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_C 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 0.000 176.592 176.600 -0.013 0.000 0.988 4 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 4 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 5 T N 0.346 114.875 114.554 -0.042 0.000 2.932 5 T HA 0.418 4.776 4.350 0.013 0.000 0.289 5 T C -1.917 172.679 174.700 -0.174 0.000 1.039 5 T CA -2.697 59.356 62.100 -0.078 0.000 1.024 5 T CB 0.988 69.814 68.868 -0.070 0.000 1.090 5 T HN 0.233 nan 8.240 nan 0.000 0.496 6 P HA -0.144 nan 4.420 nan 0.000 0.217 6 P C 0.780 177.709 177.300 -0.619 0.000 1.158 6 P CA 1.423 64.022 63.100 -0.836 0.000 0.887 6 P CB 0.151 31.190 31.700 -1.101 0.000 0.792 7 D N -0.943 119.321 120.400 -0.227 0.000 2.178 7 D HA -0.127 4.521 4.640 0.013 0.000 0.201 7 D C 1.691 177.992 176.300 0.001 0.000 0.980 7 D CA 0.876 54.887 54.000 0.018 0.000 0.842 7 D CB -0.672 40.140 40.800 0.020 0.000 0.948 7 D HN 0.148 nan 8.370 nan 0.000 0.472 8 D N -0.383 119.982 120.400 -0.059 0.000 2.144 8 D HA -0.098 4.550 4.640 0.013 0.000 0.199 8 D C 2.181 178.471 176.300 -0.017 0.000 0.984 8 D CA 0.554 54.538 54.000 -0.027 0.000 0.834 8 D CB 0.097 40.877 40.800 -0.033 0.000 0.955 8 D HN 0.120 nan 8.370 nan 0.000 0.465 9 V N 0.843 120.707 119.914 -0.084 0.000 2.358 9 V HA -0.207 3.921 4.120 0.013 0.000 0.246 9 V C 2.206 178.342 176.094 0.070 0.000 1.047 9 V CA 1.127 63.411 62.300 -0.027 0.000 1.035 9 V CB -0.661 31.156 31.823 -0.010 0.000 0.658 9 V HN 0.018 nan 8.190 nan 0.000 0.452 10 F N 0.891 120.905 119.950 0.107 0.000 2.126 10 F HA -0.147 4.389 4.527 0.014 0.000 0.299 10 F C 2.418 178.259 175.800 0.069 0.000 1.096 10 F CA 1.807 59.852 58.000 0.074 0.000 1.255 10 F CB -0.689 38.269 39.000 -0.070 0.000 0.997 10 F HN 0.081 nan 8.300 nan 0.000 0.479 11 K N 0.356 120.881 120.400 0.209 0.000 2.097 11 K HA -0.183 4.145 4.320 0.013 0.000 0.205 11 K C 2.163 178.823 176.600 0.100 0.000 1.050 11 K CA 1.066 57.426 56.287 0.121 0.000 0.938 11 K CB -0.427 32.117 32.500 0.074 0.000 0.718 11 K HN 0.225 nan 8.250 nan 0.000 0.442 12 L N 1.113 122.392 121.223 0.094 0.000 2.017 12 L HA -0.101 4.246 4.340 0.013 0.000 0.208 12 L C 2.229 179.152 176.870 0.089 0.000 1.073 12 L CA 2.092 56.974 54.840 0.070 0.000 0.745 12 L CB -0.684 41.405 42.059 0.049 0.000 0.894 12 L HN 0.213 nan 8.230 nan 0.000 0.432 13 A N -0.774 122.136 122.820 0.151 0.000 1.902 13 A HA -0.243 4.085 4.320 0.013 0.000 0.217 13 A C 2.472 180.134 177.584 0.130 0.000 1.181 13 A CA 1.965 54.102 52.037 0.166 0.000 0.623 13 A CB -0.614 18.580 19.000 0.323 0.000 0.818 13 A HN 0.472 nan 8.150 nan 0.000 0.443 14 K N -0.641 119.842 120.400 0.137 0.000 2.025 14 K HA -0.176 4.152 4.320 0.013 0.000 0.207 14 K C 1.333 177.967 176.600 0.057 0.000 1.049 14 K CA 1.701 58.042 56.287 0.090 0.000 0.933 14 K CB -0.227 32.323 32.500 0.083 0.000 0.714 14 K HN 0.383 nan 8.250 nan 0.000 0.438 15 D N 0.659 121.091 120.400 0.054 0.000 2.178 15 D HA -0.108 4.540 4.640 0.013 0.000 0.202 15 D C 1.565 177.881 176.300 0.027 0.000 0.974 15 D CA 0.888 54.909 54.000 0.035 0.000 0.841 15 D CB 0.059 40.877 40.800 0.031 0.000 0.953 15 D HN 0.194 nan 8.370 nan 0.000 0.478 16 E N 0.476 120.695 120.200 0.031 0.000 2.481 16 E HA -0.001 4.357 4.350 0.013 0.000 0.195 16 E C 0.055 176.666 176.600 0.018 0.000 1.047 16 E CA 0.084 56.496 56.400 0.021 0.000 0.867 16 E CB 0.174 29.885 29.700 0.018 0.000 0.858 16 E HN 0.319 nan 8.360 nan 0.000 0.513 17 K N 0.142 120.556 120.400 0.023 0.000 3.239 17 K HA -0.133 4.195 4.320 0.013 0.000 0.270 17 K C -0.435 176.167 176.600 0.004 0.000 1.049 17 K CA 0.044 56.340 56.287 0.014 0.000 0.769 17 K CB -1.948 30.557 32.500 0.008 0.000 1.305 17 K HN -0.073 nan 8.250 nan 0.000 0.469 18 V N 1.496 121.418 119.914 0.013 0.000 2.585 18 V HA -0.066 4.061 4.120 0.013 0.000 0.296 18 V C 1.656 177.718 176.094 -0.054 0.000 1.035 18 V CA 0.593 62.892 62.300 -0.002 0.000 1.084 18 V CB 1.203 33.037 31.823 0.019 0.000 0.953 18 V HN 0.379 nan 8.190 nan 0.000 0.483 19 E N 2.984 123.114 120.200 -0.116 0.000 2.166 19 E HA 0.111 4.469 4.350 0.013 0.000 0.192 19 E C -0.831 175.401 176.600 -0.613 0.000 0.967 19 E CA 0.672 56.852 56.400 -0.367 0.000 0.840 19 E CB 0.415 29.868 29.700 -0.412 0.000 0.795 19 E HN 0.698 nan 8.360 nan 0.000 0.470 20 Y N -0.512 119.798 120.300 0.016 0.000 2.524 20 Y HA 0.402 4.960 4.550 0.012 0.000 0.347 20 Y C -0.567 175.298 175.900 -0.058 0.000 1.005 20 Y CA -1.176 56.923 58.100 -0.001 0.000 1.025 20 Y CB 1.746 40.210 38.460 0.008 0.000 1.275 20 Y HN -0.328 nan 8.280 nan 0.000 0.460 21 V N 2.031 121.986 119.914 0.068 0.000 2.384 21 V HA 0.263 4.391 4.120 0.013 0.000 0.287 21 V C -0.937 175.084 176.094 -0.120 0.000 1.020 21 V CA -0.800 61.421 62.300 -0.132 0.000 0.850 21 V CB 1.567 33.145 31.823 -0.409 0.000 0.987 21 V HN 0.697 nan 8.190 nan 0.000 0.436 22 D N 3.562 123.879 120.400 -0.139 0.000 2.313 22 D HA 0.399 5.047 4.640 0.013 0.000 0.239 22 D C -0.462 175.665 176.300 -0.289 0.000 1.142 22 D CA -0.040 53.857 54.000 -0.171 0.000 0.847 22 D CB 1.559 42.305 40.800 -0.090 0.000 1.082 22 D HN 0.295 nan 8.370 nan 0.000 0.480 23 V N 5.701 125.283 119.914 -0.553 0.000 2.385 23 V HA 0.391 4.519 4.120 0.013 0.000 0.269 23 V C 0.455 176.169 176.094 -0.633 0.000 1.043 23 V CA -0.327 61.463 62.300 -0.850 0.000 0.906 23 V CB 0.667 31.507 31.823 -1.637 0.000 0.995 23 V HN 0.459 nan 8.190 nan 0.000 0.467 24 R N 5.014 125.321 120.500 -0.322 0.000 2.670 24 R HA 0.808 5.156 4.340 0.013 0.000 0.289 24 R C -1.028 175.257 176.300 -0.026 0.000 0.965 24 R CA -0.494 55.477 56.100 -0.214 0.000 0.899 24 R CB 2.399 32.574 30.300 -0.209 0.000 1.173 24 R HN 0.700 nan 8.270 nan 0.000 0.456 25 F N -1.603 118.218 119.950 -0.216 0.000 2.685 25 F HA 0.628 5.162 4.527 0.012 0.000 0.315 25 F C -1.175 174.542 175.800 -0.138 0.000 1.126 25 F CA -1.385 56.512 58.000 -0.171 0.000 0.950 25 F CB 1.005 39.897 39.000 -0.180 0.000 1.360 25 F HN 0.450 nan 8.300 nan 0.000 0.469 26 C N 3.038 122.369 119.300 0.051 0.000 2.329 26 C HA 0.570 5.037 4.460 0.013 0.000 0.329 26 C C -0.396 174.663 174.990 0.115 0.000 1.275 26 C CA -0.478 58.531 59.018 -0.015 0.000 1.726 26 C CB -0.343 27.395 27.740 -0.004 0.000 2.291 26 C HN 0.922 nan 8.230 nan 0.000 0.514 27 D N 3.659 124.018 120.400 -0.068 0.000 2.398 27 D HA 0.046 4.694 4.640 0.013 0.000 0.247 27 D C 0.925 177.304 176.300 0.133 0.000 1.227 27 D CA -0.603 53.330 54.000 -0.111 0.000 0.980 27 D CB 0.418 41.063 40.800 -0.259 0.000 1.106 27 D HN 0.364 nan 8.370 nan 0.000 0.493 28 L N 0.495 121.842 121.223 0.207 0.000 2.017 28 L HA 0.018 4.366 4.340 0.013 0.000 0.208 28 L C -0.952 176.096 176.870 0.297 0.000 1.073 28 L CA 1.668 56.685 54.840 0.295 0.000 0.745 28 L CB -1.494 40.756 42.059 0.318 0.000 0.894 28 L HN 0.430 nan 8.230 nan 0.000 0.432 29 P HA 0.001 nan 4.420 nan 0.000 0.218 29 P C 0.604 178.023 177.300 0.199 0.000 1.149 29 P CA 1.847 64.979 63.100 0.054 0.000 0.817 29 P CB 0.002 31.582 31.700 -0.199 0.000 0.785 30 G N -3.216 105.658 108.800 0.123 0.000 2.276 30 G HA2 -0.098 3.869 3.960 0.013 0.000 0.177 30 G HA3 -0.098 3.869 3.960 0.013 0.000 0.177 30 G C -0.214 174.708 174.900 0.037 0.000 1.017 30 G CA -0.601 44.568 45.100 0.115 0.000 0.750 30 G HN 0.063 nan 8.290 nan 0.000 0.506 31 I N 2.521 123.084 120.570 -0.011 0.000 2.365 31 I HA 0.434 4.611 4.170 0.013 0.000 0.291 31 I C 0.839 176.883 176.117 -0.121 0.000 1.004 31 I CA -0.705 60.558 61.300 -0.062 0.000 1.311 31 I CB 1.064 39.023 38.000 -0.068 0.000 1.401 31 I HN 0.003 nan 8.210 nan 0.000 0.491 32 M N 5.617 125.133 119.600 -0.140 0.000 2.238 32 M HA 0.185 4.673 4.480 0.013 0.000 0.347 32 M C 0.177 176.279 176.300 -0.331 0.000 1.173 32 M CA -0.020 55.141 55.300 -0.232 0.000 1.147 32 M CB 0.433 32.910 32.600 -0.205 0.000 1.547 32 M HN 0.423 nan 8.290 nan 0.000 0.455 33 Q N 1.862 121.328 119.800 -0.557 0.000 2.351 33 Q HA 0.636 4.984 4.340 0.013 0.000 0.273 33 Q C -0.840 174.863 176.000 -0.494 0.000 1.077 33 Q CA -0.570 54.856 55.803 -0.628 0.000 0.843 33 Q CB 2.538 30.572 28.738 -1.173 0.000 1.367 33 Q HN 0.909 nan 8.270 nan 0.000 0.449 34 H N -1.446 117.370 119.070 -0.424 0.000 3.064 34 H HA 0.719 5.283 4.556 0.013 0.000 0.352 34 H C -1.441 173.833 175.328 -0.091 0.000 1.260 34 H CA -0.970 54.886 56.048 -0.320 0.000 1.160 34 H CB 1.144 30.721 29.762 -0.308 0.000 1.879 34 H HN 0.517 nan 8.280 nan 0.000 0.544 35 F N -0.684 119.061 119.950 -0.342 0.000 2.643 35 F HA 0.765 5.300 4.527 0.014 0.000 0.314 35 F C -1.448 174.214 175.800 -0.230 0.000 1.096 35 F CA -1.017 56.758 58.000 -0.374 0.000 0.953 35 F CB 1.924 40.789 39.000 -0.225 0.000 1.345 35 F HN 0.608 nan 8.300 nan 0.000 0.468 36 T N 3.171 117.734 114.554 0.015 0.000 2.823 36 T HA 0.687 5.044 4.350 0.013 0.000 0.279 36 T C -0.342 174.441 174.700 0.139 0.000 0.998 36 T CA -0.509 61.584 62.100 -0.012 0.000 0.994 36 T CB 1.318 70.137 68.868 -0.082 0.000 0.960 36 T HN 0.733 nan 8.240 nan 0.000 0.448 37 I N 0.850 121.500 120.570 0.134 0.000 2.693 37 I HA 0.736 4.914 4.170 0.013 0.000 0.303 37 I C -2.737 173.555 176.117 0.292 0.000 1.025 37 I CA -3.269 58.160 61.300 0.214 0.000 1.086 37 I CB 2.115 40.244 38.000 0.216 0.000 1.268 37 I HN 0.302 nan 8.210 nan 0.000 0.440 38 P HA 0.107 nan 4.420 nan 0.000 0.274 38 P C 0.464 177.847 177.300 0.138 0.000 1.237 38 P CA -0.196 63.043 63.100 0.232 0.000 0.793 38 P CB 1.248 33.049 31.700 0.168 0.000 0.977 39 A N 2.542 125.372 122.820 0.017 0.000 1.986 39 A HA -0.210 4.118 4.320 0.013 0.000 0.220 39 A C 2.213 179.895 177.584 0.163 0.000 1.171 39 A CA 2.451 54.544 52.037 0.095 0.000 0.640 39 A CB -1.745 17.259 19.000 0.008 0.000 0.811 39 A HN 0.680 nan 8.150 nan 0.000 0.451 40 S N -0.693 115.065 115.700 0.097 0.000 2.474 40 S HA 0.245 4.722 4.470 0.013 0.000 0.235 40 S C 1.585 176.257 174.600 0.120 0.000 0.997 40 S CA 0.994 59.246 58.200 0.088 0.000 0.949 40 S CB -0.280 62.950 63.200 0.050 0.000 0.766 40 S HN 0.932 nan 8.310 nan 0.000 0.517 41 A N 0.099 123.023 122.820 0.173 0.000 2.308 41 A HA 0.453 4.781 4.320 0.013 0.000 0.217 41 A C 0.359 178.119 177.584 0.294 0.000 1.216 41 A CA -0.443 51.709 52.037 0.191 0.000 0.864 41 A CB -0.396 18.712 19.000 0.180 0.000 0.902 41 A HN 0.524 nan 8.150 nan 0.000 0.499 42 F N 2.918 122.968 119.950 0.166 0.000 2.451 42 F HA 0.441 4.975 4.527 0.012 0.000 0.356 42 F C -0.344 175.667 175.800 0.352 0.000 1.178 42 F CA -1.844 56.313 58.000 0.262 0.000 1.210 42 F CB -0.234 38.920 39.000 0.258 0.000 1.504 42 F HN 0.361 nan 8.300 nan 0.000 0.598 43 D N 2.503 122.949 120.400 0.077 0.000 2.801 43 D HA 0.278 4.926 4.640 0.013 0.000 0.277 43 D C 0.714 177.098 176.300 0.140 0.000 1.125 43 D CA -0.692 53.266 54.000 -0.069 0.000 1.102 43 D CB 0.660 41.412 40.800 -0.080 0.000 1.400 43 D HN 0.143 nan 8.370 nan 0.000 0.601 44 K N -0.443 119.962 120.400 0.009 0.000 2.152 44 K HA -0.127 4.201 4.320 0.013 0.000 0.206 44 K C 1.865 178.586 176.600 0.201 0.000 1.048 44 K CA 1.263 57.640 56.287 0.149 0.000 0.933 44 K CB -0.254 32.239 32.500 -0.011 0.000 0.721 44 K HN 0.313 nan 8.250 nan 0.000 0.447 45 S N 0.690 116.465 115.700 0.126 0.000 2.402 45 S HA -0.127 4.350 4.470 0.013 0.000 0.233 45 S C 1.915 176.609 174.600 0.157 0.000 1.030 45 S CA 1.071 59.342 58.200 0.117 0.000 1.003 45 S CB -0.125 63.126 63.200 0.084 0.000 0.813 45 S HN 0.084 nan 8.310 nan 0.000 0.477 46 V N 0.706 120.745 119.914 0.209 0.000 2.358 46 V HA -0.106 4.022 4.120 0.013 0.000 0.246 46 V C 1.961 178.099 176.094 0.074 0.000 1.047 46 V CA 1.805 64.218 62.300 0.187 0.000 1.035 46 V CB -0.815 31.167 31.823 0.265 0.000 0.658 46 V HN 0.502 nan 8.190 nan 0.000 0.452 47 F N 0.323 120.325 119.950 0.087 0.000 2.206 47 F HA -0.070 4.464 4.527 0.012 0.000 0.298 47 F C 2.254 178.062 175.800 0.013 0.000 1.090 47 F CA 1.452 59.468 58.000 0.027 0.000 1.323 47 F CB -0.349 38.656 39.000 0.008 0.000 1.028 47 F HN 0.200 nan 8.300 nan 0.000 0.492 48 D N -0.565 119.955 120.400 0.199 0.000 2.183 48 D HA -0.083 4.564 4.640 0.013 0.000 0.205 48 D C 1.502 177.835 176.300 0.056 0.000 0.962 48 D CA 1.208 55.270 54.000 0.103 0.000 0.849 48 D CB -0.196 40.655 40.800 0.085 0.000 0.978 48 D HN 0.276 nan 8.370 nan 0.000 0.488 49 D N -0.495 119.943 120.400 0.063 0.000 2.422 49 D HA 0.211 4.859 4.640 0.013 0.000 0.218 49 D C 1.331 177.654 176.300 0.038 0.000 1.047 49 D CA 0.771 54.794 54.000 0.039 0.000 0.885 49 D CB 1.566 42.391 40.800 0.043 0.000 1.035 49 D HN 0.181 nan 8.370 nan 0.000 0.502 50 G N 0.998 109.839 108.800 0.069 0.000 2.782 50 G HA2 -0.204 3.764 3.960 0.013 0.000 0.228 50 G HA3 -0.204 3.764 3.960 0.013 0.000 0.228 50 G C -0.797 174.184 174.900 0.133 0.000 1.372 50 G CA -0.552 44.612 45.100 0.106 0.000 0.862 50 G HN 0.188 nan 8.290 nan 0.000 0.547 51 L N -0.120 121.207 121.223 0.173 0.000 2.370 51 L HA 0.781 5.129 4.340 0.013 0.000 0.266 51 L C 0.771 177.730 176.870 0.149 0.000 1.002 51 L CA -0.601 54.340 54.840 0.169 0.000 0.818 51 L CB 2.102 44.323 42.059 0.271 0.000 1.325 51 L HN 1.265 nan 8.230 nan 0.000 0.418 52 A N 2.150 125.011 122.820 0.068 0.000 2.293 52 A HA 0.881 5.209 4.320 0.013 0.000 0.302 52 A C -0.839 176.786 177.584 0.069 0.000 1.119 52 A CA -0.210 51.840 52.037 0.022 0.000 0.823 52 A CB 0.712 19.666 19.000 -0.077 0.000 1.097 52 A HN 0.654 nan 8.150 nan 0.000 0.491 53 F N -0.821 119.029 119.950 -0.167 0.000 2.789 53 F HA 0.633 5.168 4.527 0.014 0.000 0.319 53 F C -1.060 174.676 175.800 -0.108 0.000 1.168 53 F CA -1.187 56.716 58.000 -0.161 0.000 0.934 53 F CB 1.226 40.170 39.000 -0.093 0.000 1.375 53 F HN 0.401 nan 8.300 nan 0.000 0.480 54 D N 0.846 121.204 120.400 -0.071 0.000 2.441 54 D HA 0.292 4.940 4.640 0.013 0.000 0.221 54 D C 1.136 177.348 176.300 -0.146 0.000 1.156 54 D CA -0.004 53.906 54.000 -0.149 0.000 0.896 54 D CB 1.141 41.932 40.800 -0.015 0.000 1.028 54 D HN 0.876 nan 8.370 nan 0.000 0.509 55 G N 2.147 110.686 108.800 -0.435 0.000 2.535 55 G HA2 -0.180 3.788 3.960 0.013 0.000 0.218 55 G HA3 -0.180 3.788 3.960 0.013 0.000 0.218 55 G C 1.303 176.258 174.900 0.092 0.000 1.122 55 G CA 0.233 45.242 45.100 -0.152 0.000 0.769 55 G HN 0.472 nan 8.290 nan 0.000 0.549 56 S N 0.151 115.869 115.700 0.030 0.000 2.501 56 S HA 0.045 4.523 4.470 0.013 0.000 0.220 56 S C 2.282 176.934 174.600 0.086 0.000 0.997 56 S CA 0.455 58.696 58.200 0.068 0.000 0.919 56 S CB 0.226 63.447 63.200 0.036 0.000 0.778 56 S HN 0.302 nan 8.310 nan 0.000 0.523 57 S N 1.035 116.787 115.700 0.086 0.000 2.575 57 S HA 0.288 4.765 4.470 0.013 0.000 0.215 57 S C 0.280 174.922 174.600 0.069 0.000 0.966 57 S CA 0.091 58.337 58.200 0.078 0.000 0.911 57 S CB 0.101 63.343 63.200 0.070 0.000 0.780 57 S HN 0.276 nan 8.310 nan 0.000 0.514 58 I N 2.740 123.355 120.570 0.074 0.000 2.336 58 I HA 0.322 4.500 4.170 0.013 0.000 0.292 58 I C 0.421 176.504 176.117 -0.056 0.000 0.991 58 I CA -0.565 60.693 61.300 -0.070 0.000 1.227 58 I CB 0.927 38.780 38.000 -0.245 0.000 1.366 58 I HN -0.046 nan 8.210 nan 0.000 0.466 59 R N 3.581 124.036 120.500 -0.075 0.000 2.489 59 R HA 0.323 4.670 4.340 0.013 0.000 0.287 59 R C 1.092 177.410 176.300 0.031 0.000 1.053 59 R CA 0.731 56.833 56.100 0.004 0.000 1.036 59 R CB 0.249 30.521 30.300 -0.046 0.000 0.966 59 R HN 0.992 nan 8.270 nan 0.000 0.432 60 G N 1.882 110.777 108.800 0.159 0.000 2.159 60 G HA2 -0.285 3.683 3.960 0.013 0.000 0.256 60 G HA3 -0.285 3.683 3.960 0.013 0.000 0.256 60 G C -0.034 175.191 174.900 0.543 0.000 0.977 60 G CA -0.038 45.224 45.100 0.270 0.000 0.652 60 G HN 0.464 nan 8.290 nan 0.000 0.531 61 F N 0.180 120.249 119.950 0.198 0.000 2.678 61 F HA 0.558 5.092 4.527 0.012 0.000 0.166 61 F C 1.336 177.273 175.800 0.227 0.000 1.247 61 F CA -0.217 57.962 58.000 0.299 0.000 0.970 61 F CB -0.697 38.487 39.000 0.307 0.000 1.771 61 F HN -0.009 nan 8.300 nan 0.000 0.596 62 Q N 0.606 120.625 119.800 0.366 0.000 2.193 62 Q HA 0.335 4.683 4.340 0.013 0.000 0.246 62 Q C -0.201 175.862 176.000 0.106 0.000 0.959 62 Q CA -0.438 55.458 55.803 0.155 0.000 0.904 62 Q CB 1.550 30.297 28.738 0.015 0.000 1.238 62 Q HN 0.517 nan 8.270 nan 0.000 0.469 63 S N -0.345 115.374 115.700 0.033 0.000 2.632 63 S HA 0.266 4.743 4.470 0.013 0.000 0.267 63 S C 1.188 175.791 174.600 0.005 0.000 1.276 63 S CA -0.689 57.535 58.200 0.041 0.000 0.998 63 S CB 0.555 63.781 63.200 0.044 0.000 0.953 63 S HN 0.727 nan 8.310 nan 0.000 0.547 64 I N 1.220 121.857 120.570 0.111 0.000 2.361 64 I HA -0.200 3.978 4.170 0.013 0.000 0.251 64 I C 2.282 178.457 176.117 0.096 0.000 1.133 64 I CA 1.448 62.805 61.300 0.095 0.000 1.413 64 I CB -0.228 37.837 38.000 0.108 0.000 1.073 64 I HN 0.899 nan 8.210 nan 0.000 0.424 65 H N -0.077 119.005 119.070 0.020 0.000 2.548 65 H HA 0.115 4.678 4.556 0.013 0.000 0.268 65 H C 0.361 175.704 175.328 0.024 0.000 0.975 65 H CA 0.322 56.382 56.048 0.019 0.000 1.195 65 H CB -0.348 29.427 29.762 0.022 0.000 1.397 65 H HN 0.466 nan 8.280 nan 0.000 0.572 66 E N 1.344 121.340 120.200 -0.340 0.000 3.167 66 E HA 0.099 4.457 4.350 0.013 0.000 0.210 66 E C 0.928 177.436 176.600 -0.153 0.000 1.004 66 E CA 0.055 56.321 56.400 -0.223 0.000 1.256 66 E CB 0.897 30.425 29.700 -0.286 0.000 1.193 66 E HN 0.460 nan 8.360 nan 0.000 0.448 67 S N -0.306 115.320 115.700 -0.124 0.000 2.345 67 S HA -0.116 4.362 4.470 0.013 0.000 0.219 67 S C 0.772 175.223 174.600 -0.249 0.000 1.031 67 S CA 0.422 58.536 58.200 -0.143 0.000 0.984 67 S CB -0.284 62.858 63.200 -0.096 0.000 0.874 67 S HN 0.129 nan 8.310 nan 0.000 0.451 68 D N 2.529 122.783 120.400 -0.243 0.000 2.586 68 D HA 0.294 4.942 4.640 0.013 0.000 0.234 68 D C -0.006 176.034 176.300 -0.434 0.000 1.132 68 D CA 1.006 54.809 54.000 -0.328 0.000 0.860 68 D CB 0.111 40.749 40.800 -0.270 0.000 1.159 68 D HN 0.212 nan 8.370 nan 0.000 0.490 69 M N 1.262 120.489 119.600 -0.622 0.000 2.667 69 M HA 0.509 4.997 4.480 0.013 0.000 0.286 69 M C -0.951 175.136 176.300 -0.355 0.000 1.270 69 M CA -0.940 53.990 55.300 -0.615 0.000 0.826 69 M CB 1.752 33.797 32.600 -0.924 0.000 1.743 69 M HN 0.269 nan 8.290 nan 0.000 0.460 70 L N 1.183 122.346 121.223 -0.101 0.000 2.354 70 L HA 0.772 5.120 4.340 0.013 0.000 0.269 70 L C -1.831 175.167 176.870 0.213 0.000 1.005 70 L CA -0.362 54.518 54.840 0.067 0.000 0.819 70 L CB 1.821 43.888 42.059 0.013 0.000 1.311 70 L HN 0.638 nan 8.230 nan 0.000 0.423 71 L N 5.084 126.436 121.223 0.214 0.000 2.362 71 L HA 0.596 4.944 4.340 0.013 0.000 0.275 71 L C -1.207 175.877 176.870 0.357 0.000 0.998 71 L CA -0.489 54.508 54.840 0.263 0.000 0.820 71 L CB 1.899 44.016 42.059 0.097 0.000 1.270 71 L HN 0.480 nan 8.230 nan 0.000 0.415 72 L N 4.724 126.150 121.223 0.339 0.000 2.362 72 L HA 0.572 4.919 4.340 0.013 0.000 0.275 72 L C -2.296 174.433 176.870 -0.235 0.000 0.998 72 L CA -1.851 53.026 54.840 0.062 0.000 0.820 72 L CB 2.450 44.421 42.059 -0.146 0.000 1.270 72 L HN 0.309 nan 8.230 nan 0.000 0.415 73 P HA 0.023 nan 4.420 nan 0.000 0.271 73 P C -1.235 175.743 177.300 -0.537 0.000 1.218 73 P CA -0.142 62.086 63.100 -1.453 0.000 0.780 73 P CB 1.044 31.772 31.700 -1.621 0.000 0.901 74 D N 3.437 123.582 120.400 -0.425 0.000 2.472 74 D HA 0.174 4.822 4.640 0.013 0.000 0.234 74 D C -1.453 174.804 176.300 -0.072 0.000 1.088 74 D CA -2.612 51.335 54.000 -0.089 0.000 0.882 74 D CB 0.725 41.461 40.800 -0.107 0.000 1.037 74 D HN 0.102 nan 8.370 nan 0.000 0.520 75 P HA -0.145 nan 4.420 nan 0.000 0.221 75 P C 0.803 178.112 177.300 0.015 0.000 1.145 75 P CA 0.748 63.887 63.100 0.065 0.000 0.795 75 P CB 0.521 32.292 31.700 0.119 0.000 0.775 76 E N -0.275 119.938 120.200 0.023 0.000 2.333 76 E HA -0.092 4.266 4.350 0.013 0.000 0.198 76 E C 1.623 178.191 176.600 -0.055 0.000 1.007 76 E CA 1.627 58.024 56.400 -0.004 0.000 0.845 76 E CB -0.767 28.970 29.700 0.062 0.000 0.766 76 E HN 0.465 nan 8.360 nan 0.000 0.507 77 T N -2.410 112.112 114.554 -0.053 0.000 3.069 77 T HA 0.412 4.770 4.350 0.013 0.000 0.252 77 T C 0.850 175.504 174.700 -0.077 0.000 1.053 77 T CA 0.081 62.136 62.100 -0.074 0.000 0.964 77 T CB 0.274 69.098 68.868 -0.074 0.000 1.005 77 T HN 0.070 nan 8.240 nan 0.000 0.532 78 A N 2.697 125.479 122.820 -0.064 0.000 2.522 78 A HA 0.552 4.880 4.320 0.013 0.000 0.256 78 A C 0.245 177.793 177.584 -0.059 0.000 1.086 78 A CA -0.243 51.758 52.037 -0.059 0.000 0.763 78 A CB 0.047 19.027 19.000 -0.033 0.000 1.024 78 A HN 0.410 nan 8.150 nan 0.000 0.502 79 R N 2.255 122.719 120.500 -0.060 0.000 2.740 79 R HA 0.404 4.751 4.340 0.013 0.000 0.273 79 R C -0.944 175.332 176.300 -0.041 0.000 0.998 79 R CA -0.929 55.144 56.100 -0.046 0.000 0.900 79 R CB 1.162 31.441 30.300 -0.036 0.000 1.223 79 R HN 0.606 nan 8.270 nan 0.000 0.466 80 I N 1.780 122.331 120.570 -0.031 0.000 2.496 80 I HA 0.033 4.210 4.170 0.013 0.000 0.285 80 I C 0.849 176.946 176.117 -0.033 0.000 1.080 80 I CA -0.031 61.251 61.300 -0.029 0.000 1.404 80 I CB 0.441 38.426 38.000 -0.026 0.000 1.403 80 I HN 0.401 nan 8.210 nan 0.000 0.539 81 D N 9.075 129.465 120.400 -0.017 0.000 2.348 81 D HA 0.119 4.767 4.640 0.013 0.000 0.253 81 D C -1.672 174.570 176.300 -0.097 0.000 1.161 81 D CA -1.146 52.856 54.000 0.004 0.000 0.876 81 D CB 1.909 42.760 40.800 0.085 0.000 1.160 81 D HN 0.290 nan 8.370 nan 0.000 0.459 82 P HA 0.079 nan 4.420 nan 0.000 0.249 82 P C 0.547 177.542 177.300 -0.508 0.000 1.229 82 P CA 0.288 63.091 63.100 -0.495 0.000 0.788 82 P CB 0.105 31.368 31.700 -0.729 0.000 1.072 83 F N -0.313 119.656 119.950 0.032 0.000 2.553 83 F HA 0.278 4.813 4.527 0.014 0.000 0.282 83 F C 1.320 177.139 175.800 0.032 0.000 1.089 83 F CA -0.248 57.760 58.000 0.013 0.000 1.411 83 F CB -0.575 38.408 39.000 -0.029 0.000 1.125 83 F HN -0.352 nan 8.300 nan 0.000 0.610 84 R N 0.886 121.511 120.500 0.209 0.000 2.347 84 R HA 0.375 4.723 4.340 0.013 0.000 0.304 84 R C 1.252 177.620 176.300 0.112 0.000 1.072 84 R CA 0.308 56.498 56.100 0.151 0.000 0.980 84 R CB 0.893 31.277 30.300 0.140 0.000 0.986 84 R HN 0.188 nan 8.270 nan 0.000 0.448 85 A N 3.466 126.348 122.820 0.102 0.000 1.940 85 A HA -0.077 4.251 4.320 0.013 0.000 0.219 85 A C 1.060 178.701 177.584 0.095 0.000 1.176 85 A CA 1.520 53.608 52.037 0.086 0.000 0.631 85 A CB -0.167 18.879 19.000 0.077 0.000 0.814 85 A HN 0.740 nan 8.150 nan 0.000 0.446 86 A N 0.132 123.030 122.820 0.130 0.000 2.347 86 A HA 0.470 4.798 4.320 0.013 0.000 0.287 86 A C 0.255 177.941 177.584 0.170 0.000 1.199 86 A CA -0.438 51.709 52.037 0.183 0.000 0.851 86 A CB -0.140 19.062 19.000 0.336 0.000 1.118 86 A HN 0.330 nan 8.150 nan 0.000 0.525 87 K N 2.306 122.769 120.400 0.105 0.000 2.466 87 K HA 0.167 4.495 4.320 0.013 0.000 0.278 87 K C -0.391 176.261 176.600 0.088 0.000 1.048 87 K CA 1.070 57.398 56.287 0.069 0.000 1.088 87 K CB -0.041 32.477 32.500 0.030 0.000 0.884 87 K HN 0.625 nan 8.250 nan 0.000 0.478 88 T N 4.984 119.585 114.554 0.077 0.000 2.861 88 T HA 0.380 4.737 4.350 0.013 0.000 0.287 88 T C -1.409 173.299 174.700 0.012 0.000 1.003 88 T CA -0.741 61.406 62.100 0.077 0.000 0.977 88 T CB 1.024 69.954 68.868 0.104 0.000 0.996 88 T HN 0.436 nan 8.240 nan 0.000 0.448 89 L N 4.090 125.295 121.223 -0.029 0.000 2.287 89 L HA 0.548 4.896 4.340 0.013 0.000 0.287 89 L C -0.728 176.073 176.870 -0.115 0.000 1.022 89 L CA -0.466 54.327 54.840 -0.078 0.000 0.814 89 L CB 0.708 42.697 42.059 -0.116 0.000 1.217 89 L HN 0.456 nan 8.230 nan 0.000 0.420 90 N N 6.672 125.311 118.700 -0.101 0.000 2.479 90 N HA 0.570 5.318 4.740 0.013 0.000 0.285 90 N C -0.986 174.458 175.510 -0.110 0.000 1.075 90 N CA -0.068 52.906 53.050 -0.126 0.000 0.967 90 N CB 1.713 40.107 38.487 -0.154 0.000 1.137 90 N HN 0.523 nan 8.380 nan 0.000 0.472 91 I N 1.132 121.655 120.570 -0.079 0.000 2.569 91 I HA 0.249 4.427 4.170 0.013 0.000 0.290 91 I C -0.585 175.584 176.117 0.087 0.000 1.088 91 I CA -0.991 60.297 61.300 -0.020 0.000 1.047 91 I CB 1.878 39.870 38.000 -0.013 0.000 1.237 91 I HN 0.159 nan 8.210 nan 0.000 0.421 92 N N 4.767 123.467 118.700 -0.000 0.000 2.525 92 N HA 0.538 5.286 4.740 0.013 0.000 0.271 92 N C -1.109 174.411 175.510 0.015 0.000 1.194 92 N CA 0.217 53.276 53.050 0.015 0.000 0.964 92 N CB 0.806 39.230 38.487 -0.105 0.000 1.126 92 N HN 0.351 nan 8.380 nan 0.000 0.452 93 F N 0.350 120.167 119.950 -0.222 0.000 2.579 93 F HA 0.497 5.033 4.527 0.014 0.000 0.324 93 F C -0.124 175.523 175.800 -0.255 0.000 1.058 93 F CA -1.013 56.877 58.000 -0.183 0.000 0.944 93 F CB 1.271 40.215 39.000 -0.093 0.000 1.245 93 F HN 0.224 nan 8.300 nan 0.000 0.477 94 F N 1.214 121.267 119.950 0.173 0.000 2.397 94 F HA 0.528 5.062 4.527 0.011 0.000 0.331 94 F C -0.114 175.822 175.800 0.227 0.000 1.090 94 F CA -0.939 57.152 58.000 0.152 0.000 1.065 94 F CB 1.238 40.336 39.000 0.163 0.000 1.184 94 F HN -0.086 nan 8.300 nan 0.000 0.499 95 V N 3.457 123.555 119.914 0.306 0.000 2.465 95 V HA 0.290 4.418 4.120 0.013 0.000 0.279 95 V C -0.111 176.023 176.094 0.066 0.000 1.045 95 V CA -0.525 61.889 62.300 0.189 0.000 0.938 95 V CB 0.598 32.502 31.823 0.135 0.000 0.986 95 V HN 0.671 nan 8.190 nan 0.000 0.467 96 H N 1.672 120.764 119.070 0.036 0.000 2.747 96 H HA 0.317 4.880 4.556 0.012 0.000 0.371 96 H C -0.894 174.381 175.328 -0.087 0.000 1.161 96 H CA -0.782 55.269 56.048 0.005 0.000 1.167 96 H CB 2.446 32.223 29.762 0.024 0.000 1.732 96 H HN 0.738 nan 8.280 nan 0.000 0.544 97 D N 2.345 122.774 120.400 0.048 0.000 2.424 97 D HA 0.007 4.655 4.640 0.013 0.000 0.244 97 D C -1.350 174.935 176.300 -0.025 0.000 1.134 97 D CA -1.226 52.768 54.000 -0.009 0.000 0.881 97 D CB 1.177 42.020 40.800 0.071 0.000 1.191 97 D HN 0.219 nan 8.370 nan 0.000 0.445 98 P HA -0.046 nan 4.420 nan 0.000 0.233 98 P C 0.532 177.637 177.300 -0.325 0.000 1.167 98 P CA 0.790 63.724 63.100 -0.277 0.000 0.770 98 P CB 0.169 31.596 31.700 -0.456 0.000 0.837 99 F N 0.874 120.809 119.950 -0.025 0.000 2.208 99 F HA -0.001 4.534 4.527 0.013 0.000 0.282 99 F C 2.655 178.455 175.800 -0.001 0.000 1.071 99 F CA 1.887 59.878 58.000 -0.015 0.000 1.228 99 F CB -1.606 37.384 39.000 -0.018 0.000 1.088 99 F HN -0.120 nan 8.300 nan 0.000 0.512 100 T N -1.790 112.891 114.554 0.213 0.000 3.043 100 T HA 0.037 4.395 4.350 0.013 0.000 0.263 100 T C 1.213 175.971 174.700 0.097 0.000 1.094 100 T CA 0.759 62.935 62.100 0.127 0.000 1.127 100 T CB -0.548 68.381 68.868 0.101 0.000 0.905 100 T HN 0.299 nan 8.240 nan 0.000 0.490 101 L N -0.888 120.394 121.223 0.099 0.000 4.696 101 L HA -0.139 4.209 4.340 0.013 0.000 0.425 101 L C -0.098 176.908 176.870 0.227 0.000 1.115 101 L CA 0.401 55.308 54.840 0.112 0.000 0.996 101 L CB -2.008 40.076 42.059 0.042 0.000 2.077 101 L HN 0.360 nan 8.230 nan 0.000 0.792 102 E N 1.047 121.346 120.200 0.166 0.000 2.331 102 E HA 0.314 4.672 4.350 0.013 0.000 0.272 102 E C -1.969 174.643 176.600 0.021 0.000 1.036 102 E CA -1.810 54.661 56.400 0.117 0.000 0.864 102 E CB 0.636 30.367 29.700 0.052 0.000 1.035 102 E HN -0.044 nan 8.360 nan 0.000 0.408 103 P HA -0.111 nan 4.420 nan 0.000 0.265 103 P C -0.524 176.668 177.300 -0.179 0.000 1.187 103 P CA 0.376 63.184 63.100 -0.486 0.000 0.766 103 P CB 0.123 31.597 31.700 -0.376 0.000 0.820 104 Y N 2.356 122.462 120.300 -0.323 0.000 2.335 104 Y HA 0.087 4.644 4.550 0.012 0.000 0.331 104 Y C 1.643 177.406 175.900 -0.228 0.000 1.094 104 Y CA -0.469 57.485 58.100 -0.242 0.000 1.253 104 Y CB 0.541 38.838 38.460 -0.272 0.000 1.203 104 Y HN 0.412 nan 8.280 nan 0.000 0.508 105 S N 4.337 119.767 115.700 -0.449 0.000 2.507 105 S HA -0.023 4.455 4.470 0.013 0.000 0.235 105 S C 1.044 175.291 174.600 -0.590 0.000 0.988 105 S CA 0.813 58.747 58.200 -0.444 0.000 0.944 105 S CB -0.112 62.899 63.200 -0.315 0.000 0.762 105 S HN 0.797 nan 8.310 nan 0.000 0.526 106 R N 0.813 120.681 120.500 -1.054 0.000 2.613 106 R HA 0.268 4.616 4.340 0.013 0.000 0.361 106 R C -0.916 175.081 176.300 -0.505 0.000 1.072 106 R CA -0.145 55.499 56.100 -0.760 0.000 1.089 106 R CB 0.192 30.051 30.300 -0.736 0.000 1.343 106 R HN 0.282 nan 8.270 nan 0.000 0.571 107 D N 1.473 121.668 120.400 -0.342 0.000 2.339 107 D HA 0.119 4.767 4.640 0.013 0.000 0.241 107 D C -1.683 174.554 176.300 -0.105 0.000 1.183 107 D CA -2.473 51.496 54.000 -0.052 0.000 0.859 107 D CB 1.714 42.550 40.800 0.059 0.000 1.067 107 D HN -0.133 nan 8.370 nan 0.000 0.484 108 P HA -0.151 nan 4.420 nan 0.000 0.216 108 P C 1.143 178.264 177.300 -0.298 0.000 1.150 108 P CA 1.233 64.230 63.100 -0.172 0.000 0.843 108 P CB 0.226 31.874 31.700 -0.087 0.000 0.787 109 R N -1.104 119.131 120.500 -0.442 0.000 2.096 109 R HA -0.126 4.221 4.340 0.013 0.000 0.235 109 R C 2.130 178.503 176.300 0.122 0.000 1.127 109 R CA 1.361 57.257 56.100 -0.341 0.000 0.968 109 R CB -1.005 28.997 30.300 -0.496 0.000 0.861 109 R HN 0.209 nan 8.270 nan 0.000 0.440 110 N N 1.114 119.870 118.700 0.094 0.000 2.166 110 N HA -0.127 4.621 4.740 0.013 0.000 0.186 110 N C 1.578 177.011 175.510 -0.128 0.000 1.019 110 N CA 1.136 54.170 53.050 -0.026 0.000 0.856 110 N CB 0.006 38.426 38.487 -0.111 0.000 0.993 110 N HN 0.044 nan 8.380 nan 0.000 0.426 111 I N 0.779 121.225 120.570 -0.206 0.000 2.179 111 I HA -0.137 4.040 4.170 0.013 0.000 0.242 111 I C 2.319 178.310 176.117 -0.211 0.000 1.088 111 I CA 1.075 62.174 61.300 -0.335 0.000 1.357 111 I CB -1.895 35.756 38.000 -0.582 0.000 1.051 111 I HN 0.133 nan 8.210 nan 0.000 0.409 112 A N 0.767 123.536 122.820 -0.084 0.000 1.902 112 A HA -0.204 4.124 4.320 0.013 0.000 0.217 112 A C 2.528 180.130 177.584 0.029 0.000 1.181 112 A CA 1.297 53.347 52.037 0.022 0.000 0.623 112 A CB -0.582 18.517 19.000 0.165 0.000 0.818 112 A HN 0.286 nan 8.150 nan 0.000 0.443 113 R N -0.219 120.300 120.500 0.032 0.000 2.082 113 R HA -0.155 4.193 4.340 0.013 0.000 0.234 113 R C 2.230 178.512 176.300 -0.030 0.000 1.136 113 R CA 1.963 58.062 56.100 -0.001 0.000 0.935 113 R CB -0.332 29.925 30.300 -0.072 0.000 0.842 113 R HN 0.529 nan 8.270 nan 0.000 0.430 114 K N -0.181 120.179 120.400 -0.066 0.000 2.097 114 K HA -0.113 4.214 4.320 0.013 0.000 0.206 114 K C 2.114 178.720 176.600 0.010 0.000 1.049 114 K CA 1.290 57.544 56.287 -0.055 0.000 0.933 114 K CB -0.145 32.285 32.500 -0.117 0.000 0.717 114 K HN 0.171 nan 8.250 nan 0.000 0.442 115 A N 1.833 124.654 122.820 0.001 0.000 1.883 115 A HA -0.231 4.097 4.320 0.013 0.000 0.217 115 A C 1.955 179.623 177.584 0.141 0.000 1.186 115 A CA 1.606 53.692 52.037 0.083 0.000 0.624 115 A CB -0.433 18.607 19.000 0.067 0.000 0.822 115 A HN 0.302 nan 8.150 nan 0.000 0.444 116 E N -0.304 119.947 120.200 0.085 0.000 2.077 116 E HA -0.184 4.174 4.350 0.013 0.000 0.193 116 E C 1.801 178.437 176.600 0.060 0.000 0.989 116 E CA 1.151 57.592 56.400 0.069 0.000 0.800 116 E CB -0.208 29.507 29.700 0.025 0.000 0.746 116 E HN 0.543 nan 8.360 nan 0.000 0.452 117 N N 0.292 119.024 118.700 0.055 0.000 2.142 117 N HA -0.169 4.579 4.740 0.013 0.000 0.186 117 N C 1.612 177.166 175.510 0.073 0.000 1.023 117 N CA 0.841 53.918 53.050 0.044 0.000 0.852 117 N CB -0.484 38.017 38.487 0.025 0.000 0.998 117 N HN 0.239 nan 8.380 nan 0.000 0.424 118 Y N 1.601 121.903 120.300 0.003 0.000 2.128 118 Y HA -0.182 4.376 4.550 0.013 0.000 0.284 118 Y C 2.275 178.193 175.900 0.030 0.000 1.154 118 Y CA 1.158 59.266 58.100 0.015 0.000 1.149 118 Y CB -0.601 37.871 38.460 0.019 0.000 0.976 118 Y HN 0.011 nan 8.280 nan 0.000 0.505 119 L N 0.515 121.761 121.223 0.039 0.000 2.013 119 L HA -0.247 4.101 4.340 0.013 0.000 0.212 119 L C 2.203 179.019 176.870 -0.089 0.000 1.073 119 L CA 2.047 56.873 54.840 -0.024 0.000 0.753 119 L CB -0.911 41.204 42.059 0.093 0.000 0.890 119 L HN 0.382 nan 8.230 nan 0.000 0.432 120 I N -0.453 120.087 120.570 -0.051 0.000 2.208 120 I HA -0.314 3.864 4.170 0.013 0.000 0.245 120 I C 2.620 178.686 176.117 -0.085 0.000 1.097 120 I CA 1.553 62.825 61.300 -0.047 0.000 1.363 120 I CB -0.605 37.383 38.000 -0.021 0.000 1.051 120 I HN 0.531 nan 8.210 nan 0.000 0.413 121 S N 0.008 115.631 115.700 -0.128 0.000 2.442 121 S HA -0.180 4.298 4.470 0.013 0.000 0.236 121 S C 2.039 176.520 174.600 -0.198 0.000 1.007 121 S CA 1.471 59.585 58.200 -0.145 0.000 0.965 121 S CB -1.037 62.085 63.200 -0.131 0.000 0.773 121 S HN 0.616 nan 8.310 nan 0.000 0.504 122 T N -2.577 111.804 114.554 -0.288 0.000 3.023 122 T HA 0.344 4.702 4.350 0.013 0.000 0.266 122 T C 1.885 176.517 174.700 -0.113 0.000 1.093 122 T CA 1.157 63.113 62.100 -0.240 0.000 1.129 122 T CB -0.933 67.765 68.868 -0.282 0.000 0.899 122 T HN 1.287 nan 8.240 nan 0.000 0.491 123 G N 1.103 109.852 108.800 -0.085 0.000 2.179 123 G HA2 -0.292 3.676 3.960 0.013 0.000 0.260 123 G HA3 -0.292 3.676 3.960 0.013 0.000 0.260 123 G C 0.823 175.709 174.900 -0.023 0.000 0.977 123 G CA 0.401 45.476 45.100 -0.042 0.000 0.641 123 G HN 0.582 nan 8.290 nan 0.000 0.533 124 I N 0.710 121.266 120.570 -0.024 0.000 2.202 124 I HA 0.293 4.471 4.170 0.013 0.000 0.242 124 I C 1.660 177.789 176.117 0.019 0.000 1.091 124 I CA 1.780 63.084 61.300 0.007 0.000 1.368 124 I CB -0.231 37.785 38.000 0.027 0.000 1.058 124 I HN 0.659 nan 8.210 nan 0.000 0.410 125 A N 0.147 122.979 122.820 0.019 0.000 2.557 125 A HA 0.432 4.759 4.320 0.013 0.000 0.292 125 A C -0.868 176.731 177.584 0.025 0.000 1.139 125 A CA -0.119 51.939 52.037 0.035 0.000 0.665 125 A CB 0.690 19.725 19.000 0.058 0.000 1.285 125 A HN 0.213 nan 8.150 nan 0.000 0.433 126 D N -1.472 118.949 120.400 0.035 0.000 2.479 126 D HA 0.262 4.910 4.640 0.013 0.000 0.216 126 D C 0.098 176.391 176.300 -0.013 0.000 1.110 126 D CA 0.767 54.776 54.000 0.016 0.000 0.841 126 D CB 0.607 41.422 40.800 0.024 0.000 1.040 126 D HN 0.344 nan 8.370 nan 0.000 0.505 127 T N 0.204 114.739 114.554 -0.032 0.000 2.921 127 T HA 0.727 5.084 4.350 0.013 0.000 0.297 127 T C -1.100 173.486 174.700 -0.191 0.000 1.013 127 T CA -0.778 61.210 62.100 -0.187 0.000 0.990 127 T CB 1.909 70.529 68.868 -0.413 0.000 1.023 127 T HN 0.203 nan 8.240 nan 0.000 0.447 128 A N 2.938 125.671 122.820 -0.145 0.000 2.267 128 A HA 0.710 5.038 4.320 0.013 0.000 0.315 128 A C -1.241 176.348 177.584 0.007 0.000 1.297 128 A CA -0.579 51.450 52.037 -0.014 0.000 0.865 128 A CB 0.157 19.298 19.000 0.235 0.000 1.165 128 A HN 0.741 nan 8.150 nan 0.000 0.513 129 Y N 1.108 121.432 120.300 0.040 0.000 2.313 129 Y HA 0.533 5.093 4.550 0.017 0.000 0.332 129 Y C -0.409 175.437 175.900 -0.089 0.000 1.071 129 Y CA -0.502 57.633 58.100 0.059 0.000 1.169 129 Y CB 1.038 39.451 38.460 -0.079 0.000 1.192 129 Y HN 0.571 nan 8.280 nan 0.000 0.487 130 F N 1.259 121.308 119.950 0.164 0.000 2.477 130 F HA 0.593 5.126 4.527 0.010 0.000 0.335 130 F C 0.513 176.334 175.800 0.036 0.000 1.130 130 F CA -0.952 57.013 58.000 -0.058 0.000 0.948 130 F CB 2.023 40.760 39.000 -0.438 0.000 1.154 130 F HN 0.594 nan 8.300 nan 0.000 0.439 131 G N 2.465 111.350 108.800 0.141 0.000 2.588 131 G HA2 0.633 4.601 3.960 0.013 0.000 0.312 131 G HA3 0.633 4.601 3.960 0.013 0.000 0.312 131 G C -1.200 173.751 174.900 0.085 0.000 1.257 131 G CA -0.563 44.600 45.100 0.106 0.000 0.994 131 G HN 0.824 nan 8.290 nan 0.000 0.498 132 A N 2.836 125.662 122.820 0.009 0.000 2.324 132 A HA 0.783 5.111 4.320 0.013 0.000 0.330 132 A C -0.099 177.453 177.584 -0.053 0.000 1.165 132 A CA -0.753 51.338 52.037 0.090 0.000 0.813 132 A CB 1.076 20.238 19.000 0.269 0.000 1.197 132 A HN 0.615 nan 8.150 nan 0.000 0.484 133 E N 1.747 121.984 120.200 0.061 0.000 2.256 133 E HA 0.447 4.805 4.350 0.013 0.000 0.243 133 E C -0.464 176.168 176.600 0.053 0.000 0.925 133 E CA -0.395 56.016 56.400 0.018 0.000 0.748 133 E CB 1.504 31.253 29.700 0.083 0.000 1.206 133 E HN 0.677 nan 8.360 nan 0.000 0.428 134 A N 3.909 126.810 122.820 0.135 0.000 2.415 134 A HA 0.174 4.502 4.320 0.013 0.000 0.309 134 A C 0.052 177.928 177.584 0.487 0.000 1.356 134 A CA -0.436 51.823 52.037 0.370 0.000 0.998 134 A CB 0.062 19.386 19.000 0.540 0.000 1.145 134 A HN 0.524 nan 8.150 nan 0.000 0.545 135 E N 1.019 121.346 120.200 0.213 0.000 2.373 135 E HA 0.561 4.919 4.350 0.013 0.000 0.263 135 E C -0.570 175.995 176.600 -0.059 0.000 1.073 135 E CA 0.068 56.448 56.400 -0.032 0.000 0.894 135 E CB 0.909 30.514 29.700 -0.158 0.000 1.008 135 E HN 0.685 nan 8.360 nan 0.000 0.420 136 F N -1.243 118.441 119.950 -0.444 0.000 2.711 136 F HA 0.527 5.061 4.527 0.011 0.000 0.313 136 F C -1.628 173.763 175.800 -0.681 0.000 1.141 136 F CA -1.302 56.271 58.000 -0.713 0.000 0.941 136 F CB 0.885 39.078 39.000 -1.345 0.000 1.349 136 F HN 0.253 nan 8.300 nan 0.000 0.464 137 Y N 1.554 121.607 120.300 -0.412 0.000 2.352 137 Y HA 0.625 5.183 4.550 0.014 0.000 0.339 137 Y C -0.116 175.436 175.900 -0.579 0.000 0.992 137 Y CA -0.866 56.836 58.100 -0.664 0.000 1.100 137 Y CB 1.948 39.747 38.460 -1.102 0.000 1.192 137 Y HN 0.481 nan 8.280 nan 0.000 0.458 138 I N 5.497 125.823 120.570 -0.405 0.000 2.268 138 I HA 0.153 4.331 4.170 0.013 0.000 0.290 138 I C -0.831 175.217 176.117 -0.116 0.000 1.125 138 I CA -0.159 60.986 61.300 -0.259 0.000 1.236 138 I CB -0.470 37.317 38.000 -0.354 0.000 1.469 138 I HN 0.336 nan 8.210 nan 0.000 0.512 139 F N 3.214 123.238 119.950 0.124 0.000 2.368 139 F HA 0.234 4.769 4.527 0.014 0.000 0.315 139 F C 1.440 177.323 175.800 0.139 0.000 1.145 139 F CA -0.564 57.533 58.000 0.161 0.000 1.095 139 F CB 0.458 39.554 39.000 0.161 0.000 1.286 139 F HN 0.325 nan 8.300 nan 0.000 0.530 140 D N -0.832 119.796 120.400 0.378 0.000 2.338 140 D HA 0.074 4.722 4.640 0.013 0.000 0.208 140 D C 0.139 176.523 176.300 0.141 0.000 0.997 140 D CA 0.853 54.978 54.000 0.207 0.000 0.880 140 D CB 0.329 41.238 40.800 0.181 0.000 0.980 140 D HN 0.369 nan 8.370 nan 0.000 0.509 141 S N -1.066 114.733 115.700 0.166 0.000 2.567 141 S HA 0.591 5.068 4.470 0.013 0.000 0.270 141 S C -1.423 173.236 174.600 0.100 0.000 1.152 141 S CA -0.861 57.403 58.200 0.107 0.000 0.835 141 S CB 2.253 65.494 63.200 0.069 0.000 1.115 141 S HN -0.085 nan 8.310 nan 0.000 0.459 142 V N 1.596 121.574 119.914 0.106 0.000 2.851 142 V HA 0.898 5.026 4.120 0.013 0.000 0.307 142 V C -1.196 174.948 176.094 0.084 0.000 1.129 142 V CA 0.458 62.831 62.300 0.121 0.000 0.932 142 V CB 1.890 33.841 31.823 0.214 0.000 1.024 142 V HN 1.810 nan 8.190 nan 0.000 0.426 143 S N 5.582 121.327 115.700 0.075 0.000 2.579 143 S HA 0.994 5.471 4.470 0.013 0.000 0.272 143 S C -1.073 173.348 174.600 -0.298 0.000 1.141 143 S CA -0.640 57.495 58.200 -0.107 0.000 0.843 143 S CB 2.051 65.302 63.200 0.086 0.000 1.122 143 S HN 1.912 nan 8.310 nan 0.000 0.468 144 F N -1.208 118.390 119.950 -0.586 0.000 2.744 144 F HA 0.841 5.376 4.527 0.013 0.000 0.311 144 F C -1.691 173.746 175.800 -0.606 0.000 1.144 144 F CA -0.855 56.561 58.000 -0.973 0.000 0.938 144 F CB 0.619 39.365 39.000 -0.423 0.000 1.292 144 F HN 0.816 nan 8.300 nan 0.000 0.444 145 D N -0.135 120.092 120.400 -0.288 0.000 2.677 145 D HA 0.656 5.304 4.640 0.013 0.000 0.298 145 D C -1.673 174.680 176.300 0.088 0.000 1.250 145 D CA -0.729 53.298 54.000 0.045 0.000 0.888 145 D CB 1.629 42.502 40.800 0.122 0.000 1.397 145 D HN 0.755 nan 8.370 nan 0.000 0.461 146 S N -0.712 115.043 115.700 0.092 0.000 2.680 146 S HA 0.623 5.101 4.470 0.013 0.000 0.262 146 S C -1.247 173.390 174.600 0.061 0.000 1.138 146 S CA -0.692 57.549 58.200 0.068 0.000 1.072 146 S CB 0.301 63.532 63.200 0.050 0.000 1.097 146 S HN 0.523 nan 8.310 nan 0.000 0.468 147 R N 1.777 122.311 120.500 0.057 0.000 2.950 147 R HA 0.764 5.112 4.340 0.013 0.000 0.253 147 R C 1.369 177.693 176.300 0.041 0.000 1.168 147 R CA -0.402 55.725 56.100 0.045 0.000 1.014 147 R CB 0.521 30.846 30.300 0.042 0.000 1.228 147 R HN 0.562 nan 8.270 nan 0.000 0.487 148 A N 1.091 123.933 122.820 0.038 0.000 1.908 148 A HA -0.194 4.134 4.320 0.013 0.000 0.218 148 A C 1.216 178.830 177.584 0.050 0.000 1.181 148 A CA 2.022 54.085 52.037 0.044 0.000 0.627 148 A CB -0.555 18.467 19.000 0.038 0.000 0.818 148 A HN 0.801 nan 8.150 nan 0.000 0.445 149 N N -1.018 117.701 118.700 0.031 0.000 2.187 149 N HA 0.319 5.067 4.740 0.013 0.000 0.212 149 N C 0.292 175.777 175.510 -0.042 0.000 1.152 149 N CA 0.903 53.964 53.050 0.018 0.000 0.872 149 N CB 0.621 39.117 38.487 0.015 0.000 1.025 149 N HN 0.462 nan 8.380 nan 0.000 0.514 150 G N -1.034 107.743 108.800 -0.037 0.000 2.519 150 G HA2 0.440 4.408 3.960 0.013 0.000 0.292 150 G HA3 0.440 4.408 3.960 0.013 0.000 0.292 150 G C -2.122 172.777 174.900 -0.001 0.000 1.507 150 G CA -0.423 44.633 45.100 -0.073 0.000 0.806 150 G HN 0.151 nan 8.290 nan 0.000 0.523 151 S N -0.872 114.834 115.700 0.009 0.000 2.537 151 S HA 0.845 5.323 4.470 0.013 0.000 0.271 151 S C -1.504 173.193 174.600 0.160 0.000 1.148 151 S CA -0.600 57.652 58.200 0.087 0.000 0.868 151 S CB 1.059 64.282 63.200 0.038 0.000 1.115 151 S HN 1.860 nan 8.310 nan 0.000 0.461 152 F N 2.866 122.823 119.950 0.011 0.000 2.668 152 F HA 0.862 5.397 4.527 0.013 0.000 0.309 152 F C -1.785 174.097 175.800 0.137 0.000 1.117 152 F CA -1.090 56.909 58.000 -0.003 0.000 0.951 152 F CB 0.933 39.894 39.000 -0.066 0.000 1.323 152 F HN 0.687 nan 8.300 nan 0.000 0.451 153 Y N 0.399 120.597 120.300 -0.171 0.000 2.562 153 Y HA 0.805 5.363 4.550 0.013 0.000 0.345 153 Y C -1.745 174.151 175.900 -0.006 0.000 1.045 153 Y CA -1.155 56.787 58.100 -0.263 0.000 1.028 153 Y CB 2.062 40.413 38.460 -0.182 0.000 1.297 153 Y HN 0.981 nan 8.280 nan 0.000 0.463 154 E N 2.727 122.940 120.200 0.022 0.000 2.311 154 E HA 0.558 4.916 4.350 0.013 0.000 0.281 154 E C -1.931 174.654 176.600 -0.026 0.000 0.905 154 E CA -1.021 55.328 56.400 -0.084 0.000 0.778 154 E CB 2.376 32.074 29.700 -0.004 0.000 1.240 154 E HN 0.923 nan 8.360 nan 0.000 0.410 155 V N 0.823 120.627 119.914 -0.183 0.000 2.630 155 V HA 0.789 4.917 4.120 0.013 0.000 0.305 155 V C -0.578 175.291 176.094 -0.375 0.000 1.046 155 V CA -0.509 61.565 62.300 -0.377 0.000 0.934 155 V CB 1.803 33.137 31.823 -0.815 0.000 1.003 155 V HN 0.709 nan 8.190 nan 0.000 0.451 156 D N 1.593 121.878 120.400 -0.192 0.000 2.661 156 D HA 0.863 5.511 4.640 0.013 0.000 0.228 156 D C -0.910 175.572 176.300 0.303 0.000 1.183 156 D CA 0.210 54.318 54.000 0.180 0.000 0.844 156 D CB 2.378 43.293 40.800 0.192 0.000 1.555 156 D HN 1.268 nan 8.370 nan 0.000 0.453 157 A N 2.441 125.530 122.820 0.449 0.000 2.566 157 A HA 0.340 4.667 4.320 0.013 0.000 0.297 157 A C 0.664 178.346 177.584 0.163 0.000 1.059 157 A CA -0.662 51.600 52.037 0.375 0.000 0.691 157 A CB 0.711 20.052 19.000 0.568 0.000 1.282 157 A HN 0.629 nan 8.150 nan 0.000 0.401 158 I N 1.830 122.487 120.570 0.145 0.000 2.194 158 I HA -0.264 3.914 4.170 0.013 0.000 0.246 158 I C 2.129 178.224 176.117 -0.036 0.000 1.093 158 I CA 2.633 63.953 61.300 0.033 0.000 1.355 158 I CB 0.214 38.226 38.000 0.019 0.000 1.046 158 I HN 0.769 nan 8.210 nan 0.000 0.413 159 S N 0.151 115.884 115.700 0.055 0.000 2.603 159 S HA 0.151 4.629 4.470 0.013 0.000 0.220 159 S C 1.164 175.692 174.600 -0.120 0.000 0.967 159 S CA 0.020 58.250 58.200 0.050 0.000 0.920 159 S CB -0.860 62.508 63.200 0.279 0.000 0.773 159 S HN 0.479 nan 8.310 nan 0.000 0.529 160 G N 0.589 109.115 108.800 -0.456 0.000 2.365 160 G HA2 0.120 4.087 3.960 0.013 0.000 0.249 160 G HA3 0.120 4.087 3.960 0.013 0.000 0.249 160 G C 0.364 174.669 174.900 -0.991 0.000 1.288 160 G CA -0.666 43.678 45.100 -1.259 0.000 0.887 160 G HN 0.500 nan 8.290 nan 0.000 0.524 161 W N 2.791 123.607 121.300 -0.806 0.000 2.421 161 W HA -0.112 4.556 4.660 0.013 0.000 0.270 161 W C 1.617 178.017 176.519 -0.198 0.000 1.233 161 W CA 1.003 58.094 57.345 -0.423 0.000 1.226 161 W CB 0.063 29.267 29.460 -0.427 0.000 1.121 161 W HN 0.916 nan 8.180 nan 0.000 0.579 162 W N 0.752 122.100 121.300 0.080 0.000 2.538 162 W HA -0.064 4.604 4.660 0.012 0.000 0.254 162 W C 1.092 177.569 176.519 -0.070 0.000 1.249 162 W CA 0.960 58.327 57.345 0.038 0.000 1.253 162 W CB -1.532 27.992 29.460 0.107 0.000 1.130 162 W HN -0.238 nan 8.180 nan 0.000 0.618 163 N N 0.546 119.043 118.700 -0.339 0.000 2.236 163 N HA -0.050 4.697 4.740 0.013 0.000 0.196 163 N C 1.699 177.037 175.510 -0.287 0.000 1.114 163 N CA 1.402 54.311 53.050 -0.235 0.000 0.859 163 N CB -0.348 37.982 38.487 -0.261 0.000 0.982 163 N HN 0.401 nan 8.380 nan 0.000 0.493 164 T N -2.346 111.927 114.554 -0.468 0.000 2.737 164 T HA -0.130 4.228 4.350 0.013 0.000 0.269 164 T C 1.842 176.356 174.700 -0.309 0.000 1.040 164 T CA 1.524 63.307 62.100 -0.529 0.000 1.142 164 T CB -0.580 67.722 68.868 -0.944 0.000 0.861 164 T HN 0.168 nan 8.240 nan 0.000 0.456 165 G N 0.891 109.555 108.800 -0.226 0.000 2.985 165 G HA2 0.506 4.474 3.960 0.013 0.000 0.209 165 G HA3 0.506 4.474 3.960 0.013 0.000 0.209 165 G C 0.498 175.345 174.900 -0.088 0.000 1.165 165 G CA 0.006 45.026 45.100 -0.132 0.000 0.776 165 G HN 0.879 nan 8.290 nan 0.000 0.541 166 A N 0.135 122.901 122.820 -0.090 0.000 2.477 166 A HA 0.625 4.953 4.320 0.013 0.000 0.246 166 A C 1.667 179.220 177.584 -0.053 0.000 1.078 166 A CA 0.464 52.467 52.037 -0.055 0.000 0.770 166 A CB 0.731 19.703 19.000 -0.047 0.000 1.011 166 A HN 0.615 nan 8.150 nan 0.000 0.494 167 A N 2.217 125.015 122.820 -0.037 0.000 1.929 167 A HA 0.307 4.634 4.320 0.013 0.000 0.216 167 A C 1.377 178.944 177.584 -0.030 0.000 1.176 167 A CA 1.923 53.941 52.037 -0.033 0.000 0.628 167 A CB -0.489 18.496 19.000 -0.025 0.000 0.816 167 A HN 1.558 nan 8.150 nan 0.000 0.444 168 T N -3.784 110.754 114.554 -0.026 0.000 2.865 168 T HA 0.566 4.923 4.350 0.013 0.000 0.294 168 T C -0.702 173.985 174.700 -0.021 0.000 1.119 168 T CA -0.961 61.125 62.100 -0.023 0.000 1.007 168 T CB 1.612 70.469 68.868 -0.018 0.000 1.225 168 T HN 0.080 nan 8.240 nan 0.000 0.515 169 E N 0.050 120.238 120.200 -0.019 0.000 2.405 169 E HA 0.495 4.852 4.350 0.013 0.000 0.253 169 E C 1.657 178.253 176.600 -0.006 0.000 1.257 169 E CA -0.046 56.346 56.400 -0.014 0.000 0.960 169 E CB 0.427 30.118 29.700 -0.016 0.000 1.077 169 E HN 0.843 nan 8.360 nan 0.000 0.512 170 A N 1.102 123.924 122.820 0.003 0.000 1.978 170 A HA -0.201 4.127 4.320 0.013 0.000 0.220 170 A C 1.167 178.749 177.584 -0.004 0.000 1.170 170 A CA 2.143 54.183 52.037 0.006 0.000 0.636 170 A CB -0.438 18.571 19.000 0.016 0.000 0.810 170 A HN 0.554 nan 8.150 nan 0.000 0.448 171 D N -2.571 117.824 120.400 -0.008 0.000 2.342 171 D HA 0.299 4.946 4.640 0.013 0.000 0.221 171 D C 1.091 177.383 176.300 -0.013 0.000 1.101 171 D CA 0.733 54.726 54.000 -0.012 0.000 0.837 171 D CB -0.557 40.234 40.800 -0.014 0.000 0.938 171 D HN 0.750 nan 8.370 nan 0.000 0.508 172 G N 0.602 109.395 108.800 -0.012 0.000 2.179 172 G HA2 -0.309 3.659 3.960 0.013 0.000 0.260 172 G HA3 -0.309 3.659 3.960 0.013 0.000 0.260 172 G C 0.450 175.341 174.900 -0.015 0.000 0.977 172 G CA 0.520 45.612 45.100 -0.013 0.000 0.641 172 G HN 0.805 nan 8.290 nan 0.000 0.533 173 S N 0.368 116.058 115.700 -0.016 0.000 2.614 173 S HA 0.673 5.151 4.470 0.013 0.000 0.265 173 S C -2.042 172.547 174.600 -0.018 0.000 1.303 173 S CA -1.052 57.138 58.200 -0.017 0.000 1.000 173 S CB 1.824 65.013 63.200 -0.018 0.000 0.935 173 S HN 0.159 nan 8.310 nan 0.000 0.551 174 P HA 0.197 nan 4.420 nan 0.000 0.271 174 P C -0.556 176.731 177.300 -0.022 0.000 1.218 174 P CA -0.438 62.651 63.100 -0.019 0.000 0.780 174 P CB 0.268 31.959 31.700 -0.015 0.000 0.901 175 N N 2.366 121.049 118.700 -0.028 0.000 2.431 175 N HA 0.008 4.755 4.740 0.013 0.000 0.265 175 N C 0.469 175.965 175.510 -0.024 0.000 1.184 175 N CA 0.341 53.369 53.050 -0.037 0.000 0.943 175 N CB 0.041 38.494 38.487 -0.056 0.000 1.080 175 N HN 0.248 nan 8.380 nan 0.000 0.477 176 R N 2.519 123.015 120.500 -0.007 0.000 2.393 176 R HA 0.197 4.544 4.340 0.013 0.000 0.244 176 R C 1.096 177.443 176.300 0.078 0.000 0.920 176 R CA 0.193 56.311 56.100 0.031 0.000 1.076 176 R CB 0.005 30.325 30.300 0.033 0.000 1.119 176 R HN 0.831 nan 8.270 nan 0.000 0.524 177 G N 0.964 109.773 108.800 0.015 0.000 2.539 177 G HA2 -0.387 3.581 3.960 0.013 0.000 0.256 177 G HA3 -0.387 3.581 3.960 0.013 0.000 0.256 177 G C -0.186 174.775 174.900 0.102 0.000 1.233 177 G CA 0.071 45.161 45.100 -0.016 0.000 0.936 177 G HN 0.403 nan 8.290 nan 0.000 0.571 178 Y N -0.046 120.251 120.300 -0.005 0.000 3.825 178 Y HA -0.213 4.345 4.550 0.013 0.000 0.221 178 Y C 1.461 177.383 175.900 0.036 0.000 1.195 178 Y CA 1.624 59.737 58.100 0.022 0.000 1.699 178 Y CB -1.469 36.990 38.460 -0.002 0.000 1.531 178 Y HN 0.631 nan 8.280 nan 0.000 0.640 179 K N -0.107 120.364 120.400 0.119 0.000 2.126 179 K HA 0.538 4.865 4.320 0.013 0.000 0.257 179 K C 0.175 176.945 176.600 0.283 0.000 1.007 179 K CA -0.712 55.651 56.287 0.127 0.000 0.928 179 K CB 1.369 33.846 32.500 -0.037 0.000 1.013 179 K HN -0.095 nan 8.250 nan 0.000 0.473 180 V N 3.181 123.223 119.914 0.213 0.000 2.461 180 V HA 0.146 4.273 4.120 0.013 0.000 0.275 180 V C 0.536 176.673 176.094 0.072 0.000 1.047 180 V CA -0.463 61.914 62.300 0.127 0.000 0.955 180 V CB 0.802 32.680 31.823 0.091 0.000 0.988 180 V HN 0.634 nan 8.190 nan 0.000 0.471 181 R N 3.083 123.445 120.500 -0.230 0.000 2.694 181 R HA 0.170 4.518 4.340 0.013 0.000 0.268 181 R C 0.093 176.188 176.300 -0.342 0.000 1.061 181 R CA -0.544 55.133 56.100 -0.706 0.000 1.133 181 R CB 0.233 30.070 30.300 -0.771 0.000 1.020 181 R HN 0.664 nan 8.270 nan 0.000 0.475 182 H N 3.637 122.552 119.070 -0.259 0.000 3.070 182 H HA -0.045 4.518 4.556 0.013 0.000 0.313 182 H C 0.545 175.852 175.328 -0.035 0.000 0.997 182 H CA 0.709 56.742 56.048 -0.025 0.000 1.438 182 H CB 0.492 30.269 29.762 0.025 0.000 1.455 182 H HN 0.561 nan 8.280 nan 0.000 0.575 183 K N 1.265 121.779 120.400 0.191 0.000 3.274 183 K HA -0.167 4.160 4.320 0.013 0.000 0.300 183 K C 0.907 177.533 176.600 0.043 0.000 1.230 183 K CA 0.966 57.325 56.287 0.119 0.000 0.884 183 K CB -1.482 31.068 32.500 0.082 0.000 1.242 183 K HN 0.826 nan 8.250 nan 0.000 0.467 184 G N -0.207 108.600 108.800 0.012 0.000 3.774 184 G HA2 0.342 4.310 3.960 0.013 0.000 0.287 184 G HA3 0.342 4.310 3.960 0.013 0.000 0.287 184 G C 0.920 175.811 174.900 -0.016 0.000 1.030 184 G CA 0.322 45.403 45.100 -0.032 0.000 0.824 184 G HN 0.280 nan 8.290 nan 0.000 0.518 185 G N -0.376 108.449 108.800 0.040 0.000 2.939 185 G HA2 0.107 4.074 3.960 0.013 0.000 0.210 185 G HA3 0.107 4.074 3.960 0.013 0.000 0.210 185 G C 0.057 174.998 174.900 0.067 0.000 1.160 185 G CA -0.195 44.876 45.100 -0.047 0.000 0.770 185 G HN 0.387 nan 8.290 nan 0.000 0.543 186 Y N 1.881 122.172 120.300 -0.015 0.000 2.491 186 Y HA 0.513 5.071 4.550 0.012 0.000 0.334 186 Y C -1.244 174.470 175.900 -0.309 0.000 0.969 186 Y CA -1.868 56.161 58.100 -0.117 0.000 1.241 186 Y CB 0.344 38.671 38.460 -0.222 0.000 1.105 186 Y HN 0.056 nan 8.280 nan 0.000 0.503 187 F N 5.280 125.230 119.950 0.000 0.000 3.050 187 F HA 0.530 5.064 4.527 0.012 0.000 0.382 187 F C -3.096 172.659 175.800 -0.075 0.000 1.246 187 F CA -3.790 54.144 58.000 -0.109 0.000 1.217 187 F CB -0.923 37.920 39.000 -0.262 0.000 1.795 187 F HN 0.234 nan 8.300 nan 0.000 0.622 188 P HA 0.299 nan 4.420 nan 0.000 0.269 188 P C 0.223 177.557 177.300 0.057 0.000 1.215 188 P CA -0.463 62.691 63.100 0.090 0.000 0.780 188 P CB 1.015 32.746 31.700 0.051 0.000 0.898 189 V N -1.052 118.886 119.914 0.041 0.000 3.237 189 V HA 0.487 4.614 4.120 0.013 0.000 0.305 189 V C 0.470 176.570 176.094 0.010 0.000 1.096 189 V CA -0.967 61.340 62.300 0.011 0.000 1.130 189 V CB -0.539 31.283 31.823 -0.001 0.000 1.048 189 V HN 0.721 nan 8.190 nan 0.000 0.484 190 A N 2.915 125.725 122.820 -0.016 0.000 2.466 190 A HA 0.478 4.806 4.320 0.013 0.000 0.238 190 A C -0.827 176.693 177.584 -0.106 0.000 1.074 190 A CA -0.375 51.631 52.037 -0.052 0.000 0.774 190 A CB -0.694 18.269 19.000 -0.062 0.000 1.015 190 A HN 0.946 nan 8.150 nan 0.000 0.498 191 P HA 0.008 nan 4.420 nan 0.000 0.249 191 P C 0.792 178.034 177.300 -0.097 0.000 1.229 191 P CA 0.217 63.159 63.100 -0.263 0.000 0.788 191 P CB 0.126 31.507 31.700 -0.532 0.000 1.072 192 N N 0.691 119.425 118.700 0.056 0.000 2.120 192 N HA -0.119 4.629 4.740 0.013 0.000 0.188 192 N C 0.296 175.849 175.510 0.071 0.000 1.024 192 N CA 0.989 54.134 53.050 0.160 0.000 0.852 192 N CB -0.734 37.857 38.487 0.173 0.000 1.003 192 N HN 0.017 nan 8.380 nan 0.000 0.424 193 D N 0.977 121.405 120.400 0.047 0.000 2.344 193 D HA 0.049 4.697 4.640 0.013 0.000 0.253 193 D C 0.089 176.428 176.300 0.065 0.000 1.255 193 D CA 0.229 54.299 54.000 0.117 0.000 0.894 193 D CB 0.406 41.276 40.800 0.118 0.000 1.067 193 D HN 0.267 nan 8.370 nan 0.000 0.492 194 Q N 2.795 122.602 119.800 0.012 0.000 2.280 194 Q HA 0.009 4.357 4.340 0.013 0.000 0.201 194 Q C -0.064 175.615 176.000 -0.536 0.000 0.890 194 Q CA 0.183 55.788 55.803 -0.330 0.000 0.947 194 Q CB 0.514 28.956 28.738 -0.493 0.000 1.081 194 Q HN 0.622 nan 8.270 nan 0.000 0.502 195 Y N -1.863 118.486 120.300 0.081 0.000 2.682 195 Y HA 0.113 4.671 4.550 0.013 0.000 0.251 195 Y C 1.571 177.489 175.900 0.029 0.000 1.172 195 Y CA -0.339 57.787 58.100 0.044 0.000 1.186 195 Y CB 0.483 38.953 38.460 0.017 0.000 1.216 195 Y HN -0.137 nan 8.280 nan 0.000 0.540 196 V N 0.240 120.221 119.914 0.112 0.000 2.231 196 V HA -0.331 3.796 4.120 0.013 0.000 0.248 196 V C 1.848 177.974 176.094 0.052 0.000 1.054 196 V CA 2.440 64.781 62.300 0.069 0.000 1.015 196 V CB -0.221 31.618 31.823 0.027 0.000 0.638 196 V HN 0.387 nan 8.190 nan 0.000 0.444 197 D N -0.369 120.050 120.400 0.032 0.000 2.117 197 D HA -0.139 4.509 4.640 0.013 0.000 0.197 197 D C 1.978 178.303 176.300 0.042 0.000 0.987 197 D CA 1.197 55.212 54.000 0.025 0.000 0.829 197 D CB -0.280 40.524 40.800 0.007 0.000 0.961 197 D HN 0.337 nan 8.370 nan 0.000 0.460 198 L N 1.202 122.466 121.223 0.068 0.000 2.046 198 L HA -0.091 4.257 4.340 0.013 0.000 0.208 198 L C 2.131 179.050 176.870 0.081 0.000 1.077 198 L CA 1.596 56.487 54.840 0.084 0.000 0.747 198 L CB -0.267 41.871 42.059 0.133 0.000 0.896 198 L HN -0.148 nan 8.230 nan 0.000 0.432 199 R N -0.552 120.004 120.500 0.093 0.000 2.115 199 R HA -0.120 4.228 4.340 0.013 0.000 0.230 199 R C 1.799 178.132 176.300 0.055 0.000 1.111 199 R CA 1.188 57.335 56.100 0.078 0.000 0.976 199 R CB -0.359 29.983 30.300 0.071 0.000 0.870 199 R HN 0.436 nan 8.270 nan 0.000 0.445 200 D N 0.701 121.128 120.400 0.044 0.000 2.117 200 D HA -0.126 4.522 4.640 0.013 0.000 0.197 200 D C 1.646 177.961 176.300 0.024 0.000 0.987 200 D CA 1.269 55.287 54.000 0.030 0.000 0.829 200 D CB 0.035 40.848 40.800 0.021 0.000 0.961 200 D HN 0.162 nan 8.370 nan 0.000 0.460 201 K N -0.138 120.279 120.400 0.028 0.000 2.097 201 K HA -0.056 4.272 4.320 0.013 0.000 0.206 201 K C 2.246 178.856 176.600 0.017 0.000 1.049 201 K CA 0.873 57.174 56.287 0.024 0.000 0.933 201 K CB -0.081 32.441 32.500 0.035 0.000 0.717 201 K HN 0.143 nan 8.250 nan 0.000 0.442 202 M N 0.655 120.266 119.600 0.018 0.000 2.086 202 M HA -0.176 4.311 4.480 0.013 0.000 0.261 202 M C 2.121 178.409 176.300 -0.021 0.000 1.067 202 M CA 1.590 56.884 55.300 -0.011 0.000 1.116 202 M CB -0.379 32.215 32.600 -0.011 0.000 1.348 202 M HN 0.084 nan 8.290 nan 0.000 0.407 203 L N -0.689 120.541 121.223 0.012 0.000 2.012 203 L HA -0.246 4.102 4.340 0.013 0.000 0.210 203 L C 2.547 179.419 176.870 0.004 0.000 1.073 203 L CA 1.521 56.373 54.840 0.020 0.000 0.748 203 L CB -1.206 40.875 42.059 0.038 0.000 0.891 203 L HN 0.329 nan 8.230 nan 0.000 0.431 204 T N -0.551 114.003 114.554 0.001 0.000 2.720 204 T HA -0.163 4.194 4.350 0.013 0.000 0.268 204 T C 1.734 176.419 174.700 -0.025 0.000 1.037 204 T CA 1.552 63.648 62.100 -0.006 0.000 1.144 204 T CB -0.275 68.589 68.868 -0.006 0.000 0.864 204 T HN 0.277 nan 8.240 nan 0.000 0.444 205 N N 1.001 119.673 118.700 -0.046 0.000 2.188 205 N HA 0.051 4.799 4.740 0.013 0.000 0.184 205 N C 1.809 177.273 175.510 -0.077 0.000 1.018 205 N CA 0.747 53.743 53.050 -0.090 0.000 0.858 205 N CB -0.435 37.986 38.487 -0.109 0.000 0.989 205 N HN 0.357 nan 8.380 nan 0.000 0.426 206 L N 0.202 121.371 121.223 -0.089 0.000 2.109 206 L HA -0.003 4.344 4.340 0.013 0.000 0.207 206 L C 2.064 178.986 176.870 0.087 0.000 1.086 206 L CA 0.634 55.397 54.840 -0.129 0.000 0.760 206 L CB -0.253 41.606 42.059 -0.334 0.000 0.910 206 L HN 0.075 nan 8.230 nan 0.000 0.437 207 I N 0.171 120.774 120.570 0.056 0.000 2.226 207 I HA -0.273 3.905 4.170 0.013 0.000 0.245 207 I C 1.750 177.903 176.117 0.061 0.000 1.100 207 I CA 1.097 62.443 61.300 0.078 0.000 1.374 207 I CB -0.313 37.715 38.000 0.046 0.000 1.057 207 I HN 0.328 nan 8.210 nan 0.000 0.413 208 N N -0.210 118.506 118.700 0.027 0.000 2.571 208 N HA -0.080 4.667 4.740 0.013 0.000 0.189 208 N C 1.327 176.848 175.510 0.018 0.000 1.154 208 N CA 0.633 53.687 53.050 0.006 0.000 0.907 208 N CB 0.084 38.554 38.487 -0.027 0.000 0.977 208 N HN 0.085 nan 8.380 nan 0.000 0.449 209 S N -1.030 114.717 115.700 0.078 0.000 2.601 209 S HA 0.366 4.844 4.470 0.013 0.000 0.244 209 S C 1.088 175.758 174.600 0.116 0.000 1.001 209 S CA 0.228 58.498 58.200 0.117 0.000 0.984 209 S CB -0.343 62.975 63.200 0.197 0.000 0.842 209 S HN 0.484 nan 8.310 nan 0.000 0.474 210 G N 0.826 109.666 108.800 0.067 0.000 2.179 210 G HA2 -0.249 3.719 3.960 0.013 0.000 0.260 210 G HA3 -0.249 3.719 3.960 0.013 0.000 0.260 210 G C -0.021 174.837 174.900 -0.071 0.000 0.977 210 G CA -0.086 44.994 45.100 -0.035 0.000 0.641 210 G HN 0.477 nan 8.290 nan 0.000 0.533 211 F N 0.297 120.213 119.950 -0.057 0.000 2.484 211 F HA 0.571 5.106 4.527 0.014 0.000 0.360 211 F C 1.064 176.858 175.800 -0.009 0.000 1.101 211 F CA -0.516 57.453 58.000 -0.053 0.000 1.251 211 F CB 0.689 39.643 39.000 -0.077 0.000 1.132 211 F HN -0.055 nan 8.300 nan 0.000 0.570 212 I N 4.952 125.617 120.570 0.159 0.000 2.301 212 I HA 0.121 4.299 4.170 0.013 0.000 0.292 212 I C -0.390 175.833 176.117 0.178 0.000 1.046 212 I CA 0.038 61.402 61.300 0.107 0.000 1.282 212 I CB 0.149 38.151 38.000 0.002 0.000 1.409 212 I HN 0.230 nan 8.210 nan 0.000 0.484 213 L N 6.680 127.997 121.223 0.157 0.000 2.399 213 L HA 0.382 4.730 4.340 0.013 0.000 0.266 213 L C 1.070 178.008 176.870 0.113 0.000 1.114 213 L CA 0.280 55.222 54.840 0.169 0.000 0.804 213 L CB 1.360 43.503 42.059 0.139 0.000 1.146 213 L HN 0.703 nan 8.230 nan 0.000 0.451 214 E N 1.113 121.383 120.200 0.117 0.000 2.378 214 E HA 0.113 4.470 4.350 0.013 0.000 0.200 214 E C -0.479 176.169 176.600 0.081 0.000 0.882 214 E CA 0.076 56.524 56.400 0.081 0.000 1.061 214 E CB 1.098 30.838 29.700 0.068 0.000 1.049 214 E HN 0.582 nan 8.360 nan 0.000 0.494 215 K N -0.533 119.931 120.400 0.107 0.000 2.607 215 K HA 0.645 4.973 4.320 0.013 0.000 0.287 215 K C -0.961 175.723 176.600 0.141 0.000 0.996 215 K CA -1.086 55.268 56.287 0.111 0.000 0.876 215 K CB 1.804 34.373 32.500 0.114 0.000 1.496 215 K HN 0.068 nan 8.250 nan 0.000 0.415 216 G N 0.815 109.686 108.800 0.119 0.000 2.638 216 G HA2 0.713 4.681 3.960 0.013 0.000 0.302 216 G HA3 0.713 4.681 3.960 0.013 0.000 0.302 216 G C -1.762 173.195 174.900 0.094 0.000 1.365 216 G CA -0.620 44.530 45.100 0.083 0.000 0.987 216 G HN 0.978 nan 8.290 nan 0.000 0.495 217 H N -1.088 117.974 119.070 -0.013 0.000 3.042 217 H HA 0.527 5.090 4.556 0.012 0.000 0.346 217 H C -1.072 174.260 175.328 0.007 0.000 1.294 217 H CA -1.050 54.980 56.048 -0.031 0.000 1.141 217 H CB 1.039 30.773 29.762 -0.047 0.000 1.872 217 H HN 0.499 nan 8.280 nan 0.000 0.541 218 H N 1.364 120.483 119.070 0.080 0.000 2.815 218 H HA 0.129 4.692 4.556 0.013 0.000 0.350 218 H C -0.185 175.244 175.328 0.169 0.000 1.080 218 H CA 0.504 56.578 56.048 0.044 0.000 1.433 218 H CB 0.882 30.718 29.762 0.125 0.000 1.432 218 H HN 0.672 nan 8.280 nan 0.000 0.592 219 E N 2.596 122.881 120.200 0.141 0.000 2.302 219 E HA 0.071 4.428 4.350 0.013 0.000 0.255 219 E C 1.491 178.310 176.600 0.365 0.000 1.099 219 E CA -0.707 55.852 56.400 0.265 0.000 0.929 219 E CB 1.552 31.216 29.700 -0.060 0.000 1.203 219 E HN 0.409 nan 8.360 nan 0.000 0.459 220 V N 0.484 120.561 119.914 0.271 0.000 2.332 220 V HA -0.160 3.968 4.120 0.013 0.000 0.248 220 V C 1.302 177.527 176.094 0.218 0.000 1.055 220 V CA 1.907 64.334 62.300 0.211 0.000 1.038 220 V CB -0.695 31.199 31.823 0.117 0.000 0.651 220 V HN 0.648 nan 8.190 nan 0.000 0.450 221 G N -0.085 108.839 108.800 0.206 0.000 2.441 221 G HA2 0.281 4.248 3.960 0.013 0.000 0.243 221 G HA3 0.281 4.248 3.960 0.013 0.000 0.243 221 G C 0.109 175.268 174.900 0.433 0.000 1.281 221 G CA 0.309 45.623 45.100 0.357 0.000 0.854 221 G HN 0.320 nan 8.290 nan 0.000 0.560 222 S N 0.444 116.416 115.700 0.454 0.000 2.593 222 S HA 0.459 4.937 4.470 0.013 0.000 0.269 222 S C 1.467 176.364 174.600 0.495 0.000 1.334 222 S CA 0.955 59.365 58.200 0.351 0.000 1.015 222 S CB 0.348 63.607 63.200 0.100 0.000 0.912 222 S HN 2.246 nan 8.310 nan 0.000 0.541 223 G N 1.401 110.401 108.800 0.333 0.000 2.198 223 G HA2 0.094 4.062 3.960 0.013 0.000 0.257 223 G HA3 0.094 4.062 3.960 0.013 0.000 0.257 223 G C 1.008 176.184 174.900 0.459 0.000 1.042 223 G CA 0.449 45.813 45.100 0.439 0.000 0.791 223 G HN 2.134 nan 8.290 nan 0.000 0.502 224 G N -1.496 107.434 108.800 0.216 0.000 2.203 224 G HA2 -0.140 3.828 3.960 0.013 0.000 0.231 224 G HA3 -0.140 3.828 3.960 0.013 0.000 0.231 224 G C 0.148 174.629 174.900 -0.698 0.000 1.058 224 G CA 0.898 45.708 45.100 -0.484 0.000 0.781 224 G HN 1.260 nan 8.290 nan 0.000 0.496 225 Q N -0.260 119.164 119.800 -0.626 0.000 2.364 225 Q HA 0.593 4.941 4.340 0.013 0.000 0.267 225 Q C 0.383 175.787 176.000 -0.993 0.000 0.999 225 Q CA 0.750 55.933 55.803 -1.033 0.000 0.886 225 Q CB 0.781 28.924 28.738 -0.991 0.000 1.243 225 Q HN 1.211 nan 8.270 nan 0.000 0.415 226 A N 3.430 125.575 122.820 -1.126 0.000 2.566 226 A HA 0.654 4.982 4.320 0.013 0.000 0.292 226 A C -1.580 175.355 177.584 -1.081 0.000 1.112 226 A CA -0.603 50.779 52.037 -1.092 0.000 0.707 226 A CB 2.116 20.412 19.000 -1.173 0.000 1.302 226 A HN 0.762 nan 8.150 nan 0.000 0.409 227 E N 0.466 120.201 120.200 -0.775 0.000 2.304 227 E HA 0.600 4.958 4.350 0.013 0.000 0.277 227 E C -2.059 174.412 176.600 -0.216 0.000 0.898 227 E CA -0.374 55.751 56.400 -0.458 0.000 0.764 227 E CB 1.575 31.008 29.700 -0.445 0.000 1.216 227 E HN 0.564 nan 8.360 nan 0.000 0.419 228 I N 3.591 124.270 120.570 0.182 0.000 2.447 228 I HA 0.329 4.507 4.170 0.013 0.000 0.287 228 I C -0.861 175.416 176.117 0.267 0.000 1.023 228 I CA -0.688 60.773 61.300 0.267 0.000 1.083 228 I CB 1.912 40.154 38.000 0.404 0.000 1.245 228 I HN 0.438 nan 8.210 nan 0.000 0.434 229 N N 5.924 124.729 118.700 0.176 0.000 2.399 229 N HA 0.606 5.354 4.740 0.013 0.000 0.295 229 N C -1.417 174.179 175.510 0.143 0.000 1.048 229 N CA -0.582 52.503 53.050 0.058 0.000 0.886 229 N CB 1.426 39.942 38.487 0.048 0.000 1.185 229 N HN 0.440 nan 8.380 nan 0.000 0.487 230 Y N -1.363 118.982 120.300 0.076 0.000 2.605 230 Y HA 0.419 4.975 4.550 0.009 0.000 0.343 230 Y C -0.262 175.686 175.900 0.080 0.000 1.036 230 Y CA -1.453 56.718 58.100 0.119 0.000 1.065 230 Y CB 0.775 39.394 38.460 0.263 0.000 1.288 230 Y HN 0.359 nan 8.280 nan 0.000 0.481 231 Q N 2.334 122.248 119.800 0.190 0.000 2.330 231 Q HA 0.212 4.560 4.340 0.013 0.000 0.279 231 Q C -0.519 175.450 176.000 -0.052 0.000 1.024 231 Q CA -0.540 55.236 55.803 -0.046 0.000 0.900 231 Q CB 0.333 28.951 28.738 -0.200 0.000 1.221 231 Q HN 0.632 nan 8.270 nan 0.000 0.396 232 F N 2.278 122.203 119.950 -0.042 0.000 2.586 232 F HA 0.285 4.818 4.527 0.010 0.000 0.344 232 F C -0.006 175.803 175.800 0.015 0.000 1.188 232 F CA -0.440 57.548 58.000 -0.020 0.000 1.359 232 F CB 0.321 39.272 39.000 -0.083 0.000 1.129 232 F HN 0.481 nan 8.300 nan 0.000 0.609 233 N N -0.936 117.974 118.700 0.351 0.000 2.934 233 N HA 0.282 5.030 4.740 0.013 0.000 0.253 233 N C -1.532 174.344 175.510 0.610 0.000 1.466 233 N CA -0.246 53.030 53.050 0.376 0.000 0.858 233 N CB 2.081 40.719 38.487 0.250 0.000 1.459 233 N HN 0.865 nan 8.380 nan 0.000 0.532 234 S N 0.088 116.098 115.700 0.517 0.000 2.584 234 S HA 0.140 4.617 4.470 0.013 0.000 0.270 234 S C 1.829 176.556 174.600 0.213 0.000 1.346 234 S CA -0.484 57.861 58.200 0.242 0.000 1.018 234 S CB 0.554 63.763 63.200 0.016 0.000 0.899 234 S HN 0.601 nan 8.310 nan 0.000 0.542 235 L N 0.947 122.271 121.223 0.169 0.000 1.963 235 L HA -0.183 4.165 4.340 0.013 0.000 0.220 235 L C 2.492 179.423 176.870 0.103 0.000 1.076 235 L CA 1.988 56.870 54.840 0.070 0.000 0.772 235 L CB -0.529 41.549 42.059 0.032 0.000 0.892 235 L HN 0.806 nan 8.230 nan 0.000 0.435 236 L N -0.596 120.669 121.223 0.070 0.000 1.989 236 L HA -0.290 4.058 4.340 0.013 0.000 0.211 236 L C 2.584 179.577 176.870 0.206 0.000 1.071 236 L CA 1.927 56.847 54.840 0.133 0.000 0.749 236 L CB -1.009 41.104 42.059 0.091 0.000 0.890 236 L HN 0.362 nan 8.230 nan 0.000 0.431 237 H N -0.110 119.042 119.070 0.138 0.000 2.353 237 H HA -0.099 4.463 4.556 0.009 0.000 0.298 237 H C 2.189 177.587 175.328 0.118 0.000 1.103 237 H CA 1.470 57.579 56.048 0.101 0.000 1.293 237 H CB -0.897 28.916 29.762 0.086 0.000 1.372 237 H HN 0.531 nan 8.280 nan 0.000 0.501 238 A N 0.747 123.759 122.820 0.319 0.000 1.930 238 A HA -0.004 4.324 4.320 0.013 0.000 0.217 238 A C 2.660 180.472 177.584 0.379 0.000 1.175 238 A CA 1.636 53.892 52.037 0.366 0.000 0.627 238 A CB -0.731 18.495 19.000 0.376 0.000 0.815 238 A HN 0.449 nan 8.150 nan 0.000 0.443 239 A N -0.087 122.865 122.820 0.220 0.000 1.897 239 A HA -0.133 4.194 4.320 0.013 0.000 0.215 239 A C 1.800 179.170 177.584 -0.357 0.000 1.181 239 A CA 1.639 53.496 52.037 -0.300 0.000 0.620 239 A CB -0.501 18.096 19.000 -0.673 0.000 0.821 239 A HN 0.439 nan 8.150 nan 0.000 0.443 240 D N 0.325 120.702 120.400 -0.038 0.000 2.123 240 D HA -0.144 4.504 4.640 0.013 0.000 0.196 240 D C 1.254 177.571 176.300 0.027 0.000 0.992 240 D CA 1.451 55.491 54.000 0.068 0.000 0.833 240 D CB -0.359 40.520 40.800 0.132 0.000 0.954 240 D HN 0.346 nan 8.370 nan 0.000 0.455 241 D N 0.085 120.508 120.400 0.038 0.000 2.123 241 D HA -0.151 4.497 4.640 0.013 0.000 0.196 241 D C 1.972 178.403 176.300 0.218 0.000 0.992 241 D CA 0.635 54.649 54.000 0.024 0.000 0.833 241 D CB -0.239 40.574 40.800 0.022 0.000 0.954 241 D HN 0.136 nan 8.370 nan 0.000 0.455 242 M N 0.688 120.404 119.600 0.193 0.000 2.086 242 M HA -0.143 4.345 4.480 0.013 0.000 0.261 242 M C 1.754 178.114 176.300 0.099 0.000 1.067 242 M CA 1.471 56.884 55.300 0.188 0.000 1.116 242 M CB -0.329 32.307 32.600 0.060 0.000 1.348 242 M HN -0.174 nan 8.290 nan 0.000 0.407 243 Q N -0.231 119.562 119.800 -0.010 0.000 2.084 243 Q HA -0.140 4.208 4.340 0.013 0.000 0.202 243 Q C 2.207 178.243 176.000 0.059 0.000 0.978 243 Q CA 1.552 57.344 55.803 -0.018 0.000 0.844 243 Q CB -1.074 27.655 28.738 -0.016 0.000 0.898 243 Q HN 0.525 nan 8.270 nan 0.000 0.426 244 L N 0.001 121.305 121.223 0.135 0.000 2.056 244 L HA -0.167 4.181 4.340 0.013 0.000 0.207 244 L C 2.294 179.315 176.870 0.252 0.000 1.078 244 L CA 1.646 56.617 54.840 0.219 0.000 0.749 244 L CB -1.001 41.217 42.059 0.265 0.000 0.901 244 L HN 0.183 nan 8.230 nan 0.000 0.433 245 Y N 0.649 121.006 120.300 0.095 0.000 2.081 245 Y HA -0.339 4.219 4.550 0.014 0.000 0.280 245 Y C 2.472 178.309 175.900 -0.104 0.000 1.163 245 Y CA 2.441 60.451 58.100 -0.150 0.000 1.135 245 Y CB -0.236 38.146 38.460 -0.130 0.000 0.970 245 Y HN 0.179 nan 8.280 nan 0.000 0.498 246 K N -1.033 119.309 120.400 -0.096 0.000 2.063 246 K HA -0.274 4.054 4.320 0.013 0.000 0.208 246 K C 2.036 178.527 176.600 -0.181 0.000 1.048 246 K CA 1.922 58.006 56.287 -0.338 0.000 0.928 246 K CB -0.714 31.490 32.500 -0.493 0.000 0.713 246 K HN 0.480 nan 8.250 nan 0.000 0.442 247 Y N 1.589 121.783 120.300 -0.177 0.000 2.165 247 Y HA -0.204 4.353 4.550 0.012 0.000 0.286 247 Y C 1.823 177.662 175.900 -0.101 0.000 1.155 247 Y CA 1.421 59.438 58.100 -0.139 0.000 1.164 247 Y CB -0.126 38.284 38.460 -0.084 0.000 0.978 247 Y HN -0.036 nan 8.280 nan 0.000 0.513 248 I N -0.579 119.953 120.570 -0.064 0.000 2.286 248 I HA -0.283 3.895 4.170 0.013 0.000 0.245 248 I C 2.036 178.043 176.117 -0.182 0.000 1.104 248 I CA 0.642 61.938 61.300 -0.007 0.000 1.397 248 I CB -0.334 37.666 38.000 -0.001 0.000 1.072 248 I HN 0.244 nan 8.210 nan 0.000 0.417 249 I N 1.137 121.472 120.570 -0.390 0.000 2.142 249 I HA -0.266 3.912 4.170 0.013 0.000 0.240 249 I C 2.444 178.324 176.117 -0.395 0.000 1.078 249 I CA 1.708 62.701 61.300 -0.513 0.000 1.343 249 I CB -1.200 36.258 38.000 -0.904 0.000 1.046 249 I HN 0.213 nan 8.210 nan 0.000 0.405 250 K N 0.513 120.721 120.400 -0.320 0.000 2.063 250 K HA -0.161 4.167 4.320 0.013 0.000 0.208 250 K C 1.812 178.240 176.600 -0.287 0.000 1.048 250 K CA 1.342 57.491 56.287 -0.231 0.000 0.928 250 K CB -0.090 32.307 32.500 -0.171 0.000 0.713 250 K HN 0.372 nan 8.250 nan 0.000 0.442 251 N N -0.312 118.047 118.700 -0.567 0.000 2.395 251 N HA -0.036 4.712 4.740 0.013 0.000 0.175 251 N C 1.521 176.618 175.510 -0.689 0.000 1.029 251 N CA 0.923 53.459 53.050 -0.857 0.000 0.897 251 N CB 0.177 37.611 38.487 -1.753 0.000 0.991 251 N HN 0.126 nan 8.380 nan 0.000 0.441 252 T N 1.362 115.697 114.554 -0.365 0.000 2.746 252 T HA -0.062 4.296 4.350 0.013 0.000 0.267 252 T C 2.080 176.764 174.700 -0.027 0.000 1.039 252 T CA 1.298 63.398 62.100 -0.001 0.000 1.142 252 T CB -0.197 68.720 68.868 0.082 0.000 0.866 252 T HN 0.274 nan 8.240 nan 0.000 0.444 253 A N 1.430 124.213 122.820 -0.062 0.000 1.883 253 A HA -0.144 4.184 4.320 0.013 0.000 0.217 253 A C 2.173 179.768 177.584 0.018 0.000 1.186 253 A CA 1.407 53.437 52.037 -0.011 0.000 0.624 253 A CB -1.174 17.813 19.000 -0.022 0.000 0.822 253 A HN 0.709 nan 8.150 nan 0.000 0.444 254 W N 0.707 121.906 121.300 -0.168 0.000 2.335 254 W HA -0.216 4.452 4.660 0.012 0.000 0.311 254 W C 2.128 178.581 176.519 -0.110 0.000 1.213 254 W CA 2.137 59.396 57.345 -0.144 0.000 1.274 254 W CB -0.385 28.947 29.460 -0.212 0.000 1.148 254 W HN 0.522 nan 8.180 nan 0.000 0.498 255 Q N -0.716 119.130 119.800 0.077 0.000 2.364 255 Q HA -0.126 4.222 4.340 0.013 0.000 0.207 255 Q C 0.878 176.875 176.000 -0.005 0.000 0.970 255 Q CA 0.836 56.667 55.803 0.047 0.000 0.888 255 Q CB -0.242 28.548 28.738 0.086 0.000 0.951 255 Q HN 0.301 nan 8.270 nan 0.000 0.469 256 N N -0.758 117.929 118.700 -0.022 0.000 2.328 256 N HA 0.104 4.852 4.740 0.013 0.000 0.247 256 N C 0.220 175.696 175.510 -0.056 0.000 1.165 256 N CA 0.601 53.638 53.050 -0.021 0.000 0.873 256 N CB 1.578 40.074 38.487 0.014 0.000 1.125 256 N HN 0.280 nan 8.380 nan 0.000 0.513 257 G N 1.027 109.745 108.800 -0.137 0.000 2.143 257 G HA2 -0.247 3.721 3.960 0.013 0.000 0.248 257 G HA3 -0.247 3.721 3.960 0.013 0.000 0.248 257 G C 0.187 174.994 174.900 -0.154 0.000 0.991 257 G CA 0.356 45.349 45.100 -0.177 0.000 0.689 257 G HN 0.177 nan 8.290 nan 0.000 0.522 258 K N -0.689 119.635 120.400 -0.128 0.000 2.316 258 K HA 0.845 5.173 4.320 0.013 0.000 0.234 258 K C -0.446 176.130 176.600 -0.041 0.000 1.054 258 K CA -0.288 55.980 56.287 -0.033 0.000 0.879 258 K CB 1.545 34.081 32.500 0.059 0.000 1.252 258 K HN 0.232 nan 8.250 nan 0.000 0.471 259 T N -0.055 114.548 114.554 0.082 0.000 2.991 259 T HA 0.433 4.790 4.350 0.013 0.000 0.303 259 T C -1.443 173.356 174.700 0.166 0.000 1.015 259 T CA -0.551 61.658 62.100 0.182 0.000 1.007 259 T CB 0.897 69.897 68.868 0.221 0.000 1.034 259 T HN 0.133 nan 8.240 nan 0.000 0.446 260 V N 4.214 124.199 119.914 0.119 0.000 2.483 260 V HA 0.741 4.869 4.120 0.013 0.000 0.295 260 V C 0.484 176.607 176.094 0.049 0.000 1.035 260 V CA -0.566 61.734 62.300 -0.000 0.000 0.896 260 V CB 1.900 33.629 31.823 -0.157 0.000 0.986 260 V HN 0.977 nan 8.190 nan 0.000 0.447 261 T N 3.481 118.032 114.554 -0.005 0.000 2.861 261 T HA 0.549 4.907 4.350 0.013 0.000 0.287 261 T C -0.110 174.584 174.700 -0.011 0.000 1.003 261 T CA -0.241 61.910 62.100 0.085 0.000 0.977 261 T CB 0.725 69.700 68.868 0.179 0.000 0.996 261 T HN 0.390 nan 8.240 nan 0.000 0.448 262 F N 3.477 123.496 119.950 0.114 0.000 2.693 262 F HA 0.333 4.867 4.527 0.012 0.000 0.303 262 F C 1.364 177.234 175.800 0.118 0.000 1.097 262 F CA -0.620 57.462 58.000 0.136 0.000 1.330 262 F CB 0.111 39.178 39.000 0.111 0.000 1.067 262 F HN 0.521 nan 8.300 nan 0.000 0.565 263 M N 0.188 119.924 119.600 0.226 0.000 2.250 263 M HA 0.158 4.646 4.480 0.013 0.000 0.337 263 M C -1.985 174.396 176.300 0.135 0.000 1.161 263 M CA -1.197 54.191 55.300 0.146 0.000 1.088 263 M CB 0.204 32.851 32.600 0.078 0.000 1.639 263 M HN -0.224 nan 8.290 nan 0.000 0.447 264 P HA -0.090 nan 4.420 nan 0.000 0.216 264 P C -0.191 177.151 177.300 0.071 0.000 1.150 264 P CA 1.677 64.821 63.100 0.074 0.000 0.837 264 P CB 0.138 31.851 31.700 0.020 0.000 0.786 265 K N -1.277 119.148 120.400 0.041 0.000 2.895 265 K HA 0.213 4.541 4.320 0.013 0.000 0.191 265 K C -2.257 174.336 176.600 -0.012 0.000 1.117 265 K CA -1.476 54.822 56.287 0.020 0.000 0.988 265 K CB 0.453 32.946 32.500 -0.010 0.000 1.181 265 K HN -0.106 nan 8.250 nan 0.000 0.598 266 P HA -0.001 nan 4.420 nan 0.000 0.227 266 P C -0.326 176.950 177.300 -0.039 0.000 1.161 266 P CA 0.380 63.462 63.100 -0.031 0.000 0.788 266 P CB 0.578 32.328 31.700 0.083 0.000 0.822 267 L N -0.154 121.048 121.223 -0.035 0.000 2.341 267 L HA 0.423 4.771 4.340 0.013 0.000 0.278 267 L C -0.232 176.666 176.870 0.045 0.000 1.005 267 L CA -1.332 53.511 54.840 0.006 0.000 0.818 267 L CB 1.566 43.646 42.059 0.036 0.000 1.259 267 L HN -0.182 nan 8.230 nan 0.000 0.418 268 F N 2.654 122.557 119.950 -0.078 0.000 2.424 268 F HA 0.551 5.085 4.527 0.013 0.000 0.356 268 F C 1.003 176.726 175.800 -0.128 0.000 1.110 268 F CA 0.012 57.949 58.000 -0.104 0.000 1.161 268 F CB 0.933 39.897 39.000 -0.059 0.000 1.115 268 F HN 0.687 nan 8.300 nan 0.000 0.507 269 G N 3.446 111.805 108.800 -0.736 0.000 2.141 269 G HA2 -0.201 3.767 3.960 0.013 0.000 0.242 269 G HA3 -0.201 3.767 3.960 0.013 0.000 0.242 269 G C -0.475 174.290 174.900 -0.224 0.000 0.982 269 G CA 0.112 44.861 45.100 -0.586 0.000 0.662 269 G HN 0.778 nan 8.290 nan 0.000 0.527 270 D N -0.666 119.600 120.400 -0.223 0.000 2.559 270 D HA 0.428 5.076 4.640 0.013 0.000 0.250 270 D C -0.053 176.205 176.300 -0.070 0.000 1.135 270 D CA -0.755 53.280 54.000 0.058 0.000 0.955 270 D CB 0.861 41.833 40.800 0.287 0.000 1.442 270 D HN -0.049 nan 8.370 nan 0.000 0.471 271 N N -0.347 118.469 118.700 0.194 0.000 2.356 271 N HA 0.278 5.026 4.740 0.013 0.000 0.252 271 N C 0.378 175.970 175.510 0.137 0.000 1.241 271 N CA 0.464 53.615 53.050 0.168 0.000 0.861 271 N CB 0.575 39.187 38.487 0.209 0.000 1.075 271 N HN 0.374 nan 8.380 nan 0.000 0.461 272 G N 0.082 108.918 108.800 0.060 0.000 2.621 272 G HA2 0.301 4.268 3.960 0.013 0.000 0.271 272 G HA3 0.301 4.268 3.960 0.013 0.000 0.271 272 G C -0.620 174.356 174.900 0.127 0.000 1.236 272 G CA -0.430 44.732 45.100 0.104 0.000 0.958 272 G HN 0.448 nan 8.290 nan 0.000 0.512 273 S N -0.710 115.063 115.700 0.122 0.000 2.474 273 S HA 0.620 5.097 4.470 0.013 0.000 0.321 273 S C 0.548 175.181 174.600 0.055 0.000 1.080 273 S CA -0.341 57.895 58.200 0.060 0.000 1.106 273 S CB 1.260 64.505 63.200 0.076 0.000 0.984 273 S HN 0.929 nan 8.310 nan 0.000 0.464 274 G N 1.524 110.316 108.800 -0.014 0.000 2.511 274 G HA2 0.620 4.588 3.960 0.013 0.000 0.316 274 G HA3 0.620 4.588 3.960 0.013 0.000 0.316 274 G C -0.560 174.295 174.900 -0.075 0.000 1.210 274 G CA -0.670 44.399 45.100 -0.052 0.000 0.969 274 G HN 0.626 nan 8.290 nan 0.000 0.492 275 M N 1.641 121.234 119.600 -0.011 0.000 2.693 275 M HA 0.270 4.758 4.480 0.013 0.000 0.224 275 M C -0.660 175.723 176.300 0.139 0.000 1.149 275 M CA -0.501 54.843 55.300 0.072 0.000 0.622 275 M CB -0.199 32.507 32.600 0.177 0.000 1.443 275 M HN 0.704 nan 8.290 nan 0.000 0.431 276 H N 0.204 119.362 119.070 0.146 0.000 3.001 276 H HA 0.066 4.629 4.556 0.012 0.000 0.334 276 H C -0.437 175.013 175.328 0.203 0.000 1.034 276 H CA -0.198 55.929 56.048 0.132 0.000 1.420 276 H CB 0.496 30.335 29.762 0.129 0.000 1.405 276 H HN 0.501 nan 8.280 nan 0.000 0.593 277 C N 4.690 124.183 119.300 0.321 0.000 2.291 277 C HA 0.154 4.622 4.460 0.013 0.000 0.322 277 C C 0.189 175.278 174.990 0.165 0.000 1.205 277 C CA -0.811 58.376 59.018 0.282 0.000 1.495 277 C CB -0.616 27.328 27.740 0.341 0.000 2.127 277 C HN 0.831 nan 8.230 nan 0.000 0.452 278 H N 2.701 121.797 119.070 0.043 0.000 2.767 278 H HA 0.233 4.798 4.556 0.014 0.000 0.316 278 H C -0.205 175.006 175.328 -0.195 0.000 1.059 278 H CA 0.514 56.535 56.048 -0.044 0.000 1.461 278 H CB 0.941 30.680 29.762 -0.039 0.000 1.475 278 H HN 0.651 nan 8.280 nan 0.000 0.531 279 Q N 1.749 121.436 119.800 -0.188 0.000 2.372 279 Q HA 0.427 4.775 4.340 0.013 0.000 0.273 279 Q C -1.015 174.769 176.000 -0.359 0.000 1.078 279 Q CA -0.897 54.645 55.803 -0.434 0.000 0.806 279 Q CB 2.671 31.056 28.738 -0.589 0.000 1.332 279 Q HN 0.753 nan 8.270 nan 0.000 0.435 280 S N 1.250 116.770 115.700 -0.299 0.000 2.537 280 S HA 0.660 5.137 4.470 0.013 0.000 0.270 280 S C -1.227 173.403 174.600 0.051 0.000 1.142 280 S CA -0.872 57.260 58.200 -0.113 0.000 0.870 280 S CB 0.851 64.116 63.200 0.110 0.000 1.112 280 S HN 0.488 nan 8.310 nan 0.000 0.466 281 L N 1.574 122.817 121.223 0.034 0.000 2.325 281 L HA 0.719 5.066 4.340 0.013 0.000 0.278 281 L C -1.205 175.812 176.870 0.246 0.000 1.023 281 L CA -0.509 54.407 54.840 0.126 0.000 0.811 281 L CB 1.133 43.199 42.059 0.011 0.000 1.249 281 L HN 0.721 nan 8.230 nan 0.000 0.431 282 W N 1.916 123.188 121.300 -0.047 0.000 2.936 282 W HA 0.631 5.293 4.660 0.003 0.000 0.338 282 W C -0.460 176.054 176.519 -0.008 0.000 1.121 282 W CA -0.720 56.630 57.345 0.008 0.000 1.209 282 W CB 1.790 31.306 29.460 0.094 0.000 1.420 282 W HN 0.211 nan 8.180 nan 0.000 0.516 283 K N 1.761 122.275 120.400 0.190 0.000 2.468 283 K HA 0.242 4.570 4.320 0.013 0.000 0.252 283 K C -0.587 176.088 176.600 0.124 0.000 0.932 283 K CA -0.415 55.944 56.287 0.121 0.000 0.794 283 K CB 1.357 33.891 32.500 0.056 0.000 1.241 283 K HN 0.577 nan 8.250 nan 0.000 0.428 284 D N 2.651 123.119 120.400 0.113 0.000 2.811 284 D HA -0.199 4.449 4.640 0.013 0.000 0.231 284 D C 0.519 176.909 176.300 0.150 0.000 1.157 284 D CA 1.758 55.820 54.000 0.104 0.000 0.716 284 D CB -1.203 39.636 40.800 0.066 0.000 1.077 284 D HN 1.090 nan 8.370 nan 0.000 0.428 285 G N -1.313 107.632 108.800 0.242 0.000 2.153 285 G HA2 -0.034 3.934 3.960 0.013 0.000 0.252 285 G HA3 -0.034 3.934 3.960 0.013 0.000 0.252 285 G C 0.267 175.434 174.900 0.445 0.000 0.994 285 G CA 0.710 46.025 45.100 0.358 0.000 0.698 285 G HN 1.253 nan 8.290 nan 0.000 0.521 286 A N 0.181 123.173 122.820 0.286 0.000 2.365 286 A HA 0.920 5.248 4.320 0.013 0.000 0.318 286 A C -2.363 174.963 177.584 -0.431 0.000 1.091 286 A CA -1.564 50.458 52.037 -0.026 0.000 0.763 286 A CB 2.227 21.205 19.000 -0.038 0.000 1.248 286 A HN 0.143 nan 8.150 nan 0.000 0.442 287 P HA 0.257 nan 4.420 nan 0.000 0.275 287 P C -0.084 176.878 177.300 -0.563 0.000 1.227 287 P CA -0.002 62.319 63.100 -1.297 0.000 0.781 287 P CB 0.878 31.873 31.700 -1.175 0.000 0.906 288 L N 1.551 122.508 121.223 -0.444 0.000 2.766 288 L HA 0.198 4.546 4.340 0.013 0.000 0.242 288 L C 1.736 178.513 176.870 -0.155 0.000 1.136 288 L CA 0.169 54.882 54.840 -0.211 0.000 0.933 288 L CB -0.186 41.795 42.059 -0.130 0.000 1.241 288 L HN 0.236 nan 8.230 nan 0.000 0.522 289 M N -0.938 118.558 119.600 -0.173 0.000 2.441 289 M HA 0.130 4.618 4.480 0.013 0.000 0.244 289 M C 0.184 176.451 176.300 -0.054 0.000 1.122 289 M CA 0.373 55.603 55.300 -0.116 0.000 1.041 289 M CB -0.390 32.136 32.600 -0.122 0.000 1.438 289 M HN 0.023 nan 8.290 nan 0.000 0.484 290 Y N 1.585 121.787 120.300 -0.163 0.000 2.323 290 Y HA 0.393 4.954 4.550 0.019 0.000 0.331 290 Y C -0.797 175.041 175.900 -0.103 0.000 1.092 290 Y CA -0.575 57.448 58.100 -0.127 0.000 1.150 290 Y CB 0.761 39.141 38.460 -0.134 0.000 1.200 290 Y HN 0.015 nan 8.280 nan 0.000 0.472 291 D N 5.212 125.161 120.400 -0.752 0.000 2.452 291 D HA 0.048 4.696 4.640 0.013 0.000 0.226 291 D C 0.415 176.292 176.300 -0.706 0.000 1.366 291 D CA -0.283 53.388 54.000 -0.548 0.000 0.986 291 D CB 1.058 41.699 40.800 -0.265 0.000 1.420 291 D HN 0.805 nan 8.370 nan 0.000 0.583 292 E N 1.769 121.582 120.200 -0.645 0.000 2.171 292 E HA -0.198 4.160 4.350 0.013 0.000 0.197 292 E C 1.085 177.558 176.600 -0.213 0.000 0.997 292 E CA 1.866 58.045 56.400 -0.367 0.000 0.810 292 E CB 0.319 29.979 29.700 -0.066 0.000 0.738 292 E HN 0.595 nan 8.360 nan 0.000 0.467 293 T N -2.809 111.643 114.554 -0.170 0.000 3.081 293 T HA 0.215 4.572 4.350 0.013 0.000 0.255 293 T C 0.954 175.603 174.700 -0.086 0.000 1.113 293 T CA 0.262 62.303 62.100 -0.099 0.000 1.082 293 T CB 0.225 69.053 68.868 -0.067 0.000 0.939 293 T HN 0.122 nan 8.240 nan 0.000 0.506 294 G N 0.367 109.093 108.800 -0.124 0.000 2.507 294 G HA2 0.415 4.382 3.960 0.013 0.000 0.271 294 G HA3 0.415 4.382 3.960 0.013 0.000 0.271 294 G C -0.835 174.050 174.900 -0.025 0.000 1.189 294 G CA -0.959 44.102 45.100 -0.065 0.000 0.859 294 G HN 0.442 nan 8.290 nan 0.000 0.542 295 Y N 1.302 121.571 120.300 -0.050 0.000 2.717 295 Y HA 0.238 4.796 4.550 0.014 0.000 0.330 295 Y C 1.086 176.975 175.900 -0.019 0.000 1.217 295 Y CA 0.685 58.768 58.100 -0.028 0.000 1.506 295 Y CB 0.366 38.825 38.460 -0.002 0.000 1.268 295 Y HN 1.379 nan 8.280 nan 0.000 0.561 296 A N 3.979 126.354 122.820 -0.742 0.000 2.826 296 A HA -0.147 4.180 4.320 0.013 0.000 0.274 296 A C 1.527 178.956 177.584 -0.258 0.000 1.443 296 A CA 1.392 53.095 52.037 -0.556 0.000 0.833 296 A CB -2.386 16.239 19.000 -0.625 0.000 1.023 296 A HN 2.612 nan 8.150 nan 0.000 0.600 297 G N -2.617 106.035 108.800 -0.248 0.000 2.249 297 G HA2 -0.170 3.798 3.960 0.013 0.000 0.273 297 G HA3 -0.170 3.798 3.960 0.013 0.000 0.273 297 G C -0.064 174.631 174.900 -0.341 0.000 1.036 297 G CA 0.647 45.547 45.100 -0.332 0.000 0.824 297 G HN 1.511 nan 8.290 nan 0.000 0.504 298 L N 1.185 122.284 121.223 -0.207 0.000 2.307 298 L HA 0.600 4.947 4.340 0.013 0.000 0.284 298 L C 1.231 178.005 176.870 -0.160 0.000 1.023 298 L CA -0.396 54.357 54.840 -0.145 0.000 0.810 298 L CB 1.768 43.798 42.059 -0.048 0.000 1.231 298 L HN 0.383 nan 8.230 nan 0.000 0.423 299 S N 0.216 115.819 115.700 -0.160 0.000 2.608 299 S HA 0.084 4.562 4.470 0.013 0.000 0.261 299 S C 0.617 175.117 174.600 -0.166 0.000 1.314 299 S CA -0.596 57.515 58.200 -0.148 0.000 0.992 299 S CB 0.909 64.037 63.200 -0.119 0.000 0.935 299 S HN 0.620 nan 8.310 nan 0.000 0.564 300 D N 1.161 121.454 120.400 -0.178 0.000 2.182 300 D HA -0.056 4.591 4.640 0.013 0.000 0.201 300 D C 1.903 177.998 176.300 -0.342 0.000 0.986 300 D CA 1.696 55.511 54.000 -0.309 0.000 0.847 300 D CB -0.874 39.816 40.800 -0.184 0.000 0.942 300 D HN 0.687 nan 8.370 nan 0.000 0.467 301 T N 0.410 114.888 114.554 -0.127 0.000 2.737 301 T HA -0.070 4.288 4.350 0.013 0.000 0.265 301 T C 2.033 176.722 174.700 -0.020 0.000 1.038 301 T CA 1.435 63.523 62.100 -0.020 0.000 1.144 301 T CB -0.294 68.574 68.868 -0.001 0.000 0.866 301 T HN 0.198 nan 8.240 nan 0.000 0.434 302 A N 1.673 124.443 122.820 -0.084 0.000 1.883 302 A HA -0.153 4.175 4.320 0.013 0.000 0.217 302 A C 2.293 179.818 177.584 -0.099 0.000 1.186 302 A CA 1.888 53.867 52.037 -0.097 0.000 0.624 302 A CB -0.615 18.311 19.000 -0.122 0.000 0.822 302 A HN 0.397 nan 8.150 nan 0.000 0.444 303 R N -1.287 119.104 120.500 -0.182 0.000 2.096 303 R HA -0.166 4.181 4.340 0.013 0.000 0.235 303 R C 1.955 178.152 176.300 -0.172 0.000 1.127 303 R CA 1.851 57.805 56.100 -0.244 0.000 0.968 303 R CB -0.354 29.780 30.300 -0.276 0.000 0.861 303 R HN 0.814 nan 8.270 nan 0.000 0.440 304 H N -2.242 116.800 119.070 -0.046 0.000 2.470 304 H HA -0.107 4.457 4.556 0.013 0.000 0.289 304 H C 1.510 176.826 175.328 -0.020 0.000 1.033 304 H CA 1.082 57.105 56.048 -0.042 0.000 1.331 304 H CB 0.050 29.797 29.762 -0.025 0.000 1.414 304 H HN 0.255 nan 8.280 nan 0.000 0.545 305 Y N 1.305 121.606 120.300 0.001 0.000 2.145 305 Y HA -0.240 4.319 4.550 0.016 0.000 0.286 305 Y C 2.169 178.005 175.900 -0.107 0.000 1.145 305 Y CA 1.466 59.541 58.100 -0.041 0.000 1.148 305 Y CB -0.181 38.243 38.460 -0.061 0.000 0.981 305 Y HN 0.075 nan 8.280 nan 0.000 0.507 306 I N -0.319 120.286 120.570 0.058 0.000 2.208 306 I HA -0.314 3.864 4.170 0.013 0.000 0.245 306 I C 2.651 178.679 176.117 -0.149 0.000 1.097 306 I CA 1.427 62.653 61.300 -0.123 0.000 1.363 306 I CB -0.994 36.788 38.000 -0.364 0.000 1.051 306 I HN 0.382 nan 8.210 nan 0.000 0.413 307 G N 0.535 109.270 108.800 -0.109 0.000 2.440 307 G HA2 -0.215 3.752 3.960 0.013 0.000 0.218 307 G HA3 -0.215 3.752 3.960 0.013 0.000 0.218 307 G C 1.715 176.565 174.900 -0.083 0.000 1.154 307 G CA 0.907 45.963 45.100 -0.073 0.000 0.767 307 G HN 0.502 nan 8.290 nan 0.000 0.552 308 G N 0.867 109.608 108.800 -0.099 0.000 2.421 308 G HA2 -0.148 3.819 3.960 0.013 0.000 0.216 308 G HA3 -0.148 3.819 3.960 0.013 0.000 0.216 308 G C 1.833 176.690 174.900 -0.071 0.000 1.171 308 G CA 0.794 45.847 45.100 -0.078 0.000 0.775 308 G HN 0.418 nan 8.290 nan 0.000 0.543 309 L N -0.059 121.051 121.223 -0.189 0.000 2.012 309 L HA -0.056 4.292 4.340 0.013 0.000 0.210 309 L C 2.905 179.695 176.870 -0.135 0.000 1.073 309 L CA 0.787 55.464 54.840 -0.272 0.000 0.748 309 L CB -0.373 41.348 42.059 -0.564 0.000 0.891 309 L HN 0.186 nan 8.230 nan 0.000 0.431 310 L N -1.404 119.773 121.223 -0.077 0.000 2.156 310 L HA -0.189 4.159 4.340 0.013 0.000 0.208 310 L C 2.579 179.449 176.870 -0.000 0.000 1.095 310 L CA 0.878 55.726 54.840 0.012 0.000 0.770 310 L CB -0.615 41.468 42.059 0.039 0.000 0.914 310 L HN 0.345 nan 8.230 nan 0.000 0.439 311 H N -0.804 118.168 119.070 -0.164 0.000 2.363 311 H HA -0.101 4.462 4.556 0.013 0.000 0.301 311 H C 2.093 177.219 175.328 -0.336 0.000 1.074 311 H CA 1.500 57.385 56.048 -0.272 0.000 1.354 311 H CB 0.206 29.725 29.762 -0.404 0.000 1.397 311 H HN 0.227 nan 8.280 nan 0.000 0.516 312 H N -0.471 118.449 119.070 -0.250 0.000 2.553 312 H HA 0.273 4.837 4.556 0.013 0.000 0.265 312 H C 2.150 177.404 175.328 -0.122 0.000 0.964 312 H CA 0.623 56.452 56.048 -0.365 0.000 1.156 312 H CB -0.024 29.362 29.762 -0.626 0.000 1.411 312 H HN 0.540 nan 8.280 nan 0.000 0.558 313 A N 2.256 125.114 122.820 0.063 0.000 1.915 313 A HA -0.165 4.163 4.320 0.013 0.000 0.220 313 A C -0.128 177.554 177.584 0.162 0.000 1.198 313 A CA 1.509 53.651 52.037 0.174 0.000 0.647 313 A CB -1.383 17.734 19.000 0.195 0.000 0.825 313 A HN 0.290 nan 8.150 nan 0.000 0.456 314 P HA -0.177 nan 4.420 nan 0.000 0.217 314 P C 1.673 179.046 177.300 0.121 0.000 1.148 314 P CA 2.185 65.333 63.100 0.080 0.000 0.834 314 P CB -0.081 31.625 31.700 0.010 0.000 0.783 315 S N -2.622 113.174 115.700 0.160 0.000 2.514 315 S HA 0.066 4.544 4.470 0.013 0.000 0.223 315 S C 1.677 176.444 174.600 0.278 0.000 1.046 315 S CA -0.138 58.192 58.200 0.216 0.000 0.914 315 S CB -1.262 62.102 63.200 0.275 0.000 0.807 315 S HN -0.025 nan 8.310 nan 0.000 0.497 316 L N 2.412 123.830 121.223 0.325 0.000 2.079 316 L HA 0.151 4.498 4.340 0.013 0.000 0.210 316 L C 2.028 179.116 176.870 0.363 0.000 1.081 316 L CA 1.645 56.711 54.840 0.376 0.000 0.752 316 L CB -0.821 41.455 42.059 0.360 0.000 0.896 316 L HN 0.375 nan 8.230 nan 0.000 0.433 317 L N -0.530 120.887 121.223 0.323 0.000 2.353 317 L HA -0.138 4.210 4.340 0.013 0.000 0.220 317 L C 2.555 179.604 176.870 0.299 0.000 1.133 317 L CA 0.838 55.868 54.840 0.318 0.000 0.798 317 L CB -1.190 41.068 42.059 0.331 0.000 0.922 317 L HN 0.415 nan 8.230 nan 0.000 0.445 318 A N -0.188 122.765 122.820 0.222 0.000 2.076 318 A HA -0.168 4.160 4.320 0.013 0.000 0.220 318 A C 1.891 179.492 177.584 0.028 0.000 1.160 318 A CA 1.539 53.645 52.037 0.113 0.000 0.653 318 A CB -0.431 18.550 19.000 -0.032 0.000 0.801 318 A HN 0.405 nan 8.150 nan 0.000 0.455 319 F N -1.198 118.896 119.950 0.240 0.000 2.653 319 F HA 0.030 4.565 4.527 0.014 0.000 0.288 319 F C 2.671 178.593 175.800 0.203 0.000 1.121 319 F CA 1.056 59.139 58.000 0.138 0.000 1.384 319 F CB 0.135 39.096 39.000 -0.065 0.000 1.115 319 F HN 0.268 nan 8.300 nan 0.000 0.599 320 T N -2.866 111.920 114.554 0.387 0.000 3.035 320 T HA 0.081 4.438 4.350 0.013 0.000 0.259 320 T C 0.467 175.289 174.700 0.203 0.000 1.078 320 T CA 0.574 62.858 62.100 0.307 0.000 1.132 320 T CB -0.358 68.711 68.868 0.334 0.000 0.900 320 T HN -0.019 nan 8.240 nan 0.000 0.480 321 N N 2.359 121.174 118.700 0.191 0.000 2.844 321 N HA 0.347 5.095 4.740 0.013 0.000 0.268 321 N C -2.594 173.013 175.510 0.161 0.000 1.574 321 N CA -1.405 51.682 53.050 0.063 0.000 0.838 321 N CB 1.945 40.353 38.487 -0.131 0.000 1.177 321 N HN 0.268 nan 8.380 nan 0.000 0.495 322 P HA 0.044 nan 4.420 nan 0.000 0.262 322 P C -0.227 177.192 177.300 0.198 0.000 1.304 322 P CA 0.390 63.669 63.100 0.297 0.000 0.859 322 P CB 0.231 32.213 31.700 0.470 0.000 1.310 323 T N -4.630 110.026 114.554 0.170 0.000 2.926 323 T HA 0.372 4.730 4.350 0.013 0.000 0.289 323 T C 1.168 175.985 174.700 0.195 0.000 1.054 323 T CA -0.655 61.520 62.100 0.126 0.000 1.015 323 T CB 1.183 70.096 68.868 0.074 0.000 1.167 323 T HN -0.291 nan 8.240 nan 0.000 0.526 324 V N 1.394 121.384 119.914 0.127 0.000 2.427 324 V HA -0.129 3.999 4.120 0.013 0.000 0.248 324 V C 2.817 179.002 176.094 0.151 0.000 1.051 324 V CA 1.994 64.383 62.300 0.149 0.000 1.048 324 V CB -1.023 30.831 31.823 0.051 0.000 0.666 324 V HN 0.983 nan 8.190 nan 0.000 0.456 325 N N 0.172 118.909 118.700 0.062 0.000 2.309 325 N HA -0.150 4.598 4.740 0.013 0.000 0.182 325 N C 1.897 177.406 175.510 -0.002 0.000 1.018 325 N CA 1.332 54.392 53.050 0.017 0.000 0.876 325 N CB 0.068 38.541 38.487 -0.025 0.000 0.972 325 N HN 0.454 nan 8.380 nan 0.000 0.434 326 S N -0.067 115.605 115.700 -0.047 0.000 2.402 326 S HA -0.158 4.319 4.470 0.013 0.000 0.233 326 S C 1.113 175.469 174.600 -0.408 0.000 1.030 326 S CA 1.187 59.231 58.200 -0.260 0.000 1.003 326 S CB -0.333 62.597 63.200 -0.451 0.000 0.813 326 S HN 0.498 nan 8.310 nan 0.000 0.477 327 Y N 0.569 120.897 120.300 0.046 0.000 2.482 327 Y HA 0.249 4.807 4.550 0.013 0.000 0.270 327 Y C 1.946 177.870 175.900 0.041 0.000 1.152 327 Y CA 0.154 58.282 58.100 0.047 0.000 1.292 327 Y CB 0.036 38.522 38.460 0.043 0.000 1.070 327 Y HN 0.003 nan 8.280 nan 0.000 0.528 328 K N 0.245 120.704 120.400 0.097 0.000 2.296 328 K HA -0.016 4.312 4.320 0.013 0.000 0.200 328 K C 2.085 178.703 176.600 0.030 0.000 1.048 328 K CA 0.524 56.849 56.287 0.063 0.000 0.966 328 K CB 0.035 32.556 32.500 0.035 0.000 0.754 328 K HN 0.158 nan 8.250 nan 0.000 0.466 329 R N 0.291 120.793 120.500 0.003 0.000 2.127 329 R HA 0.094 4.441 4.340 0.013 0.000 0.217 329 R C 0.207 176.531 176.300 0.040 0.000 1.074 329 R CA 0.542 56.641 56.100 -0.002 0.000 0.991 329 R CB 0.065 30.358 30.300 -0.010 0.000 0.895 329 R HN 0.071 nan 8.270 nan 0.000 0.450 330 L N 3.524 124.774 121.223 0.045 0.000 2.511 330 L HA 0.163 4.511 4.340 0.013 0.000 0.239 330 L C -0.459 176.491 176.870 0.132 0.000 1.400 330 L CA -0.526 54.372 54.840 0.098 0.000 1.226 330 L CB 0.179 42.302 42.059 0.107 0.000 1.475 330 L HN 0.056 nan 8.230 nan 0.000 0.428 331 V N -1.641 118.352 119.914 0.131 0.000 2.962 331 V HA 0.716 4.843 4.120 0.013 0.000 0.313 331 V C -2.521 173.630 176.094 0.096 0.000 1.099 331 V CA -2.285 60.096 62.300 0.134 0.000 0.971 331 V CB 1.889 33.801 31.823 0.149 0.000 1.028 331 V HN 0.066 nan 8.190 nan 0.000 0.430 332 P HA 0.418 nan 4.420 nan 0.000 0.271 332 P C 0.718 177.614 177.300 -0.675 0.000 1.218 332 P CA 1.281 64.150 63.100 -0.384 0.000 0.780 332 P CB 1.209 32.807 31.700 -0.169 0.000 0.901 333 G N 1.207 109.148 108.800 -1.431 0.000 2.144 333 G HA2 -0.232 3.736 3.960 0.013 0.000 0.218 333 G HA3 -0.232 3.736 3.960 0.013 0.000 0.218 333 G C -0.137 174.147 174.900 -1.026 0.000 0.988 333 G CA -0.264 44.151 45.100 -1.141 0.000 0.659 333 G HN 0.503 nan 8.290 nan 0.000 0.522 334 Y N 0.094 120.207 120.300 -0.312 0.000 2.721 334 Y HA 0.438 4.995 4.550 0.012 0.000 0.251 334 Y C 1.039 176.956 175.900 0.027 0.000 1.136 334 Y CA -0.256 57.792 58.100 -0.086 0.000 1.142 334 Y CB 0.157 38.585 38.460 -0.053 0.000 1.212 334 Y HN 0.407 nan 8.280 nan 0.000 0.565 335 E N -0.581 119.736 120.200 0.196 0.000 2.722 335 E HA -0.225 4.133 4.350 0.013 0.000 0.265 335 E C 0.166 176.910 176.600 0.241 0.000 1.081 335 E CA 0.526 57.067 56.400 0.235 0.000 0.781 335 E CB -1.240 28.537 29.700 0.129 0.000 1.372 335 E HN 0.411 nan 8.360 nan 0.000 0.423 336 A N 0.487 123.473 122.820 0.277 0.000 2.330 336 A HA 0.711 5.039 4.320 0.013 0.000 0.329 336 A C -2.554 175.188 177.584 0.264 0.000 1.135 336 A CA -1.550 50.624 52.037 0.228 0.000 0.817 336 A CB 1.026 20.138 19.000 0.186 0.000 1.269 336 A HN -0.122 nan 8.150 nan 0.000 0.469 337 P HA 0.360 nan 4.420 nan 0.000 0.275 337 P C 0.270 177.693 177.300 0.204 0.000 1.228 337 P CA -0.091 63.113 63.100 0.173 0.000 0.786 337 P CB 0.492 32.259 31.700 0.111 0.000 0.927 338 I N -1.364 119.336 120.570 0.217 0.000 4.327 338 I HA 0.369 4.547 4.170 0.013 0.000 0.331 338 I C -0.249 175.956 176.117 0.145 0.000 1.348 338 I CA -0.220 61.197 61.300 0.195 0.000 1.152 338 I CB 0.066 38.211 38.000 0.241 0.000 1.151 338 I HN 0.180 nan 8.210 nan 0.000 0.410 339 N N 0.989 119.762 118.700 0.123 0.000 2.732 339 N HA 0.393 5.141 4.740 0.013 0.000 0.259 339 N C -1.178 174.395 175.510 0.106 0.000 1.402 339 N CA -0.933 52.177 53.050 0.100 0.000 0.829 339 N CB 1.083 39.614 38.487 0.072 0.000 1.495 339 N HN 0.096 nan 8.380 nan 0.000 0.511 340 L N 0.710 121.994 121.223 0.101 0.000 2.512 340 L HA 0.469 4.817 4.340 0.013 0.000 0.247 340 L C -0.258 176.680 176.870 0.113 0.000 1.204 340 L CA -0.729 54.183 54.840 0.120 0.000 1.153 340 L CB -0.423 41.699 42.059 0.107 0.000 1.415 340 L HN 0.528 nan 8.230 nan 0.000 0.406 341 V N -1.393 118.592 119.914 0.118 0.000 3.078 341 V HA 0.619 4.747 4.120 0.013 0.000 0.311 341 V C -0.877 175.329 176.094 0.187 0.000 1.138 341 V CA -0.978 61.397 62.300 0.124 0.000 1.007 341 V CB 1.831 33.674 31.823 0.033 0.000 1.045 341 V HN 0.391 nan 8.190 nan 0.000 0.432 342 Y N 0.664 120.979 120.300 0.024 0.000 2.487 342 Y HA 0.912 5.470 4.550 0.013 0.000 0.337 342 Y C -0.176 175.751 175.900 0.045 0.000 1.076 342 Y CA -0.317 57.809 58.100 0.044 0.000 1.115 342 Y CB 2.094 40.590 38.460 0.060 0.000 1.235 342 Y HN 1.095 nan 8.280 nan 0.000 0.468 343 S N 2.419 118.106 115.700 -0.021 0.000 2.560 343 S HA 0.207 4.685 4.470 0.013 0.000 0.283 343 S C -1.652 172.985 174.600 0.062 0.000 1.141 343 S CA -0.999 57.171 58.200 -0.050 0.000 0.902 343 S CB 1.061 64.216 63.200 -0.075 0.000 1.104 343 S HN 1.024 nan 8.310 nan 0.000 0.454 344 Q N 3.383 123.235 119.800 0.086 0.000 2.364 344 Q HA 0.485 4.833 4.340 0.013 0.000 0.267 344 Q C 0.554 176.546 176.000 -0.014 0.000 0.999 344 Q CA -0.274 55.527 55.803 -0.004 0.000 0.886 344 Q CB 0.367 29.022 28.738 -0.138 0.000 1.243 344 Q HN 0.841 nan 8.270 nan 0.000 0.415 345 R N 0.420 120.909 120.500 -0.018 0.000 3.977 345 R HA -0.208 4.140 4.340 0.013 0.000 0.428 345 R C -0.879 175.402 176.300 -0.030 0.000 1.079 345 R CA 1.047 57.134 56.100 -0.021 0.000 1.269 345 R CB -1.021 29.264 30.300 -0.025 0.000 1.856 345 R HN 0.882 nan 8.270 nan 0.000 0.551 346 N N 0.693 119.373 118.700 -0.034 0.000 2.546 346 N HA 0.177 4.925 4.740 0.013 0.000 0.238 346 N C 0.320 175.789 175.510 -0.068 0.000 0.984 346 N CA -0.266 52.750 53.050 -0.056 0.000 0.935 346 N CB 0.734 39.185 38.487 -0.060 0.000 1.122 346 N HN 0.195 nan 8.380 nan 0.000 0.510 347 R N 0.575 121.032 120.500 -0.072 0.000 2.313 347 R HA 0.016 4.364 4.340 0.013 0.000 0.199 347 R C 1.280 177.546 176.300 -0.055 0.000 0.958 347 R CA 0.457 56.518 56.100 -0.066 0.000 1.047 347 R CB 0.206 30.476 30.300 -0.050 0.000 0.955 347 R HN 0.525 nan 8.270 nan 0.000 0.481 348 S N -0.907 114.705 115.700 -0.146 0.000 2.548 348 S HA 0.219 4.697 4.470 0.013 0.000 0.215 348 S C 0.813 175.289 174.600 -0.207 0.000 0.976 348 S CA -0.299 57.706 58.200 -0.325 0.000 0.908 348 S CB 0.504 63.235 63.200 -0.782 0.000 0.781 348 S HN 0.197 nan 8.310 nan 0.000 0.519 349 A N 0.235 122.993 122.820 -0.104 0.000 2.271 349 A HA 0.586 4.913 4.320 0.013 0.000 0.288 349 A C 1.449 179.052 177.584 0.030 0.000 1.094 349 A CA -0.277 51.740 52.037 -0.033 0.000 0.828 349 A CB 0.341 19.333 19.000 -0.014 0.000 1.091 349 A HN 0.425 nan 8.150 nan 0.000 0.493 350 C N 0.058 119.414 119.300 0.092 0.000 2.466 350 C HA 0.234 4.702 4.460 0.013 0.000 0.278 350 C C 0.700 175.825 174.990 0.225 0.000 1.288 350 C CA 0.946 60.059 59.018 0.159 0.000 1.722 350 C CB -0.719 27.155 27.740 0.223 0.000 2.017 350 C HN 0.511 nan 8.230 nan 0.000 0.488 351 V N 2.291 122.341 119.914 0.226 0.000 2.483 351 V HA 0.413 4.541 4.120 0.013 0.000 0.297 351 V C -0.233 175.957 176.094 0.161 0.000 1.027 351 V CA -0.426 62.011 62.300 0.229 0.000 0.855 351 V CB 1.304 33.273 31.823 0.244 0.000 0.995 351 V HN 0.416 nan 8.190 nan 0.000 0.424 352 R N 5.367 125.907 120.500 0.066 0.000 2.460 352 R HA 0.614 4.962 4.340 0.013 0.000 0.303 352 R C -1.230 175.087 176.300 0.028 0.000 0.968 352 R CA -0.752 55.366 56.100 0.031 0.000 0.889 352 R CB 1.327 31.601 30.300 -0.044 0.000 1.123 352 R HN 0.547 nan 8.270 nan 0.000 0.455 353 I N 6.345 126.949 120.570 0.057 0.000 2.306 353 I HA 0.306 4.484 4.170 0.013 0.000 0.288 353 I C -2.044 174.077 176.117 0.007 0.000 1.036 353 I CA -3.120 58.199 61.300 0.032 0.000 1.221 353 I CB 0.764 38.791 38.000 0.045 0.000 1.385 353 I HN 0.526 nan 8.210 nan 0.000 0.472 354 P HA 0.127 nan 4.420 nan 0.000 0.269 354 P C -0.348 176.968 177.300 0.027 0.000 1.215 354 P CA -0.281 62.846 63.100 0.046 0.000 0.780 354 P CB 1.064 32.835 31.700 0.118 0.000 0.898 355 I N 3.074 123.657 120.570 0.022 0.000 2.363 355 I HA 0.080 4.258 4.170 0.013 0.000 0.292 355 I C 1.494 177.625 176.117 0.024 0.000 1.075 355 I CA 0.464 61.769 61.300 0.009 0.000 1.333 355 I CB -0.470 37.530 38.000 0.001 0.000 1.415 355 I HN 0.464 nan 8.210 nan 0.000 0.502 356 T N 1.099 115.668 114.554 0.025 0.000 3.058 356 T HA 0.454 4.812 4.350 0.013 0.000 0.278 356 T C 0.912 175.626 174.700 0.024 0.000 0.974 356 T CA 0.139 62.257 62.100 0.029 0.000 0.893 356 T CB 0.552 69.442 68.868 0.036 0.000 1.138 356 T HN 0.884 nan 8.240 nan 0.000 0.529 357 G N 2.379 111.197 108.800 0.030 0.000 2.512 357 G HA2 -0.309 3.659 3.960 0.013 0.000 0.254 357 G HA3 -0.309 3.659 3.960 0.013 0.000 0.254 357 G C 0.959 175.897 174.900 0.063 0.000 1.199 357 G CA 0.812 45.931 45.100 0.033 0.000 0.941 357 G HN 1.284 nan 8.290 nan 0.000 0.569 358 S N -0.183 115.520 115.700 0.005 0.000 2.524 358 S HA 0.237 4.714 4.470 0.013 0.000 0.215 358 S C 0.748 175.132 174.600 -0.359 0.000 0.986 358 S CA 1.000 59.165 58.200 -0.058 0.000 0.911 358 S CB 0.202 63.396 63.200 -0.010 0.000 0.805 358 S HN 1.030 nan 8.310 nan 0.000 0.501 359 N N 3.791 122.349 118.700 -0.236 0.000 2.406 359 N HA 0.252 5.000 4.740 0.013 0.000 0.265 359 N C -1.980 173.312 175.510 -0.364 0.000 1.203 359 N CA -1.936 50.960 53.050 -0.257 0.000 0.945 359 N CB 1.061 39.483 38.487 -0.109 0.000 1.165 359 N HN 0.040 nan 8.380 nan 0.000 0.485 360 P HA -0.098 nan 4.420 nan 0.000 0.222 360 P C 0.541 177.693 177.300 -0.246 0.000 1.147 360 P CA 1.275 64.068 63.100 -0.511 0.000 0.790 360 P CB 0.284 31.697 31.700 -0.478 0.000 0.780 361 K N -0.590 119.718 120.400 -0.154 0.000 2.288 361 K HA 0.055 4.383 4.320 0.013 0.000 0.201 361 K C 1.808 178.478 176.600 0.116 0.000 1.048 361 K CA 1.142 57.456 56.287 0.045 0.000 0.956 361 K CB -0.241 32.377 32.500 0.196 0.000 0.746 361 K HN 0.071 nan 8.250 nan 0.000 0.461 362 A N 1.032 123.865 122.820 0.021 0.000 2.308 362 A HA 0.042 4.370 4.320 0.013 0.000 0.217 362 A C 0.499 178.093 177.584 0.017 0.000 1.216 362 A CA -0.064 51.988 52.037 0.025 0.000 0.864 362 A CB 0.148 19.161 19.000 0.022 0.000 0.902 362 A HN -0.057 nan 8.150 nan 0.000 0.499 363 K N 2.281 122.690 120.400 0.014 0.000 2.312 363 K HA 0.315 4.643 4.320 0.013 0.000 0.287 363 K C 0.205 176.804 176.600 -0.002 0.000 1.062 363 K CA -0.068 56.244 56.287 0.041 0.000 0.934 363 K CB 0.186 32.769 32.500 0.139 0.000 1.027 363 K HN 0.547 nan 8.250 nan 0.000 0.478 364 R N 3.210 123.705 120.500 -0.007 0.000 2.728 364 R HA 0.360 4.708 4.340 0.013 0.000 0.274 364 R C -1.644 174.628 176.300 -0.047 0.000 1.030 364 R CA -0.910 55.162 56.100 -0.047 0.000 0.876 364 R CB -0.201 30.072 30.300 -0.046 0.000 1.259 364 R HN 0.438 nan 8.270 nan 0.000 0.468 365 L N -1.456 119.709 121.223 -0.096 0.000 2.344 365 L HA 0.663 5.010 4.340 0.013 0.000 0.272 365 L C -0.099 176.690 176.870 -0.135 0.000 1.035 365 L CA -0.435 54.356 54.840 -0.082 0.000 0.807 365 L CB 1.420 43.432 42.059 -0.078 0.000 1.237 365 L HN 0.768 nan 8.230 nan 0.000 0.442 366 E N 2.238 122.340 120.200 -0.163 0.000 2.149 366 E HA 0.236 4.594 4.350 0.013 0.000 0.255 366 E C -1.618 174.989 176.600 0.013 0.000 0.888 366 E CA -0.763 55.464 56.400 -0.288 0.000 0.742 366 E CB 0.800 30.131 29.700 -0.614 0.000 1.164 366 E HN 0.617 nan 8.360 nan 0.000 0.422 367 F N 4.733 124.650 119.950 -0.055 0.000 2.466 367 F HA 0.213 4.747 4.527 0.012 0.000 0.363 367 F C 0.833 176.682 175.800 0.081 0.000 1.109 367 F CA -0.373 57.657 58.000 0.050 0.000 1.161 367 F CB 0.436 39.512 39.000 0.126 0.000 1.117 367 F HN 0.553 nan 8.300 nan 0.000 0.539 368 R N 2.053 122.528 120.500 -0.041 0.000 2.280 368 R HA -0.029 4.319 4.340 0.013 0.000 0.195 368 R C 2.306 178.558 176.300 -0.079 0.000 0.935 368 R CA 0.729 56.769 56.100 -0.100 0.000 1.033 368 R CB 0.089 30.261 30.300 -0.214 0.000 0.964 368 R HN 0.630 nan 8.270 nan 0.000 0.489 369 S N 1.222 116.671 115.700 -0.418 0.000 2.368 369 S HA 0.012 4.490 4.470 0.013 0.000 0.224 369 S C -1.596 172.857 174.600 -0.245 0.000 1.029 369 S CA 0.389 58.376 58.200 -0.356 0.000 0.988 369 S CB -0.558 62.353 63.200 -0.481 0.000 0.838 369 S HN 0.062 nan 8.310 nan 0.000 0.462 370 P HA 0.230 nan 4.420 nan 0.000 0.270 370 P C -0.898 176.426 177.300 0.040 0.000 1.223 370 P CA -0.028 63.046 63.100 -0.044 0.000 0.785 370 P CB 0.425 32.174 31.700 0.081 0.000 0.923 371 D N -2.111 118.331 120.400 0.070 0.000 2.566 371 D HA 0.346 4.994 4.640 0.013 0.000 0.254 371 D C -0.444 175.933 176.300 0.128 0.000 1.090 371 D CA -0.784 53.269 54.000 0.089 0.000 1.034 371 D CB 0.332 41.165 40.800 0.055 0.000 1.434 371 D HN 0.132 nan 8.370 nan 0.000 0.509 372 S N -1.370 114.424 115.700 0.157 0.000 2.552 372 S HA 0.150 4.628 4.470 0.013 0.000 0.246 372 S C 0.854 175.529 174.600 0.126 0.000 1.019 372 S CA -0.140 58.146 58.200 0.143 0.000 1.045 372 S CB -0.816 62.485 63.200 0.169 0.000 0.784 372 S HN 0.514 nan 8.310 nan 0.000 0.453 373 S N -0.175 115.602 115.700 0.129 0.000 2.631 373 S HA 0.468 4.946 4.470 0.013 0.000 0.217 373 S C 0.934 175.612 174.600 0.129 0.000 0.958 373 S CA 0.082 58.355 58.200 0.120 0.000 0.920 373 S CB 0.150 63.410 63.200 0.101 0.000 0.776 373 S HN 0.623 nan 8.310 nan 0.000 0.517 374 G N 1.176 110.064 108.800 0.147 0.000 3.366 374 G HA2 0.382 4.350 3.960 0.013 0.000 0.179 374 G HA3 0.382 4.350 3.960 0.013 0.000 0.179 374 G C -1.236 173.762 174.900 0.164 0.000 1.143 374 G CA -0.545 44.684 45.100 0.214 0.000 0.810 374 G HN 0.295 nan 8.290 nan 0.000 0.697 375 N N 1.308 120.128 118.700 0.201 0.000 2.483 375 N HA 0.364 5.112 4.740 0.013 0.000 0.267 375 N C -1.741 173.724 175.510 -0.074 0.000 0.998 375 N CA -1.935 51.179 53.050 0.108 0.000 0.918 375 N CB 2.790 41.406 38.487 0.216 0.000 1.215 375 N HN -0.017 nan 8.380 nan 0.000 0.500 376 P HA -0.094 nan 4.420 nan 0.000 0.219 376 P C 0.821 177.590 177.300 -0.885 0.000 1.150 376 P CA 1.112 63.729 63.100 -0.805 0.000 0.814 376 P CB 0.240 31.347 31.700 -0.989 0.000 0.787 377 Y N 0.369 120.440 120.300 -0.382 0.000 2.145 377 Y HA -0.139 4.419 4.550 0.012 0.000 0.286 377 Y C 2.761 178.524 175.900 -0.228 0.000 1.145 377 Y CA 1.103 59.045 58.100 -0.264 0.000 1.148 377 Y CB -1.600 36.761 38.460 -0.165 0.000 0.981 377 Y HN -0.202 nan 8.280 nan 0.000 0.507 378 L N -0.859 120.333 121.223 -0.051 0.000 2.056 378 L HA -0.166 4.181 4.340 0.013 0.000 0.207 378 L C 2.704 179.553 176.870 -0.034 0.000 1.078 378 L CA 0.958 55.709 54.840 -0.148 0.000 0.749 378 L CB -0.982 40.937 42.059 -0.233 0.000 0.901 378 L HN 0.242 nan 8.230 nan 0.000 0.433 379 A N 0.486 123.316 122.820 0.017 0.000 1.858 379 A HA -0.209 4.118 4.320 0.013 0.000 0.216 379 A C 2.066 179.846 177.584 0.327 0.000 1.190 379 A CA 1.534 53.680 52.037 0.181 0.000 0.617 379 A CB -0.781 18.318 19.000 0.165 0.000 0.827 379 A HN 0.264 nan 8.150 nan 0.000 0.443 380 F N 1.042 120.993 119.950 0.002 0.000 2.126 380 F HA -0.132 4.403 4.527 0.014 0.000 0.299 380 F C 2.888 178.671 175.800 -0.028 0.000 1.096 380 F CA 1.000 58.893 58.000 -0.179 0.000 1.255 380 F CB -1.388 37.166 39.000 -0.744 0.000 0.997 380 F HN 0.168 nan 8.300 nan 0.000 0.479 381 S N 0.234 116.039 115.700 0.176 0.000 2.359 381 S HA -0.171 4.307 4.470 0.013 0.000 0.224 381 S C 2.397 177.155 174.600 0.263 0.000 1.035 381 S CA 1.179 59.489 58.200 0.183 0.000 1.018 381 S CB -0.760 62.468 63.200 0.047 0.000 0.876 381 S HN 0.359 nan 8.310 nan 0.000 0.448 382 A N 1.542 124.491 122.820 0.215 0.000 1.902 382 A HA -0.093 4.235 4.320 0.013 0.000 0.217 382 A C 2.162 179.846 177.584 0.167 0.000 1.181 382 A CA 1.592 53.639 52.037 0.017 0.000 0.623 382 A CB -0.668 18.259 19.000 -0.121 0.000 0.818 382 A HN 0.482 nan 8.150 nan 0.000 0.443 383 M N -1.337 118.447 119.600 0.306 0.000 2.108 383 M HA -0.147 4.340 4.480 0.013 0.000 0.261 383 M C 2.214 178.653 176.300 0.232 0.000 1.066 383 M CA 1.631 57.124 55.300 0.322 0.000 1.107 383 M CB -0.457 32.471 32.600 0.547 0.000 1.356 383 M HN 0.474 nan 8.290 nan 0.000 0.406 384 L N 0.449 121.894 121.223 0.370 0.000 2.017 384 L HA -0.174 4.174 4.340 0.013 0.000 0.208 384 L C 2.321 179.279 176.870 0.146 0.000 1.073 384 L CA 1.802 56.844 54.840 0.337 0.000 0.745 384 L CB -0.438 41.884 42.059 0.438 0.000 0.894 384 L HN 0.243 nan 8.230 nan 0.000 0.432 385 M N -0.545 119.138 119.600 0.137 0.000 2.202 385 M HA -0.130 4.358 4.480 0.013 0.000 0.262 385 M C 2.377 178.740 176.300 0.104 0.000 1.063 385 M CA 1.660 57.010 55.300 0.083 0.000 1.097 385 M CB -1.843 30.731 32.600 -0.044 0.000 1.382 385 M HN 0.461 nan 8.290 nan 0.000 0.413 386 A N 0.149 123.017 122.820 0.080 0.000 1.873 386 A HA 0.062 4.389 4.320 0.013 0.000 0.215 386 A C 2.464 179.950 177.584 -0.162 0.000 1.186 386 A CA 1.809 53.838 52.037 -0.013 0.000 0.616 386 A CB -1.349 17.653 19.000 0.003 0.000 0.823 386 A HN 0.492 nan 8.150 nan 0.000 0.442 387 G N -0.422 108.073 108.800 -0.509 0.000 2.422 387 G HA2 -0.070 3.898 3.960 0.013 0.000 0.218 387 G HA3 -0.070 3.898 3.960 0.013 0.000 0.218 387 G C 1.515 176.167 174.900 -0.414 0.000 1.140 387 G CA 0.881 45.356 45.100 -1.041 0.000 0.775 387 G HN 0.411 nan 8.290 nan 0.000 0.545 388 L N 0.120 121.258 121.223 -0.143 0.000 2.109 388 L HA -0.002 4.346 4.340 0.013 0.000 0.207 388 L C 2.458 179.373 176.870 0.075 0.000 1.086 388 L CA 1.233 56.112 54.840 0.065 0.000 0.760 388 L CB -0.306 41.871 42.059 0.197 0.000 0.910 388 L HN 0.169 nan 8.230 nan 0.000 0.437 389 D N 0.165 120.610 120.400 0.075 0.000 2.144 389 D HA -0.146 4.502 4.640 0.013 0.000 0.199 389 D C 2.140 178.460 176.300 0.034 0.000 0.984 389 D CA 1.351 55.410 54.000 0.098 0.000 0.834 389 D CB 0.012 40.920 40.800 0.179 0.000 0.955 389 D HN 0.209 nan 8.370 nan 0.000 0.465 390 G N 0.343 109.139 108.800 -0.008 0.000 2.446 390 G HA2 -0.239 3.728 3.960 0.013 0.000 0.217 390 G HA3 -0.239 3.728 3.960 0.013 0.000 0.217 390 G C 1.759 176.635 174.900 -0.040 0.000 1.168 390 G CA 0.839 45.907 45.100 -0.054 0.000 0.771 390 G HN 0.351 nan 8.290 nan 0.000 0.551 391 I N 0.270 120.857 120.570 0.028 0.000 2.179 391 I HA -0.125 4.053 4.170 0.013 0.000 0.242 391 I C 2.702 178.812 176.117 -0.012 0.000 1.088 391 I CA 1.468 62.807 61.300 0.066 0.000 1.357 391 I CB -0.153 37.918 38.000 0.119 0.000 1.051 391 I HN 0.113 nan 8.210 nan 0.000 0.409 392 K N 0.645 121.045 120.400 0.001 0.000 2.097 392 K HA -0.126 4.201 4.320 0.013 0.000 0.206 392 K C 1.372 177.941 176.600 -0.052 0.000 1.049 392 K CA 1.320 57.604 56.287 -0.006 0.000 0.933 392 K CB 0.100 32.621 32.500 0.036 0.000 0.717 392 K HN 0.273 nan 8.250 nan 0.000 0.442 393 N N 0.687 119.333 118.700 -0.089 0.000 2.203 393 N HA 0.026 4.774 4.740 0.013 0.000 0.207 393 N C -0.911 174.458 175.510 -0.236 0.000 1.130 393 N CA 0.176 53.147 53.050 -0.132 0.000 0.861 393 N CB 0.762 39.178 38.487 -0.118 0.000 1.005 393 N HN 0.084 nan 8.380 nan 0.000 0.507 394 K N 1.080 121.266 120.400 -0.355 0.000 3.311 394 K HA -0.175 4.153 4.320 0.013 0.000 0.270 394 K C -0.420 175.799 176.600 -0.635 0.000 0.927 394 K CA 0.508 56.306 56.287 -0.817 0.000 0.706 394 K CB -1.655 30.460 32.500 -0.640 0.000 1.418 394 K HN 0.356 nan 8.250 nan 0.000 0.459 395 I N 2.044 122.385 120.570 -0.381 0.000 2.505 395 I HA -0.016 4.161 4.170 0.013 0.000 0.287 395 I C 1.020 177.105 176.117 -0.054 0.000 1.104 395 I CA 0.154 61.317 61.300 -0.227 0.000 1.387 395 I CB 0.374 38.216 38.000 -0.263 0.000 1.404 395 I HN 0.052 nan 8.210 nan 0.000 0.528 396 E N 8.763 128.947 120.200 -0.028 0.000 2.194 396 E HA 0.279 4.637 4.350 0.013 0.000 0.284 396 E C -2.047 174.565 176.600 0.019 0.000 1.035 396 E CA -1.691 54.746 56.400 0.061 0.000 0.836 396 E CB 0.710 30.440 29.700 0.050 0.000 1.070 396 E HN 0.368 nan 8.360 nan 0.000 0.401 397 P HA 0.008 nan 4.420 nan 0.000 0.274 397 P C -0.186 177.171 177.300 0.094 0.000 1.231 397 P CA -0.298 62.826 63.100 0.039 0.000 0.790 397 P CB 0.663 32.344 31.700 -0.032 0.000 0.951 398 Q N 1.392 121.246 119.800 0.090 0.000 2.454 398 Q HA 0.386 4.734 4.340 0.013 0.000 0.247 398 Q C -0.138 175.899 176.000 0.062 0.000 1.028 398 Q CA -0.788 55.050 55.803 0.059 0.000 0.910 398 Q CB 0.175 28.933 28.738 0.034 0.000 1.276 398 Q HN 0.504 nan 8.270 nan 0.000 0.489 399 A N 3.169 125.976 122.820 -0.021 0.000 2.565 399 A HA 0.189 4.516 4.320 0.013 0.000 0.237 399 A C -1.888 175.553 177.584 -0.239 0.000 1.053 399 A CA -0.880 51.083 52.037 -0.123 0.000 0.755 399 A CB -0.698 18.225 19.000 -0.129 0.000 0.980 399 A HN 0.717 nan 8.150 nan 0.000 0.506 400 P HA 0.193 nan 4.420 nan 0.000 0.268 400 P C -0.765 176.304 177.300 -0.385 0.000 1.204 400 P CA 0.074 62.758 63.100 -0.693 0.000 0.768 400 P CB 0.637 31.592 31.700 -1.241 0.000 0.842 401 V N 3.751 123.509 119.914 -0.260 0.000 2.293 401 V HA 0.117 4.245 4.120 0.013 0.000 0.275 401 V C 0.235 176.252 176.094 -0.128 0.000 1.021 401 V CA -0.281 61.923 62.300 -0.160 0.000 0.815 401 V CB 0.809 32.565 31.823 -0.112 0.000 1.025 401 V HN 0.406 nan 8.190 nan 0.000 0.448 402 D N 4.968 125.308 120.400 -0.101 0.000 2.845 402 D HA 0.295 4.942 4.640 0.013 0.000 0.235 402 D C 0.227 176.490 176.300 -0.061 0.000 1.158 402 D CA 0.286 54.250 54.000 -0.059 0.000 0.990 402 D CB 0.301 41.092 40.800 -0.015 0.000 1.094 402 D HN 0.538 nan 8.370 nan 0.000 0.486 403 K N -0.088 120.265 120.400 -0.079 0.000 2.480 403 K HA 0.211 4.539 4.320 0.013 0.000 0.258 403 K C -0.751 175.782 176.600 -0.112 0.000 0.990 403 K CA -0.983 55.256 56.287 -0.079 0.000 0.857 403 K CB 1.978 34.435 32.500 -0.071 0.000 1.384 403 K HN -0.160 nan 8.250 nan 0.000 0.446 404 D N 2.192 122.528 120.400 -0.108 0.000 2.349 404 D HA 0.032 4.680 4.640 0.013 0.000 0.266 404 D C 0.621 176.810 176.300 -0.185 0.000 1.293 404 D CA 0.213 54.119 54.000 -0.157 0.000 0.926 404 D CB 0.552 41.299 40.800 -0.088 0.000 1.090 404 D HN 0.432 nan 8.370 nan 0.000 0.502 405 L N 3.802 124.833 121.223 -0.319 0.000 2.478 405 L HA -0.128 4.220 4.340 0.013 0.000 0.223 405 L C 1.250 178.025 176.870 -0.159 0.000 1.140 405 L CA 0.370 55.062 54.840 -0.246 0.000 0.842 405 L CB -0.287 41.621 42.059 -0.250 0.000 0.953 405 L HN 0.467 nan 8.230 nan 0.000 0.452 406 Y N -0.597 119.695 120.300 -0.014 0.000 2.516 406 Y HA -0.015 4.543 4.550 0.013 0.000 0.291 406 Y C 2.077 177.966 175.900 -0.019 0.000 1.131 406 Y CA 0.105 58.195 58.100 -0.017 0.000 1.281 406 Y CB -0.156 38.282 38.460 -0.037 0.000 1.013 406 Y HN 0.125 nan 8.280 nan 0.000 0.554 407 E N 0.554 120.803 120.200 0.082 0.000 2.538 407 E HA 0.170 4.528 4.350 0.013 0.000 0.207 407 E C -0.220 176.391 176.600 0.018 0.000 1.002 407 E CA -0.001 56.427 56.400 0.047 0.000 0.952 407 E CB 0.105 29.822 29.700 0.030 0.000 1.031 407 E HN 0.298 nan 8.360 nan 0.000 0.476 408 L N 0.998 122.227 121.223 0.009 0.000 2.417 408 L HA 0.375 4.723 4.340 0.013 0.000 0.268 408 L C -2.042 174.833 176.870 0.008 0.000 1.158 408 L CA -2.089 52.751 54.840 -0.001 0.000 0.819 408 L CB -1.024 41.026 42.059 -0.014 0.000 1.112 408 L HN -0.256 nan 8.230 nan 0.000 0.458 409 P HA 0.127 nan 4.420 nan 0.000 0.267 409 P C -2.195 175.110 177.300 0.008 0.000 1.200 409 P CA -1.092 62.011 63.100 0.005 0.000 0.772 409 P CB 0.054 31.755 31.700 0.000 0.000 0.855 410 P HA -0.224 nan 4.420 nan 0.000 0.217 410 P C 1.571 178.878 177.300 0.011 0.000 1.151 410 P CA 1.674 64.783 63.100 0.014 0.000 0.849 410 P CB -0.040 31.668 31.700 0.013 0.000 0.787 411 E N 0.432 120.636 120.200 0.007 0.000 2.017 411 E HA -0.245 4.113 4.350 0.013 0.000 0.193 411 E C 2.062 178.663 176.600 0.002 0.000 0.997 411 E CA 1.388 57.790 56.400 0.004 0.000 0.804 411 E CB -1.229 28.472 29.700 0.001 0.000 0.757 411 E HN 0.358 nan 8.360 nan 0.000 0.448 412 E N 1.180 121.380 120.200 -0.001 0.000 2.110 412 E HA -0.133 4.225 4.350 0.013 0.000 0.193 412 E C 2.107 178.707 176.600 0.000 0.000 0.988 412 E CA 1.100 57.498 56.400 -0.005 0.000 0.804 412 E CB -0.106 29.587 29.700 -0.011 0.000 0.745 412 E HN 0.321 nan 8.360 nan 0.000 0.458 413 A N 1.116 123.940 122.820 0.007 0.000 1.883 413 A HA -0.126 4.202 4.320 0.013 0.000 0.217 413 A C 2.327 179.922 177.584 0.019 0.000 1.186 413 A CA 1.868 53.915 52.037 0.016 0.000 0.624 413 A CB -0.719 18.296 19.000 0.024 0.000 0.822 413 A HN 0.383 nan 8.150 nan 0.000 0.444 414 A N -0.084 122.747 122.820 0.017 0.000 2.206 414 A HA 0.152 4.480 4.320 0.013 0.000 0.211 414 A C 2.153 179.746 177.584 0.015 0.000 1.158 414 A CA 1.478 53.526 52.037 0.018 0.000 0.761 414 A CB -0.651 18.359 19.000 0.017 0.000 0.801 414 A HN 0.932 nan 8.150 nan 0.000 0.473 415 S N -0.590 115.116 115.700 0.010 0.000 2.562 415 S HA 0.217 4.694 4.470 0.013 0.000 0.221 415 S C 0.502 175.107 174.600 0.009 0.000 0.975 415 S CA -0.105 58.099 58.200 0.006 0.000 0.918 415 S CB -0.239 62.961 63.200 0.000 0.000 0.772 415 S HN 0.254 nan 8.310 nan 0.000 0.531 416 I N 2.747 123.326 120.570 0.014 0.000 2.377 416 I HA 0.469 4.647 4.170 0.013 0.000 0.293 416 I C -2.833 173.302 176.117 0.030 0.000 0.987 416 I CA -2.893 58.419 61.300 0.020 0.000 1.185 416 I CB 0.757 38.768 38.000 0.018 0.000 1.341 416 I HN -0.076 nan 8.210 nan 0.000 0.455 417 P HA 0.115 nan 4.420 nan 0.000 0.267 417 P C -0.390 176.944 177.300 0.056 0.000 1.209 417 P CA -0.225 62.899 63.100 0.040 0.000 0.763 417 P CB 0.453 32.175 31.700 0.037 0.000 0.816 418 Q N 1.250 121.085 119.800 0.059 0.000 2.312 418 Q HA 0.210 4.558 4.340 0.013 0.000 0.236 418 Q C 0.524 176.580 176.000 0.094 0.000 0.965 418 Q CA -0.026 55.823 55.803 0.077 0.000 0.894 418 Q CB 0.150 28.931 28.738 0.072 0.000 1.225 418 Q HN 0.485 nan 8.270 nan 0.000 0.478 419 T N -1.053 113.573 114.554 0.120 0.000 2.900 419 T HA 0.333 4.691 4.350 0.013 0.000 0.307 419 T C -2.192 172.597 174.700 0.147 0.000 1.065 419 T CA -1.361 60.830 62.100 0.150 0.000 1.105 419 T CB -0.064 68.909 68.868 0.176 0.000 0.979 419 T HN 0.232 nan 8.240 nan 0.000 0.544 420 P HA 0.183 nan 4.420 nan 0.000 0.268 420 P C 0.820 178.174 177.300 0.091 0.000 1.208 420 P CA -0.353 62.805 63.100 0.096 0.000 0.777 420 P CB 0.297 32.044 31.700 0.078 0.000 0.875 421 T N -0.383 114.160 114.554 -0.019 0.000 2.976 421 T HA -0.017 4.341 4.350 0.013 0.000 0.257 421 T C 0.579 175.199 174.700 -0.132 0.000 1.051 421 T CA 0.742 62.837 62.100 -0.007 0.000 1.141 421 T CB -0.106 68.756 68.868 -0.011 0.000 0.881 421 T HN 0.635 nan 8.240 nan 0.000 0.461 422 Q N -0.543 119.010 119.800 -0.411 0.000 2.482 422 Q HA 0.488 4.836 4.340 0.013 0.000 0.286 422 Q C 0.253 175.757 176.000 -0.828 0.000 1.007 422 Q CA -0.824 54.641 55.803 -0.562 0.000 0.801 422 Q CB 1.176 29.787 28.738 -0.212 0.000 1.455 422 Q HN -0.041 nan 8.270 nan 0.000 0.398 423 L N 2.205 123.020 121.223 -0.679 0.000 2.013 423 L HA -0.240 4.108 4.340 0.013 0.000 0.212 423 L C 2.348 179.111 176.870 -0.178 0.000 1.073 423 L CA 3.200 57.849 54.840 -0.319 0.000 0.753 423 L CB -0.686 41.372 42.059 -0.002 0.000 0.890 423 L HN 0.948 nan 8.230 nan 0.000 0.432 424 S N -1.849 113.766 115.700 -0.142 0.000 2.419 424 S HA -0.192 4.286 4.470 0.013 0.000 0.235 424 S C 1.704 176.259 174.600 -0.076 0.000 1.019 424 S CA 1.196 59.346 58.200 -0.084 0.000 0.982 424 S CB -0.727 62.434 63.200 -0.066 0.000 0.789 424 S HN 0.527 nan 8.310 nan 0.000 0.490 425 D N 1.756 122.087 120.400 -0.116 0.000 2.097 425 D HA -0.061 4.586 4.640 0.013 0.000 0.197 425 D C 2.341 178.616 176.300 -0.042 0.000 0.984 425 D CA 1.653 55.606 54.000 -0.079 0.000 0.826 425 D CB -0.621 40.119 40.800 -0.100 0.000 0.973 425 D HN 0.524 nan 8.370 nan 0.000 0.460 426 V N -0.741 119.139 119.914 -0.055 0.000 2.548 426 V HA -0.123 4.005 4.120 0.013 0.000 0.249 426 V C 2.173 178.297 176.094 0.050 0.000 1.055 426 V CA 0.846 63.164 62.300 0.030 0.000 1.065 426 V CB -0.477 31.404 31.823 0.098 0.000 0.681 426 V HN 0.022 nan 8.190 nan 0.000 0.462 427 I N 1.268 121.852 120.570 0.024 0.000 2.252 427 I HA -0.124 4.054 4.170 0.013 0.000 0.245 427 I C 2.383 178.527 176.117 0.046 0.000 1.102 427 I CA 1.740 63.062 61.300 0.036 0.000 1.385 427 I CB -1.299 36.705 38.000 0.007 0.000 1.064 427 I HN 0.345 nan 8.210 nan 0.000 0.414 428 D N 0.409 120.826 120.400 0.029 0.000 2.117 428 D HA -0.198 4.450 4.640 0.013 0.000 0.197 428 D C 2.280 178.616 176.300 0.061 0.000 0.987 428 D CA 1.036 55.058 54.000 0.038 0.000 0.829 428 D CB -0.153 40.658 40.800 0.017 0.000 0.961 428 D HN 0.095 nan 8.370 nan 0.000 0.460 429 R N 0.572 121.108 120.500 0.061 0.000 2.090 429 R HA -0.029 4.318 4.340 0.013 0.000 0.228 429 R C 2.104 178.480 176.300 0.128 0.000 1.110 429 R CA 0.533 56.681 56.100 0.079 0.000 0.973 429 R CB -0.817 29.522 30.300 0.066 0.000 0.869 429 R HN 0.170 nan 8.270 nan 0.000 0.440 430 L N 0.873 122.179 121.223 0.139 0.000 2.046 430 L HA -0.081 4.267 4.340 0.013 0.000 0.208 430 L C 2.076 179.116 176.870 0.282 0.000 1.077 430 L CA 2.072 57.024 54.840 0.187 0.000 0.747 430 L CB -0.600 41.526 42.059 0.112 0.000 0.896 430 L HN 0.367 nan 8.230 nan 0.000 0.432 431 E N -0.709 119.616 120.200 0.208 0.000 2.110 431 E HA -0.224 4.134 4.350 0.013 0.000 0.193 431 E C 2.026 178.776 176.600 0.250 0.000 0.988 431 E CA 1.047 57.591 56.400 0.240 0.000 0.804 431 E CB -0.100 29.680 29.700 0.133 0.000 0.745 431 E HN 0.653 nan 8.360 nan 0.000 0.458 432 A N 0.330 123.241 122.820 0.152 0.000 1.929 432 A HA -0.076 4.251 4.320 0.013 0.000 0.216 432 A C 0.677 178.273 177.584 0.019 0.000 1.176 432 A CA 1.185 53.268 52.037 0.076 0.000 0.628 432 A CB 0.205 19.240 19.000 0.058 0.000 0.816 432 A HN 0.256 nan 8.150 nan 0.000 0.444 433 D N -1.504 118.930 120.400 0.057 0.000 2.616 433 D HA 0.309 4.957 4.640 0.013 0.000 0.238 433 D C -0.541 175.830 176.300 0.119 0.000 1.354 433 D CA -0.432 53.571 54.000 0.005 0.000 0.970 433 D CB 0.523 41.367 40.800 0.074 0.000 1.369 433 D HN 0.439 nan 8.370 nan 0.000 0.585 434 H N 2.153 121.281 119.070 0.097 0.000 2.904 434 H HA 0.288 4.852 4.556 0.013 0.000 0.242 434 H C -0.033 175.215 175.328 -0.133 0.000 1.193 434 H CA -0.373 55.654 56.048 -0.035 0.000 0.946 434 H CB 0.421 30.141 29.762 -0.069 0.000 2.135 434 H HN 0.218 nan 8.280 nan 0.000 0.652 435 E N 1.420 121.606 120.200 -0.023 0.000 2.152 435 E HA -0.116 4.242 4.350 0.013 0.000 0.192 435 E C 1.604 178.195 176.600 -0.016 0.000 0.983 435 E CA 1.016 57.408 56.400 -0.013 0.000 0.818 435 E CB -0.265 29.444 29.700 0.014 0.000 0.758 435 E HN 0.783 nan 8.360 nan 0.000 0.467 436 Y N -0.425 119.812 120.300 -0.105 0.000 2.483 436 Y HA -0.008 4.550 4.550 0.012 0.000 0.291 436 Y C 1.953 177.723 175.900 -0.216 0.000 1.143 436 Y CA 0.574 58.566 58.100 -0.179 0.000 1.289 436 Y CB -0.568 37.659 38.460 -0.389 0.000 0.983 436 Y HN -0.104 nan 8.280 nan 0.000 0.556 437 L N 0.486 121.207 121.223 -0.837 0.000 2.202 437 L HA -0.028 4.320 4.340 0.013 0.000 0.205 437 L C 2.348 179.046 176.870 -0.287 0.000 1.083 437 L CA 1.317 55.698 54.840 -0.766 0.000 0.790 437 L CB -0.481 40.907 42.059 -1.119 0.000 0.942 437 L HN 0.395 nan 8.230 nan 0.000 0.452 438 T N -3.945 110.500 114.554 -0.182 0.000 3.129 438 T HA 0.062 4.420 4.350 0.013 0.000 0.251 438 T C 0.728 175.362 174.700 -0.110 0.000 1.117 438 T CA -0.245 61.813 62.100 -0.069 0.000 1.034 438 T CB -0.188 68.689 68.868 0.015 0.000 0.968 438 T HN -0.036 nan 8.240 nan 0.000 0.526 439 E N 1.723 121.820 120.200 -0.173 0.000 2.480 439 E HA 0.316 4.674 4.350 0.013 0.000 0.258 439 E C 1.465 177.823 176.600 -0.402 0.000 0.984 439 E CA 0.873 57.152 56.400 -0.202 0.000 0.930 439 E CB 0.357 29.959 29.700 -0.163 0.000 0.936 439 E HN 0.563 nan 8.360 nan 0.000 0.466 440 G N 3.072 111.783 108.800 -0.150 0.000 2.175 440 G HA2 -0.333 3.635 3.960 0.013 0.000 0.265 440 G HA3 -0.333 3.635 3.960 0.013 0.000 0.265 440 G C 0.933 175.789 174.900 -0.073 0.000 0.979 440 G CA 0.616 45.694 45.100 -0.036 0.000 0.663 440 G HN 1.231 nan 8.290 nan 0.000 0.533 441 G N -2.181 106.557 108.800 -0.102 0.000 2.179 441 G HA2 -0.159 3.809 3.960 0.013 0.000 0.257 441 G HA3 -0.159 3.809 3.960 0.013 0.000 0.257 441 G C 1.334 176.163 174.900 -0.118 0.000 1.010 441 G CA 1.179 46.230 45.100 -0.082 0.000 0.736 441 G HN 1.468 nan 8.290 nan 0.000 0.513 442 V N -0.935 118.881 119.914 -0.164 0.000 2.237 442 V HA 0.083 4.211 4.120 0.013 0.000 0.245 442 V C 1.588 177.524 176.094 -0.263 0.000 1.046 442 V CA 1.870 64.057 62.300 -0.187 0.000 1.007 442 V CB -0.424 31.293 31.823 -0.177 0.000 0.638 442 V HN 0.360 nan 8.190 nan 0.000 0.445 443 F N 0.161 119.953 119.950 -0.264 0.000 2.397 443 F HA 0.487 5.021 4.527 0.012 0.000 0.331 443 F C 0.711 176.399 175.800 -0.186 0.000 1.090 443 F CA -0.475 57.372 58.000 -0.256 0.000 1.065 443 F CB 1.423 40.231 39.000 -0.319 0.000 1.184 443 F HN 0.054 nan 8.300 nan 0.000 0.499 444 T N -1.729 112.820 114.554 -0.009 0.000 2.938 444 T HA 0.310 4.668 4.350 0.013 0.000 0.285 444 T C 0.659 175.361 174.700 0.003 0.000 1.028 444 T CA -0.932 61.156 62.100 -0.019 0.000 1.005 444 T CB 1.329 70.156 68.868 -0.068 0.000 1.157 444 T HN 0.391 nan 8.240 nan 0.000 0.550 445 N N 1.344 120.048 118.700 0.007 0.000 2.188 445 N HA -0.111 4.637 4.740 0.013 0.000 0.184 445 N C 1.685 177.195 175.510 0.000 0.000 1.018 445 N CA 1.522 54.575 53.050 0.007 0.000 0.858 445 N CB -0.409 38.108 38.487 0.050 0.000 0.989 445 N HN 0.850 nan 8.380 nan 0.000 0.426 446 D N 1.063 121.461 120.400 -0.003 0.000 2.178 446 D HA -0.166 4.482 4.640 0.013 0.000 0.201 446 D C 2.092 178.399 176.300 0.013 0.000 0.980 446 D CA 0.494 54.495 54.000 0.001 0.000 0.842 446 D CB -0.536 40.250 40.800 -0.024 0.000 0.948 446 D HN 0.263 nan 8.370 nan 0.000 0.472 447 L N 0.303 121.522 121.223 -0.006 0.000 1.994 447 L HA -0.122 4.226 4.340 0.013 0.000 0.208 447 L C 2.747 179.719 176.870 0.170 0.000 1.071 447 L CA 1.026 55.891 54.840 0.041 0.000 0.745 447 L CB -0.232 41.811 42.059 -0.027 0.000 0.892 447 L HN -0.094 nan 8.230 nan 0.000 0.431 448 I N -0.030 120.619 120.570 0.131 0.000 2.163 448 I HA -0.328 3.849 4.170 0.013 0.000 0.243 448 I C 2.438 178.631 176.117 0.128 0.000 1.085 448 I CA 1.688 63.066 61.300 0.130 0.000 1.347 448 I CB -0.369 37.539 38.000 -0.152 0.000 1.044 448 I HN 0.357 nan 8.210 nan 0.000 0.408 449 E N 0.065 120.304 120.200 0.064 0.000 2.110 449 E HA -0.188 4.169 4.350 0.013 0.000 0.193 449 E C 2.119 178.800 176.600 0.135 0.000 0.988 449 E CA 1.785 58.234 56.400 0.081 0.000 0.804 449 E CB -0.136 29.599 29.700 0.059 0.000 0.745 449 E HN 0.462 nan 8.360 nan 0.000 0.458 450 T N 0.518 115.172 114.554 0.166 0.000 2.777 450 T HA -0.161 4.197 4.350 0.013 0.000 0.266 450 T C 1.213 176.084 174.700 0.285 0.000 1.040 450 T CA 0.700 62.922 62.100 0.203 0.000 1.141 450 T CB -0.281 68.697 68.868 0.183 0.000 0.868 450 T HN 0.401 nan 8.240 nan 0.000 0.444 451 W N 1.610 122.982 121.300 0.119 0.000 2.335 451 W HA -0.143 4.526 4.660 0.014 0.000 0.311 451 W C 1.854 178.438 176.519 0.108 0.000 1.213 451 W CA 1.086 58.504 57.345 0.122 0.000 1.274 451 W CB -0.476 29.052 29.460 0.113 0.000 1.148 451 W HN 0.240 nan 8.180 nan 0.000 0.498 452 I N 0.088 120.790 120.570 0.221 0.000 2.179 452 I HA -0.339 3.838 4.170 0.013 0.000 0.242 452 I C 2.802 178.944 176.117 0.042 0.000 1.088 452 I CA 1.615 62.971 61.300 0.092 0.000 1.357 452 I CB -0.904 37.154 38.000 0.098 0.000 1.051 452 I HN -0.152 nan 8.210 nan 0.000 0.409 453 S N 0.284 116.033 115.700 0.081 0.000 2.356 453 S HA -0.217 4.261 4.470 0.013 0.000 0.223 453 S C 1.996 176.618 174.600 0.036 0.000 1.032 453 S CA 1.427 59.663 58.200 0.060 0.000 1.005 453 S CB -0.400 62.854 63.200 0.090 0.000 0.867 453 S HN 0.427 nan 8.310 nan 0.000 0.449 454 F N 2.344 122.253 119.950 -0.067 0.000 2.126 454 F HA -0.128 4.408 4.527 0.014 0.000 0.299 454 F C 2.170 177.860 175.800 -0.183 0.000 1.096 454 F CA 1.543 59.474 58.000 -0.116 0.000 1.255 454 F CB -0.147 38.767 39.000 -0.143 0.000 0.997 454 F HN 0.056 nan 8.300 nan 0.000 0.479 455 K N 0.484 120.806 120.400 -0.130 0.000 2.025 455 K HA -0.103 4.224 4.320 0.013 0.000 0.207 455 K C 2.216 178.692 176.600 -0.206 0.000 1.049 455 K CA 1.427 57.584 56.287 -0.217 0.000 0.933 455 K CB -0.585 31.773 32.500 -0.236 0.000 0.714 455 K HN 0.331 nan 8.250 nan 0.000 0.438 456 R N 0.969 121.383 120.500 -0.142 0.000 2.070 456 R HA -0.114 4.234 4.340 0.013 0.000 0.233 456 R C 2.284 178.500 176.300 -0.139 0.000 1.137 456 R CA 1.593 57.627 56.100 -0.109 0.000 0.945 456 R CB -0.142 30.121 30.300 -0.062 0.000 0.845 456 R HN 0.354 nan 8.270 nan 0.000 0.430 457 E N -0.235 119.863 120.200 -0.170 0.000 2.158 457 E HA -0.073 4.285 4.350 0.013 0.000 0.191 457 E C 1.068 177.521 176.600 -0.245 0.000 0.982 457 E CA 0.948 57.246 56.400 -0.169 0.000 0.823 457 E CB 0.093 29.715 29.700 -0.130 0.000 0.766 457 E HN 0.414 nan 8.360 nan 0.000 0.468 458 N N -0.461 117.986 118.700 -0.422 0.000 2.250 458 N HA 0.054 4.802 4.740 0.013 0.000 0.190 458 N C 0.927 176.216 175.510 -0.369 0.000 1.116 458 N CA 0.244 52.995 53.050 -0.499 0.000 0.881 458 N CB 0.700 38.584 38.487 -1.004 0.000 1.006 458 N HN 0.053 nan 8.380 nan 0.000 0.491 459 E N -0.143 119.879 120.200 -0.297 0.000 3.203 459 E HA 0.242 4.600 4.350 0.013 0.000 0.200 459 E C 1.244 177.773 176.600 -0.117 0.000 1.089 459 E CA -0.096 56.195 56.400 -0.182 0.000 1.430 459 E CB 0.353 29.959 29.700 -0.157 0.000 1.328 459 E HN 0.038 nan 8.360 nan 0.000 0.580 460 I N 2.061 122.564 120.570 -0.111 0.000 2.142 460 I HA -0.252 3.926 4.170 0.013 0.000 0.240 460 I C 2.674 178.754 176.117 -0.062 0.000 1.078 460 I CA 1.473 62.729 61.300 -0.073 0.000 1.343 460 I CB -0.146 37.812 38.000 -0.070 0.000 1.046 460 I HN 0.171 nan 8.210 nan 0.000 0.405 461 E N 0.979 121.135 120.200 -0.074 0.000 2.028 461 E HA -0.192 4.166 4.350 0.013 0.000 0.191 461 E C -0.497 176.074 176.600 -0.048 0.000 0.988 461 E CA 1.324 57.691 56.400 -0.055 0.000 0.799 461 E CB -0.716 28.949 29.700 -0.058 0.000 0.755 461 E HN 0.266 nan 8.360 nan 0.000 0.447 462 P HA -0.177 nan 4.420 nan 0.000 0.216 462 P C 1.434 178.714 177.300 -0.033 0.000 1.150 462 P CA 1.143 64.212 63.100 -0.052 0.000 0.843 462 P CB 0.045 31.699 31.700 -0.077 0.000 0.787 463 V N -0.294 119.599 119.914 -0.035 0.000 2.323 463 V HA -0.189 3.939 4.120 0.013 0.000 0.244 463 V C 2.106 178.207 176.094 0.012 0.000 1.041 463 V CA 1.864 64.156 62.300 -0.012 0.000 1.025 463 V CB -1.255 30.559 31.823 -0.015 0.000 0.656 463 V HN 0.084 nan 8.190 nan 0.000 0.451 464 N N 0.761 119.462 118.700 0.001 0.000 2.205 464 N HA -0.138 4.610 4.740 0.013 0.000 0.186 464 N C 1.695 177.216 175.510 0.019 0.000 1.015 464 N CA 1.933 54.989 53.050 0.010 0.000 0.862 464 N CB -0.385 38.098 38.487 -0.007 0.000 0.986 464 N HN 0.738 nan 8.380 nan 0.000 0.429 465 I N -2.583 117.995 120.570 0.014 0.000 3.419 465 I HA 0.119 4.297 4.170 0.013 0.000 0.286 465 I C 0.104 176.246 176.117 0.042 0.000 1.268 465 I CA 0.200 61.513 61.300 0.021 0.000 1.414 465 I CB 0.079 38.085 38.000 0.009 0.000 1.074 465 I HN -0.189 nan 8.210 nan 0.000 0.457 466 R N 2.792 123.323 120.500 0.051 0.000 2.207 466 R HA 0.428 4.776 4.340 0.013 0.000 0.334 466 R C -2.285 174.089 176.300 0.123 0.000 1.013 466 R CA -1.778 54.367 56.100 0.075 0.000 0.858 466 R CB 0.520 30.851 30.300 0.052 0.000 1.094 466 R HN 0.066 nan 8.270 nan 0.000 0.457 467 P HA -0.115 nan 4.420 nan 0.000 0.264 467 P C -0.853 176.632 177.300 0.308 0.000 1.183 467 P CA 0.324 63.580 63.100 0.259 0.000 0.763 467 P CB 0.435 32.356 31.700 0.368 0.000 0.807 468 H N 4.886 124.092 119.070 0.227 0.000 2.502 468 H HA 0.164 4.728 4.556 0.013 0.000 0.327 468 H C -1.647 173.865 175.328 0.306 0.000 1.099 468 H CA -2.077 54.094 56.048 0.204 0.000 1.323 468 H CB 1.203 31.055 29.762 0.151 0.000 1.450 468 H HN 0.216 nan 8.280 nan 0.000 0.502 469 P HA -0.227 nan 4.420 nan 0.000 0.218 469 P C 1.059 178.610 177.300 0.418 0.000 1.154 469 P CA 1.376 64.612 63.100 0.226 0.000 0.872 469 P CB -0.133 31.581 31.700 0.022 0.000 0.790 470 Y N 0.517 121.088 120.300 0.452 0.000 2.421 470 Y HA -0.126 4.432 4.550 0.013 0.000 0.292 470 Y C 2.035 177.981 175.900 0.077 0.000 1.136 470 Y CA 1.231 59.461 58.100 0.216 0.000 1.255 470 Y CB -0.530 37.992 38.460 0.103 0.000 0.991 470 Y HN 0.047 nan 8.280 nan 0.000 0.552 471 E N -0.999 119.315 120.200 0.189 0.000 2.204 471 E HA -0.213 4.145 4.350 0.013 0.000 0.195 471 E C 1.685 178.198 176.600 -0.145 0.000 0.990 471 E CA 1.345 57.733 56.400 -0.020 0.000 0.821 471 E CB -0.315 29.485 29.700 0.166 0.000 0.750 471 E HN 0.491 nan 8.360 nan 0.000 0.477 472 F N 0.393 120.340 119.950 -0.005 0.000 2.234 472 F HA -0.034 4.501 4.527 0.013 0.000 0.296 472 F C 2.382 178.128 175.800 -0.090 0.000 1.089 472 F CA 0.688 58.703 58.000 0.025 0.000 1.343 472 F CB -0.173 38.857 39.000 0.050 0.000 1.040 472 F HN 0.010 nan 8.300 nan 0.000 0.498 473 A N 0.113 122.877 122.820 -0.093 0.000 1.933 473 A HA -0.105 4.223 4.320 0.013 0.000 0.218 473 A C 2.129 179.467 177.584 -0.411 0.000 1.175 473 A CA 1.389 53.252 52.037 -0.291 0.000 0.628 473 A CB -0.891 17.794 19.000 -0.523 0.000 0.814 473 A HN 0.404 nan 8.150 nan 0.000 0.444 474 L N -2.827 118.016 121.223 -0.634 0.000 2.162 474 L HA -0.028 4.320 4.340 0.013 0.000 0.205 474 L C 1.703 178.256 176.870 -0.528 0.000 1.086 474 L CA 0.904 55.282 54.840 -0.771 0.000 0.778 474 L CB -0.114 41.137 42.059 -1.346 0.000 0.928 474 L HN 0.504 nan 8.230 nan 0.000 0.446 475 Y N -3.986 116.255 120.300 -0.099 0.000 2.471 475 Y HA 0.084 4.642 4.550 0.013 0.000 0.249 475 Y C 1.779 177.631 175.900 -0.079 0.000 1.116 475 Y CA -1.321 56.717 58.100 -0.103 0.000 1.240 475 Y CB -0.674 37.692 38.460 -0.158 0.000 1.251 475 Y HN -0.031 nan 8.280 nan 0.000 0.527 476 Y N 2.742 123.036 120.300 -0.009 0.000 2.193 476 Y HA -0.252 4.306 4.550 0.013 0.000 0.285 476 Y C 1.688 177.601 175.900 0.021 0.000 1.166 476 Y CA 2.194 60.302 58.100 0.013 0.000 1.181 476 Y CB 0.024 38.530 38.460 0.078 0.000 0.976 476 Y HN 0.237 nan 8.280 nan 0.000 0.520 477 D N 0.133 120.602 120.400 0.115 0.000 2.336 477 D HA 0.024 4.672 4.640 0.013 0.000 0.228 477 D C 0.674 176.973 176.300 -0.001 0.000 1.120 477 D CA 0.505 54.535 54.000 0.051 0.000 0.839 477 D CB -1.384 39.484 40.800 0.113 0.000 0.932 477 D HN 0.231 nan 8.370 nan 0.000 0.509 478 V N 0.000 119.905 119.914 -0.015 0.000 2.409 478 V HA 0.000 4.128 4.120 0.013 0.000 0.244 478 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 478 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556