.148 39.103 38.000 -0.075 0.000 1.387 31 I HN -0.032 nan 8.210 nan 0.000 0.478 32 M N 5.520 125.034 119.600 -0.143 0.000 2.238 32 M HA 0.178 4.658 4.480 -0.000 0.000 0.347 32 M C 0.159 176.264 176.300 -0.325 0.000 1.173 32 M CA 0.020 55.182 55.300 -0.231 0.000 1.147 32 M CB 0.313 32.795 32.600 -0.197 0.000 1.547 32 M HN 0.416 nan 8.290 nan 0.000 0.455 33 Q N 2.146 121.609 119.800 -0.561 0.000 2.348 33 Q HA 0.600 4.940 4.340 -0.000 0.000 0.271 33 Q C -0.825 174.856 176.000 -0.532 0.000 1.067 33 Q CA -0.541 54.867 55.803 -0.659 0.000 0.839 33 Q CB 2.402 30.380 28.738 -1.266 0.000 1.354 33 Q HN 0.881 nan 8.270 nan 0.000 0.447 34 H N -1.149 117.661 119.070 -0.432 0.000 3.046 34 H HA 0.721 5.277 4.556 -0.000 0.000 0.363 34 H C -1.436 173.823 175.328 -0.114 0.000 1.203 34 H CA -0.950 54.899 56.048 -0.332 0.000 1.169 34 H CB 1.110 30.689 29.762 -0.305 0.000 1.851 34 H HN 0.500 nan 8.280 nan 0.000 0.546 35 F N -0.484 119.283 119.950 -0.305 0.000 2.629 35 F HA 0.777 5.304 4.527 -0.000 0.000 0.316 35 F C -1.310 174.392 175.800 -0.164 0.000 1.081 35 F CA -1.046 56.760 58.000 -0.324 0.000 0.954 35 F CB 1.961 40.838 39.000 -0.204 0.000 1.337 35 F HN 0.590 nan 8.300 nan 0.000 0.474 36 T N 3.360 117.964 114.554 0.083 0.000 2.823 36 T HA 0.661 5.011 4.350 -0.000 0.000 0.279 36 T C -0.350 174.448 174.700 0.164 0.000 0.998 36 T CA -0.522 61.606 62.100 0.047 0.000 0.994 36 T CB 1.251 70.105 68.868 -0.023 0.000 0.960 36 T HN 0.739 nan 8.240 nan 0.000 0.448 37 I N 1.031 121.698 120.570 0.162 0.000 2.693 37 I HA 0.733 4.902 4.170 -0.000 0.000 0.303 37 I C -2.744 173.552 176.117 0.299 0.000 1.025 37 I CA -3.291 58.145 61.300 0.226 0.000 1.086 37 I CB 2.237 40.375 38.000 0.229 0.000 1.268 37 I HN 0.296 nan 8.210 nan 0.000 0.440 38 P HA 0.098 nan 4.420 nan 0.000 0.272 38 P C 0.478 177.870 177.300 0.153 0.000 1.223 38 P CA -0.145 63.103 63.100 0.247 0.000 0.784 38 P CB 1.335 33.146 31.700 0.185 0.000 0.923 39 A N 3.021 125.865 122.820 0.039 0.000 1.948 39 A HA -0.219 4.100 4.320 -0.000 0.000 0.220 39 A C 2.224 179.912 177.584 0.175 0.000 1.177 39 A CA 2.510 54.617 52.037 0.117 0.000 0.636 39 A CB -1.786 17.231 19.000 0.028 0.000 0.815 39 A HN 0.678 nan 8.150 nan 0.000 0.449 40 S N -0.591 115.168 115.700 0.098 0.000 2.469 40 S HA 0.200 4.670 4.470 -0.000 0.000 0.238 40 S C 1.546 176.217 174.600 0.118 0.000 0.998 40 S CA 1.073 59.325 58.200 0.086 0.000 0.957 40 S CB -0.332 62.898 63.200 0.050 0.000 0.764 40 S HN 0.980 nan 8.310 nan 0.000 0.514 41 A N 0.001 122.925 122.820 0.174 0.000 2.348 41 A HA 0.464 4.784 4.320 -0.000 0.000 0.224 41 A C 0.299 178.065 177.584 0.303 0.000 1.227 41 A CA -0.466 51.687 52.037 0.194 0.000 0.885 41 A CB -0.352 18.757 19.000 0.182 0.000 0.933 41 A HN 0.514 nan 8.150 nan 0.000 0.506 42 F N 2.840 122.891 119.950 0.168 0.000 2.406 42 F HA 0.456 4.982 4.527 -0.000 0.000 0.358 42 F C -0.299 175.707 175.800 0.342 0.000 1.161 42 F CA -1.835 56.327 58.000 0.270 0.000 1.185 42 F CB -0.130 39.037 39.000 0.277 0.000 1.421 42 F HN 0.378 nan 8.300 nan 0.000 0.576 43 D N 2.659 123.109 120.400 0.084 0.000 2.801 43 D HA 0.284 4.924 4.640 -0.000 0.000 0.277 43 D C 0.599 177.009 176.300 0.184 0.000 1.125 43 D CA -0.663 53.295 54.000 -0.070 0.000 1.102 43 D CB 0.685 41.441 40.800 -0.073 0.000 1.400 43 D HN 0.162 nan 8.370 nan 0.000 0.601 44 K N -0.496 119.947 120.400 0.071 0.000 2.211 44 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 44 K C 1.806 178.549 176.600 0.238 0.000 1.050 44 K CA 1.036 57.454 56.287 0.217 0.000 0.945 44 K CB -0.182 32.347 32.500 0.048 0.000 0.732 44 K HN 0.321 nan 8.250 nan 0.000 0.451 45 S N 0.773 116.565 115.700 0.153 0.000 2.399 45 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 45 S C 1.953 176.653 174.600 0.167 0.000 1.022 45 S CA 0.908 59.188 58.200 0.133 0.000 0.983 45 S CB -0.115 63.140 63.200 0.092 0.000 0.803 45 S HN 0.064 nan 8.310 nan 0.000 0.480 46 V N 0.914 120.958 119.914 0.216 0.000 2.343 46 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 46 V C 2.014 178.154 176.094 0.077 0.000 1.051 46 V CA 1.991 64.403 62.300 0.187 0.000 1.036 46 V CB -0.857 31.123 31.823 0.261 0.000 0.654 46 V HN 0.527 nan 8.190 nan 0.000 0.451 47 F N 0.130 120.142 119.950 0.103 0.000 2.206 47 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 47 F C 2.281 178.096 175.800 0.025 0.000 1.090 47 F CA 1.424 59.447 58.000 0.039 0.000 1.323 47 F CB -0.386 38.614 39.000 0.001 0.000 1.028 47 F HN 0.194 nan 8.300 nan 0.000 0.492 48 D N -0.239 120.287 120.400 0.210 0.000 2.120 48 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 48 D C 1.523 177.860 176.300 0.062 0.000 0.972 48 D CA 1.378 55.444 54.000 0.110 0.000 0.837 48 D CB -0.263 40.591 40.800 0.090 0.000 0.989 48 D HN 0.252 nan 8.370 nan 0.000 0.469 49 D N -0.547 119.894 120.400 0.068 0.000 2.380 49 D HA 0.232 4.872 4.640 -0.000 0.000 0.212 49 D C 1.379 177.704 176.300 0.042 0.000 1.021 49 D CA 0.791 54.816 54.000 0.041 0.000 0.884 49 D CB 1.288 42.112 40.800 0.041 0.000 1.001 49 D HN 0.219 nan 8.370 nan 0.000 0.506 50 G N 0.696 109.542 108.800 0.077 0.000 2.725 50 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 50 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 50 G C -0.951 174.027 174.900 0.130 0.000 1.357 50 G CA -0.603 44.564 45.100 0.112 0.000 0.866 50 G HN 0.184 nan 8.290 nan 0.000 0.548 51 L N -0.181 121.139 121.223 0.161 0.000 2.401 51 L HA 0.777 5.116 4.340 -0.000 0.000 0.266 51 L C 0.657 177.613 176.870 0.144 0.000 0.991 51 L CA -0.594 54.341 54.840 0.158 0.000 0.818 51 L CB 2.166 44.377 42.059 0.253 0.000 1.321 51 L HN 1.321 nan 8.230 nan 0.000 0.413 52 A N 2.318 125.170 122.820 0.054 0.000 2.303 52 A HA 0.900 5.220 4.320 -0.000 0.000 0.317 52 A C -0.892 176.711 177.584 0.030 0.000 1.149 52 A CA -0.255 51.779 52.037 -0.004 0.000 0.822 52 A CB 0.760 19.699 19.000 -0.102 0.000 1.131 52 A HN 0.637 nan 8.150 nan 0.000 0.493 53 F N -0.604 119.249 119.950 -0.161 0.000 2.754 53 F HA 0.654 5.181 4.527 -0.000 0.000 0.320 53 F C -0.912 174.830 175.800 -0.096 0.000 1.156 53 F CA -1.247 56.664 58.000 -0.148 0.000 0.950 53 F CB 1.162 40.130 39.000 -0.053 0.000 1.388 53 F HN 0.404 nan 8.300 nan 0.000 0.485 54 D N 0.848 121.246 120.400 -0.003 0.000 2.393 54 D HA 0.296 4.935 4.640 -0.000 0.000 0.232 54 D C 1.169 177.462 176.300 -0.013 0.000 1.192 54 D CA 0.133 54.086 54.000 -0.078 0.000 0.882 54 D CB 1.192 42.006 40.800 0.023 0.000 1.038 54 D HN 0.855 nan 8.370 nan 0.000 0.499 55 G N 2.242 110.871 108.800 -0.286 0.000 2.470 55 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 55 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 55 G C 1.518 176.511 174.900 0.155 0.000 1.121 55 G CA 0.350 45.447 45.100 -0.004 0.000 0.766 55 G HN 0.495 nan 8.290 nan 0.000 0.553 56 S N 0.623 116.363 115.700 0.066 0.000 2.382 56 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 56 S C 2.503 177.168 174.600 0.108 0.000 1.027 56 S CA 1.248 59.500 58.200 0.086 0.000 0.991 56 S CB -0.077 63.153 63.200 0.049 0.000 0.823 56 S HN 0.348 nan 8.310 nan 0.000 0.469 57 S N 0.577 116.344 115.700 0.111 0.000 2.593 57 S HA 0.243 4.712 4.470 -0.000 0.000 0.217 57 S C 0.341 174.987 174.600 0.077 0.000 0.966 57 S CA 0.197 58.452 58.200 0.093 0.000 0.914 57 S CB 0.024 63.275 63.200 0.084 0.000 0.776 57 S HN 0.275 nan 8.310 nan 0.000 0.523 58 I N 2.685 123.306 120.570 0.085 0.000 2.336 58 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 58 I C 0.413 176.485 176.117 -0.075 0.000 0.991 58 I CA -0.573 60.674 61.300 -0.089 0.000 1.227 58 I CB 0.868 38.688 38.000 -0.300 0.000 1.366 58 I HN -0.045 nan 8.210 nan 0.000 0.466 59 R N 3.448 123.891 120.500 -0.095 0.000 2.537 59 R HA 0.325 4.665 4.340 -0.000 0.000 0.280 59 R C 1.119 177.416 176.300 -0.004 0.000 1.058 59 R CA 0.685 56.779 56.100 -0.010 0.000 1.057 59 R CB 0.212 30.486 30.300 -0.043 0.000 0.973 59 R HN 0.991 nan 8.270 nan 0.000 0.438 60 G N 1.686 110.567 108.800 0.134 0.000 2.162 60 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 60 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 60 G C 0.026 175.241 174.900 0.524 0.000 0.976 60 G CA 0.077 45.328 45.100 0.250 0.000 0.655 60 G HN 0.462 nan 8.290 nan 0.000 0.533 61 F N 0.234 120.306 119.950 0.203 0.000 2.557 61 F HA 0.523 5.050 4.527 -0.000 0.000 0.203 61 F C 1.400 177.342 175.800 0.236 0.000 1.189 61 F CA 0.002 58.185 58.000 0.305 0.000 0.935 61 F CB -0.662 38.523 39.000 0.308 0.000 1.191 61 F HN 0.027 nan 8.300 nan 0.000 0.665 62 Q N 0.400 120.417 119.800 0.362 0.000 2.241 62 Q HA 0.354 4.694 4.340 -0.000 0.000 0.262 62 Q C -0.222 175.842 176.000 0.107 0.000 1.014 62 Q CA -0.561 55.334 55.803 0.154 0.000 0.885 62 Q CB 1.646 30.394 28.738 0.016 0.000 1.311 62 Q HN 0.486 nan 8.270 nan 0.000 0.461 63 S N -0.447 115.271 115.700 0.030 0.000 2.624 63 S HA 0.249 4.718 4.470 -0.000 0.000 0.263 63 S C 1.184 175.782 174.600 -0.003 0.000 1.287 63 S CA -0.631 57.589 58.200 0.033 0.000 0.990 63 S CB 0.496 63.707 63.200 0.018 0.000 0.950 63 S HN 0.723 nan 8.310 nan 0.000 0.561 64 I N 1.095 121.723 120.570 0.097 0.000 2.315 64 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 64 I C 2.357 178.523 176.117 0.082 0.000 1.117 64 I CA 1.385 62.736 61.300 0.086 0.000 1.404 64 I CB -0.234 37.828 38.000 0.104 0.000 1.071 64 I HN 0.903 nan 8.210 nan 0.000 0.419 65 H N 0.004 119.087 119.070 0.023 0.000 2.551 65 H HA 0.103 4.659 4.556 -0.000 0.000 0.266 65 H C 0.286 175.629 175.328 0.025 0.000 0.977 65 H CA 0.399 56.459 56.048 0.021 0.000 1.163 65 H CB -0.324 29.452 29.762 0.023 0.000 1.381 65 H HN 0.475 nan 8.280 nan 0.000 0.581 66 E N 1.294 121.281 120.200 -0.356 0.000 3.385 66 E HA 0.093 4.443 4.350 -0.000 0.000 0.206 66 E C 0.900 177.403 176.600 -0.162 0.000 0.997 66 E CA 0.060 56.318 56.400 -0.236 0.000 1.278 66 E CB 0.923 30.438 29.700 -0.309 0.000 1.165 66 E HN 0.457 nan 8.360 nan 0.000 0.452 67 S N -0.374 115.249 115.700 -0.128 0.000 2.357 67 S HA -0.103 4.367 4.470 -0.000 0.000 0.221 67 S C 0.776 175.229 174.600 -0.244 0.000 1.031 67 S CA 0.410 58.528 58.200 -0.137 0.000 0.982 67 S CB -0.230 62.918 63.200 -0.086 0.000 0.853 67 S HN 0.115 nan 8.310 nan 0.000 0.458 68 D N 2.512 122.763 120.400 -0.248 0.000 2.531 68 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 68 D C -0.009 176.013 176.300 -0.464 0.000 1.144 68 D CA 0.907 54.700 54.000 -0.346 0.000 0.869 68 D CB 0.172 40.799 40.800 -0.289 0.000 1.160 68 D HN 0.210 nan 8.370 nan 0.000 0.484 69 M N 1.398 120.586 119.600 -0.686 0.000 2.691 69 M HA 0.535 5.015 4.480 -0.000 0.000 0.293 69 M C -0.872 175.144 176.300 -0.472 0.000 1.259 69 M CA -0.957 53.920 55.300 -0.705 0.000 0.827 69 M CB 1.720 33.711 32.600 -1.015 0.000 1.753 69 M HN 0.256 nan 8.290 nan 0.000 0.465 70 L N 1.019 122.133 121.223 -0.181 0.000 2.354 70 L HA 0.756 5.096 4.340 -0.000 0.000 0.269 70 L C -1.819 175.173 176.870 0.202 0.000 1.005 70 L CA -0.362 54.495 54.840 0.028 0.000 0.819 70 L CB 1.905 43.960 42.059 -0.007 0.000 1.311 70 L HN 0.621 nan 8.230 nan 0.000 0.423 71 L N 4.926 126.284 121.223 0.224 0.000 2.362 71 L HA 0.589 4.929 4.340 -0.000 0.000 0.275 71 L C -1.178 175.935 176.870 0.404 0.000 0.998 71 L CA -0.473 54.538 54.840 0.285 0.000 0.820 71 L CB 1.842 43.953 42.059 0.087 0.000 1.270 71 L HN 0.457 nan 8.230 nan 0.000 0.415 72 L N 4.710 126.185 121.223 0.421 0.000 2.341 72 L HA 0.584 4.923 4.340 -0.000 0.000 0.278 72 L C -2.258 174.544 176.870 -0.113 0.000 1.005 72 L CA -1.922 53.021 54.840 0.172 0.000 0.818 72 L CB 2.341 44.381 42.059 -0.031 0.000 1.259 72 L HN 0.309 nan 8.230 nan 0.000 0.418 73 P HA 0.011 nan 4.420 nan 0.000 0.271 73 P C -1.236 175.772 177.300 -0.487 0.000 1.218 73 P CA -0.138 62.142 63.100 -1.367 0.000 0.780 73 P CB 1.040 31.832 31.700 -1.514 0.000 0.901 74 D N 3.387 123.527 120.400 -0.435 0.000 2.460 74 D HA 0.171 4.811 4.640 -0.000 0.000 0.232 74 D C -1.411 174.845 176.300 -0.072 0.000 1.079 74 D CA -2.540 51.403 54.000 -0.095 0.000 0.864 74 D CB 0.931 41.643 40.800 -0.147 0.000 1.048 74 D HN 0.120 nan 8.370 nan 0.000 0.523 75 P HA -0.134 nan 4.420 nan 0.000 0.219 75 P C 0.756 178.065 177.300 0.015 0.000 1.146 75 P CA 0.871 64.012 63.100 0.069 0.000 0.808 75 P CB 0.524 32.285 31.700 0.102 0.000 0.779 76 E N -0.436 119.778 120.200 0.024 0.000 2.409 76 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 76 E C 1.523 178.096 176.600 -0.044 0.000 1.024 76 E CA 1.417 57.817 56.400 -0.001 0.000 0.861 76 E CB -0.400 29.334 29.700 0.057 0.000 0.788 76 E HN 0.424 nan 8.360 nan 0.000 0.521 77 T N -2.169 112.358 114.554 -0.046 0.000 3.086 77 T HA 0.339 4.689 4.350 -0.000 0.000 0.250 77 T C 0.762 175.417 174.700 -0.075 0.000 1.074 77 T CA -0.119 61.940 62.100 -0.069 0.000 0.988 77 T CB 0.338 69.161 68.868 -0.075 0.000 0.988 77 T HN 0.054 nan 8.240 nan 0.000 0.530 78 A N 2.676 125.459 122.820 -0.062 0.000 2.522 78 A HA 0.549 4.869 4.320 -0.000 0.000 0.256 78 A C 0.208 177.758 177.584 -0.057 0.000 1.086 78 A CA -0.294 51.709 52.037 -0.056 0.000 0.763 78 A CB 0.039 19.024 19.000 -0.026 0.000 1.024 78 A HN 0.407 nan 8.150 nan 0.000 0.502 79 R N 2.659 123.124 120.500 -0.058 0.000 2.604 79 R HA 0.353 4.693 4.340 -0.000 0.000 0.281 79 R C -0.913 175.364 176.300 -0.038 0.000 1.020 79 R CA -0.881 55.192 56.100 -0.045 0.000 0.899 79 R CB 1.159 31.436 30.300 -0.039 0.000 1.205 79 R HN 0.624 nan 8.270 nan 0.000 0.450 80 I N 1.921 122.473 120.570 -0.029 0.000 2.588 80 I HA -0.004 4.166 4.170 -0.000 0.000 0.283 80 I C 0.933 177.032 176.117 -0.030 0.000 1.119 80 I CA 0.196 61.480 61.300 -0.027 0.000 1.419 80 I CB 0.389 38.374 38.000 -0.025 0.000 1.394 80 I HN 0.421 nan 8.210 nan 0.000 0.562 81 D N 8.460 128.850 120.400 -0.018 0.000 2.348 81 D HA 0.135 4.775 4.640 -0.000 0.000 0.253 81 D C -1.725 174.506 176.300 -0.115 0.000 1.161 81 D CA -1.222 52.778 54.000 -0.000 0.000 0.876 81 D CB 1.988 42.834 40.800 0.077 0.000 1.160 81 D HN 0.262 nan 8.370 nan 0.000 0.459 82 P HA 0.075 nan 4.420 nan 0.000 0.236 82 P C 0.453 177.378 177.300 -0.625 0.000 1.177 82 P CA 0.501 63.232 63.100 -0.616 0.000 0.773 82 P CB 0.150 31.242 31.700 -1.013 0.000 0.878 83 F N -1.008 118.959 119.950 0.029 0.000 2.602 83 F HA 0.264 4.790 4.527 -0.000 0.000 0.284 83 F C 1.234 177.052 175.800 0.030 0.000 1.111 83 F CA -0.315 57.691 58.000 0.010 0.000 1.405 83 F CB -0.542 38.436 39.000 -0.037 0.000 1.121 83 F HN -0.392 nan 8.300 nan 0.000 0.603 84 R N 0.855 121.470 120.500 0.191 0.000 2.389 84 R HA 0.374 4.713 4.340 -0.000 0.000 0.295 84 R C 1.275 177.638 176.300 0.104 0.000 1.075 84 R CA 0.314 56.498 56.100 0.141 0.000 1.005 84 R CB 0.915 31.293 30.300 0.130 0.000 0.987 84 R HN 0.193 nan 8.270 nan 0.000 0.452 85 A N 3.418 126.297 122.820 0.099 0.000 1.933 85 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 85 A C 1.021 178.661 177.584 0.094 0.000 1.175 85 A CA 1.503 53.591 52.037 0.084 0.000 0.628 85 A CB -0.171 18.876 19.000 0.078 0.000 0.814 85 A HN 0.736 nan 8.150 nan 0.000 0.444 86 A N 0.067 122.965 122.820 0.130 0.000 2.354 86 A HA 0.482 4.801 4.320 -0.000 0.000 0.281 86 A C 0.211 177.896 177.584 0.169 0.000 1.174 86 A CA -0.474 51.674 52.037 0.185 0.000 0.828 86 A CB -0.041 19.162 19.000 0.339 0.000 1.099 86 A HN 0.264 nan 8.150 nan 0.000 0.516 87 K N 2.269 122.732 120.400 0.105 0.000 2.430 87 K HA 0.192 4.511 4.320 -0.000 0.000 0.280 87 K C -0.386 176.265 176.600 0.086 0.000 1.063 87 K CA 1.016 57.344 56.287 0.068 0.000 1.071 87 K CB -0.164 32.354 32.500 0.030 0.000 0.899 87 K HN 0.631 nan 8.250 nan 0.000 0.473 88 T N 4.893 119.494 114.554 0.078 0.000 2.861 88 T HA 0.412 4.762 4.350 -0.000 0.000 0.287 88 T C -1.356 173.353 174.700 0.015 0.000 1.003 88 T CA -0.745 61.402 62.100 0.078 0.000 0.977 88 T CB 1.080 70.010 68.868 0.104 0.000 0.996 88 T HN 0.400 nan 8.240 nan 0.000 0.448 89 L N 3.914 125.123 121.223 -0.023 0.000 2.287 89 L HA 0.544 4.884 4.340 -0.000 0.000 0.287 89 L C -0.714 176.092 176.870 -0.106 0.000 1.022 89 L CA -0.511 54.289 54.840 -0.067 0.000 0.814 89 L CB 0.849 42.853 42.059 -0.092 0.000 1.217 89 L HN 0.462 nan 8.230 nan 0.000 0.420 90 N N 6.477 125.119 118.700 -0.097 0.000 2.455 90 N HA 0.543 5.283 4.740 -0.000 0.000 0.280 90 N C -0.979 174.468 175.510 -0.106 0.000 1.055 90 N CA -0.010 52.966 53.050 -0.124 0.000 0.961 90 N CB 1.645 40.037 38.487 -0.158 0.000 1.121 90 N HN 0.523 nan 8.380 nan 0.000 0.476 91 I N 1.417 121.944 120.570 -0.073 0.000 2.569 91 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 91 I C -0.525 175.641 176.117 0.081 0.000 1.088 91 I CA -0.943 60.341 61.300 -0.026 0.000 1.047 91 I CB 1.841 39.818 38.000 -0.038 0.000 1.237 91 I HN 0.175 nan 8.210 nan 0.000 0.421 92 N N 4.876 123.564 118.700 -0.020 0.000 2.530 92 N HA 0.542 5.282 4.740 -0.000 0.000 0.277 92 N C -1.126 174.352 175.510 -0.054 0.000 1.168 92 N CA 0.133 53.183 53.050 0.001 0.000 0.979 92 N CB 0.871 39.289 38.487 -0.115 0.000 1.141 92 N HN 0.327 nan 8.380 nan 0.000 0.459 93 F N 0.458 120.272 119.950 -0.225 0.000 2.579 93 F HA 0.499 5.026 4.527 -0.000 0.000 0.324 93 F C -0.085 175.556 175.800 -0.266 0.000 1.058 93 F CA -0.990 56.898 58.000 -0.186 0.000 0.944 93 F CB 1.251 40.196 39.000 -0.092 0.000 1.245 93 F HN 0.234 nan 8.300 nan 0.000 0.477 94 F N 1.203 121.254 119.950 0.169 0.000 2.397 94 F HA 0.529 5.056 4.527 -0.000 0.000 0.331 94 F C -0.079 175.821 175.800 0.166 0.000 1.090 94 F CA -0.956 57.112 58.000 0.114 0.000 1.065 94 F CB 1.122 40.188 39.000 0.111 0.000 1.184 94 F HN -0.074 nan 8.300 nan 0.000 0.499 95 V N 3.283 123.324 119.914 0.212 0.000 2.465 95 V HA 0.282 4.402 4.120 -0.000 0.000 0.279 95 V C -0.109 175.943 176.094 -0.069 0.000 1.045 95 V CA -0.500 61.864 62.300 0.106 0.000 0.938 95 V CB 0.628 32.486 31.823 0.059 0.000 0.986 95 V HN 0.669 nan 8.190 nan 0.000 0.467 96 H N 1.822 120.899 119.070 0.011 0.000 2.821 96 H HA 0.289 4.845 4.556 -0.000 0.000 0.373 96 H C -0.767 174.489 175.328 -0.119 0.000 1.165 96 H CA -0.771 55.266 56.048 -0.018 0.000 1.154 96 H CB 2.350 32.119 29.762 0.011 0.000 1.765 96 H HN 0.685 nan 8.280 nan 0.000 0.549 97 D N 2.979 123.393 120.400 0.025 0.000 2.458 97 D HA -0.016 4.624 4.640 -0.000 0.000 0.243 97 D C -1.576 174.695 176.300 -0.048 0.000 1.146 97 D CA -1.117 52.864 54.000 -0.032 0.000 0.877 97 D CB 1.558 42.392 40.800 0.055 0.000 1.176 97 D HN 0.286 nan 8.370 nan 0.000 0.461 98 P HA -0.040 nan 4.420 nan 0.000 0.236 98 P C 0.932 178.021 177.300 -0.352 0.000 1.177 98 P CA 0.561 63.479 63.100 -0.304 0.000 0.773 98 P CB 0.127 31.537 31.700 -0.484 0.000 0.878 99 F N 0.819 120.746 119.950 -0.038 0.000 2.315 99 F HA 0.016 4.543 4.527 -0.000 0.000 0.284 99 F C 2.591 178.383 175.800 -0.012 0.000 1.049 99 F CA 1.836 59.821 58.000 -0.025 0.000 1.323 99 F CB -1.469 37.516 39.000 -0.026 0.000 1.113 99 F HN -0.107 nan 8.300 nan 0.000 0.544 100 T N -2.161 112.512 114.554 0.198 0.000 3.067 100 T HA 0.112 4.461 4.350 -0.000 0.000 0.257 100 T C 1.161 175.910 174.700 0.082 0.000 1.105 100 T CA 0.535 62.705 62.100 0.116 0.000 1.104 100 T CB -0.460 68.466 68.868 0.096 0.000 0.925 100 T HN 0.261 nan 8.240 nan 0.000 0.498 101 L N -0.568 120.702 121.223 0.079 0.000 4.429 101 L HA -0.146 4.194 4.340 -0.000 0.000 0.422 101 L C -0.076 176.905 176.870 0.184 0.000 1.149 101 L CA 0.411 55.297 54.840 0.076 0.000 0.972 101 L CB -2.023 40.039 42.059 0.004 0.000 2.059 101 L HN 0.373 nan 8.230 nan 0.000 0.870 102 E N 1.146 121.443 120.200 0.162 0.000 2.354 102 E HA 0.283 4.633 4.350 -0.000 0.000 0.269 102 E C -1.959 174.714 176.600 0.122 0.000 1.036 102 E CA -1.754 54.734 56.400 0.147 0.000 0.876 102 E CB 0.585 30.326 29.700 0.068 0.000 1.009 102 E HN -0.041 nan 8.360 nan 0.000 0.416 103 P HA -0.124 nan 4.420 nan 0.000 0.264 103 P C -0.515 176.698 177.300 -0.145 0.000 1.179 103 P CA 0.453 63.326 63.100 -0.377 0.000 0.763 103 P CB 0.109 31.637 31.700 -0.286 0.000 0.806 104 Y N 2.439 122.545 120.300 -0.324 0.000 2.319 104 Y HA 0.089 4.638 4.550 -0.000 0.000 0.328 104 Y C 1.699 177.463 175.900 -0.227 0.000 1.133 104 Y CA -0.492 57.458 58.100 -0.250 0.000 1.265 104 Y CB 0.597 38.875 38.460 -0.303 0.000 1.218 104 Y HN 0.428 nan 8.280 nan 0.000 0.508 105 S N 4.449 119.895 115.700 -0.423 0.000 2.447 105 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 105 S C 1.139 175.384 174.600 -0.591 0.000 1.006 105 S CA 0.976 58.913 58.200 -0.439 0.000 0.957 105 S CB -0.117 62.898 63.200 -0.309 0.000 0.773 105 S HN 0.800 nan 8.310 nan 0.000 0.507 106 R N 0.992 120.839 120.500 -1.089 0.000 2.546 106 R HA 0.277 4.617 4.340 -0.000 0.000 0.320 106 R C -0.820 175.185 176.300 -0.491 0.000 1.021 106 R CA -0.099 55.546 56.100 -0.759 0.000 1.088 106 R CB 0.116 29.994 30.300 -0.703 0.000 1.278 106 R HN 0.323 nan 8.270 nan 0.000 0.557 107 D N 1.347 121.523 120.400 -0.372 0.000 2.325 107 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 107 D C -1.714 174.514 176.300 -0.120 0.000 1.196 107 D CA -2.470 51.493 54.000 -0.062 0.000 0.866 107 D CB 1.754 42.569 40.800 0.025 0.000 1.101 107 D HN -0.134 nan 8.370 nan 0.000 0.476 108 P HA -0.107 nan 4.420 nan 0.000 0.216 108 P C 1.136 178.241 177.300 -0.325 0.000 1.150 108 P CA 1.118 64.104 63.100 -0.191 0.000 0.837 108 P CB 0.240 31.873 31.700 -0.111 0.000 0.786 109 R N -1.006 119.212 120.500 -0.470 0.000 2.115 109 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 109 R C 2.112 178.449 176.300 0.062 0.000 1.111 109 R CA 1.311 57.177 56.100 -0.391 0.000 0.976 109 R CB -0.929 29.061 30.300 -0.517 0.000 0.870 109 R HN 0.206 nan 8.270 nan 0.000 0.445 110 N N 1.075 119.802 118.700 0.045 0.000 2.120 110 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 110 N C 1.594 177.021 175.510 -0.138 0.000 1.024 110 N CA 1.124 54.151 53.050 -0.039 0.000 0.852 110 N CB 0.006 38.423 38.487 -0.117 0.000 1.003 110 N HN 0.027 nan 8.380 nan 0.000 0.424 111 I N 0.849 121.284 120.570 -0.224 0.000 2.226 111 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 111 I C 2.314 178.295 176.117 -0.227 0.000 1.100 111 I CA 1.130 62.216 61.300 -0.357 0.000 1.374 111 I CB -1.891 35.745 38.000 -0.606 0.000 1.057 111 I HN 0.149 nan 8.210 nan 0.000 0.413 112 A N 0.825 123.589 122.820 -0.094 0.000 1.877 112 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 112 A C 2.531 180.127 177.584 0.019 0.000 1.186 112 A CA 1.423 53.469 52.037 0.016 0.000 0.620 112 A CB -0.651 18.451 19.000 0.170 0.000 0.822 112 A HN 0.274 nan 8.150 nan 0.000 0.443 113 R N -0.233 120.285 120.500 0.030 0.000 2.115 113 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 113 R C 2.259 178.539 176.300 -0.035 0.000 1.133 113 R CA 2.169 58.266 56.100 -0.005 0.000 0.935 113 R CB -0.364 29.899 30.300 -0.063 0.000 0.853 113 R HN 0.553 nan 8.270 nan 0.000 0.433 114 K N -0.425 119.933 120.400 -0.070 0.000 2.097 114 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 114 K C 2.098 178.702 176.600 0.008 0.000 1.049 114 K CA 1.281 57.534 56.287 -0.057 0.000 0.933 114 K CB -0.123 32.306 32.500 -0.119 0.000 0.717 114 K HN 0.189 nan 8.250 nan 0.000 0.442 115 A N 1.755 124.573 122.820 -0.003 0.000 1.902 115 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 115 A C 1.916 179.581 177.584 0.135 0.000 1.181 115 A CA 1.452 53.537 52.037 0.080 0.000 0.623 115 A CB -0.354 18.680 19.000 0.057 0.000 0.818 115 A HN 0.288 nan 8.150 nan 0.000 0.443 116 E N -0.148 120.100 120.200 0.078 0.000 2.077 116 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 116 E C 1.698 178.330 176.600 0.053 0.000 0.989 116 E CA 1.149 57.586 56.400 0.062 0.000 0.800 116 E CB -0.202 29.508 29.700 0.017 0.000 0.746 116 E HN 0.532 nan 8.360 nan 0.000 0.452 117 N N 0.237 118.966 118.700 0.050 0.000 2.188 117 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 117 N C 1.610 177.161 175.510 0.069 0.000 1.018 117 N CA 0.799 53.873 53.050 0.040 0.000 0.858 117 N CB -0.376 38.124 38.487 0.022 0.000 0.989 117 N HN 0.245 nan 8.380 nan 0.000 0.426 118 Y N 1.584 121.886 120.300 0.003 0.000 2.181 118 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 118 Y C 2.238 178.157 175.900 0.031 0.000 1.146 118 Y CA 0.925 59.034 58.100 0.015 0.000 1.164 118 Y CB -0.538 37.932 38.460 0.018 0.000 0.982 118 Y HN -0.021 nan 8.280 nan 0.000 0.515 119 L N 0.687 121.908 121.223 -0.003 0.000 1.990 119 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 119 L C 2.233 179.034 176.870 -0.115 0.000 1.072 119 L CA 2.184 56.990 54.840 -0.056 0.000 0.755 119 L CB -1.042 41.059 42.059 0.071 0.000 0.889 119 L HN 0.373 nan 8.230 nan 0.000 0.432 120 I N -0.336 120.197 120.570 -0.062 0.000 2.208 120 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 120 I C 2.633 178.695 176.117 -0.091 0.000 1.097 120 I CA 1.653 62.922 61.300 -0.053 0.000 1.363 120 I CB -0.642 37.344 38.000 -0.024 0.000 1.051 120 I HN 0.563 nan 8.210 nan 0.000 0.413 121 S N 0.015 115.634 115.700 -0.135 0.000 2.469 121 S HA -0.176 4.294 4.470 -0.000 0.000 0.238 121 S C 1.986 176.467 174.600 -0.200 0.000 0.998 121 S CA 1.510 59.623 58.200 -0.146 0.000 0.957 121 S CB -0.941 62.184 63.200 -0.125 0.000 0.764 121 S HN 0.626 nan 8.310 nan 0.000 0.514 122 T N -2.998 111.385 114.554 -0.284 0.000 3.043 122 T HA 0.380 4.730 4.350 -0.000 0.000 0.263 122 T C 1.865 176.500 174.700 -0.108 0.000 1.094 122 T CA 0.990 62.950 62.100 -0.234 0.000 1.127 122 T CB -0.834 67.866 68.868 -0.279 0.000 0.905 122 T HN 1.252 nan 8.240 nan 0.000 0.490 123 G N 1.223 109.975 108.800 -0.080 0.000 2.184 123 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.264 123 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.264 123 G C 0.809 175.699 174.900 -0.018 0.000 0.975 123 G CA 0.458 45.536 45.100 -0.037 0.000 0.642 123 G HN 0.586 nan 8.290 nan 0.000 0.536 124 I N 0.507 121.065 120.570 -0.020 0.000 2.286 124 I HA 0.333 4.503 4.170 -0.000 0.000 0.245 124 I C 1.563 177.697 176.117 0.028 0.000 1.104 124 I CA 1.570 62.877 61.300 0.011 0.000 1.397 124 I CB -0.183 37.834 38.000 0.027 0.000 1.072 124 I HN 0.655 nan 8.210 nan 0.000 0.417 125 A N 0.362 123.198 122.820 0.027 0.000 2.586 125 A HA 0.395 4.715 4.320 -0.000 0.000 0.290 125 A C -0.952 176.654 177.584 0.037 0.000 1.086 125 A CA -0.214 51.852 52.037 0.050 0.000 0.665 125 A CB 0.624 19.670 19.000 0.076 0.000 1.279 125 A HN 0.201 nan 8.150 nan 0.000 0.423 126 D N -1.260 119.170 120.400 0.051 0.000 2.449 126 D HA 0.278 4.918 4.640 -0.000 0.000 0.210 126 D C 0.172 176.472 176.300 -0.000 0.000 1.094 126 D CA 0.819 54.836 54.000 0.027 0.000 0.846 126 D CB 0.628 41.449 40.800 0.034 0.000 1.003 126 D HN 0.375 nan 8.370 nan 0.000 0.504 127 T N 0.158 114.705 114.554 -0.012 0.000 2.921 127 T HA 0.725 5.075 4.350 -0.000 0.000 0.297 127 T C -1.048 173.544 174.700 -0.180 0.000 1.013 127 T CA -0.820 61.177 62.100 -0.171 0.000 0.990 127 T CB 1.912 70.550 68.868 -0.383 0.000 1.023 127 T HN 0.194 nan 8.240 nan 0.000 0.447 128 A N 2.887 125.612 122.820 -0.158 0.000 2.267 128 A HA 0.720 5.040 4.320 -0.000 0.000 0.315 128 A C -1.215 176.331 177.584 -0.063 0.000 1.297 128 A CA -0.599 51.420 52.037 -0.030 0.000 0.865 128 A CB 0.141 19.275 19.000 0.224 0.000 1.165 128 A HN 0.758 nan 8.150 nan 0.000 0.513 129 Y N 0.976 121.312 120.300 0.060 0.000 2.308 129 Y HA 0.560 5.110 4.550 -0.000 0.000 0.329 129 Y C -0.438 175.392 175.900 -0.117 0.000 1.111 129 Y CA -0.344 57.814 58.100 0.097 0.000 1.179 129 Y CB 1.176 39.689 38.460 0.088 0.000 1.201 129 Y HN 0.569 nan 8.280 nan 0.000 0.483 130 F N 1.165 121.237 119.950 0.204 0.000 2.507 130 F HA 0.587 5.114 4.527 -0.000 0.000 0.328 130 F C 0.411 176.245 175.800 0.057 0.000 1.136 130 F CA -0.997 56.986 58.000 -0.028 0.000 0.930 130 F CB 2.018 40.780 39.000 -0.396 0.000 1.166 130 F HN 0.586 nan 8.300 nan 0.000 0.436 131 G N 2.281 111.178 108.800 0.162 0.000 2.468 131 G HA2 0.651 4.611 3.960 -0.000 0.000 0.315 131 G HA3 0.651 4.611 3.960 -0.000 0.000 0.315 131 G C -1.321 173.633 174.900 0.090 0.000 1.203 131 G CA -0.633 44.535 45.100 0.114 0.000 0.962 131 G HN 0.819 nan 8.290 nan 0.000 0.476 132 A N 2.931 125.748 122.820 -0.004 0.000 2.318 132 A HA 0.751 5.071 4.320 -0.000 0.000 0.324 132 A C -0.155 177.388 177.584 -0.068 0.000 1.170 132 A CA -0.739 51.339 52.037 0.069 0.000 0.810 132 A CB 1.118 20.253 19.000 0.224 0.000 1.198 132 A HN 0.627 nan 8.150 nan 0.000 0.484 133 E N 1.827 122.055 120.200 0.047 0.000 2.070 133 E HA 0.455 4.805 4.350 -0.000 0.000 0.261 133 E C -0.353 176.263 176.600 0.027 0.000 0.926 133 E CA -0.345 56.052 56.400 -0.004 0.000 0.760 133 E CB 1.497 31.228 29.700 0.052 0.000 1.133 133 E HN 0.669 nan 8.360 nan 0.000 0.420 134 A N 4.276 127.149 122.820 0.088 0.000 2.366 134 A HA 0.201 4.521 4.320 -0.000 0.000 0.322 134 A C -0.019 177.845 177.584 0.467 0.000 1.397 134 A CA -0.582 51.648 52.037 0.321 0.000 0.984 134 A CB 0.125 19.396 19.000 0.451 0.000 1.149 134 A HN 0.549 nan 8.150 nan 0.000 0.540 135 E N 1.017 121.341 120.200 0.208 0.000 2.373 135 E HA 0.559 4.909 4.350 -0.000 0.000 0.263 135 E C -0.607 175.961 176.600 -0.055 0.000 1.073 135 E CA 0.080 56.471 56.400 -0.015 0.000 0.894 135 E CB 0.891 30.502 29.700 -0.148 0.000 1.008 135 E HN 0.684 nan 8.360 nan 0.000 0.420 136 F N -1.366 118.305 119.950 -0.465 0.000 2.686 136 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 136 F C -1.669 173.717 175.800 -0.689 0.000 1.128 136 F CA -1.308 56.252 58.000 -0.734 0.000 0.946 136 F CB 0.874 39.062 39.000 -1.354 0.000 1.336 136 F HN 0.257 nan 8.300 nan 0.000 0.457 137 Y N 1.979 122.010 120.300 -0.448 0.000 2.341 137 Y HA 0.623 5.173 4.550 -0.000 0.000 0.337 137 Y C -0.020 175.503 175.900 -0.628 0.000 1.014 137 Y CA -0.839 56.844 58.100 -0.695 0.000 1.111 137 Y CB 1.820 39.630 38.460 -1.083 0.000 1.194 137 Y HN 0.479 nan 8.280 nan 0.000 0.462 138 I N 5.607 125.919 120.570 -0.431 0.000 2.282 138 I HA 0.165 4.334 4.170 -0.000 0.000 0.290 138 I C -0.810 175.257 176.117 -0.083 0.000 1.090 138 I CA -0.195 60.955 61.300 -0.249 0.000 1.231 138 I CB -0.289 37.519 38.000 -0.320 0.000 1.434 138 I HN 0.360 nan 8.210 nan 0.000 0.487 139 F N 3.549 123.581 119.950 0.137 0.000 2.375 139 F HA 0.282 4.809 4.527 -0.000 0.000 0.317 139 F C 1.406 177.299 175.800 0.155 0.000 1.124 139 F CA -0.665 57.440 58.000 0.175 0.000 1.050 139 F CB 0.525 39.625 39.000 0.167 0.000 1.314 139 F HN 0.343 nan 8.300 nan 0.000 0.511 140 D N -0.911 119.719 120.400 0.384 0.000 2.379 140 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 140 D C 0.024 176.409 176.300 0.141 0.000 1.006 140 D CA 0.850 54.976 54.000 0.210 0.000 0.893 140 D CB 0.309 41.215 40.800 0.177 0.000 1.019 140 D HN 0.358 nan 8.370 nan 0.000 0.503 141 S N -0.926 114.868 115.700 0.158 0.000 2.565 141 S HA 0.601 5.071 4.470 -0.000 0.000 0.269 141 S C -1.311 173.343 174.600 0.089 0.000 1.153 141 S CA -0.887 57.375 58.200 0.103 0.000 0.835 141 S CB 2.446 65.686 63.200 0.066 0.000 1.122 141 S HN -0.071 nan 8.310 nan 0.000 0.462 142 V N 1.449 121.427 119.914 0.107 0.000 2.851 142 V HA 0.909 5.029 4.120 -0.000 0.000 0.307 142 V C -1.206 174.949 176.094 0.103 0.000 1.129 142 V CA 0.328 62.702 62.300 0.123 0.000 0.932 142 V CB 1.950 33.903 31.823 0.216 0.000 1.024 142 V HN 1.738 nan 8.190 nan 0.000 0.426 143 S N 5.498 121.257 115.700 0.099 0.000 2.579 143 S HA 0.993 5.463 4.470 -0.000 0.000 0.272 143 S C -1.047 173.404 174.600 -0.248 0.000 1.141 143 S CA -0.649 57.509 58.200 -0.070 0.000 0.843 143 S CB 2.022 65.291 63.200 0.115 0.000 1.122 143 S HN 1.889 nan 8.310 nan 0.000 0.468 144 F N -1.300 118.307 119.950 -0.571 0.000 2.744 144 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 144 F C -1.782 173.646 175.800 -0.620 0.000 1.144 144 F CA -0.816 56.612 58.000 -0.953 0.000 0.938 144 F CB 0.737 39.486 39.000 -0.420 0.000 1.292 144 F HN 0.828 nan 8.300 nan 0.000 0.444 145 D N 0.101 120.311 120.400 -0.317 0.000 2.665 145 D HA 0.639 5.279 4.640 -0.000 0.000 0.287 145 D C -1.770 174.569 176.300 0.066 0.000 1.266 145 D CA -0.613 53.391 54.000 0.008 0.000 0.830 145 D CB 1.629 42.478 40.800 0.082 0.000 1.356 145 D HN 0.777 nan 8.370 nan 0.000 0.437 146 S N -0.538 115.208 115.700 0.078 0.000 2.689 146 S HA 0.669 5.139 4.470 -0.000 0.000 0.274 146 S C -1.255 173.378 174.600 0.054 0.000 1.176 146 S CA -0.661 57.575 58.200 0.060 0.000 1.014 146 S CB 0.489 63.716 63.200 0.045 0.000 1.071 146 S HN 0.532 nan 8.310 nan 0.000 0.478 147 R N 1.743 122.273 120.500 0.051 0.000 2.922 147 R HA 0.735 5.075 4.340 -0.000 0.000 0.256 147 R C 1.155 177.477 176.300 0.038 0.000 1.138 147 R CA -0.433 55.691 56.100 0.041 0.000 0.995 147 R CB 0.670 30.994 30.300 0.039 0.000 1.226 147 R HN 0.567 nan 8.270 nan 0.000 0.481 148 A N 0.947 123.788 122.820 0.035 0.000 1.972 148 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 148 A C 1.123 178.734 177.584 0.046 0.000 1.169 148 A CA 1.854 53.916 52.037 0.041 0.000 0.635 148 A CB -0.474 18.547 19.000 0.035 0.000 0.810 148 A HN 0.772 nan 8.150 nan 0.000 0.446 149 N N -1.194 117.521 118.700 0.026 0.000 2.187 149 N HA 0.315 5.055 4.740 -0.000 0.000 0.212 149 N C 0.312 175.792 175.510 -0.049 0.000 1.152 149 N CA 0.880 53.935 53.050 0.009 0.000 0.872 149 N CB 0.640 39.132 38.487 0.008 0.000 1.025 149 N HN 0.416 nan 8.380 nan 0.000 0.514 150 G N -0.967 107.809 108.800 -0.040 0.000 2.519 150 G HA2 0.445 4.404 3.960 -0.000 0.000 0.292 150 G HA3 0.445 4.404 3.960 -0.000 0.000 0.292 150 G C -2.129 172.773 174.900 0.003 0.000 1.507 150 G CA -0.406 44.651 45.100 -0.072 0.000 0.806 150 G HN 0.174 nan 8.290 nan 0.000 0.523 151 S N -0.934 114.778 115.700 0.020 0.000 2.537 151 S HA 0.862 5.332 4.470 -0.000 0.000 0.271 151 S C -1.438 173.270 174.600 0.180 0.000 1.148 151 S CA -0.518 57.738 58.200 0.094 0.000 0.868 151 S CB 1.113 64.338 63.200 0.041 0.000 1.115 151 S HN 1.892 nan 8.310 nan 0.000 0.461 152 F N 2.313 122.271 119.950 0.014 0.000 2.686 152 F HA 0.881 5.408 4.527 -0.000 0.000 0.311 152 F C -1.820 174.067 175.800 0.144 0.000 1.128 152 F CA -1.164 56.837 58.000 0.002 0.000 0.946 152 F CB 0.929 39.889 39.000 -0.067 0.000 1.336 152 F HN 0.712 nan 8.300 nan 0.000 0.457 153 Y N -0.297 119.919 120.300 -0.140 0.000 2.562 153 Y HA 0.786 5.336 4.550 -0.000 0.000 0.345 153 Y C -1.771 174.152 175.900 0.040 0.000 1.045 153 Y CA -1.102 56.854 58.100 -0.240 0.000 1.028 153 Y CB 2.012 40.368 38.460 -0.174 0.000 1.297 153 Y HN 0.990 nan 8.280 nan 0.000 0.463 154 E N 2.596 122.836 120.200 0.066 0.000 2.321 154 E HA 0.551 4.901 4.350 -0.000 0.000 0.281 154 E C -1.825 174.764 176.600 -0.018 0.000 0.910 154 E CA -1.031 55.336 56.400 -0.055 0.000 0.770 154 E CB 2.722 32.425 29.700 0.006 0.000 1.225 154 E HN 0.879 nan 8.360 nan 0.000 0.417 155 V N 0.584 120.386 119.914 -0.187 0.000 2.732 155 V HA 0.758 4.877 4.120 -0.000 0.000 0.310 155 V C -0.515 175.353 176.094 -0.377 0.000 1.053 155 V CA -0.545 61.518 62.300 -0.395 0.000 0.957 155 V CB 1.822 33.103 31.823 -0.904 0.000 1.018 155 V HN 0.674 nan 8.190 nan 0.000 0.452 156 D N 1.341 121.621 120.400 -0.199 0.000 2.645 156 D HA 0.859 5.498 4.640 -0.000 0.000 0.228 156 D C -0.894 175.594 176.300 0.314 0.000 1.148 156 D CA 0.198 54.293 54.000 0.159 0.000 0.860 156 D CB 2.341 43.245 40.800 0.174 0.000 1.548 156 D HN 1.261 nan 8.370 nan 0.000 0.460 157 A N 2.556 125.678 122.820 0.503 0.000 2.540 157 A HA 0.347 4.667 4.320 -0.000 0.000 0.297 157 A C 0.667 178.369 177.584 0.197 0.000 1.056 157 A CA -0.678 51.607 52.037 0.413 0.000 0.700 157 A CB 0.770 20.127 19.000 0.595 0.000 1.280 157 A HN 0.646 nan 8.150 nan 0.000 0.398 158 I N 1.939 122.605 120.570 0.159 0.000 2.194 158 I HA -0.241 3.929 4.170 -0.000 0.000 0.246 158 I C 2.127 178.226 176.117 -0.030 0.000 1.093 158 I CA 2.578 63.903 61.300 0.041 0.000 1.355 158 I CB 0.200 38.215 38.000 0.024 0.000 1.046 158 I HN 0.774 nan 8.210 nan 0.000 0.413 159 S N 0.289 116.023 115.700 0.057 0.000 2.603 159 S HA 0.128 4.598 4.470 -0.000 0.000 0.220 159 S C 1.197 175.718 174.600 -0.132 0.000 0.967 159 S CA 0.036 58.264 58.200 0.046 0.000 0.920 159 S CB -0.963 62.400 63.200 0.272 0.000 0.773 159 S HN 0.480 nan 8.310 nan 0.000 0.529 160 G N 0.576 109.091 108.800 -0.476 0.000 2.340 160 G HA2 0.098 4.058 3.960 -0.000 0.000 0.245 160 G HA3 0.098 4.058 3.960 -0.000 0.000 0.245 160 G C 0.372 174.617 174.900 -1.091 0.000 1.294 160 G CA -0.631 43.640 45.100 -1.381 0.000 0.896 160 G HN 0.523 nan 8.290 nan 0.000 0.522 161 W N 2.741 123.507 121.300 -0.891 0.000 2.421 161 W HA -0.101 4.559 4.660 -0.000 0.000 0.270 161 W C 1.607 177.993 176.519 -0.222 0.000 1.233 161 W CA 0.940 58.005 57.345 -0.467 0.000 1.226 161 W CB 0.068 29.231 29.460 -0.495 0.000 1.121 161 W HN 0.917 nan 8.180 nan 0.000 0.579 162 W N 0.612 121.953 121.300 0.068 0.000 2.538 162 W HA -0.051 4.608 4.660 -0.000 0.000 0.254 162 W C 1.086 177.560 176.519 -0.075 0.000 1.249 162 W CA 0.931 58.294 57.345 0.031 0.000 1.253 162 W CB -1.516 28.008 29.460 0.106 0.000 1.130 162 W HN -0.241 nan 8.180 nan 0.000 0.618 163 N N 0.441 118.937 118.700 -0.341 0.000 2.236 163 N HA -0.045 4.695 4.740 -0.000 0.000 0.196 163 N C 1.678 177.017 175.510 -0.285 0.000 1.114 163 N CA 1.391 54.302 53.050 -0.232 0.000 0.859 163 N CB -0.308 38.023 38.487 -0.260 0.000 0.982 163 N HN 0.384 nan 8.380 nan 0.000 0.493 164 T N -2.666 111.610 114.554 -0.464 0.000 2.822 164 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 164 T C 1.824 176.339 174.700 -0.308 0.000 1.064 164 T CA 1.463 63.254 62.100 -0.515 0.000 1.131 164 T CB -0.474 67.841 68.868 -0.920 0.000 0.858 164 T HN 0.158 nan 8.240 nan 0.000 0.483 165 G N 0.802 109.466 108.800 -0.226 0.000 3.042 165 G HA2 0.503 4.462 3.960 -0.000 0.000 0.212 165 G HA3 0.503 4.462 3.960 -0.000 0.000 0.212 165 G C 0.547 175.394 174.900 -0.088 0.000 1.166 165 G CA 0.004 45.024 45.100 -0.134 0.000 0.767 165 G HN 0.864 nan 8.290 nan 0.000 0.546 166 A N 0.258 123.025 122.820 -0.089 0.000 2.511 166 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 166 A C 1.731 179.285 177.584 -0.050 0.000 1.069 166 A CA 0.528 52.533 52.037 -0.053 0.000 0.763 166 A CB 0.625 19.599 19.000 -0.045 0.000 1.001 166 A HN 0.657 nan 8.150 nan 0.000 0.498 167 A N 2.322 125.121 122.820 -0.035 0.000 1.897 167 A HA 0.297 4.617 4.320 -0.000 0.000 0.215 167 A C 1.379 178.946 177.584 -0.028 0.000 1.181 167 A CA 1.962 53.980 52.037 -0.031 0.000 0.620 167 A CB -0.522 18.464 19.000 -0.024 0.000 0.821 167 A HN 1.591 nan 8.150 nan 0.000 0.443 168 T N -3.737 110.802 114.554 -0.024 0.000 2.841 168 T HA 0.560 4.910 4.350 -0.000 0.000 0.296 168 T C -0.827 173.861 174.700 -0.019 0.000 1.166 168 T CA -0.987 61.100 62.100 -0.021 0.000 1.007 168 T CB 1.544 70.402 68.868 -0.016 0.000 1.253 168 T HN 0.085 nan 8.240 nan 0.000 0.511 169 E N 0.050 120.239 120.200 -0.017 0.000 2.369 169 E HA 0.486 4.836 4.350 -0.000 0.000 0.255 169 E C 1.592 178.190 176.600 -0.003 0.000 1.172 169 E CA -0.038 56.355 56.400 -0.011 0.000 0.932 169 E CB 0.659 30.352 29.700 -0.013 0.000 1.040 169 E HN 0.847 nan 8.360 nan 0.000 0.454 170 A N 1.570 124.394 122.820 0.006 0.000 1.948 170 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 170 A C 1.260 178.844 177.584 -0.001 0.000 1.177 170 A CA 2.208 54.250 52.037 0.008 0.000 0.636 170 A CB -0.537 18.475 19.000 0.019 0.000 0.815 170 A HN 0.599 nan 8.150 nan 0.000 0.449 171 D N -2.154 118.243 120.400 -0.004 0.000 2.324 171 D HA 0.280 4.920 4.640 -0.000 0.000 0.235 171 D C 1.159 177.453 176.300 -0.010 0.000 1.095 171 D CA 0.919 54.914 54.000 -0.009 0.000 0.871 171 D CB -0.660 40.133 40.800 -0.012 0.000 0.906 171 D HN 0.808 nan 8.370 nan 0.000 0.522 172 G N 0.284 109.078 108.800 -0.010 0.000 2.234 172 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 172 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 172 G C 0.505 175.398 174.900 -0.013 0.000 0.987 172 G CA 0.531 45.624 45.100 -0.011 0.000 0.625 172 G HN 0.848 nan 8.290 nan 0.000 0.532 173 S N 0.881 116.573 115.700 -0.013 0.000 2.600 173 S HA 0.610 5.080 4.470 -0.000 0.000 0.265 173 S C -1.937 172.653 174.600 -0.016 0.000 1.325 173 S CA -0.721 57.470 58.200 -0.015 0.000 1.002 173 S CB 1.576 64.766 63.200 -0.016 0.000 0.921 173 S HN 0.225 nan 8.310 nan 0.000 0.554 174 P HA 0.209 nan 4.420 nan 0.000 0.272 174 P C -0.563 176.725 177.300 -0.020 0.000 1.223 174 P CA -0.510 62.580 63.100 -0.017 0.000 0.784 174 P CB 0.293 31.985 31.700 -0.014 0.000 0.923 175 N N 2.007 120.691 118.700 -0.026 0.000 2.420 175 N HA 0.034 4.774 4.740 -0.000 0.000 0.262 175 N C 0.397 175.895 175.510 -0.021 0.000 1.144 175 N CA 0.252 53.281 53.050 -0.034 0.000 0.952 175 N CB 0.019 38.474 38.487 -0.054 0.000 1.081 175 N HN 0.244 nan 8.380 nan 0.000 0.480 176 R N 2.461 122.958 120.500 -0.004 0.000 2.432 176 R HA 0.208 4.548 4.340 -0.000 0.000 0.260 176 R C 1.095 177.446 176.300 0.084 0.000 0.935 176 R CA 0.136 56.257 56.100 0.035 0.000 1.080 176 R CB 0.052 30.374 30.300 0.037 0.000 1.155 176 R HN 0.824 nan 8.270 nan 0.000 0.531 177 G N 1.046 109.858 108.800 0.020 0.000 2.569 177 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.259 177 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.259 177 G C -0.205 174.765 174.900 0.117 0.000 1.263 177 G CA 0.120 45.214 45.100 -0.009 0.000 0.928 177 G HN 0.419 nan 8.290 nan 0.000 0.572 178 Y N -0.180 120.118 120.300 -0.002 0.000 3.589 178 Y HA -0.204 4.346 4.550 -0.000 0.000 0.218 178 Y C 1.403 177.326 175.900 0.038 0.000 1.234 178 Y CA 1.593 59.707 58.100 0.024 0.000 1.576 178 Y CB -1.464 36.996 38.460 -0.000 0.000 1.487 178 Y HN 0.631 nan 8.280 nan 0.000 0.616 179 K N -0.136 120.340 120.400 0.127 0.000 2.098 179 K HA 0.586 4.906 4.320 -0.000 0.000 0.257 179 K C 0.126 176.895 176.600 0.283 0.000 0.999 179 K CA -0.805 55.561 56.287 0.133 0.000 0.924 179 K CB 1.497 33.981 32.500 -0.028 0.000 1.028 179 K HN -0.091 nan 8.250 nan 0.000 0.466 180 V N 3.174 123.215 119.914 0.211 0.000 2.461 180 V HA 0.154 4.274 4.120 -0.000 0.000 0.275 180 V C 0.474 176.600 176.094 0.052 0.000 1.047 180 V CA -0.505 61.865 62.300 0.118 0.000 0.955 180 V CB 0.754 32.632 31.823 0.091 0.000 0.988 180 V HN 0.640 nan 8.190 nan 0.000 0.471 181 R N 3.225 123.555 120.500 -0.283 0.000 2.694 181 R HA 0.190 4.530 4.340 -0.000 0.000 0.268 181 R C 0.094 176.176 176.300 -0.363 0.000 1.061 181 R CA -0.531 55.098 56.100 -0.786 0.000 1.133 181 R CB 0.239 30.017 30.300 -0.871 0.000 1.020 181 R HN 0.664 nan 8.270 nan 0.000 0.475 182 H N 3.519 122.435 119.070 -0.256 0.000 2.928 182 H HA -0.031 4.525 4.556 -0.000 0.000 0.338 182 H C 0.551 175.855 175.328 -0.039 0.000 1.047 182 H CA 0.546 56.581 56.048 -0.021 0.000 1.435 182 H CB 0.611 30.393 29.762 0.032 0.000 1.428 182 H HN 0.542 nan 8.280 nan 0.000 0.590 183 K N 1.155 121.665 120.400 0.183 0.000 3.349 183 K HA -0.164 4.156 4.320 -0.000 0.000 0.310 183 K C 0.964 177.585 176.600 0.034 0.000 1.267 183 K CA 1.029 57.381 56.287 0.108 0.000 0.920 183 K CB -1.659 30.881 32.500 0.066 0.000 1.240 183 K HN 0.849 nan 8.250 nan 0.000 0.453 184 G N -0.159 108.646 108.800 0.007 0.000 3.651 184 G HA2 0.334 4.294 3.960 -0.000 0.000 0.279 184 G HA3 0.334 4.294 3.960 -0.000 0.000 0.279 184 G C 1.016 175.901 174.900 -0.025 0.000 1.024 184 G CA 0.377 45.451 45.100 -0.044 0.000 0.813 184 G HN 0.289 nan 8.290 nan 0.000 0.518 185 G N -0.369 108.453 108.800 0.037 0.000 2.939 185 G HA2 0.115 4.075 3.960 -0.000 0.000 0.210 185 G HA3 0.115 4.075 3.960 -0.000 0.000 0.210 185 G C 0.027 174.971 174.900 0.075 0.000 1.160 185 G CA -0.201 44.872 45.100 -0.044 0.000 0.770 185 G HN 0.382 nan 8.290 nan 0.000 0.543 186 Y N 1.788 122.069 120.300 -0.032 0.000 2.491 186 Y HA 0.511 5.061 4.550 -0.000 0.000 0.334 186 Y C -1.227 174.452 175.900 -0.367 0.000 0.969 186 Y CA -1.892 56.120 58.100 -0.146 0.000 1.241 186 Y CB 0.366 38.686 38.460 -0.233 0.000 1.105 186 Y HN 0.059 nan 8.280 nan 0.000 0.503 187 F N 5.138 125.087 119.950 -0.002 0.000 3.050 187 F HA 0.523 5.050 4.527 -0.000 0.000 0.382 187 F C -3.054 172.696 175.800 -0.084 0.000 1.246 187 F CA -3.735 54.192 58.000 -0.122 0.000 1.217 187 F CB -0.955 37.875 39.000 -0.284 0.000 1.795 187 F HN 0.242 nan 8.300 nan 0.000 0.622 188 P HA 0.218 nan 4.420 nan 0.000 0.268 188 P C 0.271 177.606 177.300 0.058 0.000 1.208 188 P CA -0.365 62.784 63.100 0.083 0.000 0.777 188 P CB 0.920 32.644 31.700 0.039 0.000 0.875 189 V N -0.689 119.252 119.914 0.045 0.000 3.319 189 V HA 0.500 4.620 4.120 -0.000 0.000 0.303 189 V C 0.452 176.551 176.094 0.008 0.000 1.094 189 V CA -0.994 61.315 62.300 0.014 0.000 1.106 189 V CB -0.391 31.433 31.823 0.002 0.000 1.099 189 V HN 0.703 nan 8.190 nan 0.000 0.476 190 A N 2.894 125.703 122.820 -0.017 0.000 2.483 190 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 190 A C -0.778 176.739 177.584 -0.111 0.000 1.070 190 A CA -0.437 51.568 52.037 -0.054 0.000 0.770 190 A CB -0.547 18.417 19.000 -0.060 0.000 1.008 190 A HN 0.958 nan 8.150 nan 0.000 0.497 191 P HA 0.039 nan 4.420 nan 0.000 0.255 191 P C 0.650 177.891 177.300 -0.099 0.000 1.248 191 P CA 0.154 63.099 63.100 -0.259 0.000 0.807 191 P CB 0.146 31.545 31.700 -0.503 0.000 1.150 192 N N 0.893 119.625 118.700 0.052 0.000 2.120 192 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 192 N C 0.362 175.914 175.510 0.071 0.000 1.024 192 N CA 0.952 54.100 53.050 0.164 0.000 0.852 192 N CB -0.675 37.920 38.487 0.181 0.000 1.003 192 N HN -0.014 nan 8.380 nan 0.000 0.424 193 D N 0.858 121.285 120.400 0.045 0.000 2.359 193 D HA 0.048 4.687 4.640 -0.000 0.000 0.250 193 D C 0.009 176.353 176.300 0.074 0.000 1.264 193 D CA 0.189 54.259 54.000 0.117 0.000 0.911 193 D CB 0.363 41.233 40.800 0.116 0.000 1.056 193 D HN 0.307 nan 8.370 nan 0.000 0.499 194 Q N 2.799 122.611 119.800 0.021 0.000 2.320 194 Q HA -0.007 4.333 4.340 -0.000 0.000 0.201 194 Q C -0.019 175.687 176.000 -0.490 0.000 0.910 194 Q CA 0.223 55.849 55.803 -0.295 0.000 0.946 194 Q CB 0.483 28.951 28.738 -0.449 0.000 1.062 194 Q HN 0.626 nan 8.270 nan 0.000 0.503 195 Y N -1.621 118.730 120.300 0.085 0.000 2.641 195 Y HA 0.110 4.659 4.550 -0.000 0.000 0.248 195 Y C 1.638 177.556 175.900 0.030 0.000 1.170 195 Y CA -0.321 57.806 58.100 0.047 0.000 1.201 195 Y CB 0.549 39.018 38.460 0.015 0.000 1.232 195 Y HN -0.130 nan 8.280 nan 0.000 0.537 196 V N 0.008 119.991 119.914 0.114 0.000 2.287 196 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 196 V C 1.755 177.880 176.094 0.052 0.000 1.053 196 V CA 2.332 64.674 62.300 0.071 0.000 1.027 196 V CB -0.195 31.646 31.823 0.029 0.000 0.646 196 V HN 0.354 nan 8.190 nan 0.000 0.447 197 D N -0.363 120.058 120.400 0.034 0.000 2.144 197 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 197 D C 1.928 178.254 176.300 0.044 0.000 0.978 197 D CA 1.004 55.020 54.000 0.026 0.000 0.833 197 D CB -0.248 40.556 40.800 0.007 0.000 0.961 197 D HN 0.340 nan 8.370 nan 0.000 0.470 198 L N 1.054 122.320 121.223 0.072 0.000 2.056 198 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 198 L C 2.068 178.988 176.870 0.083 0.000 1.078 198 L CA 1.569 56.462 54.840 0.087 0.000 0.749 198 L CB -0.205 41.936 42.059 0.137 0.000 0.901 198 L HN -0.141 nan 8.230 nan 0.000 0.433 199 R N -0.497 120.060 120.500 0.094 0.000 2.115 199 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 199 R C 1.782 178.112 176.300 0.051 0.000 1.111 199 R CA 1.240 57.386 56.100 0.076 0.000 0.976 199 R CB -0.435 29.904 30.300 0.065 0.000 0.870 199 R HN 0.430 nan 8.270 nan 0.000 0.445 200 D N 0.768 121.193 120.400 0.042 0.000 2.117 200 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 200 D C 1.672 177.985 176.300 0.023 0.000 0.987 200 D CA 1.263 55.279 54.000 0.028 0.000 0.829 200 D CB 0.011 40.823 40.800 0.020 0.000 0.961 200 D HN 0.135 nan 8.370 nan 0.000 0.460 201 K N -0.161 120.255 120.400 0.028 0.000 2.103 201 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 201 K C 2.235 178.846 176.600 0.019 0.000 1.048 201 K CA 0.962 57.264 56.287 0.026 0.000 0.930 201 K CB -0.072 32.452 32.500 0.039 0.000 0.716 201 K HN 0.149 nan 8.250 nan 0.000 0.444 202 M N 0.467 120.078 119.600 0.018 0.000 2.099 202 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 202 M C 2.119 178.401 176.300 -0.029 0.000 1.067 202 M CA 1.549 56.840 55.300 -0.015 0.000 1.124 202 M CB -0.315 32.275 32.600 -0.017 0.000 1.353 202 M HN 0.095 nan 8.290 nan 0.000 0.410 203 L N -0.646 120.579 121.223 0.003 0.000 2.042 203 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 203 L C 2.510 179.381 176.870 0.001 0.000 1.076 203 L CA 1.425 56.271 54.840 0.010 0.000 0.749 203 L CB -1.047 41.030 42.059 0.031 0.000 0.893 203 L HN 0.336 nan 8.230 nan 0.000 0.432 204 T N -0.743 113.811 114.554 0.000 0.000 2.777 204 T HA -0.126 4.223 4.350 -0.000 0.000 0.266 204 T C 1.713 176.402 174.700 -0.019 0.000 1.040 204 T CA 1.315 63.413 62.100 -0.003 0.000 1.141 204 T CB -0.253 68.614 68.868 -0.002 0.000 0.868 204 T HN 0.274 nan 8.240 nan 0.000 0.444 205 N N 1.212 119.888 118.700 -0.039 0.000 2.223 205 N HA 0.020 4.760 4.740 -0.000 0.000 0.185 205 N C 1.800 177.277 175.510 -0.056 0.000 1.016 205 N CA 0.784 53.788 53.050 -0.076 0.000 0.863 205 N CB -0.470 37.962 38.487 -0.092 0.000 0.983 205 N HN 0.358 nan 8.380 nan 0.000 0.429 206 L N 0.304 121.480 121.223 -0.078 0.000 2.044 206 L HA -0.024 4.315 4.340 -0.000 0.000 0.205 206 L C 2.122 179.067 176.870 0.125 0.000 1.075 206 L CA 0.674 55.442 54.840 -0.120 0.000 0.747 206 L CB -0.313 41.526 42.059 -0.366 0.000 0.903 206 L HN 0.069 nan 8.230 nan 0.000 0.435 207 I N 0.263 120.880 120.570 0.077 0.000 2.208 207 I HA -0.321 3.848 4.170 -0.000 0.000 0.245 207 I C 2.010 178.174 176.117 0.077 0.000 1.097 207 I CA 1.230 62.586 61.300 0.094 0.000 1.363 207 I CB -0.384 37.648 38.000 0.053 0.000 1.051 207 I HN 0.356 nan 8.210 nan 0.000 0.413 208 N N 0.210 118.935 118.700 0.042 0.000 2.453 208 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 208 N C 1.421 176.948 175.510 0.028 0.000 1.041 208 N CA 0.906 53.965 53.050 0.016 0.000 0.900 208 N CB -0.102 38.372 38.487 -0.021 0.000 0.961 208 N HN 0.212 nan 8.380 nan 0.000 0.443 209 S N -0.999 114.756 115.700 0.091 0.000 2.572 209 S HA 0.338 4.808 4.470 -0.000 0.000 0.228 209 S C 1.215 175.861 174.600 0.077 0.000 0.963 209 S CA 0.219 58.486 58.200 0.111 0.000 0.939 209 S CB 0.614 63.939 63.200 0.209 0.000 0.804 209 S HN 0.510 nan 8.310 nan 0.000 0.480 210 G N 1.152 109.990 108.800 0.063 0.000 2.159 210 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.227 210 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.227 210 G C -0.110 174.722 174.900 -0.113 0.000 0.986 210 G CA -0.665 44.401 45.100 -0.056 0.000 0.651 210 G HN 0.413 nan 8.290 nan 0.000 0.523 211 F N 0.288 120.206 119.950 -0.053 0.000 2.443 211 F HA 0.616 5.143 4.527 -0.000 0.000 0.353 211 F C 0.981 176.781 175.800 -0.001 0.000 1.101 211 F CA -0.745 57.226 58.000 -0.048 0.000 1.226 211 F CB 0.798 39.755 39.000 -0.072 0.000 1.140 211 F HN -0.075 nan 8.300 nan 0.000 0.557 212 I N 4.963 125.637 120.570 0.174 0.000 2.291 212 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 212 I C -0.451 175.785 176.117 0.198 0.000 1.064 212 I CA 0.017 61.392 61.300 0.125 0.000 1.269 212 I CB -0.019 38.001 38.000 0.033 0.000 1.418 212 I HN 0.209 nan 8.210 nan 0.000 0.485 213 L N 6.827 128.153 121.223 0.172 0.000 2.375 213 L HA 0.327 4.667 4.340 -0.000 0.000 0.271 213 L C 1.208 178.154 176.870 0.127 0.000 1.107 213 L CA 0.385 55.333 54.840 0.180 0.000 0.806 213 L CB 1.048 43.191 42.059 0.141 0.000 1.146 213 L HN 0.685 nan 8.230 nan 0.000 0.447 214 E N 1.624 121.903 120.200 0.130 0.000 2.279 214 E HA 0.092 4.442 4.350 -0.000 0.000 0.199 214 E C -0.335 176.316 176.600 0.085 0.000 0.893 214 E CA 0.227 56.683 56.400 0.093 0.000 0.978 214 E CB 0.910 30.660 29.700 0.083 0.000 0.964 214 E HN 0.609 nan 8.360 nan 0.000 0.486 215 K N -0.888 119.574 120.400 0.103 0.000 2.658 215 K HA 0.614 4.934 4.320 -0.000 0.000 0.293 215 K C -1.027 175.637 176.600 0.107 0.000 1.026 215 K CA -1.045 55.301 56.287 0.100 0.000 0.871 215 K CB 1.627 34.194 32.500 0.112 0.000 1.524 215 K HN 0.064 nan 8.250 nan 0.000 0.400 216 G N 0.785 109.634 108.800 0.082 0.000 2.701 216 G HA2 0.702 4.661 3.960 -0.000 0.000 0.300 216 G HA3 0.702 4.661 3.960 -0.000 0.000 0.300 216 G C -1.812 173.107 174.900 0.032 0.000 1.410 216 G CA -0.569 44.545 45.100 0.024 0.000 1.014 216 G HN 0.995 nan 8.290 nan 0.000 0.509 217 H N -0.973 118.073 119.070 -0.039 0.000 3.014 217 H HA 0.538 5.094 4.556 -0.000 0.000 0.337 217 H C -1.138 174.176 175.328 -0.024 0.000 1.320 217 H CA -1.061 54.946 56.048 -0.069 0.000 1.128 217 H CB 1.031 30.714 29.762 -0.132 0.000 1.862 217 H HN 0.490 nan 8.280 nan 0.000 0.536 218 H N 1.416 120.545 119.070 0.097 0.000 2.848 218 H HA 0.142 4.698 4.556 -0.000 0.000 0.341 218 H C -0.193 175.255 175.328 0.200 0.000 1.060 218 H CA 0.409 56.492 56.048 0.058 0.000 1.444 218 H CB 0.830 30.664 29.762 0.120 0.000 1.446 218 H HN 0.660 nan 8.280 nan 0.000 0.583 219 E N 2.761 123.063 120.200 0.170 0.000 2.330 219 E HA 0.057 4.406 4.350 -0.000 0.000 0.256 219 E C 1.526 178.335 176.600 0.348 0.000 1.146 219 E CA -0.655 55.918 56.400 0.289 0.000 0.945 219 E CB 1.493 31.188 29.700 -0.009 0.000 1.182 219 E HN 0.422 nan 8.360 nan 0.000 0.480 220 V N 0.489 120.566 119.914 0.272 0.000 2.392 220 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 220 V C 1.313 177.535 176.094 0.214 0.000 1.059 220 V CA 1.912 64.337 62.300 0.208 0.000 1.051 220 V CB -0.762 31.127 31.823 0.111 0.000 0.658 220 V HN 0.641 nan 8.190 nan 0.000 0.455 221 G N -0.055 108.862 108.800 0.196 0.000 2.406 221 G HA2 0.280 4.240 3.960 -0.000 0.000 0.251 221 G HA3 0.280 4.240 3.960 -0.000 0.000 0.251 221 G C 0.114 175.274 174.900 0.433 0.000 1.271 221 G CA 0.239 45.547 45.100 0.347 0.000 0.859 221 G HN 0.296 nan 8.290 nan 0.000 0.540 222 S N 0.582 116.554 115.700 0.453 0.000 2.573 222 S HA 0.429 4.899 4.470 -0.000 0.000 0.277 222 S C 1.525 176.436 174.600 0.519 0.000 1.346 222 S CA 1.095 59.515 58.200 0.367 0.000 1.034 222 S CB 0.268 63.555 63.200 0.145 0.000 0.879 222 S HN 2.218 nan 8.310 nan 0.000 0.528 223 G N 1.640 110.662 108.800 0.370 0.000 2.160 223 G HA2 0.081 4.041 3.960 -0.000 0.000 0.244 223 G HA3 0.081 4.041 3.960 -0.000 0.000 0.244 223 G C 1.000 176.164 174.900 0.439 0.000 1.022 223 G CA 0.423 45.814 45.100 0.484 0.000 0.741 223 G HN 2.123 nan 8.290 nan 0.000 0.508 224 G N -1.377 107.521 108.800 0.163 0.000 2.165 224 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.226 224 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.226 224 G C 0.163 174.594 174.900 -0.782 0.000 1.035 224 G CA 0.979 45.700 45.100 -0.630 0.000 0.744 224 G HN 1.349 nan 8.290 nan 0.000 0.501 225 Q N -0.164 119.236 119.800 -0.668 0.000 2.337 225 Q HA 0.578 4.918 4.340 -0.000 0.000 0.270 225 Q C 0.378 175.790 176.000 -0.980 0.000 1.002 225 Q CA 0.756 55.930 55.803 -1.048 0.000 0.888 225 Q CB 0.681 28.806 28.738 -1.021 0.000 1.222 225 Q HN 1.225 nan 8.270 nan 0.000 0.400 226 A N 3.674 125.821 122.820 -1.121 0.000 2.566 226 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 226 A C -1.574 175.384 177.584 -1.044 0.000 1.112 226 A CA -0.621 50.774 52.037 -1.070 0.000 0.707 226 A CB 2.102 20.379 19.000 -1.205 0.000 1.302 226 A HN 0.777 nan 8.150 nan 0.000 0.409 227 E N 0.388 120.154 120.200 -0.724 0.000 2.321 227 E HA 0.604 4.954 4.350 -0.000 0.000 0.281 227 E C -2.059 174.398 176.600 -0.239 0.000 0.910 227 E CA -0.410 55.732 56.400 -0.430 0.000 0.770 227 E CB 1.562 31.006 29.700 -0.426 0.000 1.225 227 E HN 0.564 nan 8.360 nan 0.000 0.417 228 I N 3.588 124.253 120.570 0.159 0.000 2.447 228 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 228 I C -0.869 175.391 176.117 0.238 0.000 1.023 228 I CA -0.752 60.685 61.300 0.229 0.000 1.083 228 I CB 1.885 40.106 38.000 0.369 0.000 1.245 228 I HN 0.440 nan 8.210 nan 0.000 0.434 229 N N 5.995 124.781 118.700 0.143 0.000 2.430 229 N HA 0.588 5.327 4.740 -0.000 0.000 0.292 229 N C -1.353 174.245 175.510 0.147 0.000 1.051 229 N CA -0.560 52.518 53.050 0.046 0.000 0.917 229 N CB 1.297 39.805 38.487 0.035 0.000 1.164 229 N HN 0.447 nan 8.380 nan 0.000 0.484 230 Y N -1.345 119.011 120.300 0.093 0.000 2.605 230 Y HA 0.432 4.981 4.550 -0.000 0.000 0.343 230 Y C -0.150 175.819 175.900 0.116 0.000 1.036 230 Y CA -1.492 56.692 58.100 0.139 0.000 1.065 230 Y CB 0.761 39.385 38.460 0.273 0.000 1.288 230 Y HN 0.368 nan 8.280 nan 0.000 0.481 231 Q N 2.310 122.254 119.800 0.241 0.000 2.330 231 Q HA 0.205 4.545 4.340 -0.000 0.000 0.279 231 Q C -0.516 175.523 176.000 0.066 0.000 1.024 231 Q CA -0.497 55.345 55.803 0.066 0.000 0.900 231 Q CB 0.335 29.020 28.738 -0.087 0.000 1.221 231 Q HN 0.640 nan 8.270 nan 0.000 0.396 232 F N 2.210 122.158 119.950 -0.003 0.000 2.586 232 F HA 0.290 4.817 4.527 -0.000 0.000 0.344 232 F C 0.023 175.875 175.800 0.086 0.000 1.188 232 F CA -0.487 57.532 58.000 0.031 0.000 1.359 232 F CB 0.373 39.358 39.000 -0.026 0.000 1.129 232 F HN 0.468 nan 8.300 nan 0.000 0.609 233 N N -0.710 118.188 118.700 0.330 0.000 2.972 233 N HA 0.295 5.035 4.740 -0.000 0.000 0.262 233 N C -1.539 174.296 175.510 0.541 0.000 1.478 233 N CA -0.288 52.968 53.050 0.342 0.000 0.841 233 N CB 2.136 40.763 38.487 0.234 0.000 1.512 233 N HN 0.848 nan 8.380 nan 0.000 0.548 234 S N 0.132 116.074 115.700 0.403 0.000 2.579 234 S HA 0.146 4.616 4.470 -0.000 0.000 0.275 234 S C 1.858 176.573 174.600 0.192 0.000 1.345 234 S CA -0.509 57.789 58.200 0.163 0.000 1.031 234 S CB 0.632 63.814 63.200 -0.031 0.000 0.892 234 S HN 0.610 nan 8.310 nan 0.000 0.529 235 L N 1.134 122.466 121.223 0.182 0.000 1.997 235 L HA -0.211 4.129 4.340 -0.000 0.000 0.227 235 L C 2.443 179.380 176.870 0.112 0.000 1.087 235 L CA 2.121 57.029 54.840 0.113 0.000 0.797 235 L CB -0.511 41.598 42.059 0.082 0.000 0.902 235 L HN 0.819 nan 8.230 nan 0.000 0.441 236 L N -0.783 120.475 121.223 0.057 0.000 2.017 236 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 236 L C 2.568 179.537 176.870 0.165 0.000 1.073 236 L CA 1.879 56.781 54.840 0.103 0.000 0.745 236 L CB -1.009 41.081 42.059 0.051 0.000 0.894 236 L HN 0.352 nan 8.230 nan 0.000 0.432 237 H N -0.033 119.116 119.070 0.132 0.000 2.353 237 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 237 H C 2.203 177.602 175.328 0.118 0.000 1.103 237 H CA 1.412 57.519 56.048 0.097 0.000 1.293 237 H CB -0.859 28.948 29.762 0.076 0.000 1.372 237 H HN 0.528 nan 8.280 nan 0.000 0.501 238 A N 0.936 123.945 122.820 0.315 0.000 1.902 238 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 238 A C 2.690 180.498 177.584 0.373 0.000 1.181 238 A CA 1.970 54.222 52.037 0.359 0.000 0.623 238 A CB -0.866 18.344 19.000 0.350 0.000 0.818 238 A HN 0.453 nan 8.150 nan 0.000 0.443 239 A N -0.449 122.506 122.820 0.225 0.000 1.930 239 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 239 A C 1.805 179.170 177.584 -0.366 0.000 1.175 239 A CA 1.684 53.549 52.037 -0.286 0.000 0.627 239 A CB -0.460 18.096 19.000 -0.740 0.000 0.815 239 A HN 0.456 nan 8.150 nan 0.000 0.443 240 D N 0.313 120.683 120.400 -0.051 0.000 2.097 240 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 240 D C 1.276 177.600 176.300 0.040 0.000 0.989 240 D CA 1.358 55.398 54.000 0.067 0.000 0.827 240 D CB -0.354 40.531 40.800 0.142 0.000 0.966 240 D HN 0.332 nan 8.370 nan 0.000 0.456 241 D N 0.186 120.618 120.400 0.052 0.000 2.133 241 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 241 D C 1.968 178.403 176.300 0.224 0.000 0.997 241 D CA 0.733 54.761 54.000 0.047 0.000 0.840 241 D CB -0.282 40.557 40.800 0.065 0.000 0.947 241 D HN 0.141 nan 8.370 nan 0.000 0.452 242 M N 0.676 120.400 119.600 0.207 0.000 2.086 242 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 242 M C 1.762 178.132 176.300 0.117 0.000 1.067 242 M CA 1.496 56.914 55.300 0.197 0.000 1.116 242 M CB -0.308 32.344 32.600 0.087 0.000 1.348 242 M HN -0.161 nan 8.290 nan 0.000 0.407 243 Q N -0.260 119.546 119.800 0.011 0.000 2.050 243 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 243 Q C 2.213 178.259 176.000 0.076 0.000 0.980 243 Q CA 1.567 57.371 55.803 0.001 0.000 0.840 243 Q CB -1.110 27.630 28.738 0.002 0.000 0.898 243 Q HN 0.539 nan 8.270 nan 0.000 0.424 244 L N 0.130 121.438 121.223 0.142 0.000 2.083 244 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 244 L C 2.282 179.324 176.870 0.286 0.000 1.083 244 L CA 1.676 56.651 54.840 0.226 0.000 0.752 244 L CB -0.947 41.260 42.059 0.246 0.000 0.899 244 L HN 0.201 nan 8.230 nan 0.000 0.433 245 Y N 0.492 120.871 120.300 0.132 0.000 2.097 245 Y HA -0.292 4.257 4.550 -0.000 0.000 0.282 245 Y C 2.439 178.288 175.900 -0.085 0.000 1.152 245 Y CA 2.288 60.334 58.100 -0.091 0.000 1.136 245 Y CB -0.185 38.236 38.460 -0.065 0.000 0.975 245 Y HN 0.167 nan 8.280 nan 0.000 0.498 246 K N -0.974 119.400 120.400 -0.043 0.000 2.097 246 K HA -0.250 4.070 4.320 -0.000 0.000 0.206 246 K C 2.007 178.496 176.600 -0.184 0.000 1.049 246 K CA 1.770 57.863 56.287 -0.324 0.000 0.933 246 K CB -0.628 31.574 32.500 -0.498 0.000 0.717 246 K HN 0.468 nan 8.250 nan 0.000 0.442 247 Y N 1.564 121.762 120.300 -0.170 0.000 2.181 247 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 247 Y C 1.812 177.644 175.900 -0.114 0.000 1.146 247 Y CA 1.367 59.385 58.100 -0.137 0.000 1.164 247 Y CB -0.121 38.293 38.460 -0.077 0.000 0.982 247 Y HN -0.063 nan 8.280 nan 0.000 0.515 248 I N -0.558 119.962 120.570 -0.084 0.000 2.252 248 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 248 I C 2.055 178.045 176.117 -0.212 0.000 1.102 248 I CA 0.622 61.907 61.300 -0.025 0.000 1.385 248 I CB -0.320 37.688 38.000 0.014 0.000 1.064 248 I HN 0.237 nan 8.210 nan 0.000 0.414 249 I N 1.085 121.411 120.570 -0.406 0.000 2.142 249 I HA -0.273 3.896 4.170 -0.000 0.000 0.240 249 I C 2.437 178.316 176.117 -0.396 0.000 1.078 249 I CA 1.735 62.721 61.300 -0.524 0.000 1.343 249 I CB -1.179 36.276 38.000 -0.910 0.000 1.046 249 I HN 0.237 nan 8.210 nan 0.000 0.405 250 K N 0.476 120.684 120.400 -0.319 0.000 2.057 250 K HA -0.149 4.170 4.320 -0.000 0.000 0.207 250 K C 1.804 178.218 176.600 -0.310 0.000 1.049 250 K CA 1.298 57.445 56.287 -0.232 0.000 0.931 250 K CB -0.115 32.278 32.500 -0.178 0.000 0.714 250 K HN 0.389 nan 8.250 nan 0.000 0.440 251 N N -0.100 118.224 118.700 -0.628 0.000 2.376 251 N HA -0.042 4.697 4.740 -0.000 0.000 0.177 251 N C 1.601 176.645 175.510 -0.777 0.000 1.024 251 N CA 1.002 53.480 53.050 -0.954 0.000 0.893 251 N CB 0.068 37.432 38.487 -1.872 0.000 0.980 251 N HN 0.138 nan 8.380 nan 0.000 0.439 252 T N 1.448 115.740 114.554 -0.435 0.000 2.746 252 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 252 T C 2.098 176.778 174.700 -0.033 0.000 1.039 252 T CA 1.351 63.444 62.100 -0.013 0.000 1.142 252 T CB -0.231 68.680 68.868 0.073 0.000 0.866 252 T HN 0.283 nan 8.240 nan 0.000 0.444 253 A N 1.286 124.064 122.820 -0.069 0.000 1.877 253 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 253 A C 2.170 179.772 177.584 0.028 0.000 1.186 253 A CA 1.320 53.354 52.037 -0.006 0.000 0.620 253 A CB -1.105 17.888 19.000 -0.011 0.000 0.822 253 A HN 0.712 nan 8.150 nan 0.000 0.443 254 W N 0.644 121.844 121.300 -0.167 0.000 2.358 254 W HA -0.163 4.497 4.660 -0.000 0.000 0.303 254 W C 1.996 178.453 176.519 -0.105 0.000 1.208 254 W CA 1.935 59.198 57.345 -0.138 0.000 1.274 254 W CB -0.314 29.025 29.460 -0.202 0.000 1.138 254 W HN 0.500 nan 8.180 nan 0.000 0.515 255 Q N -0.540 119.308 119.800 0.081 0.000 2.364 255 Q HA -0.115 4.225 4.340 -0.000 0.000 0.207 255 Q C 0.825 176.829 176.000 0.007 0.000 0.970 255 Q CA 0.779 56.617 55.803 0.058 0.000 0.888 255 Q CB -0.150 28.651 28.738 0.105 0.000 0.951 255 Q HN 0.253 nan 8.270 nan 0.000 0.469 256 N N -0.878 117.814 118.700 -0.013 0.000 2.275 256 N HA 0.100 4.840 4.740 -0.000 0.000 0.236 256 N C 0.225 175.706 175.510 -0.050 0.000 1.154 256 N CA 0.624 53.665 53.050 -0.015 0.000 0.866 256 N CB 1.608 40.107 38.487 0.020 0.000 1.093 256 N HN 0.268 nan 8.380 nan 0.000 0.515 257 G N 0.932 109.654 108.800 -0.130 0.000 2.136 257 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 257 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 257 G C 0.216 175.027 174.900 -0.148 0.000 0.989 257 G CA 0.313 45.310 45.100 -0.172 0.000 0.682 257 G HN 0.162 nan 8.290 nan 0.000 0.522 258 K N -0.695 119.635 120.400 -0.118 0.000 2.312 258 K HA 0.855 5.174 4.320 -0.000 0.000 0.236 258 K C -0.391 176.194 176.600 -0.025 0.000 1.079 258 K CA -0.218 56.057 56.287 -0.019 0.000 0.900 258 K CB 1.480 34.025 32.500 0.075 0.000 1.297 258 K HN 0.258 nan 8.250 nan 0.000 0.498 259 T N -0.101 114.515 114.554 0.104 0.000 3.011 259 T HA 0.410 4.760 4.350 -0.000 0.000 0.303 259 T C -1.453 173.361 174.700 0.190 0.000 0.997 259 T CA -0.548 61.676 62.100 0.206 0.000 1.007 259 T CB 0.842 69.856 68.868 0.244 0.000 1.017 259 T HN 0.118 nan 8.240 nan 0.000 0.443 260 V N 4.423 124.420 119.914 0.140 0.000 2.472 260 V HA 0.729 4.849 4.120 -0.000 0.000 0.290 260 V C 0.582 176.722 176.094 0.077 0.000 1.037 260 V CA -0.510 61.804 62.300 0.024 0.000 0.908 260 V CB 1.827 33.581 31.823 -0.115 0.000 0.985 260 V HN 0.985 nan 8.190 nan 0.000 0.454 261 T N 3.618 118.182 114.554 0.017 0.000 2.863 261 T HA 0.561 4.910 4.350 -0.000 0.000 0.285 261 T C -0.213 174.503 174.700 0.027 0.000 1.009 261 T CA -0.244 61.924 62.100 0.113 0.000 0.989 261 T CB 0.785 69.771 68.868 0.198 0.000 1.004 261 T HN 0.393 nan 8.240 nan 0.000 0.455 262 F N 3.417 123.436 119.950 0.115 0.000 2.639 262 F HA 0.355 4.882 4.527 -0.000 0.000 0.302 262 F C 1.202 177.073 175.800 0.118 0.000 1.097 262 F CA -0.722 57.360 58.000 0.136 0.000 1.294 262 F CB 0.253 39.320 39.000 0.112 0.000 1.027 262 F HN 0.528 nan 8.300 nan 0.000 0.550 263 M N 0.033 119.773 119.600 0.233 0.000 2.249 263 M HA 0.207 4.687 4.480 -0.000 0.000 0.340 263 M C -1.974 174.410 176.300 0.141 0.000 1.166 263 M CA -1.233 54.158 55.300 0.152 0.000 1.115 263 M CB 0.320 32.969 32.600 0.083 0.000 1.606 263 M HN -0.221 nan 8.290 nan 0.000 0.448 264 P HA -0.090 nan 4.420 nan 0.000 0.216 264 P C -0.199 177.146 177.300 0.076 0.000 1.150 264 P CA 1.667 64.816 63.100 0.081 0.000 0.837 264 P CB 0.136 31.855 31.700 0.032 0.000 0.786 265 K N -1.331 119.096 120.400 0.045 0.000 2.895 265 K HA 0.212 4.532 4.320 -0.000 0.000 0.191 265 K C -2.228 174.362 176.600 -0.017 0.000 1.117 265 K CA -1.517 54.781 56.287 0.018 0.000 0.988 265 K CB 0.404 32.898 32.500 -0.010 0.000 1.181 265 K HN -0.108 nan 8.250 nan 0.000 0.598 266 P HA -0.021 nan 4.420 nan 0.000 0.227 266 P C -0.323 176.946 177.300 -0.051 0.000 1.161 266 P CA 0.470 63.548 63.100 -0.038 0.000 0.788 266 P CB 0.540 32.293 31.700 0.088 0.000 0.822 267 L N -0.332 120.861 121.223 -0.050 0.000 2.341 267 L HA 0.430 4.769 4.340 -0.000 0.000 0.278 267 L C -0.154 176.737 176.870 0.036 0.000 1.005 267 L CA -1.359 53.476 54.840 -0.008 0.000 0.818 267 L CB 1.529 43.590 42.059 0.004 0.000 1.259 267 L HN -0.186 nan 8.230 nan 0.000 0.418 268 F N 2.505 122.405 119.950 -0.083 0.000 2.427 268 F HA 0.545 5.072 4.527 -0.000 0.000 0.352 268 F C 1.101 176.821 175.800 -0.133 0.000 1.100 268 F CA 0.129 58.065 58.000 -0.106 0.000 1.191 268 F CB 1.130 40.096 39.000 -0.056 0.000 1.128 268 F HN 0.705 nan 8.300 nan 0.000 0.533 269 G N 3.399 111.741 108.800 -0.763 0.000 2.148 269 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 269 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 269 G C -0.420 174.327 174.900 -0.255 0.000 0.981 269 G CA 0.259 44.999 45.100 -0.600 0.000 0.670 269 G HN 0.823 nan 8.290 nan 0.000 0.528 270 D N -0.753 119.491 120.400 -0.260 0.000 2.559 270 D HA 0.426 5.066 4.640 -0.000 0.000 0.250 270 D C 0.027 176.249 176.300 -0.131 0.000 1.135 270 D CA -0.781 53.226 54.000 0.013 0.000 0.955 270 D CB 0.811 41.763 40.800 0.253 0.000 1.442 270 D HN -0.042 nan 8.370 nan 0.000 0.471 271 N N -0.376 118.411 118.700 0.144 0.000 2.356 271 N HA 0.294 5.034 4.740 -0.000 0.000 0.252 271 N C 0.383 175.966 175.510 0.123 0.000 1.241 271 N CA 0.499 53.626 53.050 0.130 0.000 0.861 271 N CB 0.577 39.181 38.487 0.195 0.000 1.075 271 N HN 0.375 nan 8.380 nan 0.000 0.461 272 G N -0.092 108.739 108.800 0.052 0.000 2.563 272 G HA2 0.328 4.288 3.960 -0.000 0.000 0.283 272 G HA3 0.328 4.288 3.960 -0.000 0.000 0.283 272 G C -0.681 174.294 174.900 0.124 0.000 1.309 272 G CA -0.456 44.707 45.100 0.105 0.000 1.022 272 G HN 0.447 nan 8.290 nan 0.000 0.501 273 S N -0.671 115.101 115.700 0.120 0.000 2.498 273 S HA 0.617 5.086 4.470 -0.000 0.000 0.324 273 S C 0.525 175.165 174.600 0.066 0.000 1.071 273 S CA -0.366 57.874 58.200 0.066 0.000 1.113 273 S CB 1.205 64.460 63.200 0.091 0.000 0.976 273 S HN 0.925 nan 8.310 nan 0.000 0.462 274 G N 1.537 110.341 108.800 0.007 0.000 2.511 274 G HA2 0.628 4.587 3.960 -0.000 0.000 0.316 274 G HA3 0.628 4.587 3.960 -0.000 0.000 0.316 274 G C -0.584 174.300 174.900 -0.027 0.000 1.210 274 G CA -0.682 44.415 45.100 -0.004 0.000 0.969 274 G HN 0.621 nan 8.290 nan 0.000 0.492 275 M N 1.661 121.285 119.600 0.041 0.000 2.389 275 M HA 0.268 4.748 4.480 -0.000 0.000 0.206 275 M C -0.649 175.756 176.300 0.175 0.000 0.976 275 M CA -0.482 54.879 55.300 0.103 0.000 0.648 275 M CB -0.171 32.543 32.600 0.189 0.000 1.474 275 M HN 0.701 nan 8.290 nan 0.000 0.398 276 H N 0.432 119.585 119.070 0.138 0.000 3.001 276 H HA 0.066 4.622 4.556 -0.000 0.000 0.334 276 H C -0.450 174.993 175.328 0.192 0.000 1.034 276 H CA -0.251 55.871 56.048 0.123 0.000 1.420 276 H CB 0.527 30.365 29.762 0.126 0.000 1.405 276 H HN 0.512 nan 8.280 nan 0.000 0.593 277 C N 4.898 124.385 119.300 0.310 0.000 2.291 277 C HA 0.153 4.612 4.460 -0.000 0.000 0.322 277 C C 0.226 175.314 174.990 0.164 0.000 1.205 277 C CA -0.804 58.385 59.018 0.285 0.000 1.495 277 C CB -0.618 27.345 27.740 0.372 0.000 2.127 277 C HN 0.827 nan 8.230 nan 0.000 0.452 278 H N 2.665 121.767 119.070 0.053 0.000 2.767 278 H HA 0.247 4.803 4.556 -0.000 0.000 0.316 278 H C -0.235 174.978 175.328 -0.191 0.000 1.059 278 H CA 0.507 56.531 56.048 -0.041 0.000 1.461 278 H CB 0.958 30.690 29.762 -0.050 0.000 1.475 278 H HN 0.644 nan 8.280 nan 0.000 0.531 279 Q N 1.862 121.550 119.800 -0.186 0.000 2.323 279 Q HA 0.365 4.705 4.340 -0.000 0.000 0.271 279 Q C -1.058 174.729 176.000 -0.356 0.000 1.048 279 Q CA -0.830 54.711 55.803 -0.437 0.000 0.792 279 Q CB 2.539 30.948 28.738 -0.549 0.000 1.280 279 Q HN 0.740 nan 8.270 nan 0.000 0.441 280 S N 1.770 117.314 115.700 -0.260 0.000 2.546 280 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 280 S C -1.035 173.622 174.600 0.095 0.000 1.121 280 S CA -0.856 57.299 58.200 -0.075 0.000 0.887 280 S CB 1.023 64.322 63.200 0.166 0.000 1.094 280 S HN 0.496 nan 8.310 nan 0.000 0.474 281 L N 1.859 123.106 121.223 0.040 0.000 2.317 281 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 281 L C -1.233 175.789 176.870 0.253 0.000 1.024 281 L CA -0.494 54.434 54.840 0.147 0.000 0.810 281 L CB 1.033 43.105 42.059 0.022 0.000 1.240 281 L HN 0.710 nan 8.230 nan 0.000 0.427 282 W N 2.296 123.613 121.300 0.027 0.000 2.864 282 W HA 0.660 5.320 4.660 -0.000 0.000 0.343 282 W C -0.384 176.161 176.519 0.042 0.000 1.109 282 W CA -0.819 56.574 57.345 0.081 0.000 1.192 282 W CB 1.740 31.335 29.460 0.225 0.000 1.426 282 W HN 0.220 nan 8.180 nan 0.000 0.529 283 K N 1.666 122.216 120.400 0.251 0.000 2.513 283 K HA 0.267 4.587 4.320 -0.000 0.000 0.251 283 K C -0.489 176.203 176.600 0.154 0.000 0.939 283 K CA -0.369 56.011 56.287 0.156 0.000 0.793 283 K CB 1.205 33.755 32.500 0.082 0.000 1.241 283 K HN 0.530 nan 8.250 nan 0.000 0.431 284 D N 3.231 123.711 120.400 0.132 0.000 2.751 284 D HA -0.204 4.435 4.640 -0.000 0.000 0.233 284 D C 0.535 176.931 176.300 0.160 0.000 1.149 284 D CA 1.891 55.961 54.000 0.117 0.000 0.682 284 D CB -1.119 39.728 40.800 0.079 0.000 1.068 284 D HN 1.103 nan 8.370 nan 0.000 0.429 285 G N -1.445 107.501 108.800 0.244 0.000 2.148 285 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.254 285 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.254 285 G C 0.266 175.440 174.900 0.456 0.000 0.981 285 G CA 0.643 45.940 45.100 0.329 0.000 0.670 285 G HN 1.249 nan 8.290 nan 0.000 0.528 286 A N 0.352 123.389 122.820 0.361 0.000 2.371 286 A HA 0.909 5.229 4.320 -0.000 0.000 0.311 286 A C -2.376 175.081 177.584 -0.211 0.000 1.068 286 A CA -1.476 50.628 52.037 0.112 0.000 0.744 286 A CB 2.330 21.348 19.000 0.030 0.000 1.239 286 A HN 0.145 nan 8.150 nan 0.000 0.435 287 P HA 0.325 nan 4.420 nan 0.000 0.274 287 P C -0.089 176.879 177.300 -0.553 0.000 1.231 287 P CA -0.138 62.165 63.100 -1.328 0.000 0.790 287 P CB 1.003 31.761 31.700 -1.571 0.000 0.951 288 L N 0.990 121.957 121.223 -0.426 0.000 2.817 288 L HA 0.193 4.533 4.340 -0.000 0.000 0.248 288 L C 1.932 178.711 176.870 -0.152 0.000 1.133 288 L CA 0.156 54.877 54.840 -0.199 0.000 0.935 288 L CB -0.269 41.722 42.059 -0.114 0.000 1.266 288 L HN 0.190 nan 8.230 nan 0.000 0.535 289 M N -0.571 118.919 119.600 -0.183 0.000 2.595 289 M HA 0.060 4.540 4.480 -0.000 0.000 0.248 289 M C 0.172 176.448 176.300 -0.040 0.000 1.119 289 M CA 0.688 55.917 55.300 -0.117 0.000 1.079 289 M CB -0.682 31.839 32.600 -0.133 0.000 1.472 289 M HN 0.055 nan 8.290 nan 0.000 0.501 290 Y N 1.427 121.628 120.300 -0.166 0.000 2.331 290 Y HA 0.417 4.966 4.550 -0.000 0.000 0.338 290 Y C -0.945 174.895 175.900 -0.101 0.000 0.992 290 Y CA -1.114 56.908 58.100 -0.129 0.000 1.121 290 Y CB 0.784 39.159 38.460 -0.141 0.000 1.184 290 Y HN -0.015 nan 8.280 nan 0.000 0.469 291 D N 5.263 125.234 120.400 -0.714 0.000 2.763 291 D HA 0.067 4.707 4.640 -0.000 0.000 0.235 291 D C 0.378 176.222 176.300 -0.761 0.000 1.334 291 D CA -0.269 53.371 54.000 -0.601 0.000 0.950 291 D CB 1.442 42.072 40.800 -0.285 0.000 1.433 291 D HN 0.833 nan 8.370 nan 0.000 0.580 292 E N 1.943 121.708 120.200 -0.724 0.000 2.265 292 E HA -0.154 4.195 4.350 -0.000 0.000 0.196 292 E C 0.985 177.450 176.600 -0.226 0.000 0.996 292 E CA 1.383 57.525 56.400 -0.430 0.000 0.832 292 E CB 0.344 29.955 29.700 -0.148 0.000 0.756 292 E HN 0.565 nan 8.360 nan 0.000 0.491 293 T N -2.883 111.555 114.554 -0.193 0.000 3.081 293 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 293 T C 0.893 175.539 174.700 -0.089 0.000 1.100 293 T CA 0.180 62.214 62.100 -0.110 0.000 1.038 293 T CB 0.351 69.170 68.868 -0.082 0.000 0.962 293 T HN 0.099 nan 8.240 nan 0.000 0.516 294 G N 0.337 109.062 108.800 -0.124 0.000 2.507 294 G HA2 0.433 4.393 3.960 -0.000 0.000 0.271 294 G HA3 0.433 4.393 3.960 -0.000 0.000 0.271 294 G C -0.855 174.040 174.900 -0.008 0.000 1.189 294 G CA -0.995 44.072 45.100 -0.055 0.000 0.859 294 G HN 0.440 nan 8.290 nan 0.000 0.542 295 Y N 1.439 121.717 120.300 -0.036 0.000 2.810 295 Y HA 0.210 4.759 4.550 -0.000 0.000 0.332 295 Y C 1.156 177.058 175.900 0.002 0.000 1.243 295 Y CA 0.864 58.955 58.100 -0.015 0.000 1.537 295 Y CB 0.415 38.878 38.460 0.006 0.000 1.265 295 Y HN 1.373 nan 8.280 nan 0.000 0.572 296 A N 3.873 126.266 122.820 -0.711 0.000 2.816 296 A HA -0.172 4.148 4.320 -0.000 0.000 0.270 296 A C 1.573 179.052 177.584 -0.176 0.000 1.413 296 A CA 1.442 53.196 52.037 -0.471 0.000 0.866 296 A CB -2.408 16.327 19.000 -0.441 0.000 1.032 296 A HN 2.619 nan 8.150 nan 0.000 0.642 297 G N -2.645 106.053 108.800 -0.169 0.000 2.198 297 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.260 297 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.260 297 G C -0.033 174.732 174.900 -0.226 0.000 1.025 297 G CA 0.607 45.582 45.100 -0.209 0.000 0.769 297 G HN 1.479 nan 8.290 nan 0.000 0.507 298 L N 1.260 122.404 121.223 -0.131 0.000 2.307 298 L HA 0.580 4.919 4.340 -0.000 0.000 0.282 298 L C 1.292 178.080 176.870 -0.137 0.000 1.051 298 L CA -0.402 54.382 54.840 -0.093 0.000 0.804 298 L CB 1.638 43.696 42.059 -0.002 0.000 1.197 298 L HN 0.379 nan 8.230 nan 0.000 0.431 299 S N 0.045 115.660 115.700 -0.142 0.000 2.608 299 S HA 0.102 4.572 4.470 -0.000 0.000 0.261 299 S C 0.540 175.046 174.600 -0.157 0.000 1.314 299 S CA -0.726 57.390 58.200 -0.141 0.000 0.992 299 S CB 1.052 64.183 63.200 -0.115 0.000 0.935 299 S HN 0.595 nan 8.310 nan 0.000 0.564 300 D N 1.280 121.578 120.400 -0.170 0.000 2.149 300 D HA -0.067 4.573 4.640 -0.000 0.000 0.198 300 D C 1.967 178.071 176.300 -0.326 0.000 0.990 300 D CA 1.780 55.600 54.000 -0.299 0.000 0.839 300 D CB -0.948 39.750 40.800 -0.170 0.000 0.948 300 D HN 0.697 nan 8.370 nan 0.000 0.460 301 T N 0.561 115.053 114.554 -0.103 0.000 2.674 301 T HA -0.142 4.207 4.350 -0.000 0.000 0.265 301 T C 2.033 176.731 174.700 -0.003 0.000 1.039 301 T CA 1.721 63.825 62.100 0.006 0.000 1.150 301 T CB -0.406 68.468 68.868 0.010 0.000 0.864 301 T HN 0.216 nan 8.240 nan 0.000 0.427 302 A N 1.445 124.223 122.820 -0.070 0.000 1.908 302 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 302 A C 2.314 179.847 177.584 -0.085 0.000 1.181 302 A CA 1.833 53.822 52.037 -0.080 0.000 0.627 302 A CB -0.592 18.346 19.000 -0.104 0.000 0.818 302 A HN 0.398 nan 8.150 nan 0.000 0.445 303 R N -1.341 119.054 120.500 -0.175 0.000 2.092 303 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 303 R C 1.976 178.165 176.300 -0.184 0.000 1.119 303 R CA 1.688 57.638 56.100 -0.250 0.000 0.970 303 R CB -0.345 29.784 30.300 -0.285 0.000 0.864 303 R HN 0.802 nan 8.270 nan 0.000 0.440 304 H N -2.114 116.928 119.070 -0.046 0.000 2.428 304 H HA -0.138 4.417 4.556 -0.000 0.000 0.296 304 H C 1.548 176.869 175.328 -0.012 0.000 1.062 304 H CA 1.326 57.351 56.048 -0.038 0.000 1.350 304 H CB 0.010 29.761 29.762 -0.019 0.000 1.403 304 H HN 0.267 nan 8.280 nan 0.000 0.533 305 Y N 1.159 121.464 120.300 0.008 0.000 2.145 305 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 305 Y C 2.156 178.000 175.900 -0.094 0.000 1.145 305 Y CA 1.365 59.448 58.100 -0.029 0.000 1.148 305 Y CB -0.146 38.288 38.460 -0.045 0.000 0.981 305 Y HN 0.074 nan 8.280 nan 0.000 0.507 306 I N -0.327 120.281 120.570 0.064 0.000 2.179 306 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 306 I C 2.693 178.725 176.117 -0.142 0.000 1.088 306 I CA 1.449 62.683 61.300 -0.109 0.000 1.357 306 I CB -1.060 36.739 38.000 -0.335 0.000 1.051 306 I HN 0.372 nan 8.210 nan 0.000 0.409 307 G N 0.582 109.313 108.800 -0.115 0.000 2.469 307 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 307 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 307 G C 1.704 176.560 174.900 -0.073 0.000 1.150 307 G CA 1.004 46.058 45.100 -0.076 0.000 0.763 307 G HN 0.515 nan 8.290 nan 0.000 0.561 308 G N 0.756 109.505 108.800 -0.085 0.000 2.421 308 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 308 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 308 G C 1.831 176.689 174.900 -0.071 0.000 1.171 308 G CA 0.776 45.837 45.100 -0.065 0.000 0.775 308 G HN 0.424 nan 8.290 nan 0.000 0.543 309 L N -0.062 121.045 121.223 -0.194 0.000 2.012 309 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 309 L C 2.891 179.671 176.870 -0.149 0.000 1.073 309 L CA 0.867 55.541 54.840 -0.276 0.000 0.748 309 L CB -0.369 41.368 42.059 -0.537 0.000 0.891 309 L HN 0.187 nan 8.230 nan 0.000 0.431 310 L N -1.532 119.638 121.223 -0.089 0.000 2.240 310 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 310 L C 2.544 179.410 176.870 -0.007 0.000 1.106 310 L CA 0.676 55.517 54.840 0.001 0.000 0.793 310 L CB -0.640 41.437 42.059 0.030 0.000 0.927 310 L HN 0.333 nan 8.230 nan 0.000 0.446 311 H N -0.580 118.392 119.070 -0.162 0.000 2.363 311 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 311 H C 2.090 177.215 175.328 -0.338 0.000 1.074 311 H CA 1.550 57.436 56.048 -0.271 0.000 1.354 311 H CB 0.183 29.705 29.762 -0.400 0.000 1.397 311 H HN 0.228 nan 8.280 nan 0.000 0.516 312 H N -0.432 118.459 119.070 -0.299 0.000 2.548 312 H HA 0.269 4.825 4.556 -0.000 0.000 0.265 312 H C 2.141 177.380 175.328 -0.149 0.000 0.969 312 H CA 0.599 56.398 56.048 -0.415 0.000 1.155 312 H CB -0.023 29.308 29.762 -0.719 0.000 1.394 312 H HN 0.531 nan 8.280 nan 0.000 0.570 313 A N 2.351 125.195 122.820 0.041 0.000 1.915 313 A HA -0.174 4.145 4.320 -0.000 0.000 0.220 313 A C -0.136 177.544 177.584 0.160 0.000 1.198 313 A CA 1.608 53.741 52.037 0.160 0.000 0.647 313 A CB -1.423 17.686 19.000 0.181 0.000 0.825 313 A HN 0.293 nan 8.150 nan 0.000 0.456 314 P HA -0.170 nan 4.420 nan 0.000 0.218 314 P C 1.685 179.057 177.300 0.121 0.000 1.146 314 P CA 2.149 65.301 63.100 0.086 0.000 0.820 314 P CB -0.105 31.607 31.700 0.021 0.000 0.778 315 S N -2.284 113.509 115.700 0.156 0.000 2.527 315 S HA 0.050 4.519 4.470 -0.000 0.000 0.227 315 S C 1.710 176.470 174.600 0.267 0.000 1.059 315 S CA -0.062 58.263 58.200 0.209 0.000 0.919 315 S CB -1.336 62.028 63.200 0.272 0.000 0.805 315 S HN -0.007 nan 8.310 nan 0.000 0.500 316 L N 2.282 123.700 121.223 0.325 0.000 2.079 316 L HA 0.166 4.506 4.340 -0.000 0.000 0.210 316 L C 2.005 179.089 176.870 0.358 0.000 1.081 316 L CA 1.626 56.693 54.840 0.379 0.000 0.752 316 L CB -0.823 41.452 42.059 0.360 0.000 0.896 316 L HN 0.376 nan 8.230 nan 0.000 0.433 317 L N -0.430 120.985 121.223 0.320 0.000 2.450 317 L HA -0.124 4.216 4.340 -0.000 0.000 0.224 317 L C 2.518 179.572 176.870 0.307 0.000 1.149 317 L CA 0.818 55.850 54.840 0.320 0.000 0.816 317 L CB -1.112 41.145 42.059 0.330 0.000 0.932 317 L HN 0.437 nan 8.230 nan 0.000 0.449 318 A N -0.346 122.608 122.820 0.223 0.000 2.067 318 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 318 A C 1.889 179.538 177.584 0.107 0.000 1.158 318 A CA 1.308 53.423 52.037 0.130 0.000 0.661 318 A CB -0.389 18.596 19.000 -0.025 0.000 0.801 318 A HN 0.383 nan 8.150 nan 0.000 0.452 319 F N -0.824 119.290 119.950 0.274 0.000 2.622 319 F HA 0.020 4.546 4.527 -0.000 0.000 0.288 319 F C 2.668 178.600 175.800 0.221 0.000 1.120 319 F CA 1.120 59.224 58.000 0.174 0.000 1.423 319 F CB 0.217 39.184 39.000 -0.055 0.000 1.127 319 F HN 0.291 nan 8.300 nan 0.000 0.588 320 T N -3.208 111.583 114.554 0.395 0.000 3.044 320 T HA 0.104 4.454 4.350 -0.000 0.000 0.255 320 T C 0.463 175.290 174.700 0.211 0.000 1.073 320 T CA 0.444 62.732 62.100 0.313 0.000 1.125 320 T CB -0.315 68.758 68.868 0.341 0.000 0.908 320 T HN -0.023 nan 8.240 nan 0.000 0.480 321 N N 2.311 121.132 118.700 0.203 0.000 2.765 321 N HA 0.340 5.080 4.740 -0.000 0.000 0.277 321 N C -2.532 173.097 175.510 0.199 0.000 1.750 321 N CA -1.364 51.734 53.050 0.080 0.000 0.827 321 N CB 1.977 40.384 38.487 -0.132 0.000 1.200 321 N HN 0.252 nan 8.380 nan 0.000 0.494 322 P HA 0.020 nan 4.420 nan 0.000 0.255 322 P C -0.191 177.225 177.300 0.192 0.000 1.248 322 P CA 0.499 63.778 63.100 0.298 0.000 0.807 322 P CB 0.251 32.216 31.700 0.443 0.000 1.150 323 T N -4.597 110.070 114.554 0.187 0.000 2.926 323 T HA 0.368 4.718 4.350 -0.000 0.000 0.289 323 T C 1.183 176.004 174.700 0.201 0.000 1.054 323 T CA -0.669 61.511 62.100 0.133 0.000 1.015 323 T CB 1.289 70.207 68.868 0.084 0.000 1.167 323 T HN -0.297 nan 8.240 nan 0.000 0.526 324 V N 1.460 121.445 119.914 0.119 0.000 2.427 324 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 324 V C 2.820 179.007 176.094 0.155 0.000 1.051 324 V CA 2.029 64.410 62.300 0.134 0.000 1.048 324 V CB -1.006 30.840 31.823 0.039 0.000 0.666 324 V HN 0.992 nan 8.190 nan 0.000 0.456 325 N N -0.008 118.736 118.700 0.074 0.000 2.309 325 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 325 N C 1.943 177.471 175.510 0.030 0.000 1.018 325 N CA 1.289 54.359 53.050 0.034 0.000 0.876 325 N CB 0.078 38.555 38.487 -0.016 0.000 0.972 325 N HN 0.431 nan 8.380 nan 0.000 0.434 326 S N 0.060 115.767 115.700 0.012 0.000 2.380 326 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 326 S C 1.261 175.675 174.600 -0.310 0.000 1.043 326 S CA 1.341 59.433 58.200 -0.180 0.000 1.038 326 S CB -0.413 62.585 63.200 -0.338 0.000 0.872 326 S HN 0.503 nan 8.310 nan 0.000 0.456 327 Y N 0.712 121.039 120.300 0.046 0.000 2.546 327 Y HA 0.162 4.712 4.550 -0.000 0.000 0.287 327 Y C 2.015 177.942 175.900 0.045 0.000 1.158 327 Y CA 0.327 58.457 58.100 0.049 0.000 1.307 327 Y CB -0.008 38.478 38.460 0.044 0.000 1.036 327 Y HN 0.030 nan 8.280 nan 0.000 0.532 328 K N 0.163 120.625 120.400 0.102 0.000 2.296 328 K HA -0.026 4.294 4.320 -0.000 0.000 0.200 328 K C 2.065 178.683 176.600 0.031 0.000 1.048 328 K CA 0.497 56.825 56.287 0.067 0.000 0.966 328 K CB 0.026 32.551 32.500 0.043 0.000 0.754 328 K HN 0.166 nan 8.250 nan 0.000 0.466 329 R N 0.305 120.806 120.500 0.001 0.000 2.127 329 R HA 0.099 4.439 4.340 -0.000 0.000 0.217 329 R C 0.221 176.540 176.300 0.031 0.000 1.074 329 R CA 0.491 56.587 56.100 -0.006 0.000 0.991 329 R CB 0.082 30.376 30.300 -0.010 0.000 0.895 329 R HN 0.078 nan 8.270 nan 0.000 0.450 330 L N 3.579 124.817 121.223 0.024 0.000 2.511 330 L HA 0.149 4.488 4.340 -0.000 0.000 0.239 330 L C -0.469 176.469 176.870 0.114 0.000 1.400 330 L CA -0.463 54.419 54.840 0.070 0.000 1.226 330 L CB 0.090 42.182 42.059 0.056 0.000 1.475 330 L HN 0.062 nan 8.230 nan 0.000 0.428 331 V N -1.597 118.388 119.914 0.118 0.000 3.007 331 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 331 V C -2.564 173.580 176.094 0.083 0.000 1.120 331 V CA -2.225 60.149 62.300 0.124 0.000 0.980 331 V CB 1.986 33.895 31.823 0.143 0.000 1.033 331 V HN 0.057 nan 8.190 nan 0.000 0.429 332 P HA 0.408 nan 4.420 nan 0.000 0.271 332 P C 0.733 177.603 177.300 -0.717 0.000 1.218 332 P CA 1.346 64.224 63.100 -0.370 0.000 0.780 332 P CB 1.204 32.829 31.700 -0.124 0.000 0.901 333 G N 1.166 109.036 108.800 -1.551 0.000 2.144 333 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.218 333 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.218 333 G C -0.123 174.117 174.900 -1.100 0.000 0.988 333 G CA -0.249 44.117 45.100 -1.223 0.000 0.659 333 G HN 0.500 nan 8.290 nan 0.000 0.522 334 Y N 0.000 120.061 120.300 -0.398 0.000 2.738 334 Y HA 0.434 4.984 4.550 -0.000 0.000 0.249 334 Y C 1.072 176.973 175.900 0.001 0.000 1.153 334 Y CA -0.251 57.773 58.100 -0.126 0.000 1.165 334 Y CB 0.171 38.581 38.460 -0.084 0.000 1.235 334 Y HN 0.411 nan 8.280 nan 0.000 0.559 335 E N -0.653 119.658 120.200 0.185 0.000 2.971 335 E HA -0.225 4.125 4.350 -0.000 0.000 0.278 335 E C 0.215 176.961 176.600 0.243 0.000 1.009 335 E CA 0.530 57.077 56.400 0.245 0.000 0.862 335 E CB -1.251 28.535 29.700 0.143 0.000 1.436 335 E HN 0.400 nan 8.360 nan 0.000 0.434 336 A N 0.530 123.505 122.820 0.259 0.000 2.311 336 A HA 0.690 5.010 4.320 -0.000 0.000 0.334 336 A C -2.513 175.217 177.584 0.244 0.000 1.139 336 A CA -1.519 50.645 52.037 0.211 0.000 0.830 336 A CB 0.935 20.033 19.000 0.164 0.000 1.234 336 A HN -0.135 nan 8.150 nan 0.000 0.483 337 P HA 0.363 nan 4.420 nan 0.000 0.274 337 P C 0.191 177.606 177.300 0.191 0.000 1.231 337 P CA -0.033 63.166 63.100 0.165 0.000 0.790 337 P CB 0.427 32.187 31.700 0.100 0.000 0.951 338 I N -1.886 118.808 120.570 0.207 0.000 4.439 338 I HA 0.367 4.537 4.170 -0.000 0.000 0.331 338 I C -0.161 176.041 176.117 0.142 0.000 1.345 338 I CA -0.262 61.150 61.300 0.186 0.000 1.193 338 I CB 0.060 38.201 38.000 0.235 0.000 1.221 338 I HN 0.188 nan 8.210 nan 0.000 0.429 339 N N 1.036 119.808 118.700 0.121 0.000 2.972 339 N HA 0.444 5.184 4.740 -0.000 0.000 0.262 339 N C -0.996 174.579 175.510 0.108 0.000 1.478 339 N CA -0.942 52.168 53.050 0.100 0.000 0.841 339 N CB 0.909 39.439 38.487 0.072 0.000 1.512 339 N HN 0.060 nan 8.380 nan 0.000 0.548 340 L N 0.669 121.953 121.223 0.101 0.000 2.783 340 L HA 0.492 4.832 4.340 -0.000 0.000 0.235 340 L C -0.766 176.173 176.870 0.115 0.000 1.260 340 L CA -0.644 54.269 54.840 0.122 0.000 1.184 340 L CB 0.064 42.188 42.059 0.109 0.000 1.472 340 L HN 0.231 nan 8.230 nan 0.000 0.426 341 V N 0.289 120.270 119.914 0.112 0.000 2.581 341 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 341 V C -0.537 175.658 176.094 0.168 0.000 1.041 341 V CA -0.739 61.621 62.300 0.100 0.000 0.907 341 V CB 1.986 33.823 31.823 0.023 0.000 0.994 341 V HN 0.388 nan 8.190 nan 0.000 0.442 342 Y N 2.269 122.580 120.300 0.020 0.000 2.409 342 Y HA 0.841 5.391 4.550 -0.000 0.000 0.339 342 Y C -0.252 175.670 175.900 0.037 0.000 1.033 342 Y CA -0.544 57.579 58.100 0.038 0.000 1.094 342 Y CB 2.011 40.500 38.460 0.048 0.000 1.210 342 Y HN 0.585 nan 8.280 nan 0.000 0.456 343 S N 3.741 119.391 115.700 -0.084 0.000 2.563 343 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 343 S C -1.530 173.088 174.600 0.030 0.000 1.155 343 S CA -0.976 57.160 58.200 -0.106 0.000 0.928 343 S CB 0.964 64.109 63.200 -0.091 0.000 1.107 343 S HN 1.032 nan 8.310 nan 0.000 0.462 344 Q N 3.561 123.406 119.800 0.075 0.000 2.364 344 Q HA 0.430 4.770 4.340 -0.000 0.000 0.267 344 Q C 0.562 176.550 176.000 -0.020 0.000 0.999 344 Q CA -0.081 55.714 55.803 -0.013 0.000 0.886 344 Q CB 0.298 28.934 28.738 -0.171 0.000 1.243 344 Q HN 0.847 nan 8.270 nan 0.000 0.415 345 R N 0.482 120.969 120.500 -0.021 0.000 4.010 345 R HA -0.224 4.115 4.340 -0.000 0.000 0.409 345 R C -0.879 175.403 176.300 -0.030 0.000 1.120 345 R CA 1.159 57.245 56.100 -0.023 0.000 1.244 345 R CB -1.055 29.226 30.300 -0.030 0.000 1.799 345 R HN 0.884 nan 8.270 nan 0.000 0.559 346 N N 0.642 119.321 118.700 -0.034 0.000 2.546 346 N HA 0.179 4.918 4.740 -0.000 0.000 0.238 346 N C 0.235 175.707 175.510 -0.064 0.000 0.984 346 N CA -0.329 52.687 53.050 -0.056 0.000 0.935 346 N CB 0.740 39.188 38.487 -0.064 0.000 1.122 346 N HN 0.193 nan 8.380 nan 0.000 0.510 347 R N 0.634 121.095 120.500 -0.066 0.000 2.323 347 R HA 0.018 4.358 4.340 -0.000 0.000 0.198 347 R C 1.213 177.490 176.300 -0.038 0.000 0.988 347 R CA 0.510 56.578 56.100 -0.053 0.000 1.041 347 R CB 0.170 30.450 30.300 -0.033 0.000 0.926 347 R HN 0.535 nan 8.270 nan 0.000 0.476 348 S N -1.010 114.609 115.700 -0.135 0.000 2.535 348 S HA 0.235 4.705 4.470 -0.000 0.000 0.214 348 S C 0.852 175.345 174.600 -0.179 0.000 0.980 348 S CA -0.333 57.686 58.200 -0.302 0.000 0.907 348 S CB 0.542 63.262 63.200 -0.799 0.000 0.790 348 S HN 0.200 nan 8.310 nan 0.000 0.510 349 A N 0.327 123.091 122.820 -0.093 0.000 2.271 349 A HA 0.577 4.897 4.320 -0.000 0.000 0.288 349 A C 1.465 179.070 177.584 0.035 0.000 1.094 349 A CA -0.253 51.769 52.037 -0.026 0.000 0.828 349 A CB 0.272 19.265 19.000 -0.011 0.000 1.091 349 A HN 0.425 nan 8.150 nan 0.000 0.493 350 C N -0.072 119.285 119.300 0.095 0.000 2.466 350 C HA 0.243 4.703 4.460 -0.000 0.000 0.278 350 C C 0.740 175.865 174.990 0.226 0.000 1.288 350 C CA 0.846 59.959 59.018 0.158 0.000 1.722 350 C CB -0.684 27.189 27.740 0.222 0.000 2.017 350 C HN 0.510 nan 8.230 nan 0.000 0.488 351 V N 2.442 122.497 119.914 0.234 0.000 2.409 351 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 351 V C -0.157 176.035 176.094 0.163 0.000 1.020 351 V CA -0.391 62.050 62.300 0.236 0.000 0.848 351 V CB 1.250 33.226 31.823 0.255 0.000 0.990 351 V HN 0.416 nan 8.190 nan 0.000 0.430 352 R N 5.402 125.944 120.500 0.071 0.000 2.532 352 R HA 0.594 4.934 4.340 -0.000 0.000 0.295 352 R C -1.198 175.127 176.300 0.042 0.000 0.968 352 R CA -0.737 55.384 56.100 0.035 0.000 0.916 352 R CB 1.241 31.520 30.300 -0.037 0.000 1.124 352 R HN 0.548 nan 8.270 nan 0.000 0.463 353 I N 6.408 127.019 120.570 0.068 0.000 2.306 353 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 353 I C -2.087 174.043 176.117 0.021 0.000 1.036 353 I CA -3.028 58.302 61.300 0.051 0.000 1.221 353 I CB 0.889 38.934 38.000 0.076 0.000 1.385 353 I HN 0.528 nan 8.210 nan 0.000 0.472 354 P HA 0.167 nan 4.420 nan 0.000 0.271 354 P C -0.357 176.961 177.300 0.030 0.000 1.218 354 P CA -0.333 62.799 63.100 0.054 0.000 0.780 354 P CB 1.060 32.836 31.700 0.126 0.000 0.901 355 I N 3.213 123.794 120.570 0.019 0.000 2.379 355 I HA 0.069 4.239 4.170 -0.000 0.000 0.290 355 I C 1.551 177.677 176.117 0.014 0.000 1.063 355 I CA 0.481 61.784 61.300 0.004 0.000 1.351 355 I CB -0.376 37.620 38.000 -0.006 0.000 1.410 355 I HN 0.478 nan 8.210 nan 0.000 0.505 356 T N 1.190 115.750 114.554 0.010 0.000 2.986 356 T HA 0.473 4.823 4.350 -0.000 0.000 0.264 356 T C 0.873 175.567 174.700 -0.010 0.000 0.964 356 T CA 0.226 62.328 62.100 0.004 0.000 0.895 356 T CB 0.740 69.609 68.868 0.002 0.000 1.163 356 T HN 0.938 nan 8.240 nan 0.000 0.517 357 G N 1.948 110.747 108.800 -0.001 0.000 2.508 357 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 357 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 357 G C 0.826 175.723 174.900 -0.006 0.000 1.287 357 G CA 0.541 45.639 45.100 -0.004 0.000 0.916 357 G HN 1.139 nan 8.290 nan 0.000 0.574 358 S N -0.268 115.403 115.700 -0.049 0.000 2.535 358 S HA 0.190 4.660 4.470 -0.000 0.000 0.214 358 S C 0.828 175.179 174.600 -0.415 0.000 0.980 358 S CA 1.050 59.185 58.200 -0.108 0.000 0.907 358 S CB 0.078 63.272 63.200 -0.010 0.000 0.790 358 S HN 1.072 nan 8.310 nan 0.000 0.510 359 N N 3.848 122.368 118.700 -0.300 0.000 2.429 359 N HA 0.205 4.945 4.740 -0.000 0.000 0.271 359 N C -1.906 173.310 175.510 -0.489 0.000 1.272 359 N CA -1.781 51.082 53.050 -0.312 0.000 0.921 359 N CB 1.070 39.467 38.487 -0.149 0.000 1.128 359 N HN 0.068 nan 8.380 nan 0.000 0.481 360 P HA -0.110 nan 4.420 nan 0.000 0.218 360 P C 0.589 177.690 177.300 -0.333 0.000 1.149 360 P CA 1.410 64.144 63.100 -0.610 0.000 0.817 360 P CB 0.266 31.707 31.700 -0.431 0.000 0.785 361 K N -0.564 119.710 120.400 -0.211 0.000 2.283 361 K HA 0.043 4.362 4.320 -0.000 0.000 0.202 361 K C 1.887 178.528 176.600 0.069 0.000 1.048 361 K CA 1.192 57.476 56.287 -0.006 0.000 0.948 361 K CB -0.324 32.298 32.500 0.203 0.000 0.742 361 K HN 0.087 nan 8.250 nan 0.000 0.458 362 A N 1.255 124.052 122.820 -0.039 0.000 2.195 362 A HA 0.012 4.332 4.320 -0.000 0.000 0.210 362 A C 0.732 178.290 177.584 -0.043 0.000 1.165 362 A CA 0.089 52.108 52.037 -0.031 0.000 0.806 362 A CB 0.081 19.061 19.000 -0.033 0.000 0.847 362 A HN -0.008 nan 8.150 nan 0.000 0.482 363 K N 1.829 122.192 120.400 -0.063 0.000 2.383 363 K HA 0.213 4.533 4.320 -0.000 0.000 0.286 363 K C 0.320 176.900 176.600 -0.034 0.000 1.051 363 K CA 0.120 56.399 56.287 -0.013 0.000 0.974 363 K CB 0.210 32.753 32.500 0.071 0.000 0.968 363 K HN 0.568 nan 8.250 nan 0.000 0.475 364 R N 3.135 123.623 120.500 -0.019 0.000 2.728 364 R HA 0.351 4.690 4.340 -0.000 0.000 0.274 364 R C -1.771 174.508 176.300 -0.035 0.000 1.030 364 R CA -0.947 55.124 56.100 -0.049 0.000 0.876 364 R CB -0.193 30.073 30.300 -0.056 0.000 1.259 364 R HN 0.423 nan 8.270 nan 0.000 0.468 365 L N -1.498 119.676 121.223 -0.080 0.000 2.334 365 L HA 0.672 5.012 4.340 -0.000 0.000 0.275 365 L C -0.078 176.717 176.870 -0.125 0.000 1.036 365 L CA -0.460 54.344 54.840 -0.060 0.000 0.807 365 L CB 1.437 43.469 42.059 -0.045 0.000 1.231 365 L HN 0.758 nan 8.230 nan 0.000 0.438 366 E N 2.186 122.291 120.200 -0.158 0.000 2.114 366 E HA 0.251 4.601 4.350 -0.000 0.000 0.266 366 E C -1.703 174.903 176.600 0.010 0.000 0.896 366 E CA -0.758 55.462 56.400 -0.300 0.000 0.750 366 E CB 0.933 30.263 29.700 -0.617 0.000 1.121 366 E HN 0.623 nan 8.360 nan 0.000 0.413 367 F N 4.907 124.819 119.950 -0.063 0.000 2.438 367 F HA 0.262 4.789 4.527 -0.000 0.000 0.360 367 F C 0.767 176.605 175.800 0.062 0.000 1.118 367 F CA -0.528 57.498 58.000 0.044 0.000 1.164 367 F CB 0.528 39.607 39.000 0.131 0.000 1.131 367 F HN 0.569 nan 8.300 nan 0.000 0.527 368 R N 2.114 122.557 120.500 -0.095 0.000 2.290 368 R HA -0.011 4.329 4.340 -0.000 0.000 0.197 368 R C 2.281 178.500 176.300 -0.134 0.000 0.913 368 R CA 0.623 56.621 56.100 -0.171 0.000 1.040 368 R CB 0.182 30.325 30.300 -0.262 0.000 0.992 368 R HN 0.643 nan 8.270 nan 0.000 0.500 369 S N 1.296 116.724 115.700 -0.452 0.000 2.356 369 S HA -0.003 4.467 4.470 -0.000 0.000 0.223 369 S C -1.595 172.848 174.600 -0.261 0.000 1.032 369 S CA 0.610 58.577 58.200 -0.389 0.000 1.005 369 S CB -0.572 62.306 63.200 -0.537 0.000 0.867 369 S HN 0.071 nan 8.310 nan 0.000 0.449 370 P HA 0.200 nan 4.420 nan 0.000 0.268 370 P C -0.892 176.437 177.300 0.048 0.000 1.208 370 P CA 0.029 63.103 63.100 -0.044 0.000 0.777 370 P CB 0.419 32.169 31.700 0.083 0.000 0.875 371 D N -1.848 118.598 120.400 0.076 0.000 2.533 371 D HA 0.317 4.957 4.640 -0.000 0.000 0.247 371 D C -0.340 176.042 176.300 0.136 0.000 1.056 371 D CA -0.766 53.293 54.000 0.099 0.000 1.054 371 D CB 0.302 41.141 40.800 0.064 0.000 1.400 371 D HN 0.089 nan 8.370 nan 0.000 0.533 372 S N -1.110 114.689 115.700 0.166 0.000 2.622 372 S HA 0.093 4.562 4.470 -0.000 0.000 0.236 372 S C 1.069 175.747 174.600 0.129 0.000 0.956 372 S CA -0.090 58.202 58.200 0.154 0.000 0.971 372 S CB -0.700 62.625 63.200 0.209 0.000 0.782 372 S HN 0.527 nan 8.310 nan 0.000 0.468 373 S N 0.333 116.112 115.700 0.132 0.000 2.603 373 S HA 0.369 4.839 4.470 -0.000 0.000 0.220 373 S C 0.999 175.676 174.600 0.128 0.000 0.967 373 S CA 0.127 58.400 58.200 0.122 0.000 0.920 373 S CB 0.133 63.397 63.200 0.106 0.000 0.773 373 S HN 0.560 nan 8.310 nan 0.000 0.529 374 G N 1.140 110.027 108.800 0.144 0.000 3.392 374 G HA2 0.409 4.368 3.960 -0.000 0.000 0.185 374 G HA3 0.409 4.368 3.960 -0.000 0.000 0.185 374 G C -1.175 173.816 174.900 0.153 0.000 1.206 374 G CA -0.563 44.663 45.100 0.209 0.000 0.776 374 G HN 0.307 nan 8.290 nan 0.000 0.697 375 N N 1.063 119.868 118.700 0.176 0.000 2.491 375 N HA 0.359 5.099 4.740 -0.000 0.000 0.274 375 N C -1.848 173.599 175.510 -0.104 0.000 1.023 375 N CA -1.914 51.187 53.050 0.085 0.000 0.902 375 N CB 2.841 41.441 38.487 0.189 0.000 1.267 375 N HN -0.026 nan 8.380 nan 0.000 0.503 376 P HA -0.075 nan 4.420 nan 0.000 0.219 376 P C 0.828 177.564 177.300 -0.940 0.000 1.150 376 P CA 1.082 63.658 63.100 -0.874 0.000 0.814 376 P CB 0.214 31.302 31.700 -1.019 0.000 0.787 377 Y N 0.230 120.289 120.300 -0.401 0.000 2.181 377 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 377 Y C 2.693 178.439 175.900 -0.255 0.000 1.146 377 Y CA 1.037 58.970 58.100 -0.279 0.000 1.164 377 Y CB -1.508 36.842 38.460 -0.182 0.000 0.982 377 Y HN -0.186 nan 8.280 nan 0.000 0.515 378 L N -0.981 120.188 121.223 -0.090 0.000 2.095 378 L HA -0.107 4.232 4.340 -0.000 0.000 0.204 378 L C 2.714 179.553 176.870 -0.051 0.000 1.080 378 L CA 0.864 55.603 54.840 -0.167 0.000 0.759 378 L CB -0.974 40.923 42.059 -0.270 0.000 0.914 378 L HN 0.208 nan 8.230 nan 0.000 0.439 379 A N 0.610 123.423 122.820 -0.011 0.000 1.851 379 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 379 A C 2.068 179.824 177.584 0.286 0.000 1.195 379 A CA 1.651 53.781 52.037 0.156 0.000 0.622 379 A CB -0.816 18.263 19.000 0.133 0.000 0.831 379 A HN 0.279 nan 8.150 nan 0.000 0.444 380 F N 0.936 120.857 119.950 -0.049 0.000 2.134 380 F HA -0.105 4.421 4.527 -0.000 0.000 0.299 380 F C 2.858 178.593 175.800 -0.108 0.000 1.097 380 F CA 0.972 58.804 58.000 -0.280 0.000 1.264 380 F CB -1.348 37.168 39.000 -0.806 0.000 1.001 380 F HN 0.162 nan 8.300 nan 0.000 0.479 381 S N 0.134 115.918 115.700 0.140 0.000 2.368 381 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 381 S C 2.391 177.147 174.600 0.259 0.000 1.029 381 S CA 0.987 59.284 58.200 0.162 0.000 0.988 381 S CB -0.643 62.569 63.200 0.021 0.000 0.838 381 S HN 0.340 nan 8.310 nan 0.000 0.462 382 A N 1.624 124.574 122.820 0.217 0.000 1.902 382 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 382 A C 2.143 179.838 177.584 0.186 0.000 1.181 382 A CA 1.468 53.535 52.037 0.049 0.000 0.623 382 A CB -0.638 18.323 19.000 -0.065 0.000 0.818 382 A HN 0.473 nan 8.150 nan 0.000 0.443 383 M N -1.325 118.458 119.600 0.305 0.000 2.117 383 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 383 M C 2.193 178.637 176.300 0.240 0.000 1.065 383 M CA 1.493 56.987 55.300 0.322 0.000 1.114 383 M CB -0.449 32.475 32.600 0.540 0.000 1.361 383 M HN 0.448 nan 8.290 nan 0.000 0.408 384 L N 0.467 121.918 121.223 0.380 0.000 2.017 384 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 384 L C 2.328 179.302 176.870 0.173 0.000 1.073 384 L CA 1.856 56.907 54.840 0.352 0.000 0.745 384 L CB -0.476 41.849 42.059 0.444 0.000 0.894 384 L HN 0.252 nan 8.230 nan 0.000 0.432 385 M N -0.680 119.021 119.600 0.168 0.000 2.159 385 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 385 M C 2.401 178.779 176.300 0.129 0.000 1.063 385 M CA 1.735 57.109 55.300 0.125 0.000 1.110 385 M CB -1.855 30.756 32.600 0.019 0.000 1.374 385 M HN 0.433 nan 8.290 nan 0.000 0.411 386 A N 0.248 123.135 122.820 0.111 0.000 1.855 386 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 386 A C 2.474 179.969 177.584 -0.147 0.000 1.191 386 A CA 1.964 53.999 52.037 -0.004 0.000 0.613 386 A CB -1.486 17.520 19.000 0.010 0.000 0.829 386 A HN 0.487 nan 8.150 nan 0.000 0.442 387 G N -0.166 108.354 108.800 -0.467 0.000 2.440 387 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 387 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 387 G C 1.524 176.195 174.900 -0.382 0.000 1.154 387 G CA 1.086 45.578 45.100 -1.014 0.000 0.767 387 G HN 0.432 nan 8.290 nan 0.000 0.552 388 L N 0.170 121.324 121.223 -0.116 0.000 2.201 388 L HA 0.006 4.346 4.340 -0.000 0.000 0.212 388 L C 2.400 179.321 176.870 0.085 0.000 1.105 388 L CA 1.139 56.025 54.840 0.077 0.000 0.775 388 L CB -0.260 41.916 42.059 0.194 0.000 0.913 388 L HN 0.190 nan 8.230 nan 0.000 0.440 389 D N 0.129 120.576 120.400 0.079 0.000 2.183 389 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 389 D C 2.179 178.512 176.300 0.056 0.000 0.969 389 D CA 1.200 55.265 54.000 0.109 0.000 0.842 389 D CB 0.076 40.983 40.800 0.178 0.000 0.957 389 D HN 0.175 nan 8.370 nan 0.000 0.484 390 G N 0.411 109.219 108.800 0.014 0.000 2.421 390 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.216 390 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.216 390 G C 1.732 176.612 174.900 -0.033 0.000 1.171 390 G CA 0.767 45.847 45.100 -0.033 0.000 0.775 390 G HN 0.338 nan 8.290 nan 0.000 0.543 391 I N 0.342 120.928 120.570 0.026 0.000 2.163 391 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 391 I C 2.674 178.769 176.117 -0.036 0.000 1.081 391 I CA 1.520 62.850 61.300 0.049 0.000 1.353 391 I CB -0.235 37.837 38.000 0.120 0.000 1.054 391 I HN 0.126 nan 8.210 nan 0.000 0.407 392 K N 0.979 121.377 120.400 -0.004 0.000 2.044 392 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 392 K C 1.562 178.125 176.600 -0.062 0.000 1.049 392 K CA 1.849 58.130 56.287 -0.010 0.000 0.927 392 K CB -0.037 32.485 32.500 0.037 0.000 0.713 392 K HN 0.274 nan 8.250 nan 0.000 0.443 393 N N 0.873 119.523 118.700 -0.084 0.000 2.322 393 N HA -0.002 4.738 4.740 -0.000 0.000 0.194 393 N C -0.716 174.658 175.510 -0.226 0.000 1.126 393 N CA 0.330 53.306 53.050 -0.124 0.000 0.845 393 N CB 0.498 38.925 38.487 -0.101 0.000 0.976 393 N HN 0.167 nan 8.380 nan 0.000 0.475 394 K N 0.777 120.958 120.400 -0.366 0.000 3.278 394 K HA -0.169 4.151 4.320 -0.000 0.000 0.270 394 K C -0.546 175.740 176.600 -0.523 0.000 0.955 394 K CA 0.341 56.146 56.287 -0.803 0.000 0.723 394 K CB -1.565 30.573 32.500 -0.604 0.000 1.382 394 K HN 0.324 nan 8.250 nan 0.000 0.461 395 I N 2.095 122.487 120.570 -0.297 0.000 2.505 395 I HA -0.033 4.137 4.170 -0.000 0.000 0.287 395 I C 0.984 177.108 176.117 0.011 0.000 1.104 395 I CA 0.198 61.398 61.300 -0.167 0.000 1.387 395 I CB 0.354 38.219 38.000 -0.225 0.000 1.404 395 I HN 0.068 nan 8.210 nan 0.000 0.528 396 E N 8.965 129.170 120.200 0.010 0.000 2.194 396 E HA 0.275 4.625 4.350 -0.000 0.000 0.284 396 E C -2.027 174.574 176.600 0.001 0.000 1.035 396 E CA -1.664 54.773 56.400 0.061 0.000 0.836 396 E CB 0.728 30.455 29.700 0.045 0.000 1.070 396 E HN 0.362 nan 8.360 nan 0.000 0.401 397 P HA 0.016 nan 4.420 nan 0.000 0.274 397 P C -0.258 177.069 177.300 0.045 0.000 1.237 397 P CA -0.327 62.764 63.100 -0.014 0.000 0.793 397 P CB 0.673 32.300 31.700 -0.121 0.000 0.977 398 Q N 0.982 120.820 119.800 0.063 0.000 2.454 398 Q HA 0.407 4.747 4.340 -0.000 0.000 0.247 398 Q C -0.077 175.968 176.000 0.075 0.000 1.028 398 Q CA -0.822 55.012 55.803 0.052 0.000 0.910 398 Q CB 0.073 28.832 28.738 0.036 0.000 1.276 398 Q HN 0.496 nan 8.270 nan 0.000 0.489 399 A N 3.149 125.969 122.820 0.001 0.000 2.565 399 A HA 0.193 4.512 4.320 -0.000 0.000 0.237 399 A C -1.856 175.622 177.584 -0.177 0.000 1.053 399 A CA -0.940 51.048 52.037 -0.083 0.000 0.755 399 A CB -0.696 18.242 19.000 -0.103 0.000 0.980 399 A HN 0.695 nan 8.150 nan 0.000 0.506 400 P HA 0.176 nan 4.420 nan 0.000 0.266 400 P C -0.758 176.321 177.300 -0.369 0.000 1.195 400 P CA 0.088 62.789 63.100 -0.664 0.000 0.768 400 P CB 0.607 31.523 31.700 -1.307 0.000 0.838 401 V N 3.692 123.455 119.914 -0.252 0.000 2.304 401 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 401 V C -0.028 175.990 176.094 -0.126 0.000 1.018 401 V CA -0.307 61.901 62.300 -0.152 0.000 0.814 401 V CB 0.920 32.682 31.823 -0.102 0.000 1.021 401 V HN 0.401 nan 8.190 nan 0.000 0.440 402 D N 4.983 125.323 120.400 -0.101 0.000 2.631 402 D HA 0.360 5.000 4.640 -0.000 0.000 0.227 402 D C 0.111 176.373 176.300 -0.064 0.000 1.146 402 D CA 0.220 54.182 54.000 -0.063 0.000 1.009 402 D CB 0.390 41.179 40.800 -0.019 0.000 1.057 402 D HN 0.507 nan 8.370 nan 0.000 0.509 403 K N 0.078 120.429 120.400 -0.083 0.000 2.509 403 K HA 0.214 4.534 4.320 -0.000 0.000 0.266 403 K C -0.900 175.627 176.600 -0.122 0.000 0.987 403 K CA -0.986 55.250 56.287 -0.085 0.000 0.868 403 K CB 2.098 34.552 32.500 -0.077 0.000 1.421 403 K HN -0.126 nan 8.250 nan 0.000 0.444 404 D N 2.382 122.709 120.400 -0.120 0.000 2.342 404 D HA 0.041 4.681 4.640 -0.000 0.000 0.260 404 D C 0.592 176.765 176.300 -0.213 0.000 1.278 404 D CA 0.158 54.052 54.000 -0.178 0.000 0.910 404 D CB 0.526 41.261 40.800 -0.107 0.000 1.079 404 D HN 0.447 nan 8.370 nan 0.000 0.496 405 L N 3.671 124.678 121.223 -0.360 0.000 2.465 405 L HA -0.130 4.210 4.340 -0.000 0.000 0.224 405 L C 1.092 177.857 176.870 -0.175 0.000 1.145 405 L CA 0.406 55.082 54.840 -0.274 0.000 0.834 405 L CB -0.291 41.607 42.059 -0.269 0.000 0.944 405 L HN 0.473 nan 8.230 nan 0.000 0.451 406 Y N -1.030 119.257 120.300 -0.022 0.000 2.517 406 Y HA 0.024 4.574 4.550 -0.000 0.000 0.281 406 Y C 2.062 177.945 175.900 -0.029 0.000 1.125 406 Y CA -0.092 57.991 58.100 -0.028 0.000 1.283 406 Y CB -0.137 38.291 38.460 -0.053 0.000 1.042 406 Y HN 0.080 nan 8.280 nan 0.000 0.547 407 E N 0.431 120.674 120.200 0.073 0.000 2.465 407 E HA 0.180 4.530 4.350 -0.000 0.000 0.195 407 E C -0.114 176.495 176.600 0.015 0.000 1.028 407 E CA 0.007 56.429 56.400 0.037 0.000 0.899 407 E CB 0.045 29.754 29.700 0.014 0.000 1.032 407 E HN 0.380 nan 8.360 nan 0.000 0.468 408 L N 3.662 124.893 121.223 0.013 0.000 2.410 408 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 408 L C -1.788 175.091 176.870 0.016 0.000 1.152 408 L CA -1.500 53.343 54.840 0.006 0.000 0.855 408 L CB 0.008 42.067 42.059 0.001 0.000 1.129 408 L HN -0.160 nan 8.230 nan 0.000 0.463 409 P HA 0.089 nan 4.420 nan 0.000 0.269 409 P C -2.167 175.142 177.300 0.016 0.000 1.209 409 P CA -1.409 61.698 63.100 0.012 0.000 0.776 409 P CB 0.194 31.898 31.700 0.007 0.000 0.876 410 P HA -0.204 nan 4.420 nan 0.000 0.216 410 P C 0.946 178.257 177.300 0.019 0.000 1.150 410 P CA 1.701 64.815 63.100 0.022 0.000 0.843 410 P CB 0.054 31.768 31.700 0.022 0.000 0.787 411 E N 0.380 120.589 120.200 0.014 0.000 2.150 411 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 411 E C 1.952 178.557 176.600 0.009 0.000 0.985 411 E CA 1.124 57.531 56.400 0.011 0.000 0.814 411 E CB -0.789 28.916 29.700 0.008 0.000 0.752 411 E HN 0.455 nan 8.360 nan 0.000 0.466 412 E N 0.303 120.508 120.200 0.008 0.000 2.190 412 E HA 0.123 4.473 4.350 -0.000 0.000 0.191 412 E C 2.024 178.628 176.600 0.007 0.000 0.978 412 E CA 0.546 56.948 56.400 0.004 0.000 0.839 412 E CB -0.023 29.676 29.700 -0.002 0.000 0.787 412 E HN 0.281 nan 8.360 nan 0.000 0.473 413 A N 1.492 124.320 122.820 0.013 0.000 1.972 413 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 413 A C 2.339 179.938 177.584 0.025 0.000 1.169 413 A CA 1.572 53.622 52.037 0.022 0.000 0.635 413 A CB -0.519 18.502 19.000 0.034 0.000 0.810 413 A HN 0.273 nan 8.150 nan 0.000 0.446 414 A N 0.230 123.064 122.820 0.022 0.000 2.067 414 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 414 A C 2.248 179.843 177.584 0.019 0.000 1.158 414 A CA 1.763 53.814 52.037 0.023 0.000 0.661 414 A CB -0.714 18.298 19.000 0.020 0.000 0.801 414 A HN 0.965 nan 8.150 nan 0.000 0.452 415 S N -0.665 115.043 115.700 0.013 0.000 2.603 415 S HA 0.249 4.719 4.470 -0.000 0.000 0.220 415 S C 0.492 175.098 174.600 0.011 0.000 0.967 415 S CA -0.166 58.040 58.200 0.009 0.000 0.920 415 S CB -0.319 62.883 63.200 0.003 0.000 0.773 415 S HN 0.321 nan 8.310 nan 0.000 0.529 416 I N 2.092 122.672 120.570 0.016 0.000 2.441 416 I HA 0.450 4.619 4.170 -0.000 0.000 0.295 416 I C -2.877 173.259 176.117 0.031 0.000 0.994 416 I CA -2.785 58.527 61.300 0.020 0.000 1.144 416 I CB 0.901 38.912 38.000 0.018 0.000 1.314 416 I HN -0.138 nan 8.210 nan 0.000 0.445 417 P HA 0.039 nan 4.420 nan 0.000 0.262 417 P C -0.512 176.822 177.300 0.058 0.000 1.199 417 P CA 0.073 63.199 63.100 0.042 0.000 0.763 417 P CB 0.372 32.097 31.700 0.042 0.000 0.790 418 Q N 1.414 121.250 119.800 0.061 0.000 2.260 418 Q HA 0.235 4.575 4.340 -0.000 0.000 0.242 418 Q C 0.505 176.563 176.000 0.096 0.000 0.932 418 Q CA -0.244 55.606 55.803 0.079 0.000 0.891 418 Q CB 0.450 29.232 28.738 0.074 0.000 1.222 418 Q HN 0.463 nan 8.270 nan 0.000 0.453 419 T N -0.881 113.745 114.554 0.120 0.000 2.903 419 T HA 0.256 4.606 4.350 -0.000 0.000 0.314 419 T C -2.204 172.590 174.700 0.156 0.000 1.078 419 T CA -1.277 60.913 62.100 0.151 0.000 1.114 419 T CB -0.228 68.741 68.868 0.168 0.000 0.987 419 T HN 0.247 nan 8.240 nan 0.000 0.548 420 P HA 0.156 nan 4.420 nan 0.000 0.267 420 P C 0.870 178.267 177.300 0.161 0.000 1.200 420 P CA -0.231 62.953 63.100 0.140 0.000 0.772 420 P CB 0.276 32.063 31.700 0.144 0.000 0.855 421 T N 0.209 114.791 114.554 0.047 0.000 2.896 421 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 421 T C 0.643 175.321 174.700 -0.037 0.000 1.050 421 T CA 1.032 63.161 62.100 0.049 0.000 1.140 421 T CB -0.079 68.800 68.868 0.017 0.000 0.877 421 T HN 0.632 nan 8.240 nan 0.000 0.457 422 Q N -0.892 118.718 119.800 -0.316 0.000 2.534 422 Q HA 0.468 4.808 4.340 -0.000 0.000 0.290 422 Q C 0.274 175.746 176.000 -0.880 0.000 0.991 422 Q CA -0.785 54.706 55.803 -0.521 0.000 0.783 422 Q CB 1.065 29.682 28.738 -0.202 0.000 1.470 422 Q HN 0.008 nan 8.270 nan 0.000 0.406 423 L N 1.786 122.559 121.223 -0.749 0.000 2.083 423 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 423 L C 2.283 179.008 176.870 -0.241 0.000 1.083 423 L CA 2.944 57.502 54.840 -0.470 0.000 0.752 423 L CB -0.480 41.513 42.059 -0.109 0.000 0.899 423 L HN 0.904 nan 8.230 nan 0.000 0.433 424 S N -1.599 113.990 115.700 -0.184 0.000 2.399 424 S HA -0.193 4.276 4.470 -0.000 0.000 0.231 424 S C 1.705 176.249 174.600 -0.093 0.000 1.022 424 S CA 1.186 59.320 58.200 -0.109 0.000 0.983 424 S CB -0.744 62.407 63.200 -0.082 0.000 0.803 424 S HN 0.507 nan 8.310 nan 0.000 0.480 425 D N 1.904 122.229 120.400 -0.125 0.000 2.097 425 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 425 D C 2.375 178.646 176.300 -0.049 0.000 0.989 425 D CA 1.728 55.680 54.000 -0.081 0.000 0.827 425 D CB -0.731 40.016 40.800 -0.088 0.000 0.966 425 D HN 0.538 nan 8.370 nan 0.000 0.456 426 V N -0.586 119.286 119.914 -0.070 0.000 2.515 426 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 426 V C 2.263 178.375 176.094 0.030 0.000 1.058 426 V CA 0.909 63.218 62.300 0.015 0.000 1.064 426 V CB -0.540 31.331 31.823 0.080 0.000 0.675 426 V HN 0.029 nan 8.190 nan 0.000 0.461 427 I N 1.222 121.791 120.570 -0.002 0.000 2.252 427 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 427 I C 2.425 178.559 176.117 0.028 0.000 1.102 427 I CA 1.889 63.194 61.300 0.009 0.000 1.385 427 I CB -1.352 36.634 38.000 -0.025 0.000 1.064 427 I HN 0.336 nan 8.210 nan 0.000 0.414 428 D N 0.470 120.879 120.400 0.014 0.000 2.123 428 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 428 D C 2.288 178.619 176.300 0.051 0.000 0.992 428 D CA 1.158 55.174 54.000 0.026 0.000 0.833 428 D CB -0.184 40.621 40.800 0.008 0.000 0.954 428 D HN 0.121 nan 8.370 nan 0.000 0.455 429 R N 0.496 121.026 120.500 0.051 0.000 2.090 429 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 429 R C 2.101 178.471 176.300 0.117 0.000 1.110 429 R CA 0.583 56.725 56.100 0.070 0.000 0.973 429 R CB -0.860 29.476 30.300 0.060 0.000 0.869 429 R HN 0.165 nan 8.270 nan 0.000 0.440 430 L N 1.041 122.340 121.223 0.125 0.000 2.042 430 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 430 L C 2.119 179.147 176.870 0.264 0.000 1.076 430 L CA 2.177 57.119 54.840 0.171 0.000 0.749 430 L CB -0.657 41.454 42.059 0.087 0.000 0.893 430 L HN 0.410 nan 8.230 nan 0.000 0.432 431 E N -0.735 119.578 120.200 0.188 0.000 2.077 431 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 431 E C 2.059 178.801 176.600 0.236 0.000 0.989 431 E CA 1.211 57.740 56.400 0.215 0.000 0.800 431 E CB -0.182 29.589 29.700 0.119 0.000 0.746 431 E HN 0.639 nan 8.360 nan 0.000 0.452 432 A N 0.275 123.178 122.820 0.138 0.000 1.968 432 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 432 A C 0.677 178.265 177.584 0.008 0.000 1.169 432 A CA 1.351 53.428 52.037 0.067 0.000 0.638 432 A CB 0.126 19.156 19.000 0.050 0.000 0.812 432 A HN 0.329 nan 8.150 nan 0.000 0.446 433 D N -1.624 118.803 120.400 0.045 0.000 2.478 433 D HA 0.282 4.922 4.640 -0.000 0.000 0.240 433 D C -0.291 176.075 176.300 0.110 0.000 1.364 433 D CA -0.480 53.518 54.000 -0.002 0.000 0.987 433 D CB 0.423 41.265 40.800 0.070 0.000 1.328 433 D HN 0.410 nan 8.370 nan 0.000 0.584 434 H N 2.124 121.251 119.070 0.095 0.000 3.124 434 H HA 0.261 4.817 4.556 -0.000 0.000 0.250 434 H C 0.134 175.378 175.328 -0.139 0.000 1.184 434 H CA -0.365 55.659 56.048 -0.040 0.000 1.013 434 H CB 0.332 30.043 29.762 -0.086 0.000 1.891 434 H HN 0.225 nan 8.280 nan 0.000 0.687 435 E N 1.711 121.886 120.200 -0.043 0.000 2.110 435 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 435 E C 1.751 178.345 176.600 -0.011 0.000 0.988 435 E CA 1.428 57.819 56.400 -0.016 0.000 0.804 435 E CB -0.438 29.266 29.700 0.006 0.000 0.745 435 E HN 0.787 nan 8.360 nan 0.000 0.458 436 Y N -0.067 120.179 120.300 -0.091 0.000 2.315 436 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 436 Y C 2.077 177.863 175.900 -0.190 0.000 1.154 436 Y CA 0.862 58.860 58.100 -0.170 0.000 1.229 436 Y CB -0.742 37.472 38.460 -0.409 0.000 0.980 436 Y HN -0.087 nan 8.280 nan 0.000 0.540 437 L N 0.650 121.362 121.223 -0.851 0.000 2.179 437 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 437 L C 2.373 179.083 176.870 -0.267 0.000 1.096 437 L CA 1.485 55.892 54.840 -0.721 0.000 0.779 437 L CB -0.626 40.790 42.059 -1.072 0.000 0.922 437 L HN 0.460 nan 8.230 nan 0.000 0.443 438 T N -3.974 110.479 114.554 -0.170 0.000 3.129 438 T HA 0.065 4.415 4.350 -0.000 0.000 0.251 438 T C 0.687 175.319 174.700 -0.113 0.000 1.117 438 T CA -0.309 61.750 62.100 -0.067 0.000 1.034 438 T CB -0.225 68.652 68.868 0.016 0.000 0.968 438 T HN 0.055 nan 8.240 nan 0.000 0.526 439 E N 1.685 121.781 120.200 -0.174 0.000 2.529 439 E HA 0.245 4.595 4.350 -0.000 0.000 0.259 439 E C 1.480 177.815 176.600 -0.443 0.000 0.966 439 E CA 1.022 57.283 56.400 -0.233 0.000 0.937 439 E CB 0.224 29.786 29.700 -0.230 0.000 0.923 439 E HN 0.568 nan 8.360 nan 0.000 0.468 440 G N 2.938 111.597 108.800 -0.235 0.000 2.196 440 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.268 440 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.268 440 G C 0.952 175.786 174.900 -0.111 0.000 0.975 440 G CA 0.647 45.667 45.100 -0.133 0.000 0.648 440 G HN 1.262 nan 8.290 nan 0.000 0.538 441 G N -2.246 106.477 108.800 -0.129 0.000 2.143 441 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.248 441 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.248 441 G C 1.339 176.161 174.900 -0.129 0.000 0.991 441 G CA 1.194 46.237 45.100 -0.095 0.000 0.689 441 G HN 1.463 nan 8.290 nan 0.000 0.522 442 V N -0.797 119.012 119.914 -0.176 0.000 2.233 442 V HA 0.062 4.182 4.120 -0.000 0.000 0.247 442 V C 1.585 177.508 176.094 -0.285 0.000 1.050 442 V CA 2.000 64.183 62.300 -0.197 0.000 1.010 442 V CB -0.436 31.283 31.823 -0.173 0.000 0.637 442 V HN 0.361 nan 8.190 nan 0.000 0.444 443 F N -0.020 119.774 119.950 -0.260 0.000 2.425 443 F HA 0.503 5.030 4.527 -0.000 0.000 0.331 443 F C 0.618 176.306 175.800 -0.188 0.000 1.085 443 F CA -0.540 57.307 58.000 -0.256 0.000 1.028 443 F CB 1.484 40.293 39.000 -0.318 0.000 1.177 443 F HN 0.019 nan 8.300 nan 0.000 0.487 444 T N -1.642 112.912 114.554 -0.001 0.000 2.932 444 T HA 0.294 4.644 4.350 -0.000 0.000 0.289 444 T C 0.656 175.357 174.700 0.002 0.000 1.039 444 T CA -0.955 61.135 62.100 -0.017 0.000 1.024 444 T CB 1.407 70.237 68.868 -0.063 0.000 1.090 444 T HN 0.391 nan 8.240 nan 0.000 0.496 445 N N 1.694 120.399 118.700 0.009 0.000 2.149 445 N HA -0.158 4.581 4.740 -0.000 0.000 0.188 445 N C 1.684 177.196 175.510 0.004 0.000 1.019 445 N CA 1.756 54.811 53.050 0.008 0.000 0.857 445 N CB -0.427 38.090 38.487 0.051 0.000 0.997 445 N HN 0.879 nan 8.380 nan 0.000 0.426 446 D N 0.744 121.145 120.400 0.001 0.000 2.144 446 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 446 D C 2.110 178.421 176.300 0.018 0.000 0.984 446 D CA 0.543 54.547 54.000 0.006 0.000 0.834 446 D CB -0.617 40.173 40.800 -0.018 0.000 0.955 446 D HN 0.283 nan 8.370 nan 0.000 0.465 447 L N 0.316 121.538 121.223 -0.003 0.000 1.994 447 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 447 L C 2.769 179.739 176.870 0.167 0.000 1.071 447 L CA 1.019 55.886 54.840 0.044 0.000 0.745 447 L CB -0.221 41.826 42.059 -0.021 0.000 0.892 447 L HN -0.076 nan 8.230 nan 0.000 0.431 448 I N -0.158 120.487 120.570 0.124 0.000 2.208 448 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 448 I C 2.400 178.588 176.117 0.119 0.000 1.097 448 I CA 1.591 62.960 61.300 0.115 0.000 1.363 448 I CB -0.324 37.568 38.000 -0.180 0.000 1.051 448 I HN 0.349 nan 8.210 nan 0.000 0.413 449 E N 0.103 120.343 120.200 0.067 0.000 2.110 449 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 449 E C 2.130 178.813 176.600 0.139 0.000 0.988 449 E CA 1.757 58.208 56.400 0.085 0.000 0.804 449 E CB -0.086 29.652 29.700 0.064 0.000 0.745 449 E HN 0.454 nan 8.360 nan 0.000 0.458 450 T N 0.616 115.272 114.554 0.170 0.000 2.746 450 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 450 T C 1.236 176.111 174.700 0.292 0.000 1.039 450 T CA 0.845 63.071 62.100 0.210 0.000 1.142 450 T CB -0.303 68.683 68.868 0.196 0.000 0.866 450 T HN 0.407 nan 8.240 nan 0.000 0.444 451 W N 1.612 122.983 121.300 0.119 0.000 2.354 451 W HA -0.124 4.536 4.660 -0.000 0.000 0.315 451 W C 1.906 178.485 176.519 0.101 0.000 1.206 451 W CA 0.994 58.412 57.345 0.122 0.000 1.290 451 W CB -0.491 29.041 29.460 0.119 0.000 1.152 451 W HN 0.228 nan 8.180 nan 0.000 0.489 452 I N 0.367 121.061 120.570 0.206 0.000 2.163 452 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 452 I C 2.822 178.957 176.117 0.031 0.000 1.085 452 I CA 1.873 63.216 61.300 0.072 0.000 1.347 452 I CB -0.897 37.153 38.000 0.083 0.000 1.044 452 I HN -0.098 nan 8.210 nan 0.000 0.408 453 S N 0.241 115.989 115.700 0.079 0.000 2.368 453 S HA -0.206 4.263 4.470 -0.000 0.000 0.224 453 S C 2.034 176.663 174.600 0.048 0.000 1.029 453 S CA 1.230 59.468 58.200 0.063 0.000 0.988 453 S CB -0.409 62.847 63.200 0.093 0.000 0.838 453 S HN 0.434 nan 8.310 nan 0.000 0.462 454 F N 2.307 122.222 119.950 -0.059 0.000 2.102 454 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 454 F C 2.202 177.896 175.800 -0.177 0.000 1.105 454 F CA 1.506 59.444 58.000 -0.103 0.000 1.239 454 F CB -0.190 38.745 39.000 -0.108 0.000 0.991 454 F HN 0.067 nan 8.300 nan 0.000 0.474 455 K N 0.535 120.872 120.400 -0.105 0.000 2.057 455 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 455 K C 2.188 178.666 176.600 -0.202 0.000 1.049 455 K CA 1.384 57.543 56.287 -0.214 0.000 0.931 455 K CB -0.509 31.826 32.500 -0.276 0.000 0.714 455 K HN 0.355 nan 8.250 nan 0.000 0.440 456 R N 0.940 121.352 120.500 -0.146 0.000 2.062 456 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 456 R C 2.277 178.493 176.300 -0.141 0.000 1.136 456 R CA 1.507 57.538 56.100 -0.115 0.000 0.948 456 R CB -0.133 30.127 30.300 -0.067 0.000 0.845 456 R HN 0.331 nan 8.270 nan 0.000 0.430 457 E N -0.217 119.881 120.200 -0.169 0.000 2.216 457 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 457 E C 1.092 177.543 176.600 -0.248 0.000 0.988 457 E CA 0.951 57.248 56.400 -0.171 0.000 0.834 457 E CB 0.086 29.706 29.700 -0.134 0.000 0.772 457 E HN 0.391 nan 8.360 nan 0.000 0.479 458 N N -0.565 117.884 118.700 -0.419 0.000 2.250 458 N HA 0.048 4.788 4.740 -0.000 0.000 0.190 458 N C 0.983 176.277 175.510 -0.361 0.000 1.116 458 N CA 0.253 53.001 53.050 -0.503 0.000 0.881 458 N CB 0.692 38.553 38.487 -1.042 0.000 1.006 458 N HN 0.043 nan 8.380 nan 0.000 0.491 459 E N -0.170 119.856 120.200 -0.291 0.000 2.905 459 E HA 0.235 4.585 4.350 -0.000 0.000 0.197 459 E C 1.252 177.779 176.600 -0.121 0.000 1.016 459 E CA -0.077 56.215 56.400 -0.180 0.000 1.307 459 E CB 0.392 30.001 29.700 -0.152 0.000 1.255 459 E HN 0.045 nan 8.360 nan 0.000 0.527 460 I N 2.053 122.552 120.570 -0.118 0.000 2.113 460 I HA -0.252 3.918 4.170 -0.000 0.000 0.238 460 I C 2.670 178.745 176.117 -0.069 0.000 1.070 460 I CA 1.480 62.731 61.300 -0.083 0.000 1.332 460 I CB -0.116 37.834 38.000 -0.083 0.000 1.044 460 I HN 0.155 nan 8.210 nan 0.000 0.402 461 E N 0.884 121.038 120.200 -0.078 0.000 2.051 461 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 461 E C -0.569 176.000 176.600 -0.052 0.000 0.991 461 E CA 1.300 57.664 56.400 -0.059 0.000 0.799 461 E CB -0.651 29.012 29.700 -0.061 0.000 0.748 461 E HN 0.295 nan 8.360 nan 0.000 0.449 462 P HA -0.152 nan 4.420 nan 0.000 0.216 462 P C 1.366 178.644 177.300 -0.037 0.000 1.150 462 P CA 0.992 64.059 63.100 -0.055 0.000 0.837 462 P CB 0.093 31.746 31.700 -0.078 0.000 0.786 463 V N -0.217 119.673 119.914 -0.039 0.000 2.346 463 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 463 V C 2.110 178.208 176.094 0.007 0.000 1.037 463 V CA 1.802 64.090 62.300 -0.019 0.000 1.029 463 V CB -1.246 30.564 31.823 -0.021 0.000 0.663 463 V HN 0.066 nan 8.190 nan 0.000 0.454 464 N N 0.882 119.581 118.700 -0.002 0.000 2.137 464 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 464 N C 1.671 177.191 175.510 0.017 0.000 1.017 464 N CA 2.102 55.156 53.050 0.007 0.000 0.859 464 N CB -0.458 38.023 38.487 -0.010 0.000 1.002 464 N HN 0.737 nan 8.380 nan 0.000 0.428 465 I N -2.574 118.002 120.570 0.010 0.000 3.428 465 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 465 I C -0.002 176.137 176.117 0.036 0.000 1.287 465 I CA 0.231 61.541 61.300 0.016 0.000 1.396 465 I CB 0.072 38.075 38.000 0.005 0.000 1.062 465 I HN -0.171 nan 8.210 nan 0.000 0.471 466 R N 2.531 123.058 120.500 0.046 0.000 2.255 466 R HA 0.463 4.803 4.340 -0.000 0.000 0.326 466 R C -2.356 174.013 176.300 0.115 0.000 0.986 466 R CA -1.816 54.326 56.100 0.069 0.000 0.847 466 R CB 0.675 31.002 30.300 0.046 0.000 1.111 466 R HN 0.029 nan 8.270 nan 0.000 0.452 467 P HA -0.102 nan 4.420 nan 0.000 0.264 467 P C -0.790 176.695 177.300 0.307 0.000 1.193 467 P CA 0.291 63.544 63.100 0.256 0.000 0.763 467 P CB 0.412 32.338 31.700 0.378 0.000 0.810 468 H N 5.161 124.366 119.070 0.225 0.000 2.548 468 H HA 0.132 4.688 4.556 -0.000 0.000 0.331 468 H C -1.575 173.950 175.328 0.329 0.000 1.093 468 H CA -1.942 54.234 56.048 0.215 0.000 1.367 468 H CB 1.095 30.953 29.762 0.160 0.000 1.455 468 H HN 0.239 nan 8.280 nan 0.000 0.519 469 P HA -0.185 nan 4.420 nan 0.000 0.217 469 P C 1.019 178.609 177.300 0.484 0.000 1.148 469 P CA 1.161 64.465 63.100 0.339 0.000 0.828 469 P CB -0.102 31.671 31.700 0.121 0.000 0.783 470 Y N 0.694 121.283 120.300 0.481 0.000 2.439 470 Y HA -0.095 4.455 4.550 -0.000 0.000 0.292 470 Y C 1.960 177.888 175.900 0.046 0.000 1.130 470 Y CA 1.122 59.327 58.100 0.175 0.000 1.254 470 Y CB -0.475 37.978 38.460 -0.011 0.000 1.000 470 Y HN 0.041 nan 8.280 nan 0.000 0.554 471 E N -1.078 119.213 120.200 0.152 0.000 2.204 471 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 471 E C 1.588 178.092 176.600 -0.161 0.000 0.990 471 E CA 1.189 57.579 56.400 -0.017 0.000 0.821 471 E CB -0.277 29.497 29.700 0.124 0.000 0.750 471 E HN 0.480 nan 8.360 nan 0.000 0.477 472 F N 0.440 120.401 119.950 0.018 0.000 2.293 472 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 472 F C 2.383 178.136 175.800 -0.079 0.000 1.089 472 F CA 0.653 58.677 58.000 0.040 0.000 1.377 472 F CB -0.205 38.828 39.000 0.055 0.000 1.051 472 F HN 0.001 nan 8.300 nan 0.000 0.511 473 A N 0.253 123.025 122.820 -0.081 0.000 1.902 473 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 473 A C 2.155 179.482 177.584 -0.428 0.000 1.181 473 A CA 1.445 53.304 52.037 -0.296 0.000 0.623 473 A CB -0.939 17.732 19.000 -0.549 0.000 0.818 473 A HN 0.396 nan 8.150 nan 0.000 0.443 474 L N -2.848 117.975 121.223 -0.668 0.000 2.162 474 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 474 L C 1.548 178.064 176.870 -0.590 0.000 1.086 474 L CA 0.952 55.292 54.840 -0.832 0.000 0.778 474 L CB -0.121 41.060 42.059 -1.462 0.000 0.928 474 L HN 0.523 nan 8.230 nan 0.000 0.446 475 Y N -3.999 116.233 120.300 -0.112 0.000 2.563 475 Y HA 0.091 4.640 4.550 -0.000 0.000 0.250 475 Y C 1.618 177.472 175.900 -0.077 0.000 1.126 475 Y CA -1.293 56.743 58.100 -0.107 0.000 1.231 475 Y CB -0.645 37.720 38.460 -0.160 0.000 1.288 475 Y HN -0.023 nan 8.280 nan 0.000 0.537 476 Y N 2.611 122.909 120.300 -0.003 0.000 2.224 476 Y HA -0.212 4.338 4.550 -0.000 0.000 0.289 476 Y C 1.629 177.546 175.900 0.028 0.000 1.146 476 Y CA 2.116 60.231 58.100 0.025 0.000 1.182 476 Y CB 0.120 38.635 38.460 0.091 0.000 0.983 476 Y HN 0.232 nan 8.280 nan 0.000 0.524 477 D N 0.102 120.558 120.400 0.093 0.000 2.358 477 D HA 0.034 4.674 4.640 -0.000 0.000 0.224 477 D C 0.632 176.928 176.300 -0.007 0.000 1.123 477 D CA 0.448 54.469 54.000 0.036 0.000 0.833 477 D CB -1.330 39.532 40.800 0.102 0.000 0.946 477 D HN 0.218 nan 8.370 nan 0.000 0.505 478 V N 0.000 119.904 119.914 -0.017 0.000 2.409 478 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 478 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 478 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556