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 2nqu_1_B DATA FIRST_RESID 6 DATA SEQUENCE GLMSLDTALN EMLSRVTPLT AQETLPLVQC FGRILASDVV SPLDVPGFDN DATA SEQUENCE SAMDGYAVRL ADIASGQPLP VAGKSFAGQP YHGEWPAGTC IRIMTGAPVP DATA SEQUENCE EGCEAVVMQE QTEQMDNGVR FTAEVRSGQN IRRRGEDISA GAVVFPAGTR DATA SEQUENCE LTTAELPVIA SLGIAEVPVI RKVRVALFST GDQLQLPGQP LGDGQIYDTN DATA SEQUENCE RLAVHLMLEQ LGCEVINLGI IRDDPHALRA AFIEADSQAD VVISSGGVSV DATA SEQUENCE GEADYTKTIL EELGEIAFWK LAIKPGKPFA FGKLSNSWFC GLPGNPVSAT DATA SEQUENCE LTFYQLVQPL LAKLSGNTAS GLPARQRVRT ASRLKKTPGR LDFQRGVLQR DATA SEQUENCE NADGELEVTT TGHQGSHIFS SFSLGNCFIV LERDRGNVEV GEWVEVEPFN DATA SEQUENCE ALFG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 6 G C 0.000 174.909 174.900 0.015 0.000 0.946 6 G CA 0.000 45.108 45.100 0.013 0.000 0.502 7 L N 0.138 121.371 121.223 0.017 0.000 1.113 7 L HA -0.009 4.331 4.340 0.000 0.000 0.354 7 L C -0.317 176.546 176.870 -0.012 0.000 1.048 7 L CA -0.341 54.511 54.840 0.020 0.000 1.210 7 L CB 0.196 42.273 42.059 0.029 0.000 0.255 7 L HN 0.809 nan 8.230 nan 0.000 0.116 8 M N 3.182 122.765 119.600 -0.029 0.000 2.235 8 M HA 0.465 4.945 4.480 0.000 0.000 0.351 8 M C 0.548 176.787 176.300 -0.103 0.000 1.178 8 M CA 0.117 55.352 55.300 -0.107 0.000 1.143 8 M CB 1.433 33.898 32.600 -0.227 0.000 1.530 8 M HN 0.661 nan 8.290 nan 0.000 0.461 9 S N 4.931 120.559 115.700 -0.121 0.000 2.610 9 S HA 0.221 4.691 4.470 0.000 0.000 0.273 9 S C 0.964 175.492 174.600 -0.120 0.000 1.274 9 S CA -1.011 57.134 58.200 -0.091 0.000 1.023 9 S CB 1.247 64.402 63.200 -0.076 0.000 0.962 9 S HN 0.983 nan 8.310 nan 0.000 0.523 10 L N 0.707 121.887 121.223 -0.071 0.000 1.989 10 L HA -0.152 4.188 4.340 0.000 0.000 0.211 10 L C 2.212 179.010 176.870 -0.119 0.000 1.071 10 L CA 2.423 57.216 54.840 -0.080 0.000 0.749 10 L CB -0.890 41.176 42.059 0.011 0.000 0.890 10 L HN 0.899 nan 8.230 nan 0.000 0.431 11 D N -0.625 119.721 120.400 -0.090 0.000 2.149 11 D HA -0.202 4.438 4.640 0.000 0.000 0.194 11 D C 1.975 178.192 176.300 -0.138 0.000 1.001 11 D CA 1.974 55.915 54.000 -0.099 0.000 0.849 11 D CB 0.079 40.835 40.800 -0.074 0.000 0.939 11 D HN 0.341 nan 8.370 nan 0.000 0.449 12 T N -0.129 114.326 114.554 -0.164 0.000 2.708 12 T HA -0.086 4.264 4.350 0.000 0.000 0.266 12 T C 1.914 176.431 174.700 -0.305 0.000 1.037 12 T CA 1.714 63.691 62.100 -0.206 0.000 1.146 12 T CB -0.396 68.345 68.868 -0.212 0.000 0.865 12 T HN 0.250 nan 8.240 nan 0.000 0.435 13 A N 1.505 124.085 122.820 -0.400 0.000 1.873 13 A HA 0.049 4.369 4.320 0.000 0.000 0.215 13 A C 2.309 179.708 177.584 -0.309 0.000 1.186 13 A CA 0.926 52.625 52.037 -0.563 0.000 0.616 13 A CB -0.894 17.826 19.000 -0.466 0.000 0.823 13 A HN 0.397 nan 8.150 nan 0.000 0.442 14 L N 0.059 121.140 121.223 -0.236 0.000 2.013 14 L HA -0.241 4.099 4.340 0.000 0.000 0.212 14 L C 2.321 179.082 176.870 -0.181 0.000 1.073 14 L CA 2.622 57.341 54.840 -0.202 0.000 0.753 14 L CB -0.957 41.002 42.059 -0.166 0.000 0.890 14 L HN 0.569 nan 8.230 nan 0.000 0.432 15 N N -0.197 118.408 118.700 -0.159 0.000 2.166 15 N HA -0.246 4.494 4.740 0.000 0.000 0.186 15 N C 1.745 177.192 175.510 -0.104 0.000 1.019 15 N CA 1.451 54.428 53.050 -0.120 0.000 0.856 15 N CB 0.080 38.506 38.487 -0.102 0.000 0.993 15 N HN 0.221 nan 8.380 nan 0.000 0.426 16 E N 0.015 120.145 120.200 -0.117 0.000 2.047 16 E HA -0.058 4.292 4.350 0.000 0.000 0.191 16 E C 1.937 178.538 176.600 0.002 0.000 0.987 16 E CA 1.277 57.667 56.400 -0.016 0.000 0.799 16 E CB -0.145 29.556 29.700 0.002 0.000 0.752 16 E HN 0.419 nan 8.360 nan 0.000 0.449 17 M N -0.268 119.245 119.600 -0.145 0.000 2.080 17 M HA -0.156 4.324 4.480 0.000 0.000 0.260 17 M C 2.145 178.273 176.300 -0.287 0.000 1.068 17 M CA 1.363 56.419 55.300 -0.407 0.000 1.109 17 M CB -0.307 31.891 32.600 -0.669 0.000 1.342 17 M HN 0.145 nan 8.290 nan 0.000 0.405 18 L N -0.464 120.632 121.223 -0.213 0.000 2.156 18 L HA -0.126 4.214 4.340 0.000 0.000 0.208 18 L C 2.766 179.571 176.870 -0.108 0.000 1.095 18 L CA 1.349 56.088 54.840 -0.168 0.000 0.770 18 L CB -0.884 41.092 42.059 -0.138 0.000 0.914 18 L HN 0.438 nan 8.230 nan 0.000 0.439 19 S N -0.204 115.456 115.700 -0.067 0.000 2.428 19 S HA -0.096 4.374 4.470 0.000 0.000 0.230 19 S C 2.001 176.610 174.600 0.016 0.000 1.014 19 S CA 0.365 58.554 58.200 -0.018 0.000 0.957 19 S CB -0.156 63.044 63.200 0.001 0.000 0.784 19 S HN 0.368 nan 8.310 nan 0.000 0.499 20 R N 0.453 120.961 120.500 0.014 0.000 2.275 20 R HA 0.281 4.621 4.340 0.000 0.000 0.199 20 R C -0.217 176.124 176.300 0.067 0.000 0.989 20 R CA 0.169 56.324 56.100 0.092 0.000 1.016 20 R CB -0.075 30.317 30.300 0.153 0.000 0.918 20 R HN 0.326 nan 8.270 nan 0.000 0.473 21 V N 1.533 121.393 119.914 -0.089 0.000 2.427 21 V HA 0.172 4.292 4.120 0.000 0.000 0.286 21 V C 0.126 176.246 176.094 0.043 0.000 1.034 21 V CA -0.282 61.961 62.300 -0.096 0.000 0.893 21 V CB 1.991 33.608 31.823 -0.343 0.000 0.982 21 V HN 0.014 nan 8.190 nan 0.000 0.452 22 T N 7.260 121.903 114.554 0.148 0.000 2.767 22 T HA 0.402 4.752 4.350 0.000 0.000 0.284 22 T C -2.463 172.293 174.700 0.092 0.000 0.973 22 T CA -0.966 61.202 62.100 0.113 0.000 0.996 22 T CB 1.457 70.411 68.868 0.142 0.000 0.927 22 T HN 0.448 nan 8.240 nan 0.000 0.456 23 P HA 0.107 nan 4.420 nan 0.000 0.266 23 P C -0.290 177.039 177.300 0.048 0.000 1.195 23 P CA -0.639 62.483 63.100 0.037 0.000 0.768 23 P CB 0.372 32.082 31.700 0.016 0.000 0.838 24 L N 2.794 124.045 121.223 0.047 0.000 2.483 24 L HA 0.074 4.414 4.340 0.000 0.000 0.275 24 L C 1.618 178.505 176.870 0.028 0.000 1.220 24 L CA 1.351 56.217 54.840 0.043 0.000 0.833 24 L CB -0.256 41.825 42.059 0.038 0.000 1.102 24 L HN 0.603 nan 8.230 nan 0.000 0.490 25 T N -1.533 113.036 114.554 0.026 0.000 2.993 25 T HA 0.413 4.763 4.350 0.000 0.000 0.260 25 T C 0.612 175.321 174.700 0.016 0.000 0.939 25 T CA 0.289 62.401 62.100 0.019 0.000 0.886 25 T CB -0.011 68.869 68.868 0.020 0.000 1.209 25 T HN 0.590 nan 8.240 nan 0.000 0.518 26 A N 1.934 124.764 122.820 0.017 0.000 2.492 26 A HA 0.559 4.879 4.320 0.000 0.000 0.236 26 A C 0.209 177.799 177.584 0.011 0.000 1.078 26 A CA -0.137 51.908 52.037 0.014 0.000 0.773 26 A CB 0.036 19.044 19.000 0.015 0.000 1.023 26 A HN 0.836 nan 8.150 nan 0.000 0.504 27 Q N 0.031 119.837 119.800 0.009 0.000 2.435 27 Q HA 0.660 5.000 4.340 0.000 0.000 0.282 27 Q C -1.603 174.401 176.000 0.007 0.000 1.020 27 Q CA -0.778 55.029 55.803 0.007 0.000 0.820 27 Q CB 1.582 30.324 28.738 0.007 0.000 1.436 27 Q HN 0.742 nan 8.270 nan 0.000 0.395 28 E N 0.721 120.924 120.200 0.005 0.000 2.393 28 E HA 0.514 4.864 4.350 0.000 0.000 0.273 28 E C -1.330 175.274 176.600 0.005 0.000 0.918 28 E CA -1.164 55.240 56.400 0.006 0.000 0.773 28 E CB 2.450 32.153 29.700 0.006 0.000 1.275 28 E HN 0.524 nan 8.360 nan 0.000 0.451 29 T N 2.073 116.631 114.554 0.007 0.000 2.770 29 T HA 0.450 4.800 4.350 0.000 0.000 0.297 29 T C -0.582 174.122 174.700 0.008 0.000 0.997 29 T CA -0.484 61.621 62.100 0.007 0.000 0.949 29 T CB 0.092 68.965 68.868 0.008 0.000 0.941 29 T HN 0.211 nan 8.240 nan 0.000 0.457 30 L N 5.217 126.445 121.223 0.007 0.000 2.362 30 L HA 0.515 4.855 4.340 0.000 0.000 0.271 30 L C -2.304 174.572 176.870 0.010 0.000 1.002 30 L CA -2.865 51.980 54.840 0.009 0.000 0.818 30 L CB 2.313 44.377 42.059 0.008 0.000 1.298 30 L HN 0.308 nan 8.230 nan 0.000 0.420 31 P HA 0.050 nan 4.420 nan 0.000 0.267 31 P C 0.865 178.175 177.300 0.016 0.000 1.200 31 P CA -0.087 63.021 63.100 0.014 0.000 0.772 31 P CB 0.642 32.351 31.700 0.015 0.000 0.855 32 L N 2.431 123.664 121.223 0.017 0.000 2.079 32 L HA -0.162 4.178 4.340 0.000 0.000 0.210 32 L C 2.363 179.249 176.870 0.028 0.000 1.081 32 L CA 1.317 56.168 54.840 0.017 0.000 0.752 32 L CB -0.759 41.311 42.059 0.019 0.000 0.896 32 L HN 0.246 nan 8.230 nan 0.000 0.433 33 V N -0.013 119.918 119.914 0.029 0.000 2.867 33 V HA -0.245 3.875 4.120 0.000 0.000 0.260 33 V C 1.759 177.878 176.094 0.042 0.000 1.099 33 V CA 1.630 63.950 62.300 0.035 0.000 1.122 33 V CB -0.306 31.531 31.823 0.024 0.000 0.708 33 V HN 0.580 nan 8.190 nan 0.000 0.490 34 Q N -2.091 117.730 119.800 0.036 0.000 2.204 34 Q HA 0.144 4.484 4.340 0.000 0.000 0.209 34 Q C 1.353 177.380 176.000 0.045 0.000 0.861 34 Q CA 0.112 55.939 55.803 0.039 0.000 0.971 34 Q CB 0.352 29.106 28.738 0.025 0.000 1.095 34 Q HN 0.647 nan 8.270 nan 0.000 0.486 35 C N 0.107 119.436 119.300 0.049 0.000 2.906 35 C HA 0.214 4.675 4.460 0.000 0.000 0.274 35 C C 0.704 175.710 174.990 0.026 0.000 1.257 35 C CA -0.794 58.236 59.018 0.019 0.000 1.695 35 C CB -1.089 26.640 27.740 -0.018 0.000 1.958 35 C HN 0.486 nan 8.230 nan 0.000 0.619 36 F N 1.762 121.690 119.950 -0.036 0.000 2.612 36 F HA 0.385 4.912 4.527 0.000 0.000 0.389 36 F C 1.421 177.197 175.800 -0.039 0.000 1.055 36 F CA 2.017 59.993 58.000 -0.040 0.000 1.232 36 F CB 0.379 39.359 39.000 -0.032 0.000 1.044 36 F HN 0.476 nan 8.300 nan 0.000 0.560 37 G N 3.855 112.417 108.800 -0.397 0.000 2.184 37 G HA2 -0.273 3.687 3.960 0.000 0.000 0.264 37 G HA3 -0.273 3.687 3.960 0.000 0.000 0.264 37 G C 0.349 175.182 174.900 -0.113 0.000 0.975 37 G CA -0.179 44.803 45.100 -0.195 0.000 0.642 37 G HN 0.610 nan 8.290 nan 0.000 0.536 38 R N 0.030 120.465 120.500 -0.108 0.000 2.459 38 R HA 0.487 4.827 4.340 0.000 0.000 0.281 38 R C 0.496 176.739 176.300 -0.095 0.000 1.050 38 R CA -0.952 55.104 56.100 -0.074 0.000 1.055 38 R CB 0.557 30.830 30.300 -0.046 0.000 1.045 38 R HN 0.160 nan 8.270 nan 0.000 0.495 39 I N 3.652 124.181 120.570 -0.067 0.000 2.322 39 I HA 0.152 4.322 4.170 0.000 0.000 0.292 39 I C 1.040 177.128 176.117 -0.048 0.000 1.060 39 I CA -0.774 60.488 61.300 -0.063 0.000 1.309 39 I CB -0.058 37.915 38.000 -0.046 0.000 1.415 39 I HN 0.345 nan 8.210 nan 0.000 0.492 40 L N 5.293 126.483 121.223 -0.056 0.000 2.543 40 L HA -0.026 4.314 4.340 0.000 0.000 0.285 40 L C 1.181 178.042 176.870 -0.014 0.000 1.236 40 L CA 0.213 55.033 54.840 -0.034 0.000 0.871 40 L CB 1.109 43.148 42.059 -0.033 0.000 1.121 40 L HN 0.811 nan 8.230 nan 0.000 0.501 41 A N 2.939 125.756 122.820 -0.004 0.000 2.013 41 A HA 0.210 4.531 4.320 0.000 0.000 0.204 41 A C 0.616 178.205 177.584 0.008 0.000 1.262 41 A CA 0.215 52.253 52.037 0.002 0.000 0.800 41 A CB 0.289 19.290 19.000 0.002 0.000 0.909 41 A HN 0.642 nan 8.150 nan 0.000 0.472 42 S N 1.339 117.047 115.700 0.013 0.000 2.521 42 S HA 0.445 4.915 4.470 0.000 0.000 0.295 42 S C -1.590 173.026 174.600 0.027 0.000 1.098 42 S CA -0.938 57.273 58.200 0.017 0.000 0.999 42 S CB 1.389 64.599 63.200 0.016 0.000 1.034 42 S HN 0.311 nan 8.310 nan 0.000 0.483 43 D N 1.608 122.025 120.400 0.029 0.000 2.667 43 D HA 0.025 4.665 4.640 0.000 0.000 0.226 43 D C -0.268 176.060 176.300 0.047 0.000 1.137 43 D CA 0.580 54.604 54.000 0.040 0.000 0.855 43 D CB 0.301 41.115 40.800 0.023 0.000 1.194 43 D HN 0.178 nan 8.370 nan 0.000 0.492 44 V N 3.296 123.255 119.914 0.075 0.000 2.385 44 V HA 0.200 4.320 4.120 0.000 0.000 0.269 44 V C 0.290 176.401 176.094 0.029 0.000 1.043 44 V CA -0.568 61.778 62.300 0.076 0.000 0.906 44 V CB 1.473 33.393 31.823 0.161 0.000 0.995 44 V HN 0.222 nan 8.190 nan 0.000 0.467 45 V N 4.265 124.189 119.914 0.016 0.000 2.417 45 V HA 0.340 4.460 4.120 0.000 0.000 0.291 45 V C 0.498 176.587 176.094 -0.008 0.000 1.024 45 V CA -0.398 61.898 62.300 -0.006 0.000 0.861 45 V CB 1.930 33.752 31.823 -0.002 0.000 0.985 45 V HN 0.858 nan 8.190 nan 0.000 0.436 46 S N 6.459 122.144 115.700 -0.026 0.000 2.516 46 S HA 0.191 4.661 4.470 0.000 0.000 0.282 46 S C -1.067 173.526 174.600 -0.011 0.000 1.286 46 S CA -0.798 57.388 58.200 -0.023 0.000 1.066 46 S CB 0.809 63.985 63.200 -0.040 0.000 0.884 46 S HN 0.718 nan 8.310 nan 0.000 0.491 47 P HA 0.175 nan 4.420 nan 0.000 0.249 47 P C -0.473 176.828 177.300 0.001 0.000 1.229 47 P CA 0.198 63.299 63.100 0.002 0.000 0.788 47 P CB -0.315 31.390 31.700 0.009 0.000 1.072 48 L N -4.706 116.514 121.223 -0.005 0.000 2.600 48 L HA 0.677 5.017 4.340 0.000 0.000 0.257 48 L C -0.991 175.869 176.870 -0.017 0.000 1.048 48 L CA -1.224 53.614 54.840 -0.004 0.000 0.869 48 L CB 0.341 42.404 42.059 0.006 0.000 1.482 48 L HN -0.456 nan 8.230 nan 0.000 0.408 49 D N 0.818 121.209 120.400 -0.016 0.000 2.350 49 D HA 0.567 5.208 4.640 0.000 0.000 0.249 49 D C -0.785 175.483 176.300 -0.053 0.000 1.119 49 D CA 0.220 54.201 54.000 -0.031 0.000 0.886 49 D CB 1.983 42.770 40.800 -0.022 0.000 1.195 49 D HN 0.453 nan 8.370 nan 0.000 0.437 50 V N 4.691 124.564 119.914 -0.068 0.000 2.577 50 V HA 0.313 4.433 4.120 0.000 0.000 0.303 50 V C -2.239 173.795 176.094 -0.101 0.000 1.042 50 V CA -1.712 60.532 62.300 -0.093 0.000 0.872 50 V CB 2.137 33.914 31.823 -0.077 0.000 0.998 50 V HN 0.434 nan 8.190 nan 0.000 0.423 51 P HA 0.113 nan 4.420 nan 0.000 0.267 51 P C 0.458 177.611 177.300 -0.245 0.000 1.200 51 P CA 0.398 63.354 63.100 -0.240 0.000 0.772 51 P CB 0.709 32.222 31.700 -0.312 0.000 0.855 52 G N 3.114 111.746 108.800 -0.280 0.000 2.712 52 G HA2 0.308 4.268 3.960 0.000 0.000 0.258 52 G HA3 0.308 4.268 3.960 0.000 0.000 0.258 52 G C -0.276 174.468 174.900 -0.259 0.000 1.241 52 G CA -0.524 44.496 45.100 -0.133 0.000 0.923 52 G HN 0.631 nan 8.290 nan 0.000 0.548 53 F N -2.513 117.442 119.950 0.008 0.000 1.730 53 F HA -0.212 4.315 4.527 0.000 0.000 0.241 53 F C -0.368 175.443 175.800 0.018 0.000 0.756 53 F CA -0.357 57.651 58.000 0.014 0.000 0.645 53 F CB -1.266 37.743 39.000 0.015 0.000 0.893 53 F HN 0.482 nan 8.300 nan 0.000 0.670 54 D N 3.862 124.362 120.400 0.166 0.000 2.419 54 D HA 0.295 4.935 4.640 0.000 0.000 0.236 54 D C 0.282 176.683 176.300 0.168 0.000 1.165 54 D CA 0.817 54.880 54.000 0.104 0.000 0.882 54 D CB 0.444 41.311 40.800 0.111 0.000 1.201 54 D HN 0.808 nan 8.370 nan 0.000 0.443 55 N N -1.460 117.293 118.700 0.090 0.000 3.127 55 N HA 0.094 4.834 4.740 0.000 0.000 0.239 55 N C -1.486 174.057 175.510 0.054 0.000 1.407 55 N CA -0.730 52.384 53.050 0.107 0.000 0.891 55 N CB 1.224 39.765 38.487 0.090 0.000 1.447 55 N HN 0.223 nan 8.380 nan 0.000 0.507 56 S N -0.872 114.862 115.700 0.056 0.000 2.586 56 S HA 0.595 5.065 4.470 0.000 0.000 0.274 56 S C 0.846 175.452 174.600 0.010 0.000 1.281 56 S CA 0.141 58.359 58.200 0.030 0.000 1.035 56 S CB 0.747 63.962 63.200 0.024 0.000 0.962 56 S HN 0.709 nan 8.310 nan 0.000 0.512 57 A N 4.773 127.596 122.820 0.004 0.000 2.308 57 A HA 0.413 4.733 4.320 0.000 0.000 0.217 57 A C 0.420 177.997 177.584 -0.011 0.000 1.216 57 A CA 0.217 52.251 52.037 -0.005 0.000 0.864 57 A CB -0.050 18.949 19.000 -0.001 0.000 0.902 57 A HN 0.717 nan 8.150 nan 0.000 0.499 58 M N -0.214 119.377 119.600 -0.015 0.000 2.575 58 M HA 0.341 4.821 4.480 0.000 0.000 0.284 58 M C -2.024 174.245 176.300 -0.052 0.000 1.253 58 M CA -0.798 54.486 55.300 -0.027 0.000 0.861 58 M CB 1.377 33.969 32.600 -0.013 0.000 1.733 58 M HN -0.081 nan 8.290 nan 0.000 0.462 59 D N 1.078 121.433 120.400 -0.075 0.000 2.308 59 D HA 0.711 5.351 4.640 0.000 0.000 0.251 59 D C 0.560 176.762 176.300 -0.162 0.000 1.127 59 D CA 0.707 54.634 54.000 -0.121 0.000 0.876 59 D CB 1.458 42.184 40.800 -0.123 0.000 1.176 59 D HN 0.835 nan 8.370 nan 0.000 0.446 60 G N 0.726 109.364 108.800 -0.270 0.000 2.566 60 G HA2 0.180 4.141 3.960 0.000 0.000 0.138 60 G HA3 0.180 4.141 3.960 0.000 0.000 0.138 60 G C -1.838 172.705 174.900 -0.596 0.000 1.133 60 G CA -0.722 44.127 45.100 -0.419 0.000 1.037 60 G HN 0.344 nan 8.290 nan 0.000 0.491 61 Y N 0.622 120.979 120.300 0.095 0.000 2.373 61 Y HA 0.655 5.205 4.550 0.000 0.000 0.336 61 Y C 0.442 176.394 175.900 0.088 0.000 0.979 61 Y CA -0.325 57.843 58.100 0.112 0.000 1.080 61 Y CB 2.474 41.091 38.460 0.262 0.000 1.190 61 Y HN 0.787 nan 8.280 nan 0.000 0.446 62 A N 3.843 126.737 122.820 0.124 0.000 2.457 62 A HA 0.517 4.838 4.320 0.000 0.000 0.298 62 A C 0.336 177.985 177.584 0.109 0.000 1.288 62 A CA -0.276 51.785 52.037 0.040 0.000 0.956 62 A CB -0.897 18.018 19.000 -0.142 0.000 1.135 62 A HN 0.702 nan 8.150 nan 0.000 0.535 63 V N 1.125 121.137 119.914 0.164 0.000 3.602 63 V HA 0.892 5.012 4.120 0.000 0.000 0.285 63 V C 0.092 176.349 176.094 0.271 0.000 1.187 63 V CA -1.090 61.317 62.300 0.178 0.000 0.940 63 V CB 1.071 32.813 31.823 -0.135 0.000 1.250 63 V HN 0.765 nan 8.190 nan 0.000 0.455 64 R N -0.550 120.020 120.500 0.116 0.000 2.548 64 R HA 0.545 4.885 4.340 0.000 0.000 0.280 64 R C 0.349 176.629 176.300 -0.033 0.000 1.061 64 R CA -0.645 55.477 56.100 0.036 0.000 0.915 64 R CB 1.623 31.895 30.300 -0.046 0.000 1.210 64 R HN 0.682 nan 8.270 nan 0.000 0.442 65 L N 2.068 123.271 121.223 -0.033 0.000 2.187 65 L HA -0.119 4.221 4.340 0.000 0.000 0.213 65 L C 1.709 178.549 176.870 -0.050 0.000 1.100 65 L CA 2.307 57.121 54.840 -0.045 0.000 0.765 65 L CB -1.061 40.982 42.059 -0.027 0.000 0.904 65 L HN 0.883 nan 8.230 nan 0.000 0.437 66 A N -0.376 122.413 122.820 -0.051 0.000 1.854 66 A HA -0.169 4.151 4.320 0.000 0.000 0.214 66 A C 1.894 179.450 177.584 -0.048 0.000 1.192 66 A CA 1.434 53.442 52.037 -0.048 0.000 0.611 66 A CB -0.418 18.549 19.000 -0.055 0.000 0.832 66 A HN 0.366 nan 8.150 nan 0.000 0.442 67 D N -0.059 120.309 120.400 -0.054 0.000 2.182 67 D HA -0.138 4.502 4.640 0.000 0.000 0.201 67 D C 1.676 177.941 176.300 -0.060 0.000 0.986 67 D CA 1.037 55.012 54.000 -0.042 0.000 0.847 67 D CB -0.326 40.461 40.800 -0.021 0.000 0.942 67 D HN 0.349 nan 8.370 nan 0.000 0.467 68 I N 1.354 121.860 120.570 -0.105 0.000 2.163 68 I HA -0.168 4.002 4.170 0.000 0.000 0.240 68 I C 2.301 178.388 176.117 -0.049 0.000 1.081 68 I CA 0.874 62.095 61.300 -0.132 0.000 1.353 68 I CB -0.608 37.286 38.000 -0.176 0.000 1.054 68 I HN -0.092 nan 8.210 nan 0.000 0.407 69 A N -0.912 121.886 122.820 -0.037 0.000 2.238 69 A HA -0.006 4.315 4.320 0.000 0.000 0.208 69 A C 2.300 179.880 177.584 -0.006 0.000 1.177 69 A CA 0.871 52.898 52.037 -0.016 0.000 0.804 69 A CB -0.662 18.328 19.000 -0.016 0.000 0.823 69 A HN 0.364 nan 8.150 nan 0.000 0.482 70 S N -0.495 115.201 115.700 -0.007 0.000 2.378 70 S HA -0.068 4.402 4.470 0.000 0.000 0.229 70 S C 1.801 176.409 174.600 0.012 0.000 1.052 70 S CA 1.883 60.085 58.200 0.003 0.000 1.084 70 S CB -0.455 62.750 63.200 0.007 0.000 0.950 70 S HN 1.754 nan 8.310 nan 0.000 0.440 71 G N -0.241 108.572 108.800 0.022 0.000 2.163 71 G HA2 -0.176 3.784 3.960 0.000 0.000 0.213 71 G HA3 -0.176 3.784 3.960 0.000 0.000 0.213 71 G C -0.168 174.760 174.900 0.046 0.000 0.991 71 G CA 0.026 45.146 45.100 0.033 0.000 0.653 71 G HN 0.461 nan 8.290 nan 0.000 0.518 72 Q N 0.524 120.354 119.800 0.051 0.000 2.321 72 Q HA 0.450 4.790 4.340 0.000 0.000 0.270 72 Q C -2.517 173.525 176.000 0.070 0.000 1.032 72 Q CA -1.760 54.071 55.803 0.047 0.000 0.784 72 Q CB 2.581 31.337 28.738 0.030 0.000 1.264 72 Q HN 0.124 nan 8.270 nan 0.000 0.448 73 P HA -0.079 nan 4.420 nan 0.000 0.271 73 P C -0.900 176.440 177.300 0.068 0.000 1.197 73 P CA 0.282 63.416 63.100 0.055 0.000 0.777 73 P CB 0.464 32.171 31.700 0.012 0.000 0.827 74 L N 3.033 124.298 121.223 0.071 0.000 2.492 74 L HA 0.288 4.628 4.340 0.000 0.000 0.258 74 L C -2.458 174.434 176.870 0.037 0.000 1.028 74 L CA -1.784 53.117 54.840 0.102 0.000 0.900 74 L CB 1.784 43.994 42.059 0.252 0.000 1.191 74 L HN 0.173 nan 8.230 nan 0.000 0.459 75 P HA -0.079 nan 4.420 nan 0.000 0.261 75 P C -0.032 177.277 177.300 0.014 0.000 1.173 75 P CA 0.163 63.270 63.100 0.012 0.000 0.760 75 P CB 0.451 32.170 31.700 0.031 0.000 0.783 76 V N 1.071 120.972 119.914 -0.021 0.000 2.439 76 V HA 0.392 4.512 4.120 0.000 0.000 0.271 76 V C 1.102 177.177 176.094 -0.031 0.000 1.040 76 V CA 0.408 62.693 62.300 -0.025 0.000 1.002 76 V CB 0.181 32.000 31.823 -0.008 0.000 1.000 76 V HN 0.613 nan 8.190 nan 0.000 0.477 77 A N 3.719 126.507 122.820 -0.053 0.000 2.238 77 A HA 0.762 5.083 4.320 0.000 0.000 0.210 77 A C 1.211 178.676 177.584 -0.198 0.000 1.179 77 A CA 0.637 52.651 52.037 -0.039 0.000 0.827 77 A CB -0.334 18.728 19.000 0.103 0.000 0.856 77 A HN 1.880 nan 8.150 nan 0.000 0.488 78 G N -0.542 108.022 108.800 -0.394 0.000 2.349 78 G HA2 0.467 4.427 3.960 0.000 0.000 0.294 78 G HA3 0.467 4.427 3.960 0.000 0.000 0.294 78 G C -1.665 172.890 174.900 -0.576 0.000 1.380 78 G CA -0.552 44.132 45.100 -0.693 0.000 0.811 78 G HN 0.400 nan 8.290 nan 0.000 0.519 79 K N -1.023 119.065 120.400 -0.519 0.000 2.371 79 K HA 0.809 5.129 4.320 0.000 0.000 0.251 79 K C -1.016 175.496 176.600 -0.148 0.000 0.934 79 K CA -0.912 55.218 56.287 -0.261 0.000 0.798 79 K CB 2.442 34.789 32.500 -0.254 0.000 1.204 79 K HN 0.439 nan 8.250 nan 0.000 0.427 80 S N 2.164 117.872 115.700 0.013 0.000 2.552 80 S HA 0.642 5.112 4.470 0.000 0.000 0.314 80 S C -1.603 173.199 174.600 0.337 0.000 1.099 80 S CA -0.692 57.594 58.200 0.144 0.000 1.070 80 S CB 0.211 63.468 63.200 0.093 0.000 0.998 80 S HN 0.449 nan 8.310 nan 0.000 0.474 81 F N 2.620 122.585 119.950 0.024 0.000 2.546 81 F HA 0.729 5.256 4.527 0.000 0.000 0.320 81 F C 1.024 176.842 175.800 0.029 0.000 1.076 81 F CA -0.349 57.662 58.000 0.017 0.000 0.928 81 F CB 1.354 40.365 39.000 0.020 0.000 1.189 81 F HN 0.822 nan 8.300 nan 0.000 0.465 82 A N 2.485 125.361 122.820 0.092 0.000 5.275 82 A HA -0.295 4.025 4.320 0.000 0.000 0.375 82 A C 1.720 179.368 177.584 0.107 0.000 1.552 82 A CA 2.176 54.252 52.037 0.064 0.000 0.785 82 A CB -1.726 17.282 19.000 0.013 0.000 1.536 82 A HN 1.483 nan 8.150 nan 0.000 0.439 83 G N -0.520 108.341 108.800 0.101 0.000 3.371 83 G HA2 0.426 4.386 3.960 0.000 0.000 0.248 83 G HA3 0.426 4.386 3.960 0.000 0.000 0.248 83 G C 0.356 175.287 174.900 0.051 0.000 1.161 83 G CA 1.134 46.271 45.100 0.062 0.000 0.796 83 G HN 0.993 nan 8.290 nan 0.000 0.539 84 Q N 0.777 120.643 119.800 0.111 0.000 2.414 84 Q HA 0.385 4.725 4.340 0.000 0.000 0.256 84 Q C -3.121 172.968 176.000 0.148 0.000 0.974 84 Q CA -1.902 53.970 55.803 0.115 0.000 0.723 84 Q CB 3.198 32.013 28.738 0.128 0.000 1.281 84 Q HN 0.037 nan 8.270 nan 0.000 0.470 85 P HA 0.140 nan 4.420 nan 0.000 0.281 85 P C -1.363 176.131 177.300 0.324 0.000 1.281 85 P CA -0.485 62.715 63.100 0.167 0.000 0.811 85 P CB 0.526 32.244 31.700 0.030 0.000 1.154 86 Y N 2.034 122.393 120.300 0.098 0.000 2.627 86 Y HA 0.141 4.691 4.550 0.000 0.000 0.347 86 Y C 0.654 176.615 175.900 0.102 0.000 1.099 86 Y CA -0.253 57.872 58.100 0.041 0.000 1.408 86 Y CB -0.749 37.684 38.460 -0.046 0.000 1.247 86 Y HN 0.312 nan 8.280 nan 0.000 0.506 87 H N 3.053 121.978 119.070 -0.242 0.000 2.421 87 H HA 0.601 5.157 4.556 0.000 0.000 0.241 87 H C -0.230 174.915 175.328 -0.305 0.000 1.428 87 H CA -0.590 55.338 56.048 -0.199 0.000 1.136 87 H CB -0.010 29.686 29.762 -0.110 0.000 1.612 87 H HN 0.700 nan 8.280 nan 0.000 0.537 88 G N 1.728 110.151 108.800 -0.629 0.000 2.532 88 G HA2 0.298 4.258 3.960 0.000 0.000 0.300 88 G HA3 0.298 4.258 3.960 0.000 0.000 0.300 88 G C -0.853 173.762 174.900 -0.474 0.000 1.911 88 G CA -0.441 44.332 45.100 -0.545 0.000 0.948 88 G HN 0.595 nan 8.290 nan 0.000 0.453 89 E N 0.330 120.451 120.200 -0.132 0.000 6.318 89 E HA -0.085 4.265 4.350 0.000 0.000 0.433 89 E C -0.872 175.926 176.600 0.329 0.000 0.534 89 E CA 0.671 57.119 56.400 0.080 0.000 1.118 89 E CB -0.088 29.639 29.700 0.044 0.000 0.803 89 E HN 1.404 nan 8.360 nan 0.000 0.369 90 W N 6.002 127.377 121.300 0.124 0.000 2.957 90 W HA 0.541 5.202 4.660 0.000 0.000 0.327 90 W C -2.991 173.581 176.519 0.088 0.000 1.039 90 W CA -1.950 55.496 57.345 0.169 0.000 1.257 90 W CB 1.116 30.711 29.460 0.224 0.000 1.238 90 W HN 0.720 nan 8.180 nan 0.000 0.406 91 P HA 0.584 nan 4.420 nan 0.000 0.287 91 P C -0.196 177.075 177.300 -0.048 0.000 1.270 91 P CA -0.350 62.764 63.100 0.025 0.000 0.844 91 P CB 1.448 33.197 31.700 0.081 0.000 1.068 92 A N 0.979 123.739 122.820 -0.101 0.000 2.547 92 A HA 0.374 4.694 4.320 0.000 0.000 0.233 92 A C 1.512 179.085 177.584 -0.020 0.000 1.067 92 A CA 0.947 52.920 52.037 -0.107 0.000 0.763 92 A CB -1.442 17.505 19.000 -0.088 0.000 1.007 92 A HN 1.033 nan 8.150 nan 0.000 0.506 93 G N 0.084 108.878 108.800 -0.010 0.000 2.212 93 G HA2 -0.167 3.793 3.960 0.000 0.000 0.266 93 G HA3 -0.167 3.793 3.960 0.000 0.000 0.266 93 G C 0.554 175.512 174.900 0.097 0.000 0.978 93 G CA 1.523 46.645 45.100 0.036 0.000 0.632 93 G HN 2.441 nan 8.290 nan 0.000 0.537 94 T N -1.256 113.401 114.554 0.172 0.000 2.807 94 T HA 0.629 4.980 4.350 0.000 0.000 0.279 94 T C 0.829 175.790 174.700 0.435 0.000 0.993 94 T CA -0.065 62.184 62.100 0.248 0.000 0.970 94 T CB 1.906 70.929 68.868 0.259 0.000 0.950 94 T HN 1.393 nan 8.240 nan 0.000 0.441 95 C N 2.990 122.450 119.300 0.267 0.000 2.517 95 C HA 0.858 5.318 4.460 0.000 0.000 0.357 95 C C 0.157 175.116 174.990 -0.052 0.000 1.485 95 C CA -1.056 58.096 59.018 0.222 0.000 2.148 95 C CB -0.722 27.165 27.740 0.245 0.000 2.019 95 C HN 0.926 nan 8.230 nan 0.000 0.576 96 I N 0.707 121.178 120.570 -0.164 0.000 2.582 96 I HA 0.426 4.596 4.170 0.000 0.000 0.292 96 I C -0.260 175.848 176.117 -0.016 0.000 1.066 96 I CA -0.490 60.618 61.300 -0.320 0.000 1.053 96 I CB 1.860 39.380 38.000 -0.799 0.000 1.241 96 I HN 0.790 nan 8.210 nan 0.000 0.421 97 R N 5.735 126.228 120.500 -0.011 0.000 2.441 97 R HA 0.695 5.036 4.340 0.000 0.000 0.284 97 R C -1.363 174.897 176.300 -0.068 0.000 1.070 97 R CA 0.125 56.225 56.100 0.001 0.000 1.047 97 R CB 0.912 31.234 30.300 0.037 0.000 1.016 97 R HN 0.658 nan 8.270 nan 0.000 0.477 98 I N 3.530 124.039 120.570 -0.102 0.000 2.841 98 I HA 0.351 4.521 4.170 0.000 0.000 0.298 98 I C -1.533 174.544 176.117 -0.067 0.000 1.304 98 I CA -0.979 60.300 61.300 -0.035 0.000 1.019 98 I CB 1.997 39.977 38.000 -0.035 0.000 1.282 98 I HN 0.720 nan 8.210 nan 0.000 0.432 99 M N 3.682 123.260 119.600 -0.036 0.000 2.644 99 M HA 0.471 4.952 4.480 0.000 0.000 0.316 99 M C -0.274 175.988 176.300 -0.063 0.000 1.200 99 M CA -0.261 54.977 55.300 -0.103 0.000 0.944 99 M CB 2.063 34.528 32.600 -0.225 0.000 1.691 99 M HN 0.573 nan 8.290 nan 0.000 0.471 100 T N 1.991 116.503 114.554 -0.070 0.000 2.905 100 T HA 0.334 4.684 4.350 0.000 0.000 0.299 100 T C 1.008 175.695 174.700 -0.022 0.000 1.024 100 T CA 1.351 63.427 62.100 -0.041 0.000 1.151 100 T CB -0.199 68.641 68.868 -0.047 0.000 0.987 100 T HN 1.004 nan 8.240 nan 0.000 0.535 101 G N 1.706 110.511 108.800 0.008 0.000 2.176 101 G HA2 -0.089 3.871 3.960 0.000 0.000 0.253 101 G HA3 -0.089 3.871 3.960 0.000 0.000 0.253 101 G C 0.262 175.234 174.900 0.120 0.000 0.979 101 G CA -0.063 45.060 45.100 0.038 0.000 0.641 101 G HN 1.208 nan 8.290 nan 0.000 0.530 102 A N 0.875 123.762 122.820 0.111 0.000 2.354 102 A HA 0.715 5.035 4.320 0.000 0.000 0.269 102 A C -1.715 176.002 177.584 0.220 0.000 1.109 102 A CA -1.054 51.082 52.037 0.165 0.000 0.800 102 A CB 0.388 19.461 19.000 0.122 0.000 1.045 102 A HN 0.136 nan 8.150 nan 0.000 0.489 103 P HA 0.114 nan 4.420 nan 0.000 0.261 103 P C 0.030 177.425 177.300 0.158 0.000 1.173 103 P CA 0.205 63.449 63.100 0.241 0.000 0.760 103 P CB 0.174 31.867 31.700 -0.011 0.000 0.783 104 V N 2.852 122.864 119.914 0.163 0.000 2.775 104 V HA 0.397 4.517 4.120 0.000 0.000 0.299 104 V C -1.955 174.219 176.094 0.134 0.000 1.062 104 V CA -1.940 60.432 62.300 0.120 0.000 1.063 104 V CB -0.177 31.718 31.823 0.120 0.000 0.994 104 V HN 0.414 nan 8.190 nan 0.000 0.483 105 P HA 0.205 nan 4.420 nan 0.000 0.274 105 P C -0.295 177.180 177.300 0.291 0.000 1.237 105 P CA -0.369 62.852 63.100 0.201 0.000 0.793 105 P CB 0.450 32.250 31.700 0.166 0.000 0.977 106 E N 0.632 120.991 120.200 0.265 0.000 2.383 106 E HA 0.193 4.543 4.350 0.000 0.000 0.257 106 E C 1.141 177.902 176.600 0.269 0.000 1.079 106 E CA 1.185 57.715 56.400 0.217 0.000 0.934 106 E CB -0.309 29.479 29.700 0.147 0.000 0.978 106 E HN 0.843 nan 8.360 nan 0.000 0.462 107 G N 2.948 111.876 108.800 0.213 0.000 2.231 107 G HA2 -0.253 3.707 3.960 0.000 0.000 0.206 107 G HA3 -0.253 3.707 3.960 0.000 0.000 0.206 107 G C 0.503 175.547 174.900 0.240 0.000 0.996 107 G CA -0.150 45.032 45.100 0.138 0.000 0.645 107 G HN 0.653 nan 8.290 nan 0.000 0.498 108 C N 1.305 120.846 119.300 0.401 0.000 2.662 108 C HA 0.602 5.062 4.460 0.000 0.000 0.420 108 C C 1.625 176.740 174.990 0.208 0.000 1.314 108 C CA 1.046 60.299 59.018 0.391 0.000 1.963 108 C CB 0.312 28.211 27.740 0.266 0.000 2.686 108 C HN 0.560 nan 8.230 nan 0.000 0.609 109 E N 2.460 122.766 120.200 0.177 0.000 2.536 109 E HA 0.375 4.725 4.350 0.000 0.000 0.220 109 E C 0.172 176.817 176.600 0.075 0.000 0.876 109 E CA 0.377 56.835 56.400 0.096 0.000 1.190 109 E CB 0.815 30.551 29.700 0.060 0.000 1.191 109 E HN 0.824 nan 8.360 nan 0.000 0.557 110 A N 0.406 123.280 122.820 0.090 0.000 2.515 110 A HA 0.586 4.906 4.320 0.000 0.000 0.292 110 A C -1.721 175.910 177.584 0.079 0.000 1.065 110 A CA -0.545 51.531 52.037 0.066 0.000 0.641 110 A CB 1.359 20.381 19.000 0.037 0.000 1.306 110 A HN -0.049 nan 8.150 nan 0.000 0.441 111 V N 0.034 119.990 119.914 0.071 0.000 2.760 111 V HA 0.603 4.723 4.120 0.000 0.000 0.309 111 V C -0.851 175.306 176.094 0.105 0.000 1.077 111 V CA -0.580 61.773 62.300 0.088 0.000 0.910 111 V CB 1.814 33.675 31.823 0.064 0.000 1.008 111 V HN 0.871 nan 8.190 nan 0.000 0.424 112 V N 5.622 125.642 119.914 0.176 0.000 2.417 112 V HA 0.436 4.556 4.120 0.000 0.000 0.291 112 V C 0.357 176.554 176.094 0.172 0.000 1.024 112 V CA -0.634 61.796 62.300 0.216 0.000 0.861 112 V CB 1.794 33.859 31.823 0.404 0.000 0.985 112 V HN 0.968 nan 8.190 nan 0.000 0.436 113 M N 3.962 123.624 119.600 0.104 0.000 2.248 113 M HA 0.205 4.685 4.480 0.000 0.000 0.345 113 M C 1.251 177.587 176.300 0.060 0.000 1.243 113 M CA 0.171 55.499 55.300 0.047 0.000 1.090 113 M CB 0.131 32.751 32.600 0.032 0.000 1.683 113 M HN 0.781 nan 8.290 nan 0.000 0.450 114 Q N 1.335 121.132 119.800 -0.006 0.000 2.248 114 Q HA -0.213 4.127 4.340 0.000 0.000 0.208 114 Q C 0.689 176.715 176.000 0.045 0.000 0.984 114 Q CA 2.179 57.992 55.803 0.017 0.000 0.875 114 Q CB -0.636 28.064 28.738 -0.064 0.000 0.910 114 Q HN 0.847 nan 8.270 nan 0.000 0.433 115 E N 1.130 121.347 120.200 0.028 0.000 2.396 115 E HA -0.132 4.218 4.350 0.000 0.000 0.200 115 E C 0.596 177.218 176.600 0.036 0.000 1.023 115 E CA 0.961 57.376 56.400 0.026 0.000 0.857 115 E CB 0.052 29.764 29.700 0.019 0.000 0.775 115 E HN 0.507 nan 8.360 nan 0.000 0.525 116 Q N -0.014 119.823 119.800 0.061 0.000 2.206 116 Q HA 0.149 4.489 4.340 0.000 0.000 0.265 116 Q C -0.536 175.496 176.000 0.054 0.000 0.866 116 Q CA -0.110 55.737 55.803 0.073 0.000 1.073 116 Q CB 0.886 29.691 28.738 0.110 0.000 1.165 116 Q HN 0.161 nan 8.270 nan 0.000 0.465 117 T N -3.308 111.239 114.554 -0.012 0.000 2.906 117 T HA 0.593 4.943 4.350 0.000 0.000 0.295 117 T C -0.888 173.745 174.700 -0.111 0.000 1.075 117 T CA -0.869 61.138 62.100 -0.156 0.000 1.005 117 T CB 2.480 71.196 68.868 -0.252 0.000 1.136 117 T HN 0.033 nan 8.240 nan 0.000 0.498 118 E N 1.098 121.201 120.200 -0.161 0.000 2.185 118 E HA 0.385 4.735 4.350 0.000 0.000 0.261 118 E C -0.790 175.726 176.600 -0.140 0.000 0.879 118 E CA -0.604 55.734 56.400 -0.104 0.000 0.756 118 E CB 1.536 31.194 29.700 -0.070 0.000 1.152 118 E HN 0.622 nan 8.360 nan 0.000 0.416 119 Q N 4.135 123.876 119.800 -0.099 0.000 2.271 119 Q HA 0.211 4.551 4.340 0.000 0.000 0.273 119 Q C -1.071 174.882 176.000 -0.079 0.000 1.051 119 Q CA 0.507 56.251 55.803 -0.098 0.000 0.901 119 Q CB 0.472 29.182 28.738 -0.047 0.000 1.174 119 Q HN 0.618 nan 8.270 nan 0.000 0.385 120 M N 2.278 121.823 119.600 -0.091 0.000 2.840 120 M HA 0.337 4.817 4.480 0.000 0.000 0.283 120 M C 0.399 176.671 176.300 -0.047 0.000 1.136 120 M CA -0.147 55.117 55.300 -0.061 0.000 0.857 120 M CB 1.344 33.908 32.600 -0.061 0.000 1.644 120 M HN 0.769 nan 8.290 nan 0.000 0.520 121 D N -0.594 119.787 120.400 -0.032 0.000 2.369 121 D HA -0.027 4.613 4.640 0.000 0.000 0.231 121 D C 0.531 176.819 176.300 -0.019 0.000 0.967 121 D CA 0.620 54.607 54.000 -0.022 0.000 0.905 121 D CB -0.478 40.313 40.800 -0.015 0.000 1.044 121 D HN 0.628 nan 8.370 nan 0.000 0.487 122 N N 1.418 120.108 118.700 -0.017 0.000 2.501 122 N HA 0.119 4.859 4.740 0.000 0.000 0.195 122 N C 0.990 176.491 175.510 -0.016 0.000 1.213 122 N CA 0.766 53.809 53.050 -0.011 0.000 0.864 122 N CB 0.519 39.003 38.487 -0.004 0.000 0.999 122 N HN 0.379 nan 8.380 nan 0.000 0.454 123 G N -1.251 107.527 108.800 -0.035 0.000 2.343 123 G HA2 -0.024 3.937 3.960 0.000 0.000 0.562 123 G HA3 -0.024 3.937 3.960 0.000 0.000 0.562 123 G C -1.542 173.292 174.900 -0.110 0.000 1.269 123 G CA -0.462 44.602 45.100 -0.059 0.000 1.011 123 G HN 0.135 nan 8.290 nan 0.000 0.498 124 V N 0.909 120.712 119.914 -0.185 0.000 2.530 124 V HA 0.627 4.747 4.120 0.000 0.000 0.282 124 V C 0.991 176.897 176.094 -0.313 0.000 1.048 124 V CA -0.076 62.001 62.300 -0.373 0.000 0.997 124 V CB 1.283 32.653 31.823 -0.756 0.000 0.987 124 V HN 0.893 nan 8.190 nan 0.000 0.477 125 R N 2.668 122.959 120.500 -0.348 0.000 2.643 125 R HA 0.698 5.038 4.340 0.000 0.000 0.272 125 R C -1.467 174.613 176.300 -0.367 0.000 0.995 125 R CA -0.447 55.555 56.100 -0.163 0.000 1.032 125 R CB 1.244 31.499 30.300 -0.074 0.000 1.126 125 R HN 0.538 nan 8.270 nan 0.000 0.505 126 F N -0.714 119.226 119.950 -0.016 0.000 2.654 126 F HA 0.538 5.065 4.527 0.000 0.000 0.334 126 F C 0.297 176.106 175.800 0.015 0.000 1.078 126 F CA -0.413 57.591 58.000 0.007 0.000 0.986 126 F CB 2.450 41.460 39.000 0.016 0.000 1.362 126 F HN 0.510 nan 8.300 nan 0.000 0.498 127 T N -1.244 113.444 114.554 0.223 0.000 2.573 127 T HA 0.524 4.874 4.350 0.000 0.000 0.259 127 T C 0.421 175.190 174.700 0.115 0.000 0.886 127 T CA -0.315 61.863 62.100 0.129 0.000 1.110 127 T CB 0.548 69.463 68.868 0.078 0.000 1.421 127 T HN 0.791 nan 8.240 nan 0.000 0.523 128 A N 0.525 123.391 122.820 0.077 0.000 2.394 128 A HA -0.120 4.200 4.320 0.000 0.000 0.330 128 A C 0.531 178.144 177.584 0.049 0.000 1.437 128 A CA 1.978 54.048 52.037 0.056 0.000 1.089 128 A CB -2.177 16.852 19.000 0.048 0.000 0.917 128 A HN 1.107 nan 8.150 nan 0.000 0.374 129 E N -3.476 116.755 120.200 0.051 0.000 8.312 129 E HA -0.141 4.209 4.350 0.000 0.000 0.466 129 E C -0.625 175.994 176.600 0.031 0.000 0.943 129 E CA 1.242 57.662 56.400 0.033 0.000 1.639 129 E CB -0.257 29.456 29.700 0.021 0.000 0.994 129 E HN 0.937 nan 8.360 nan 0.000 0.361 130 V N 4.455 124.376 119.914 0.011 0.000 2.334 130 V HA 0.382 4.502 4.120 0.000 0.000 0.281 130 V C 0.659 176.756 176.094 0.006 0.000 1.016 130 V CA -0.062 62.243 62.300 0.009 0.000 0.832 130 V CB 1.245 33.055 31.823 -0.022 0.000 0.999 130 V HN 0.648 nan 8.190 nan 0.000 0.439 131 R N 3.298 123.807 120.500 0.014 0.000 2.590 131 R HA 0.220 4.560 4.340 0.000 0.000 0.274 131 R C 0.535 176.843 176.300 0.013 0.000 1.061 131 R CA 0.154 56.262 56.100 0.012 0.000 1.081 131 R CB 0.616 30.926 30.300 0.015 0.000 0.984 131 R HN 0.722 nan 8.270 nan 0.000 0.448 132 S N 2.123 117.829 115.700 0.010 0.000 2.560 132 S HA 0.250 4.720 4.470 0.000 0.000 0.284 132 S C 1.027 175.638 174.600 0.018 0.000 1.327 132 S CA 0.897 59.105 58.200 0.013 0.000 1.055 132 S CB 0.525 63.731 63.200 0.010 0.000 0.868 132 S HN 0.909 nan 8.310 nan 0.000 0.506 133 G N 2.925 111.741 108.800 0.025 0.000 2.205 133 G HA2 -0.322 3.638 3.960 0.000 0.000 0.269 133 G HA3 -0.322 3.638 3.960 0.000 0.000 0.269 133 G C 0.088 175.005 174.900 0.030 0.000 0.977 133 G CA 0.879 45.996 45.100 0.030 0.000 0.652 133 G HN 1.074 nan 8.290 nan 0.000 0.539 134 Q N 0.071 119.888 119.800 0.029 0.000 2.315 134 Q HA 0.342 4.682 4.340 0.000 0.000 0.289 134 Q C 0.713 176.733 176.000 0.034 0.000 1.044 134 Q CA 0.272 56.092 55.803 0.029 0.000 0.920 134 Q CB 0.221 28.977 28.738 0.030 0.000 1.214 134 Q HN 0.416 nan 8.270 nan 0.000 0.392 135 N N 2.396 121.112 118.700 0.027 0.000 2.725 135 N HA -0.197 4.543 4.740 0.000 0.000 0.251 135 N C -0.379 175.147 175.510 0.027 0.000 1.031 135 N CA 1.159 54.224 53.050 0.025 0.000 0.720 135 N CB -1.205 37.299 38.487 0.028 0.000 0.930 135 N HN 0.754 nan 8.380 nan 0.000 0.543 136 I N -1.201 119.384 120.570 0.026 0.000 4.154 136 I HA 0.090 4.261 4.170 0.000 0.000 0.334 136 I C 1.315 177.442 176.117 0.017 0.000 1.371 136 I CA -0.282 61.037 61.300 0.031 0.000 1.110 136 I CB 0.254 38.280 38.000 0.043 0.000 1.085 136 I HN 0.098 nan 8.210 nan 0.000 0.398 137 R N 1.609 122.111 120.500 0.004 0.000 3.835 137 R HA -0.223 4.117 4.340 0.000 0.000 0.258 137 R C -0.162 176.129 176.300 -0.015 0.000 0.513 137 R CA 1.212 57.304 56.100 -0.014 0.000 1.067 137 R CB -0.821 29.461 30.300 -0.029 0.000 0.903 137 R HN 0.290 nan 8.270 nan 0.000 0.594 138 R N 0.452 120.941 120.500 -0.019 0.000 3.299 138 R HA -0.022 4.318 4.340 0.000 0.000 0.413 138 R C -0.420 175.860 176.300 -0.034 0.000 1.124 138 R CA 0.244 56.337 56.100 -0.011 0.000 0.998 138 R CB -0.416 29.883 30.300 -0.001 0.000 2.441 138 R HN 0.601 nan 8.270 nan 0.000 0.633 139 R N 1.239 121.723 120.500 -0.026 0.000 2.481 139 R HA 0.002 4.342 4.340 0.000 0.000 0.291 139 R C 1.161 177.439 176.300 -0.037 0.000 0.934 139 R CA 2.469 58.545 56.100 -0.040 0.000 1.116 139 R CB -0.136 30.166 30.300 0.003 0.000 0.895 139 R HN 0.922 nan 8.270 nan 0.000 0.410 140 G N 3.064 111.832 108.800 -0.055 0.000 2.159 140 G HA2 -0.319 3.641 3.960 0.000 0.000 0.256 140 G HA3 -0.319 3.641 3.960 0.000 0.000 0.256 140 G C 0.557 175.432 174.900 -0.043 0.000 0.977 140 G CA 0.556 45.629 45.100 -0.044 0.000 0.652 140 G HN 0.815 nan 8.290 nan 0.000 0.531 141 E N -0.217 119.955 120.200 -0.046 0.000 2.481 141 E HA 0.015 4.365 4.350 0.000 0.000 0.195 141 E C 1.052 177.626 176.600 -0.044 0.000 1.047 141 E CA 0.991 57.368 56.400 -0.039 0.000 0.867 141 E CB 0.002 29.683 29.700 -0.033 0.000 0.858 141 E HN 0.410 nan 8.360 nan 0.000 0.513 142 D N 0.471 120.839 120.400 -0.054 0.000 2.490 142 D HA 0.267 4.907 4.640 0.000 0.000 0.244 142 D C 0.618 176.879 176.300 -0.065 0.000 0.979 142 D CA 0.519 54.485 54.000 -0.057 0.000 0.924 142 D CB 1.010 41.773 40.800 -0.061 0.000 1.075 142 D HN 0.175 nan 8.370 nan 0.000 0.488 143 I N 0.631 121.161 120.570 -0.067 0.000 2.607 143 I HA 0.188 4.358 4.170 0.000 0.000 0.290 143 I C -0.670 175.412 176.117 -0.058 0.000 1.129 143 I CA -0.590 60.666 61.300 -0.073 0.000 1.042 143 I CB 2.508 40.456 38.000 -0.087 0.000 1.242 143 I HN -0.286 nan 8.210 nan 0.000 0.421 144 S N 3.322 118.991 115.700 -0.052 0.000 2.617 144 S HA 0.709 5.180 4.470 0.000 0.000 0.283 144 S C 0.182 174.760 174.600 -0.036 0.000 1.189 144 S CA -0.799 57.377 58.200 -0.039 0.000 1.036 144 S CB 1.783 64.963 63.200 -0.032 0.000 1.014 144 S HN 0.728 nan 8.310 nan 0.000 0.522 145 A N 0.962 123.767 122.820 -0.026 0.000 2.462 145 A HA 0.541 4.861 4.320 0.000 0.000 0.243 145 A C 1.487 179.059 177.584 -0.020 0.000 1.076 145 A CA 0.191 52.216 52.037 -0.020 0.000 0.773 145 A CB -1.074 17.919 19.000 -0.011 0.000 1.010 145 A HN 2.009 nan 8.150 nan 0.000 0.493 146 G N 0.090 108.878 108.800 -0.019 0.000 2.179 146 G HA2 0.130 4.090 3.960 0.000 0.000 0.260 146 G HA3 0.130 4.090 3.960 0.000 0.000 0.260 146 G C 0.586 175.472 174.900 -0.024 0.000 0.977 146 G CA 0.589 45.679 45.100 -0.017 0.000 0.641 146 G HN 2.161 nan 8.290 nan 0.000 0.533 147 A N -0.195 122.604 122.820 -0.035 0.000 2.322 147 A HA 0.705 5.025 4.320 0.000 0.000 0.269 147 A C 0.704 178.254 177.584 -0.057 0.000 1.094 147 A CA 0.172 52.182 52.037 -0.046 0.000 0.807 147 A CB 1.057 20.023 19.000 -0.058 0.000 1.047 147 A HN 1.127 nan 8.150 nan 0.000 0.487 148 V N 3.316 123.196 119.914 -0.057 0.000 2.446 148 V HA 0.038 4.158 4.120 0.000 0.000 0.276 148 V C 1.241 177.255 176.094 -0.134 0.000 1.030 148 V CA 0.233 62.494 62.300 -0.065 0.000 1.033 148 V CB 0.617 32.415 31.823 -0.041 0.000 0.993 148 V HN 0.711 nan 8.190 nan 0.000 0.477 149 V N 5.342 125.140 119.914 -0.193 0.000 2.426 149 V HA 0.139 4.259 4.120 0.000 0.000 0.242 149 V C 0.380 176.061 176.094 -0.688 0.000 1.036 149 V CA 1.185 63.216 62.300 -0.448 0.000 1.044 149 V CB -0.241 31.289 31.823 -0.488 0.000 0.688 149 V HN 0.652 nan 8.190 nan 0.000 0.462 150 F N 1.190 121.130 119.950 -0.017 0.000 2.529 150 F HA 0.586 5.113 4.527 0.000 0.000 0.320 150 F C -2.665 173.123 175.800 -0.019 0.000 1.118 150 F CA -2.567 55.421 58.000 -0.020 0.000 0.915 150 F CB 2.061 41.046 39.000 -0.025 0.000 1.161 150 F HN -0.082 nan 8.300 nan 0.000 0.445 151 P HA 0.285 nan 4.420 nan 0.000 0.286 151 P C -0.780 176.562 177.300 0.069 0.000 1.261 151 P CA -0.408 62.741 63.100 0.081 0.000 0.821 151 P CB 1.255 32.985 31.700 0.050 0.000 1.013 152 A N 1.839 124.684 122.820 0.042 0.000 2.603 152 A HA 0.315 4.635 4.320 0.000 0.000 0.235 152 A C 1.529 179.120 177.584 0.011 0.000 1.035 152 A CA 1.204 53.254 52.037 0.022 0.000 0.755 152 A CB -1.675 17.334 19.000 0.016 0.000 0.954 152 A HN 0.964 nan 8.150 nan 0.000 0.511 153 G N 1.673 110.470 108.800 -0.004 0.000 2.175 153 G HA2 -0.198 3.762 3.960 0.000 0.000 0.244 153 G HA3 -0.198 3.762 3.960 0.000 0.000 0.244 153 G C 0.415 175.298 174.900 -0.028 0.000 0.982 153 G CA 0.482 45.573 45.100 -0.015 0.000 0.641 153 G HN 1.328 nan 8.290 nan 0.000 0.527 154 T N 1.365 115.904 114.554 -0.026 0.000 2.814 154 T HA 0.410 4.760 4.350 0.000 0.000 0.297 154 T C 0.673 175.305 174.700 -0.113 0.000 0.956 154 T CA -0.160 61.905 62.100 -0.060 0.000 1.123 154 T CB 1.227 70.065 68.868 -0.051 0.000 0.902 154 T HN 0.470 nan 8.240 nan 0.000 0.528 155 R N 3.494 123.914 120.500 -0.133 0.000 2.370 155 R HA 0.228 4.568 4.340 0.000 0.000 0.309 155 R C -0.406 175.736 176.300 -0.263 0.000 1.059 155 R CA -0.295 55.697 56.100 -0.179 0.000 0.981 155 R CB -0.001 30.198 30.300 -0.168 0.000 0.972 155 R HN 0.562 nan 8.270 nan 0.000 0.437 156 L N 3.327 124.376 121.223 -0.291 0.000 2.375 156 L HA 0.416 4.756 4.340 0.000 0.000 0.271 156 L C 0.534 177.093 176.870 -0.518 0.000 1.107 156 L CA -0.032 54.592 54.840 -0.360 0.000 0.806 156 L CB 1.739 43.635 42.059 -0.271 0.000 1.146 156 L HN 0.708 nan 8.230 nan 0.000 0.447 157 T N -1.001 113.265 114.554 -0.480 0.000 2.711 157 T HA 0.120 4.470 4.350 0.000 0.000 0.302 157 T C 0.788 175.387 174.700 -0.169 0.000 1.373 157 T CA -0.443 61.304 62.100 -0.588 0.000 1.000 157 T CB 1.676 70.275 68.868 -0.449 0.000 1.483 157 T HN 0.631 nan 8.240 nan 0.000 0.499 158 T N 1.421 116.037 114.554 0.103 0.000 2.849 158 T HA -0.075 4.275 4.350 0.000 0.000 0.270 158 T C 1.998 176.715 174.700 0.028 0.000 1.066 158 T CA 1.443 63.619 62.100 0.127 0.000 1.130 158 T CB -0.351 68.624 68.868 0.178 0.000 0.864 158 T HN 0.629 nan 8.240 nan 0.000 0.481 159 A N 1.247 124.056 122.820 -0.018 0.000 1.968 159 A HA -0.035 4.285 4.320 0.000 0.000 0.217 159 A C 2.175 179.728 177.584 -0.051 0.000 1.169 159 A CA 1.301 53.328 52.037 -0.017 0.000 0.638 159 A CB -0.217 18.772 19.000 -0.018 0.000 0.812 159 A HN 0.449 nan 8.150 nan 0.000 0.446 160 E N -0.485 119.583 120.200 -0.220 0.000 2.201 160 E HA 0.183 4.533 4.350 0.000 0.000 0.193 160 E C 1.816 178.269 176.600 -0.245 0.000 0.957 160 E CA 0.220 56.325 56.400 -0.492 0.000 0.858 160 E CB -0.207 28.828 29.700 -1.110 0.000 0.816 160 E HN 0.501 nan 8.360 nan 0.000 0.475 161 L N 1.006 122.133 121.223 -0.160 0.000 2.046 161 L HA -0.097 4.243 4.340 0.000 0.000 0.208 161 L C -0.757 176.121 176.870 0.013 0.000 1.077 161 L CA 1.270 56.072 54.840 -0.064 0.000 0.747 161 L CB -1.048 40.990 42.059 -0.034 0.000 0.896 161 L HN 0.135 nan 8.230 nan 0.000 0.432 162 P HA -0.096 nan 4.420 nan 0.000 0.222 162 P C 1.710 179.052 177.300 0.070 0.000 1.147 162 P CA 0.886 64.015 63.100 0.047 0.000 0.790 162 P CB 0.134 31.861 31.700 0.044 0.000 0.780 163 V N -0.651 119.331 119.914 0.113 0.000 2.407 163 V HA -0.153 3.967 4.120 0.000 0.000 0.245 163 V C 2.265 178.455 176.094 0.160 0.000 1.041 163 V CA 1.269 63.664 62.300 0.158 0.000 1.040 163 V CB -0.920 31.082 31.823 0.298 0.000 0.671 163 V HN 0.055 nan 8.190 nan 0.000 0.455 164 I N 0.963 121.645 120.570 0.186 0.000 2.208 164 I HA -0.254 3.916 4.170 0.000 0.000 0.245 164 I C 2.690 178.854 176.117 0.079 0.000 1.097 164 I CA 1.579 62.964 61.300 0.142 0.000 1.363 164 I CB -0.590 37.478 38.000 0.114 0.000 1.051 164 I HN 0.298 nan 8.210 nan 0.000 0.413 165 A N 0.835 123.692 122.820 0.062 0.000 1.933 165 A HA -0.224 4.097 4.320 0.000 0.000 0.218 165 A C 2.489 180.098 177.584 0.042 0.000 1.175 165 A CA 2.109 54.173 52.037 0.045 0.000 0.628 165 A CB -0.782 18.241 19.000 0.039 0.000 0.814 165 A HN 0.546 nan 8.150 nan 0.000 0.444 166 S N 0.014 115.741 115.700 0.046 0.000 2.423 166 S HA -0.020 4.450 4.470 0.000 0.000 0.231 166 S C 1.466 176.083 174.600 0.028 0.000 1.014 166 S CA 1.245 59.465 58.200 0.034 0.000 0.965 166 S CB -0.624 62.593 63.200 0.029 0.000 0.785 166 S HN 0.464 nan 8.310 nan 0.000 0.495 167 L N 1.025 122.268 121.223 0.033 0.000 2.627 167 L HA 0.347 4.687 4.340 0.000 0.000 0.233 167 L C 1.835 178.721 176.870 0.027 0.000 1.144 167 L CA 0.290 55.145 54.840 0.025 0.000 0.892 167 L CB -0.890 41.185 42.059 0.026 0.000 1.039 167 L HN 0.586 nan 8.230 nan 0.000 0.442 168 G N 0.767 109.586 108.800 0.030 0.000 2.157 168 G HA2 -0.273 3.688 3.960 0.000 0.000 0.248 168 G HA3 -0.273 3.688 3.960 0.000 0.000 0.248 168 G C 0.207 175.124 174.900 0.028 0.000 0.979 168 G CA -0.210 44.907 45.100 0.028 0.000 0.650 168 G HN 0.308 nan 8.290 nan 0.000 0.529 169 I N 0.669 121.258 120.570 0.032 0.000 2.396 169 I HA 0.541 4.711 4.170 0.000 0.000 0.292 169 I C 1.365 177.500 176.117 0.029 0.000 0.999 169 I CA 0.086 61.404 61.300 0.031 0.000 1.310 169 I CB 1.675 39.698 38.000 0.037 0.000 1.404 169 I HN 0.110 nan 8.210 nan 0.000 0.496 170 A N 4.795 127.629 122.820 0.024 0.000 2.167 170 A HA 0.309 4.629 4.320 0.000 0.000 0.208 170 A C 0.566 178.161 177.584 0.019 0.000 1.198 170 A CA 0.386 52.436 52.037 0.021 0.000 0.863 170 A CB 0.333 19.344 19.000 0.019 0.000 0.904 170 A HN 0.750 nan 8.150 nan 0.000 0.484 171 E N -0.418 119.793 120.200 0.019 0.000 2.352 171 E HA 0.479 4.829 4.350 0.000 0.000 0.280 171 E C -1.745 174.865 176.600 0.016 0.000 0.930 171 E CA -0.530 55.879 56.400 0.015 0.000 0.765 171 E CB 2.696 32.405 29.700 0.014 0.000 1.219 171 E HN 0.296 nan 8.360 nan 0.000 0.434 172 V N -0.757 119.164 119.914 0.012 0.000 3.007 172 V HA 0.694 4.814 4.120 0.000 0.000 0.311 172 V C -2.811 173.287 176.094 0.006 0.000 1.120 172 V CA -2.533 59.774 62.300 0.011 0.000 0.980 172 V CB 1.922 33.751 31.823 0.010 0.000 1.033 172 V HN 0.473 nan 8.190 nan 0.000 0.429 173 P HA 0.380 nan 4.420 nan 0.000 0.276 173 P C -0.454 176.846 177.300 -0.001 0.000 1.243 173 P CA 0.062 63.165 63.100 0.005 0.000 0.768 173 P CB 1.372 33.077 31.700 0.008 0.000 0.856 174 V N 1.859 121.771 119.914 -0.004 0.000 2.960 174 V HA 0.534 4.654 4.120 0.000 0.000 0.315 174 V C 0.197 176.287 176.094 -0.006 0.000 1.087 174 V CA -1.458 60.835 62.300 -0.012 0.000 0.982 174 V CB 1.664 33.476 31.823 -0.018 0.000 1.039 174 V HN 0.274 nan 8.190 nan 0.000 0.437 175 I N 2.918 123.482 120.570 -0.009 0.000 2.634 175 I HA 0.299 4.469 4.170 0.000 0.000 0.284 175 I C 1.161 177.277 176.117 -0.002 0.000 1.124 175 I CA -0.125 61.173 61.300 -0.003 0.000 1.417 175 I CB 0.727 38.725 38.000 -0.004 0.000 1.396 175 I HN 0.906 nan 8.210 nan 0.000 0.571 176 R N 6.299 126.802 120.500 0.004 0.000 2.679 176 R HA 0.154 4.494 4.340 0.000 0.000 0.268 176 R C -0.504 175.800 176.300 0.006 0.000 1.044 176 R CA -0.471 55.633 56.100 0.006 0.000 1.105 176 R CB 0.417 30.723 30.300 0.010 0.000 0.989 176 R HN 0.433 nan 8.270 nan 0.000 0.447 177 K N 1.785 122.187 120.400 0.004 0.000 2.527 177 K HA -0.015 4.305 4.320 0.000 0.000 0.278 177 K C -0.228 176.378 176.600 0.010 0.000 0.981 177 K CA -0.126 56.163 56.287 0.003 0.000 1.009 177 K CB 0.536 33.038 32.500 0.002 0.000 0.895 177 K HN 0.339 nan 8.250 nan 0.000 0.493 178 V N 3.729 123.649 119.914 0.010 0.000 2.715 178 V HA 0.063 4.183 4.120 0.000 0.000 0.299 178 V C 0.579 176.684 176.094 0.018 0.000 1.054 178 V CA -0.017 62.296 62.300 0.022 0.000 1.077 178 V CB 0.706 32.542 31.823 0.022 0.000 0.972 178 V HN 0.645 nan 8.190 nan 0.000 0.484 179 R N 2.955 123.472 120.500 0.029 0.000 2.338 179 R HA 0.698 5.038 4.340 0.000 0.000 0.317 179 R C -1.426 174.892 176.300 0.030 0.000 0.968 179 R CA -0.502 55.612 56.100 0.023 0.000 0.849 179 R CB 1.870 32.186 30.300 0.026 0.000 1.128 179 R HN 0.529 nan 8.270 nan 0.000 0.448 180 V N 2.367 122.289 119.914 0.014 0.000 2.577 180 V HA 0.554 4.675 4.120 0.000 0.000 0.303 180 V C -0.244 175.850 176.094 -0.001 0.000 1.042 180 V CA -0.881 61.428 62.300 0.016 0.000 0.872 180 V CB 1.762 33.594 31.823 0.015 0.000 0.998 180 V HN 0.919 nan 8.190 nan 0.000 0.423 181 A N 5.226 128.047 122.820 0.002 0.000 2.282 181 A HA 0.954 5.274 4.320 0.000 0.000 0.319 181 A C -0.846 176.685 177.584 -0.087 0.000 1.121 181 A CA -0.626 51.408 52.037 -0.004 0.000 0.836 181 A CB 1.313 20.332 19.000 0.031 0.000 1.146 181 A HN 0.841 nan 8.150 nan 0.000 0.494 182 L N 2.323 123.496 121.223 -0.085 0.000 2.614 182 L HA 0.637 4.977 4.340 0.000 0.000 0.264 182 L C -1.930 174.917 176.870 -0.039 0.000 0.940 182 L CA -0.438 54.317 54.840 -0.141 0.000 0.903 182 L CB 1.455 43.501 42.059 -0.021 0.000 1.306 182 L HN 0.930 nan 8.230 nan 0.000 0.410 183 F N 1.536 121.478 119.950 -0.013 0.000 2.715 183 F HA 0.864 5.391 4.527 0.000 0.000 0.318 183 F C -0.675 175.125 175.800 -0.000 0.000 1.141 183 F CA -0.914 57.074 58.000 -0.020 0.000 0.950 183 F CB 1.511 40.472 39.000 -0.065 0.000 1.374 183 F HN 0.346 nan 8.300 nan 0.000 0.477 184 S N -0.603 115.315 115.700 0.364 0.000 2.627 184 S HA 0.838 5.308 4.470 0.000 0.000 0.283 184 S C -1.121 173.605 174.600 0.210 0.000 1.127 184 S CA -0.571 57.788 58.200 0.264 0.000 0.863 184 S CB 1.837 65.122 63.200 0.142 0.000 1.121 184 S HN 1.119 nan 8.310 nan 0.000 0.479 185 T N -0.590 114.067 114.554 0.173 0.000 2.903 185 T HA 0.805 5.155 4.350 0.000 0.000 0.299 185 T C -0.425 174.342 174.700 0.112 0.000 1.093 185 T CA 0.422 62.594 62.100 0.120 0.000 1.002 185 T CB 1.077 70.016 68.868 0.119 0.000 1.127 185 T HN 2.244 nan 8.240 nan 0.000 0.488 186 G N 2.898 111.759 108.800 0.101 0.000 2.634 186 G HA2 0.122 4.082 3.960 0.000 0.000 0.568 186 G HA3 0.122 4.082 3.960 0.000 0.000 0.568 186 G C -0.160 174.776 174.900 0.059 0.000 1.495 186 G CA -0.355 44.801 45.100 0.093 0.000 0.903 186 G HN 0.617 nan 8.290 nan 0.000 0.646 187 D N 0.449 120.879 120.400 0.050 0.000 2.178 187 D HA -0.067 4.574 4.640 0.000 0.000 0.202 187 D C 2.501 178.806 176.300 0.008 0.000 0.974 187 D CA 0.939 54.952 54.000 0.022 0.000 0.841 187 D CB 0.244 41.052 40.800 0.013 0.000 0.953 187 D HN 0.439 nan 8.370 nan 0.000 0.478 188 Q N -0.070 119.738 119.800 0.013 0.000 2.217 188 Q HA -0.105 4.235 4.340 0.000 0.000 0.209 188 Q C 0.636 176.621 176.000 -0.024 0.000 0.988 188 Q CA 0.637 56.437 55.803 -0.006 0.000 0.878 188 Q CB -0.153 28.590 28.738 0.008 0.000 0.909 188 Q HN 0.378 nan 8.270 nan 0.000 0.424 189 L N 1.664 122.886 121.223 -0.003 0.000 2.290 189 L HA 0.180 4.520 4.340 0.000 0.000 0.284 189 L C 0.194 177.060 176.870 -0.007 0.000 1.078 189 L CA -0.303 54.537 54.840 -0.001 0.000 0.815 189 L CB 0.824 42.903 42.059 0.032 0.000 1.162 189 L HN -0.022 nan 8.230 nan 0.000 0.435 190 Q N 2.694 122.478 119.800 -0.026 0.000 2.345 190 Q HA 0.505 4.845 4.340 0.000 0.000 0.268 190 Q C -1.014 175.083 176.000 0.161 0.000 1.054 190 Q CA -0.496 55.314 55.803 0.012 0.000 0.835 190 Q CB 2.063 30.733 28.738 -0.113 0.000 1.339 190 Q HN 0.475 nan 8.270 nan 0.000 0.447 191 L N 5.270 126.583 121.223 0.150 0.000 2.367 191 L HA 0.345 4.685 4.340 0.000 0.000 0.275 191 L C -1.969 175.020 176.870 0.197 0.000 1.129 191 L CA -1.751 53.175 54.840 0.145 0.000 0.839 191 L CB 0.694 42.794 42.059 0.068 0.000 1.133 191 L HN 0.539 nan 8.230 nan 0.000 0.453 192 P HA 0.091 nan 4.420 nan 0.000 0.262 192 P C 0.467 177.725 177.300 -0.071 0.000 1.199 192 P CA 0.639 63.615 63.100 -0.206 0.000 0.763 192 P CB 0.882 32.417 31.700 -0.275 0.000 0.790 193 G N 2.780 111.558 108.800 -0.036 0.000 1.745 193 G HA2 -0.110 3.850 3.960 0.000 0.000 0.063 193 G HA3 -0.110 3.850 3.960 0.000 0.000 0.063 193 G C -0.442 174.492 174.900 0.056 0.000 1.838 193 G CA -0.515 44.589 45.100 0.007 0.000 1.210 193 G HN 0.490 nan 8.290 nan 0.000 0.375 194 Q N 1.951 121.803 119.800 0.086 0.000 2.500 194 Q HA 0.489 4.829 4.340 0.000 0.000 0.215 194 Q C -2.108 173.975 176.000 0.138 0.000 1.062 194 Q CA -0.954 54.900 55.803 0.085 0.000 0.996 194 Q CB 0.700 29.474 28.738 0.059 0.000 1.239 194 Q HN 0.449 nan 8.270 nan 0.000 0.578 195 P HA 0.222 nan 4.420 nan 0.000 0.286 195 P C -1.266 176.041 177.300 0.013 0.000 1.292 195 P CA -0.599 62.555 63.100 0.089 0.000 0.842 195 P CB 0.819 32.550 31.700 0.051 0.000 1.207 196 L N 1.147 122.353 121.223 -0.028 0.000 2.407 196 L HA 0.390 4.730 4.340 0.000 0.000 0.261 196 L C 1.145 177.961 176.870 -0.088 0.000 1.108 196 L CA -0.082 54.673 54.840 -0.143 0.000 0.995 196 L CB -0.607 41.324 42.059 -0.213 0.000 1.349 196 L HN 0.589 nan 8.230 nan 0.000 0.423 197 G N 2.100 110.857 108.800 -0.071 0.000 2.518 197 G HA2 -0.180 3.781 3.960 0.000 0.000 0.467 197 G HA3 -0.180 3.781 3.960 0.000 0.000 0.467 197 G C 0.705 175.574 174.900 -0.051 0.000 1.268 197 G CA 0.090 45.160 45.100 -0.049 0.000 1.268 197 G HN 0.564 nan 8.290 nan 0.000 0.728 198 D N -0.139 120.239 120.400 -0.036 0.000 2.088 198 D HA -0.079 4.561 4.640 0.000 0.000 0.196 198 D C 2.557 178.837 176.300 -0.033 0.000 0.983 198 D CA 1.746 55.728 54.000 -0.029 0.000 0.846 198 D CB -0.774 40.014 40.800 -0.019 0.000 0.992 198 D HN 0.428 nan 8.370 nan 0.000 0.448 199 G N 0.377 109.159 108.800 -0.031 0.000 3.088 199 G HA2 -0.047 3.913 3.960 0.000 0.000 0.212 199 G HA3 -0.047 3.913 3.960 0.000 0.000 0.212 199 G C 0.616 175.487 174.900 -0.047 0.000 1.173 199 G CA -0.108 44.975 45.100 -0.029 0.000 0.779 199 G HN 0.185 nan 8.290 nan 0.000 0.540 200 Q N 0.016 119.771 119.800 -0.075 0.000 2.394 200 Q HA 0.473 4.813 4.340 0.000 0.000 0.248 200 Q C 0.047 175.943 176.000 -0.173 0.000 0.992 200 Q CA 0.201 55.935 55.803 -0.115 0.000 0.888 200 Q CB 1.477 30.129 28.738 -0.144 0.000 1.257 200 Q HN 0.490 nan 8.270 nan 0.000 0.462 201 I N -2.348 118.114 120.570 -0.181 0.000 3.206 201 I HA 0.436 4.606 4.170 0.000 0.000 0.313 201 I C -0.958 174.989 176.117 -0.284 0.000 1.103 201 I CA -1.459 59.711 61.300 -0.216 0.000 0.985 201 I CB 1.114 39.076 38.000 -0.063 0.000 1.240 201 I HN 0.433 nan 8.210 nan 0.000 0.464 202 Y N 0.319 120.616 120.300 -0.005 0.000 2.299 202 Y HA 0.213 4.763 4.550 0.000 0.000 0.326 202 Y C 0.120 176.008 175.900 -0.021 0.000 1.164 202 Y CA -0.236 57.855 58.100 -0.015 0.000 1.234 202 Y CB 0.818 39.264 38.460 -0.023 0.000 1.219 202 Y HN 0.495 nan 8.280 nan 0.000 0.497 203 D N 1.827 122.322 120.400 0.159 0.000 2.435 203 D HA 0.033 4.673 4.640 0.000 0.000 0.230 203 D C 0.861 177.180 176.300 0.031 0.000 1.215 203 D CA 0.020 54.064 54.000 0.073 0.000 0.947 203 D CB 0.570 41.407 40.800 0.061 0.000 1.048 203 D HN 0.711 nan 8.370 nan 0.000 0.512 204 T N 0.743 115.293 114.554 -0.006 0.000 3.010 204 T HA -0.050 4.300 4.350 0.000 0.000 0.252 204 T C 1.533 176.170 174.700 -0.106 0.000 1.047 204 T CA 0.088 62.139 62.100 -0.082 0.000 1.140 204 T CB -0.082 68.696 68.868 -0.150 0.000 0.885 204 T HN 0.094 nan 8.240 nan 0.000 0.464 205 N N 1.579 120.236 118.700 -0.072 0.000 2.149 205 N HA -0.043 4.697 4.740 0.000 0.000 0.188 205 N C 1.913 177.385 175.510 -0.063 0.000 1.019 205 N CA 1.127 54.138 53.050 -0.065 0.000 0.857 205 N CB -0.452 38.029 38.487 -0.010 0.000 0.997 205 N HN 0.488 nan 8.380 nan 0.000 0.426 206 R N 0.453 120.934 120.500 -0.032 0.000 2.092 206 R HA 0.011 4.351 4.340 0.000 0.000 0.231 206 R C 2.081 178.362 176.300 -0.032 0.000 1.119 206 R CA 0.615 56.704 56.100 -0.018 0.000 0.970 206 R CB -0.235 30.074 30.300 0.016 0.000 0.864 206 R HN 0.214 nan 8.270 nan 0.000 0.440 207 L N 0.328 121.515 121.223 -0.060 0.000 1.988 207 L HA -0.123 4.217 4.340 0.000 0.000 0.207 207 L C 2.317 179.146 176.870 -0.069 0.000 1.071 207 L CA 1.870 56.665 54.840 -0.074 0.000 0.744 207 L CB -0.926 41.076 42.059 -0.095 0.000 0.893 207 L HN 0.340 nan 8.230 nan 0.000 0.433 208 A N -0.157 122.596 122.820 -0.111 0.000 1.894 208 A HA -0.279 4.042 4.320 0.000 0.000 0.220 208 A C 2.221 179.669 177.584 -0.227 0.000 1.237 208 A CA 2.772 54.725 52.037 -0.139 0.000 0.660 208 A CB -1.263 17.650 19.000 -0.145 0.000 0.835 208 A HN 0.378 nan 8.150 nan 0.000 0.461 209 V N -0.481 119.268 119.914 -0.275 0.000 2.343 209 V HA -0.265 3.856 4.120 0.000 0.000 0.247 209 V C 2.534 178.447 176.094 -0.303 0.000 1.051 209 V CA 2.211 64.216 62.300 -0.491 0.000 1.036 209 V CB -0.994 30.604 31.823 -0.374 0.000 0.654 209 V HN 0.779 nan 8.190 nan 0.000 0.451 210 H N 0.029 118.974 119.070 -0.208 0.000 2.321 210 H HA -0.112 4.444 4.556 0.000 0.000 0.300 210 H C 2.238 177.492 175.328 -0.125 0.000 1.087 210 H CA 2.032 58.001 56.048 -0.130 0.000 1.319 210 H CB -0.057 29.653 29.762 -0.087 0.000 1.379 210 H HN 0.342 nan 8.280 nan 0.000 0.501 211 L N -0.092 121.161 121.223 0.049 0.000 2.017 211 L HA -0.238 4.102 4.340 0.000 0.000 0.208 211 L C 3.064 179.879 176.870 -0.093 0.000 1.073 211 L CA 1.292 56.130 54.840 -0.003 0.000 0.745 211 L CB -0.413 41.627 42.059 -0.031 0.000 0.894 211 L HN 0.259 nan 8.230 nan 0.000 0.432 212 M N -0.507 118.981 119.600 -0.187 0.000 2.065 212 M HA -0.255 4.225 4.480 0.000 0.000 0.259 212 M C 2.405 178.660 176.300 -0.075 0.000 1.071 212 M CA 1.889 57.081 55.300 -0.179 0.000 1.109 212 M CB -0.701 31.699 32.600 -0.334 0.000 1.313 212 M HN 0.202 nan 8.290 nan 0.000 0.408 213 L N -0.091 121.071 121.223 -0.101 0.000 2.021 213 L HA -0.280 4.060 4.340 0.000 0.000 0.215 213 L C 2.471 179.296 176.870 -0.075 0.000 1.074 213 L CA 1.660 56.480 54.840 -0.033 0.000 0.760 213 L CB -0.729 41.264 42.059 -0.111 0.000 0.889 213 L HN 0.401 nan 8.230 nan 0.000 0.433 214 E N -0.818 119.306 120.200 -0.127 0.000 2.077 214 E HA -0.226 4.124 4.350 0.000 0.000 0.193 214 E C 2.301 178.877 176.600 -0.041 0.000 0.989 214 E CA 0.925 57.270 56.400 -0.092 0.000 0.800 214 E CB 0.167 29.823 29.700 -0.073 0.000 0.746 214 E HN 0.385 nan 8.360 nan 0.000 0.452 215 Q N -0.060 119.718 119.800 -0.037 0.000 2.230 215 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 215 Q C 2.149 178.143 176.000 -0.010 0.000 0.963 215 Q CA 0.650 56.440 55.803 -0.021 0.000 0.866 215 Q CB -0.020 28.696 28.738 -0.036 0.000 0.931 215 Q HN 0.384 nan 8.270 nan 0.000 0.452 216 L N -0.366 120.849 121.223 -0.013 0.000 2.549 216 L HA -0.042 4.298 4.340 0.000 0.000 0.229 216 L C 1.114 177.979 176.870 -0.008 0.000 1.158 216 L CA 0.711 55.544 54.840 -0.012 0.000 0.842 216 L CB -0.518 41.541 42.059 0.000 0.000 0.952 216 L HN 0.369 nan 8.230 nan 0.000 0.452 217 G N -1.037 107.760 108.800 -0.005 0.000 2.136 217 G HA2 -0.256 3.704 3.960 0.000 0.000 0.242 217 G HA3 -0.256 3.704 3.960 0.000 0.000 0.242 217 G C 0.291 175.184 174.900 -0.010 0.000 0.989 217 G CA -0.011 45.089 45.100 -0.000 0.000 0.682 217 G HN 0.337 nan 8.290 nan 0.000 0.522 218 C N -0.145 119.143 119.300 -0.020 0.000 2.580 218 C HA 0.573 5.034 4.460 0.000 0.000 0.371 218 C C 1.011 175.978 174.990 -0.038 0.000 1.308 218 C CA -0.322 58.682 59.018 -0.024 0.000 2.428 218 C CB 1.170 28.896 27.740 -0.023 0.000 2.529 218 C HN 0.625 nan 8.230 nan 0.000 0.657 219 E N 0.586 120.770 120.200 -0.027 0.000 2.089 219 E HA 0.425 4.776 4.350 0.000 0.000 0.284 219 E C -0.970 175.602 176.600 -0.046 0.000 1.023 219 E CA -0.050 56.333 56.400 -0.028 0.000 0.819 219 E CB 0.498 30.194 29.700 -0.007 0.000 1.076 219 E HN 0.460 nan 8.360 nan 0.000 0.396 220 V N 6.380 126.241 119.914 -0.088 0.000 2.481 220 V HA 0.349 4.469 4.120 0.000 0.000 0.286 220 V C 0.162 176.237 176.094 -0.032 0.000 1.042 220 V CA -0.561 61.661 62.300 -0.129 0.000 0.928 220 V CB 1.368 32.956 31.823 -0.392 0.000 0.986 220 V HN 0.649 nan 8.190 nan 0.000 0.462 221 I N 4.244 124.815 120.570 0.003 0.000 2.464 221 I HA 0.319 4.489 4.170 0.000 0.000 0.277 221 I C 0.055 176.221 176.117 0.081 0.000 1.040 221 I CA -0.067 61.262 61.300 0.049 0.000 1.153 221 I CB 0.811 38.837 38.000 0.043 0.000 1.274 221 I HN 0.603 nan 8.210 nan 0.000 0.469 222 N N 5.234 124.010 118.700 0.127 0.000 2.415 222 N HA 0.200 4.940 4.740 0.000 0.000 0.246 222 N C 0.643 176.220 175.510 0.111 0.000 1.078 222 N CA -0.499 52.640 53.050 0.148 0.000 0.942 222 N CB 0.762 39.363 38.487 0.190 0.000 1.140 222 N HN 0.464 nan 8.380 nan 0.000 0.501 223 L N 3.001 124.306 121.223 0.137 0.000 2.599 223 L HA 0.301 4.641 4.340 0.000 0.000 0.230 223 L C 1.571 178.493 176.870 0.087 0.000 1.141 223 L CA 0.623 55.531 54.840 0.113 0.000 0.877 223 L CB -1.668 40.481 42.059 0.151 0.000 1.009 223 L HN 0.817 nan 8.230 nan 0.000 0.447 224 G N -0.126 108.735 108.800 0.102 0.000 2.542 224 G HA2 -0.252 3.709 3.960 0.000 0.000 0.235 224 G HA3 -0.252 3.709 3.960 0.000 0.000 0.235 224 G C -0.003 174.947 174.900 0.084 0.000 1.286 224 G CA -0.248 44.893 45.100 0.069 0.000 0.904 224 G HN 0.088 nan 8.290 nan 0.000 0.577 225 I N 1.458 122.058 120.570 0.051 0.000 2.371 225 I HA 0.355 4.525 4.170 0.000 0.000 0.290 225 I C 0.431 176.552 176.117 0.007 0.000 1.028 225 I CA -0.621 60.706 61.300 0.045 0.000 1.345 225 I CB 0.903 38.928 38.000 0.041 0.000 1.407 225 I HN 0.259 nan 8.210 nan 0.000 0.501 226 I N 5.938 126.496 120.570 -0.019 0.000 2.488 226 I HA 0.352 4.523 4.170 0.000 0.000 0.299 226 I C 0.654 176.766 176.117 -0.007 0.000 0.984 226 I CA -0.639 60.622 61.300 -0.065 0.000 1.250 226 I CB 1.272 39.148 38.000 -0.206 0.000 1.389 226 I HN 0.604 nan 8.210 nan 0.000 0.488 227 R N 2.627 123.123 120.500 -0.005 0.000 2.641 227 R HA 0.166 4.506 4.340 0.000 0.000 0.269 227 R C -0.694 175.631 176.300 0.042 0.000 1.074 227 R CA -0.752 55.354 56.100 0.009 0.000 1.133 227 R CB 0.400 30.692 30.300 -0.013 0.000 1.029 227 R HN 0.371 nan 8.270 nan 0.000 0.488 228 D N 1.663 122.084 120.400 0.035 0.000 2.429 228 D HA 0.060 4.700 4.640 0.000 0.000 0.253 228 D C -0.955 175.248 176.300 -0.163 0.000 1.294 228 D CA 0.921 54.941 54.000 0.032 0.000 1.063 228 D CB -0.194 40.612 40.800 0.010 0.000 1.096 228 D HN 0.449 nan 8.370 nan 0.000 0.516 229 D N 1.013 121.343 120.400 -0.117 0.000 2.804 229 D HA 0.168 4.808 4.640 0.000 0.000 0.209 229 D C -2.159 174.163 176.300 0.035 0.000 1.314 229 D CA -1.275 52.628 54.000 -0.161 0.000 0.894 229 D CB 1.595 42.336 40.800 -0.098 0.000 1.615 229 D HN -0.133 nan 8.370 nan 0.000 0.571 230 P HA -0.197 nan 4.420 nan 0.000 0.216 230 P C 0.654 178.166 177.300 0.354 0.000 1.154 230 P CA 1.318 64.602 63.100 0.307 0.000 0.865 230 P CB 0.116 31.990 31.700 0.289 0.000 0.789 231 H N -1.353 117.735 119.070 0.031 0.000 2.436 231 H HA 0.188 4.745 4.556 0.000 0.000 0.294 231 H C 1.967 177.305 175.328 0.016 0.000 1.048 231 H CA 0.832 56.892 56.048 0.019 0.000 1.353 231 H CB -1.186 28.575 29.762 -0.001 0.000 1.414 231 H HN 0.046 nan 8.280 nan 0.000 0.536 232 A N 1.212 124.114 122.820 0.137 0.000 1.873 232 A HA -0.089 4.231 4.320 0.000 0.000 0.215 232 A C 2.455 180.051 177.584 0.019 0.000 1.186 232 A CA 1.150 53.216 52.037 0.050 0.000 0.616 232 A CB -0.923 18.086 19.000 0.014 0.000 0.823 232 A HN 0.365 nan 8.150 nan 0.000 0.442 233 L N -1.104 120.164 121.223 0.076 0.000 2.012 233 L HA -0.213 4.127 4.340 0.000 0.000 0.210 233 L C 2.849 179.806 176.870 0.146 0.000 1.073 233 L CA 1.942 56.820 54.840 0.063 0.000 0.748 233 L CB -0.361 41.817 42.059 0.199 0.000 0.891 233 L HN 0.460 nan 8.230 nan 0.000 0.431 234 R N -0.630 119.961 120.500 0.152 0.000 2.073 234 R HA -0.191 4.149 4.340 0.000 0.000 0.234 234 R C 2.309 178.671 176.300 0.104 0.000 1.134 234 R CA 1.632 57.810 56.100 0.130 0.000 0.952 234 R CB -0.335 29.987 30.300 0.038 0.000 0.850 234 R HN 0.478 nan 8.270 nan 0.000 0.433 235 A N 0.645 123.494 122.820 0.049 0.000 1.883 235 A HA -0.192 4.128 4.320 0.000 0.000 0.217 235 A C 2.354 179.942 177.584 0.007 0.000 1.186 235 A CA 1.940 53.990 52.037 0.022 0.000 0.624 235 A CB -1.030 17.977 19.000 0.011 0.000 0.822 235 A HN 0.522 nan 8.150 nan 0.000 0.444 236 A N -1.268 121.510 122.820 -0.069 0.000 1.917 236 A HA -0.133 4.187 4.320 0.000 0.000 0.219 236 A C 2.031 179.566 177.584 -0.081 0.000 1.182 236 A CA 1.756 53.684 52.037 -0.181 0.000 0.633 236 A CB -0.842 17.830 19.000 -0.546 0.000 0.819 236 A HN 0.516 nan 8.150 nan 0.000 0.448 237 F N -0.528 119.414 119.950 -0.014 0.000 2.146 237 F HA -0.099 4.429 4.527 0.000 0.000 0.298 237 F C 2.139 177.960 175.800 0.036 0.000 1.096 237 F CA 1.481 59.526 58.000 0.075 0.000 1.275 237 F CB -0.248 38.755 39.000 0.005 0.000 1.008 237 F HN 0.117 nan 8.300 nan 0.000 0.480 238 I N -0.184 120.492 120.570 0.177 0.000 2.315 238 I HA -0.245 3.925 4.170 0.000 0.000 0.248 238 I C 2.392 178.552 176.117 0.071 0.000 1.117 238 I CA 1.456 62.812 61.300 0.092 0.000 1.404 238 I CB -0.266 37.761 38.000 0.044 0.000 1.071 238 I HN 0.097 nan 8.210 nan 0.000 0.419 239 E N 1.528 121.766 120.200 0.064 0.000 2.051 239 E HA -0.133 4.217 4.350 0.000 0.000 0.189 239 E C 2.119 178.758 176.600 0.065 0.000 0.979 239 E CA 1.553 57.982 56.400 0.048 0.000 0.803 239 E CB -0.298 29.420 29.700 0.030 0.000 0.761 239 E HN 0.326 nan 8.360 nan 0.000 0.451 240 A N 1.341 124.219 122.820 0.095 0.000 1.883 240 A HA -0.255 4.065 4.320 0.000 0.000 0.217 240 A C 2.232 179.875 177.584 0.100 0.000 1.186 240 A CA 2.017 54.123 52.037 0.115 0.000 0.624 240 A CB -1.113 17.998 19.000 0.184 0.000 0.822 240 A HN 0.567 nan 8.150 nan 0.000 0.444 241 D N -0.066 120.405 120.400 0.118 0.000 2.219 241 D HA -0.121 4.519 4.640 0.000 0.000 0.205 241 D C 1.889 178.211 176.300 0.035 0.000 0.970 241 D CA 1.622 55.671 54.000 0.083 0.000 0.851 241 D CB 0.047 40.899 40.800 0.086 0.000 0.943 241 D HN 0.528 nan 8.370 nan 0.000 0.488 242 S N -0.960 114.761 115.700 0.035 0.000 2.528 242 S HA 0.042 4.512 4.470 0.000 0.000 0.219 242 S C 1.626 176.237 174.600 0.018 0.000 0.985 242 S CA 0.044 58.254 58.200 0.016 0.000 0.914 242 S CB 0.486 63.695 63.200 0.014 0.000 0.776 242 S HN 0.122 nan 8.310 nan 0.000 0.526 243 Q N 0.588 120.406 119.800 0.030 0.000 2.317 243 Q HA 0.528 4.868 4.340 0.000 0.000 0.220 243 Q C 0.440 176.458 176.000 0.030 0.000 0.873 243 Q CA 0.447 56.267 55.803 0.028 0.000 0.936 243 Q CB 1.020 29.777 28.738 0.032 0.000 1.105 243 Q HN 0.670 nan 8.270 nan 0.000 0.520 244 A N 0.131 122.972 122.820 0.036 0.000 2.430 244 A HA 0.490 4.810 4.320 0.000 0.000 0.300 244 A C -0.182 177.431 177.584 0.047 0.000 1.124 244 A CA -0.542 51.521 52.037 0.043 0.000 0.766 244 A CB 1.170 20.201 19.000 0.051 0.000 1.328 244 A HN -0.109 nan 8.150 nan 0.000 0.424 245 D N -0.589 119.852 120.400 0.068 0.000 2.277 245 D HA 0.160 4.800 4.640 0.000 0.000 0.209 245 D C 0.157 176.559 176.300 0.170 0.000 0.970 245 D CA 1.377 55.440 54.000 0.106 0.000 0.874 245 D CB 0.502 41.375 40.800 0.123 0.000 0.982 245 D HN 0.224 nan 8.370 nan 0.000 0.504 246 V N 1.044 121.044 119.914 0.143 0.000 2.876 246 V HA 0.396 4.516 4.120 0.000 0.000 0.312 246 V C -0.266 175.890 176.094 0.104 0.000 1.085 246 V CA -0.893 61.509 62.300 0.170 0.000 0.945 246 V CB 3.000 34.916 31.823 0.155 0.000 1.017 246 V HN -0.269 nan 8.190 nan 0.000 0.428 247 V N 4.795 124.782 119.914 0.121 0.000 2.487 247 V HA 0.577 4.697 4.120 0.000 0.000 0.298 247 V C -0.561 175.503 176.094 -0.051 0.000 1.028 247 V CA -0.348 61.989 62.300 0.061 0.000 0.860 247 V CB 1.804 33.757 31.823 0.217 0.000 0.991 247 V HN 0.695 nan 8.190 nan 0.000 0.427 248 I N 3.328 123.761 120.570 -0.229 0.000 2.447 248 I HA 0.371 4.541 4.170 0.000 0.000 0.287 248 I C 0.088 175.945 176.117 -0.434 0.000 1.023 248 I CA -0.327 60.801 61.300 -0.286 0.000 1.083 248 I CB 2.136 40.073 38.000 -0.105 0.000 1.245 248 I HN 0.612 nan 8.210 nan 0.000 0.434 249 S N 3.404 118.896 115.700 -0.348 0.000 2.489 249 S HA 0.204 4.675 4.470 0.000 0.000 0.277 249 S C 0.992 175.558 174.600 -0.056 0.000 1.230 249 S CA -0.496 57.588 58.200 -0.192 0.000 1.053 249 S CB 0.815 64.119 63.200 0.172 0.000 0.955 249 S HN 0.706 nan 8.310 nan 0.000 0.488 250 S N 3.059 118.753 115.700 -0.011 0.000 2.556 250 S HA 0.529 4.999 4.470 0.000 0.000 0.216 250 S C 0.771 175.412 174.600 0.068 0.000 0.970 250 S CA -0.063 58.152 58.200 0.024 0.000 0.912 250 S CB -0.117 63.084 63.200 0.002 0.000 0.790 250 S HN 1.389 nan 8.310 nan 0.000 0.504 251 G N -1.270 107.591 108.800 0.102 0.000 2.322 251 G HA2 0.506 4.466 3.960 0.000 0.000 0.289 251 G HA3 0.506 4.466 3.960 0.000 0.000 0.289 251 G C 0.251 175.236 174.900 0.142 0.000 1.687 251 G CA -0.235 44.935 45.100 0.116 0.000 0.944 251 G HN 1.172 nan 8.290 nan 0.000 0.718 252 G N -1.304 107.578 108.800 0.136 0.000 2.254 252 G HA2 -0.019 3.941 3.960 0.000 0.000 0.225 252 G HA3 -0.019 3.941 3.960 0.000 0.000 0.225 252 G C 0.532 175.513 174.900 0.135 0.000 1.003 252 G CA 0.680 45.858 45.100 0.130 0.000 0.622 252 G HN 1.765 nan 8.290 nan 0.000 0.507 253 V N 1.849 121.878 119.914 0.192 0.000 2.567 253 V HA 0.649 4.769 4.120 0.000 0.000 0.289 253 V C 1.274 177.476 176.094 0.181 0.000 1.049 253 V CA 0.273 62.700 62.300 0.211 0.000 0.969 253 V CB 1.644 33.711 31.823 0.406 0.000 0.995 253 V HN 0.778 nan 8.190 nan 0.000 0.471 254 S N 3.027 118.797 115.700 0.116 0.000 2.549 254 S HA 0.103 4.573 4.470 0.000 0.000 0.286 254 S C 0.545 175.283 174.600 0.230 0.000 1.314 254 S CA -0.031 58.222 58.200 0.089 0.000 1.062 254 S CB 0.903 64.077 63.200 -0.042 0.000 0.865 254 S HN 1.035 nan 8.310 nan 0.000 0.498 255 V N 2.270 122.302 119.914 0.197 0.000 3.214 255 V HA 0.696 4.816 4.120 0.000 0.000 0.330 255 V C 1.140 177.378 176.094 0.241 0.000 1.403 255 V CA 0.394 62.881 62.300 0.313 0.000 1.143 255 V CB -0.501 31.464 31.823 0.236 0.000 1.098 255 V HN 1.117 nan 8.190 nan 0.000 0.463 256 G N -0.068 108.695 108.800 -0.061 0.000 3.819 256 G HA2 -0.084 3.876 3.960 0.000 0.000 0.210 256 G HA3 -0.084 3.876 3.960 0.000 0.000 0.210 256 G C 0.083 174.824 174.900 -0.265 0.000 1.018 256 G CA -0.053 44.878 45.100 -0.282 0.000 0.882 256 G HN 0.453 nan 8.290 nan 0.000 0.377 257 E N 1.164 121.296 120.200 -0.114 0.000 2.467 257 E HA 0.446 4.797 4.350 0.000 0.000 0.264 257 E C 0.651 177.173 176.600 -0.129 0.000 1.020 257 E CA 0.467 56.816 56.400 -0.084 0.000 0.945 257 E CB 0.757 30.444 29.700 -0.022 0.000 0.942 257 E HN 0.630 nan 8.360 nan 0.000 0.449 258 A N 3.886 126.649 122.820 -0.095 0.000 2.320 258 A HA 0.436 4.756 4.320 0.000 0.000 0.287 258 A C -0.691 176.866 177.584 -0.046 0.000 1.181 258 A CA -0.110 51.871 52.037 -0.093 0.000 0.831 258 A CB 0.207 19.168 19.000 -0.065 0.000 1.102 258 A HN 0.668 nan 8.150 nan 0.000 0.513 259 D N -0.150 120.221 120.400 -0.049 0.000 2.779 259 D HA 0.190 4.830 4.640 0.000 0.000 0.331 259 D C 0.417 176.726 176.300 0.016 0.000 1.331 259 D CA -0.084 53.925 54.000 0.014 0.000 0.866 259 D CB -0.096 40.724 40.800 0.033 0.000 1.409 259 D HN 0.449 nan 8.370 nan 0.000 0.486 260 Y N -1.020 119.280 120.300 0.001 0.000 2.207 260 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 260 Y C 2.199 178.104 175.900 0.010 0.000 1.156 260 Y CA 2.142 60.245 58.100 0.006 0.000 1.182 260 Y CB -1.385 37.084 38.460 0.016 0.000 0.979 260 Y HN 0.485 nan 8.280 nan 0.000 0.521 261 T N -1.458 112.658 114.554 -0.730 0.000 2.777 261 T HA -0.202 4.148 4.350 0.000 0.000 0.266 261 T C 1.843 176.415 174.700 -0.213 0.000 1.040 261 T CA 1.558 63.362 62.100 -0.494 0.000 1.141 261 T CB -0.515 68.097 68.868 -0.426 0.000 0.868 261 T HN 0.473 nan 8.240 nan 0.000 0.444 262 K N 1.077 121.379 120.400 -0.163 0.000 2.063 262 K HA -0.159 4.162 4.320 0.000 0.000 0.208 262 K C 2.551 179.094 176.600 -0.095 0.000 1.048 262 K CA 2.034 58.249 56.287 -0.120 0.000 0.928 262 K CB -0.498 31.881 32.500 -0.201 0.000 0.713 262 K HN 0.690 nan 8.250 nan 0.000 0.442 263 T N -0.596 113.906 114.554 -0.086 0.000 2.857 263 T HA -0.038 4.312 4.350 0.000 0.000 0.266 263 T C 1.961 176.608 174.700 -0.088 0.000 1.048 263 T CA 0.885 62.949 62.100 -0.062 0.000 1.139 263 T CB -0.314 68.539 68.868 -0.025 0.000 0.874 263 T HN 0.139 nan 8.240 nan 0.000 0.455 264 I N 0.821 121.325 120.570 -0.110 0.000 2.208 264 I HA -0.119 4.051 4.170 0.000 0.000 0.245 264 I C 2.580 178.512 176.117 -0.307 0.000 1.097 264 I CA 1.185 62.383 61.300 -0.169 0.000 1.363 264 I CB -0.386 37.527 38.000 -0.146 0.000 1.051 264 I HN 0.208 nan 8.210 nan 0.000 0.413 265 L N 0.364 121.382 121.223 -0.342 0.000 1.976 265 L HA -0.245 4.095 4.340 0.000 0.000 0.209 265 L C 2.555 179.248 176.870 -0.295 0.000 1.071 265 L CA 1.705 56.272 54.840 -0.454 0.000 0.746 265 L CB -0.481 41.421 42.059 -0.261 0.000 0.890 265 L HN 0.261 nan 8.230 nan 0.000 0.432 266 E N -0.524 119.596 120.200 -0.133 0.000 2.171 266 E HA -0.303 4.047 4.350 0.000 0.000 0.197 266 E C 1.932 178.461 176.600 -0.119 0.000 0.997 266 E CA 1.470 57.823 56.400 -0.079 0.000 0.810 266 E CB -0.034 29.658 29.700 -0.014 0.000 0.738 266 E HN 0.522 nan 8.360 nan 0.000 0.467 267 E N 0.649 120.762 120.200 -0.145 0.000 2.230 267 E HA -0.122 4.228 4.350 0.000 0.000 0.192 267 E C 1.849 178.350 176.600 -0.164 0.000 0.987 267 E CA 0.461 56.782 56.400 -0.133 0.000 0.841 267 E CB 0.150 29.783 29.700 -0.112 0.000 0.783 267 E HN 0.256 nan 8.360 nan 0.000 0.481 268 L N -0.066 121.013 121.223 -0.241 0.000 2.513 268 L HA 0.340 4.680 4.340 0.000 0.000 0.222 268 L C 1.143 177.869 176.870 -0.239 0.000 1.096 268 L CA 0.351 55.044 54.840 -0.246 0.000 0.857 268 L CB 0.815 42.674 42.059 -0.333 0.000 1.026 268 L HN 0.179 nan 8.230 nan 0.000 0.469 269 G N -1.118 107.525 108.800 -0.262 0.000 2.634 269 G HA2 0.317 4.277 3.960 0.000 0.000 0.309 269 G HA3 0.317 4.277 3.960 0.000 0.000 0.309 269 G C -1.476 173.301 174.900 -0.205 0.000 1.299 269 G CA -0.518 44.446 45.100 -0.226 0.000 0.798 269 G HN -0.150 nan 8.290 nan 0.000 0.490 270 E N 1.059 121.146 120.200 -0.190 0.000 2.014 270 E HA 0.347 4.697 4.350 0.000 0.000 0.275 270 E C -0.535 175.932 176.600 -0.222 0.000 0.997 270 E CA -0.384 55.921 56.400 -0.158 0.000 0.804 270 E CB 1.610 31.247 29.700 -0.105 0.000 1.090 270 E HN 0.178 nan 8.360 nan 0.000 0.401 271 I N 1.663 122.070 120.570 -0.272 0.000 2.441 271 I HA 0.425 4.595 4.170 0.000 0.000 0.295 271 I C 0.413 176.189 176.117 -0.569 0.000 0.994 271 I CA -1.281 59.741 61.300 -0.463 0.000 1.144 271 I CB 1.218 38.875 38.000 -0.571 0.000 1.314 271 I HN 0.318 nan 8.210 nan 0.000 0.445 272 A N 6.036 128.449 122.820 -0.678 0.000 2.306 272 A HA 0.823 5.143 4.320 0.000 0.000 0.330 272 A C -1.189 175.796 177.584 -0.998 0.000 1.146 272 A CA -0.341 51.301 52.037 -0.659 0.000 0.827 272 A CB 0.523 19.189 19.000 -0.557 0.000 1.178 272 A HN 0.467 nan 8.150 nan 0.000 0.490 273 F N 1.875 121.694 119.950 -0.217 0.000 2.434 273 F HA 0.352 4.879 4.527 0.000 0.000 0.367 273 F C -0.505 175.360 175.800 0.109 0.000 1.093 273 F CA -0.411 57.541 58.000 -0.081 0.000 1.085 273 F CB 0.973 39.972 39.000 -0.000 0.000 1.322 273 F HN 0.529 nan 8.300 nan 0.000 0.452 274 W N 2.586 124.023 121.300 0.229 0.000 2.359 274 W HA 0.531 5.191 4.660 0.000 0.000 0.344 274 W C -0.314 176.328 176.519 0.206 0.000 1.170 274 W CA -1.500 55.969 57.345 0.207 0.000 1.296 274 W CB 1.037 30.626 29.460 0.215 0.000 1.197 274 W HN 0.223 nan 8.180 nan 0.000 0.618 275 K N 2.355 122.996 120.400 0.402 0.000 2.413 275 K HA 0.464 4.784 4.320 0.000 0.000 0.257 275 K C -1.000 175.709 176.600 0.181 0.000 0.946 275 K CA -0.976 55.466 56.287 0.259 0.000 0.823 275 K CB 1.774 34.389 32.500 0.192 0.000 1.109 275 K HN -0.045 nan 8.250 nan 0.000 0.427 276 L N 1.754 123.073 121.223 0.160 0.000 2.334 276 L HA 0.421 4.761 4.340 0.000 0.000 0.275 276 L C 0.399 177.309 176.870 0.066 0.000 1.036 276 L CA -0.524 54.367 54.840 0.084 0.000 0.807 276 L CB 1.406 43.510 42.059 0.074 0.000 1.231 276 L HN 0.803 nan 8.230 nan 0.000 0.438 277 A N 5.384 128.225 122.820 0.034 0.000 3.091 277 A HA 0.496 4.816 4.320 0.000 0.000 0.264 277 A C 0.065 177.679 177.584 0.050 0.000 1.673 277 A CA -0.155 51.904 52.037 0.035 0.000 1.362 277 A CB -1.226 17.782 19.000 0.013 0.000 1.137 277 A HN 0.609 nan 8.150 nan 0.000 0.617 278 I N -2.791 117.825 120.570 0.076 0.000 3.042 278 I HA 0.805 4.975 4.170 0.000 0.000 0.310 278 I C -0.918 175.268 176.117 0.114 0.000 1.117 278 I CA -1.252 60.119 61.300 0.119 0.000 1.003 278 I CB 2.450 40.538 38.000 0.145 0.000 1.228 278 I HN 0.150 nan 8.210 nan 0.000 0.443 279 K N 4.062 124.550 120.400 0.147 0.000 2.523 279 K HA 0.593 4.913 4.320 0.000 0.000 0.257 279 K C -3.011 173.688 176.600 0.165 0.000 0.932 279 K CA -1.560 54.802 56.287 0.124 0.000 0.812 279 K CB 2.832 35.386 32.500 0.089 0.000 1.326 279 K HN 0.417 nan 8.250 nan 0.000 0.433 280 P HA 0.226 nan 4.420 nan 0.000 0.273 280 P C 0.147 177.507 177.300 0.099 0.000 1.250 280 P CA 0.580 63.744 63.100 0.106 0.000 0.793 280 P CB 0.491 32.253 31.700 0.103 0.000 1.011 281 G N -0.377 108.485 108.800 0.102 0.000 2.566 281 G HA2 -0.010 3.950 3.960 0.000 0.000 0.599 281 G HA3 -0.010 3.950 3.960 0.000 0.000 0.599 281 G C -0.216 174.750 174.900 0.111 0.000 1.292 281 G CA 0.403 45.566 45.100 0.105 0.000 0.922 281 G HN 0.860 nan 8.290 nan 0.000 0.514 282 K N -1.978 118.500 120.400 0.130 0.000 2.619 282 K HA 0.093 4.413 4.320 0.000 0.000 0.218 282 K C -2.638 174.082 176.600 0.200 0.000 2.664 282 K CA 0.649 57.021 56.287 0.142 0.000 1.426 282 K CB -0.354 32.222 32.500 0.127 0.000 2.917 282 K HN 0.642 nan 8.250 nan 0.000 0.403 283 P HA 0.337 nan 4.420 nan 0.000 0.288 283 P C -1.287 176.237 177.300 0.374 0.000 1.267 283 P CA 0.018 63.284 63.100 0.277 0.000 0.815 283 P CB 0.706 32.539 31.700 0.221 0.000 0.989 284 F N 1.597 121.675 119.950 0.213 0.000 2.641 284 F HA 0.661 5.188 4.527 0.000 0.000 0.308 284 F C -1.660 174.213 175.800 0.122 0.000 1.105 284 F CA -0.946 57.156 58.000 0.170 0.000 0.964 284 F CB 1.696 40.820 39.000 0.206 0.000 1.294 284 F HN 0.466 nan 8.300 nan 0.000 0.442 285 A N 4.492 126.915 122.820 -0.662 0.000 2.365 285 A HA 0.876 5.196 4.320 0.000 0.000 0.318 285 A C -2.196 174.809 177.584 -0.965 0.000 1.091 285 A CA -0.521 51.112 52.037 -0.672 0.000 0.763 285 A CB 1.201 20.035 19.000 -0.277 0.000 1.248 285 A HN 0.868 nan 8.150 nan 0.000 0.442 286 F N 0.687 120.074 119.950 -0.938 0.000 2.665 286 F HA 0.688 5.215 4.527 0.000 0.000 0.308 286 F C 0.014 175.562 175.800 -0.421 0.000 1.112 286 F CA 0.636 58.217 58.000 -0.698 0.000 0.972 286 F CB 1.777 40.326 39.000 -0.752 0.000 1.295 286 F HN 1.462 nan 8.300 nan 0.000 0.440 287 G N 3.673 111.647 108.800 -1.376 0.000 2.324 287 G HA2 0.249 4.209 3.960 0.000 0.000 0.293 287 G HA3 0.249 4.209 3.960 0.000 0.000 0.293 287 G C -2.273 172.382 174.900 -0.409 0.000 1.297 287 G CA -1.165 43.471 45.100 -0.774 0.000 0.853 287 G HN 0.659 nan 8.290 nan 0.000 0.535 288 K N 0.093 120.321 120.400 -0.286 0.000 2.156 288 K HA 0.680 5.000 4.320 0.000 0.000 0.271 288 K C 0.086 176.501 176.600 -0.309 0.000 0.995 288 K CA -0.500 55.549 56.287 -0.398 0.000 0.890 288 K CB 0.924 33.137 32.500 -0.478 0.000 1.073 288 K HN 0.392 nan 8.250 nan 0.000 0.454 289 L N 0.778 121.822 121.223 -0.299 0.000 2.578 289 L HA 0.253 4.593 4.340 0.000 0.000 0.259 289 L C 1.772 178.504 176.870 -0.229 0.000 1.082 289 L CA -0.588 54.118 54.840 -0.224 0.000 0.843 289 L CB 1.013 42.993 42.059 -0.131 0.000 1.535 289 L HN 0.681 nan 8.230 nan 0.000 0.510 290 S N 0.320 115.922 115.700 -0.164 0.000 2.359 290 S HA -0.107 4.363 4.470 0.000 0.000 0.224 290 S C 0.755 175.252 174.600 -0.171 0.000 1.035 290 S CA 1.483 59.595 58.200 -0.148 0.000 1.018 290 S CB -0.178 62.962 63.200 -0.100 0.000 0.876 290 S HN 0.597 nan 8.310 nan 0.000 0.448 291 N N 0.171 118.773 118.700 -0.164 0.000 2.466 291 N HA 0.217 4.957 4.740 0.000 0.000 0.272 291 N C -0.877 174.529 175.510 -0.174 0.000 1.455 291 N CA 0.090 53.047 53.050 -0.155 0.000 0.875 291 N CB 1.250 39.688 38.487 -0.082 0.000 1.372 291 N HN 0.329 nan 8.380 nan 0.000 0.492 292 S N -0.652 114.877 115.700 -0.285 0.000 2.597 292 S HA 0.521 4.991 4.470 0.000 0.000 0.274 292 S C -1.984 172.382 174.600 -0.390 0.000 1.132 292 S CA -0.815 57.249 58.200 -0.228 0.000 0.835 292 S CB 0.624 63.803 63.200 -0.035 0.000 1.092 292 S HN 0.174 nan 8.310 nan 0.000 0.457 293 W N 1.876 123.183 121.300 0.011 0.000 2.448 293 W HA 0.727 5.387 4.660 0.000 0.000 0.339 293 W C -0.409 176.132 176.519 0.036 0.000 1.124 293 W CA -0.686 56.639 57.345 -0.035 0.000 1.262 293 W CB 0.779 30.247 29.460 0.013 0.000 1.251 293 W HN 0.597 nan 8.180 nan 0.000 0.597 294 F N 2.449 122.420 119.950 0.034 0.000 2.507 294 F HA 0.661 5.188 4.527 0.000 0.000 0.325 294 F C -0.915 174.859 175.800 -0.045 0.000 1.116 294 F CA -1.444 56.541 58.000 -0.024 0.000 0.930 294 F CB 0.721 39.669 39.000 -0.085 0.000 1.146 294 F HN 0.275 nan 8.300 nan 0.000 0.447 295 C N 3.783 122.563 119.300 -0.866 0.000 2.441 295 C HA 0.839 5.299 4.460 0.000 0.000 0.318 295 C C 0.330 174.663 174.990 -1.095 0.000 1.222 295 C CA -0.952 57.585 59.018 -0.802 0.000 1.474 295 C CB 0.849 28.522 27.740 -0.113 0.000 2.125 295 C HN 1.104 nan 8.230 nan 0.000 0.479 296 G N 3.025 111.247 108.800 -0.964 0.000 2.605 296 G HA2 0.622 4.582 3.960 0.000 0.000 0.304 296 G HA3 0.622 4.582 3.960 0.000 0.000 0.304 296 G C -0.876 173.949 174.900 -0.126 0.000 1.333 296 G CA -0.261 44.559 45.100 -0.466 0.000 0.973 296 G HN 0.692 nan 8.290 nan 0.000 0.507 297 L N 3.649 124.902 121.223 0.049 0.000 2.360 297 L HA 0.485 4.825 4.340 0.000 0.000 0.271 297 L C -1.591 175.387 176.870 0.181 0.000 1.057 297 L CA -2.029 52.930 54.840 0.198 0.000 0.803 297 L CB 2.186 44.357 42.059 0.186 0.000 1.207 297 L HN 0.334 nan 8.230 nan 0.000 0.445 298 P HA 0.055 nan 4.420 nan 0.000 0.273 298 P C 0.221 177.606 177.300 0.141 0.000 1.250 298 P CA -0.278 62.924 63.100 0.170 0.000 0.793 298 P CB 0.767 32.572 31.700 0.175 0.000 1.011 299 G N 0.249 109.124 108.800 0.124 0.000 2.426 299 G HA2 -0.114 3.846 3.960 0.000 0.000 0.214 299 G HA3 -0.114 3.846 3.960 0.000 0.000 0.214 299 G C 0.694 175.655 174.900 0.103 0.000 1.156 299 G CA 0.154 45.317 45.100 0.105 0.000 0.802 299 G HN 0.640 nan 8.290 nan 0.000 0.534 300 N N 1.264 120.032 118.700 0.114 0.000 2.411 300 N HA 0.138 4.878 4.740 0.000 0.000 0.261 300 N C -1.353 174.245 175.510 0.147 0.000 1.248 300 N CA -0.880 52.246 53.050 0.125 0.000 0.885 300 N CB 1.464 40.030 38.487 0.130 0.000 1.062 300 N HN -0.113 nan 8.380 nan 0.000 0.471 301 P HA -0.179 nan 4.420 nan 0.000 0.215 301 P C 1.066 178.585 177.300 0.366 0.000 1.153 301 P CA 0.801 64.011 63.100 0.183 0.000 0.853 301 P CB 0.239 31.999 31.700 0.100 0.000 0.788 302 V N -0.564 119.591 119.914 0.402 0.000 2.379 302 V HA -0.184 3.936 4.120 0.000 0.000 0.245 302 V C 2.326 178.589 176.094 0.282 0.000 1.044 302 V CA 2.200 64.753 62.300 0.423 0.000 1.036 302 V CB -1.381 30.631 31.823 0.314 0.000 0.664 302 V HN 0.143 nan 8.190 nan 0.000 0.453 303 S N 0.564 116.389 115.700 0.208 0.000 2.368 303 S HA -0.159 4.311 4.470 0.000 0.000 0.225 303 S C 2.189 176.881 174.600 0.155 0.000 1.030 303 S CA 1.477 59.772 58.200 0.159 0.000 0.999 303 S CB -0.444 62.842 63.200 0.144 0.000 0.844 303 S HN 0.648 nan 8.310 nan 0.000 0.459 304 A N 1.236 124.157 122.820 0.169 0.000 1.929 304 A HA -0.037 4.284 4.320 0.000 0.000 0.216 304 A C 2.311 180.001 177.584 0.177 0.000 1.176 304 A CA 1.728 53.864 52.037 0.165 0.000 0.628 304 A CB -1.211 17.872 19.000 0.138 0.000 0.816 304 A HN 0.447 nan 8.150 nan 0.000 0.444 305 T N 0.478 115.135 114.554 0.172 0.000 2.652 305 T HA -0.139 4.211 4.350 0.000 0.000 0.267 305 T C 1.849 176.662 174.700 0.189 0.000 1.039 305 T CA 1.360 63.554 62.100 0.157 0.000 1.153 305 T CB -0.425 68.449 68.868 0.010 0.000 0.863 305 T HN 0.321 nan 8.240 nan 0.000 0.428 306 L N 0.746 122.049 121.223 0.133 0.000 2.013 306 L HA -0.205 4.135 4.340 0.000 0.000 0.212 306 L C 2.705 179.531 176.870 -0.074 0.000 1.073 306 L CA 1.849 56.684 54.840 -0.008 0.000 0.753 306 L CB -0.983 41.027 42.059 -0.083 0.000 0.890 306 L HN 0.384 nan 8.230 nan 0.000 0.432 307 T N -0.607 113.927 114.554 -0.033 0.000 2.788 307 T HA -0.247 4.104 4.350 0.000 0.000 0.268 307 T C 1.494 176.126 174.700 -0.112 0.000 1.044 307 T CA 1.592 63.608 62.100 -0.140 0.000 1.139 307 T CB -0.449 68.380 68.868 -0.064 0.000 0.867 307 T HN 0.326 nan 8.240 nan 0.000 0.454 308 F N 0.638 120.557 119.950 -0.051 0.000 2.113 308 F HA -0.084 4.443 4.527 0.000 0.000 0.297 308 F C 2.184 177.961 175.800 -0.037 0.000 1.103 308 F CA 0.938 58.921 58.000 -0.028 0.000 1.248 308 F CB -0.467 38.543 39.000 0.016 0.000 0.999 308 F HN 0.139 nan 8.300 nan 0.000 0.475 309 Y N 0.456 120.792 120.300 0.060 0.000 2.224 309 Y HA -0.220 4.330 4.550 0.000 0.000 0.289 309 Y C 2.226 177.993 175.900 -0.222 0.000 1.146 309 Y CA 1.749 59.837 58.100 -0.019 0.000 1.182 309 Y CB -0.081 38.454 38.460 0.125 0.000 0.983 309 Y HN 0.117 nan 8.280 nan 0.000 0.524 310 Q N -0.948 118.785 119.800 -0.111 0.000 2.391 310 Q HA 0.140 4.480 4.340 0.000 0.000 0.211 310 Q C 1.825 177.648 176.000 -0.295 0.000 0.908 310 Q CA 0.691 56.358 55.803 -0.226 0.000 0.920 310 Q CB 0.784 29.261 28.738 -0.435 0.000 1.056 310 Q HN 0.519 nan 8.270 nan 0.000 0.523 311 L N -1.348 119.648 121.223 -0.378 0.000 2.519 311 L HA 0.098 4.438 4.340 0.000 0.000 0.194 311 L C 2.061 178.693 176.870 -0.397 0.000 1.072 311 L CA 0.259 54.851 54.840 -0.413 0.000 0.845 311 L CB -0.152 41.537 42.059 -0.617 0.000 1.138 311 L HN -0.146 nan 8.230 nan 0.000 0.487 312 V N 0.200 119.832 119.914 -0.470 0.000 2.548 312 V HA -0.243 3.877 4.120 0.000 0.000 0.249 312 V C 2.356 178.071 176.094 -0.632 0.000 1.055 312 V CA 1.704 63.708 62.300 -0.494 0.000 1.065 312 V CB -0.438 31.045 31.823 -0.566 0.000 0.681 312 V HN 0.475 nan 8.190 nan 0.000 0.462 313 Q N 0.337 119.668 119.800 -0.781 0.000 2.020 313 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 313 Q C -0.144 175.637 176.000 -0.365 0.000 0.982 313 Q CA 2.197 57.639 55.803 -0.601 0.000 0.838 313 Q CB -0.869 27.509 28.738 -0.601 0.000 0.899 313 Q HN 0.503 nan 8.270 nan 0.000 0.423 314 P HA -0.152 nan 4.420 nan 0.000 0.217 314 P C 1.428 178.601 177.300 -0.212 0.000 1.150 314 P CA 0.966 63.928 63.100 -0.230 0.000 0.832 314 P CB -0.208 31.365 31.700 -0.211 0.000 0.787 315 L N -1.045 120.034 121.223 -0.240 0.000 2.046 315 L HA -0.159 4.181 4.340 0.000 0.000 0.208 315 L C 2.146 178.918 176.870 -0.165 0.000 1.077 315 L CA 1.642 56.353 54.840 -0.214 0.000 0.747 315 L CB -0.783 41.142 42.059 -0.224 0.000 0.896 315 L HN -0.134 nan 8.230 nan 0.000 0.432 316 L N -0.094 121.029 121.223 -0.167 0.000 2.083 316 L HA -0.156 4.185 4.340 0.000 0.000 0.209 316 L C 2.866 179.677 176.870 -0.098 0.000 1.083 316 L CA 1.026 55.799 54.840 -0.112 0.000 0.752 316 L CB -0.899 41.093 42.059 -0.113 0.000 0.899 316 L HN 0.374 nan 8.230 nan 0.000 0.433 317 A N 0.087 122.833 122.820 -0.124 0.000 1.898 317 A HA -0.237 4.083 4.320 0.000 0.000 0.216 317 A C 2.422 179.957 177.584 -0.082 0.000 1.181 317 A CA 1.909 53.886 52.037 -0.101 0.000 0.620 317 A CB -0.372 18.560 19.000 -0.113 0.000 0.819 317 A HN 0.331 nan 8.150 nan 0.000 0.442 318 K N -0.330 120.015 120.400 -0.093 0.000 2.031 318 K HA 0.026 4.346 4.320 0.000 0.000 0.205 318 K C 1.884 178.453 176.600 -0.052 0.000 1.049 318 K CA 1.015 57.257 56.287 -0.076 0.000 0.939 318 K CB -0.309 32.134 32.500 -0.096 0.000 0.717 318 K HN 0.432 nan 8.250 nan 0.000 0.438 319 L N 1.335 122.527 121.223 -0.051 0.000 2.081 319 L HA -0.227 4.113 4.340 0.000 0.000 0.212 319 L C 2.548 179.418 176.870 0.001 0.000 1.080 319 L CA 1.725 56.561 54.840 -0.005 0.000 0.754 319 L CB -0.574 41.495 42.059 0.017 0.000 0.893 319 L HN 0.395 nan 8.230 nan 0.000 0.433 320 S N -0.880 114.808 115.700 -0.020 0.000 2.481 320 S HA 0.002 4.472 4.470 0.000 0.000 0.231 320 S C 1.591 176.181 174.600 -0.016 0.000 0.996 320 S CA 0.823 59.013 58.200 -0.017 0.000 0.942 320 S CB 0.260 63.441 63.200 -0.032 0.000 0.768 320 S HN 0.603 nan 8.310 nan 0.000 0.520 321 G N 0.878 109.667 108.800 -0.019 0.000 2.179 321 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 321 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 321 G C -0.083 174.801 174.900 -0.027 0.000 0.990 321 G CA -0.069 45.020 45.100 -0.017 0.000 0.646 321 G HN 0.602 nan 8.290 nan 0.000 0.517 322 N N 1.624 120.301 118.700 -0.039 0.000 2.454 322 N HA 0.261 5.001 4.740 0.000 0.000 0.260 322 N C 1.425 176.911 175.510 -0.039 0.000 1.218 322 N CA 1.163 54.186 53.050 -0.046 0.000 0.904 322 N CB 0.883 39.336 38.487 -0.058 0.000 1.065 322 N HN 0.469 nan 8.380 nan 0.000 0.462 323 T N 0.204 114.738 114.554 -0.034 0.000 3.287 323 T HA 0.547 4.897 4.350 0.000 0.000 0.253 323 T C 0.126 174.809 174.700 -0.029 0.000 0.975 323 T CA -0.703 61.381 62.100 -0.027 0.000 0.912 323 T CB -0.161 68.697 68.868 -0.016 0.000 1.071 323 T HN 0.458 nan 8.240 nan 0.000 0.578 324 A N 0.561 123.359 122.820 -0.038 0.000 2.374 324 A HA 0.701 5.021 4.320 0.000 0.000 0.305 324 A C 0.066 177.622 177.584 -0.045 0.000 1.053 324 A CA -0.762 51.253 52.037 -0.037 0.000 0.726 324 A CB 1.391 20.368 19.000 -0.038 0.000 1.229 324 A HN 0.275 nan 8.150 nan 0.000 0.431 325 S N 1.464 117.139 115.700 -0.042 0.000 2.481 325 S HA 0.341 4.812 4.470 0.000 0.000 0.282 325 S C 0.874 175.442 174.600 -0.053 0.000 1.243 325 S CA 0.426 58.596 58.200 -0.050 0.000 1.078 325 S CB 0.421 63.595 63.200 -0.043 0.000 0.916 325 S HN 1.069 nan 8.310 nan 0.000 0.495 326 G N 3.533 112.287 108.800 -0.076 0.000 3.515 326 G HA2 0.536 4.496 3.960 0.000 0.000 0.288 326 G HA3 0.536 4.496 3.960 0.000 0.000 0.288 326 G C -0.605 174.233 174.900 -0.104 0.000 1.012 326 G CA -0.117 44.932 45.100 -0.086 0.000 1.689 326 G HN 0.593 nan 8.290 nan 0.000 0.572 327 L N 0.837 122.025 121.223 -0.059 0.000 2.789 327 L HA 0.434 4.774 4.340 0.000 0.000 0.258 327 L C -2.337 174.563 176.870 0.050 0.000 0.966 327 L CA -1.270 53.552 54.840 -0.030 0.000 0.916 327 L CB 2.265 44.306 42.059 -0.031 0.000 1.475 327 L HN 0.193 nan 8.230 nan 0.000 0.418 328 P HA 0.458 nan 4.420 nan 0.000 0.272 328 P C -1.351 176.019 177.300 0.118 0.000 1.254 328 P CA -0.391 62.794 63.100 0.141 0.000 0.795 328 P CB 0.471 32.305 31.700 0.224 0.000 1.022 329 A N 0.420 123.298 122.820 0.096 0.000 2.288 329 A HA 0.627 4.947 4.320 0.000 0.000 0.328 329 A C -0.135 177.498 177.584 0.082 0.000 1.123 329 A CA -0.730 51.351 52.037 0.073 0.000 0.861 329 A CB 0.968 19.994 19.000 0.043 0.000 1.272 329 A HN 0.442 nan 8.150 nan 0.000 0.490 330 R N 0.128 120.664 120.500 0.059 0.000 2.536 330 R HA 0.494 4.834 4.340 0.000 0.000 0.279 330 R C -0.610 175.704 176.300 0.022 0.000 1.001 330 R CA -0.480 55.652 56.100 0.053 0.000 1.027 330 R CB 1.260 31.586 30.300 0.043 0.000 1.096 330 R HN 0.891 nan 8.270 nan 0.000 0.502 331 Q N 1.189 120.999 119.800 0.017 0.000 2.389 331 Q HA 0.399 4.739 4.340 0.000 0.000 0.277 331 Q C -1.036 174.953 176.000 -0.018 0.000 1.082 331 Q CA -1.076 54.722 55.803 -0.009 0.000 0.810 331 Q CB 2.319 31.055 28.738 -0.003 0.000 1.374 331 Q HN 0.428 nan 8.270 nan 0.000 0.422 332 R N 1.493 121.959 120.500 -0.057 0.000 2.438 332 R HA 0.566 4.906 4.340 0.000 0.000 0.287 332 R C -1.331 174.972 176.300 0.005 0.000 1.077 332 R CA -0.146 55.913 56.100 -0.068 0.000 1.034 332 R CB 0.959 31.123 30.300 -0.227 0.000 0.993 332 R HN 0.567 nan 8.270 nan 0.000 0.459 333 V N 3.968 123.949 119.914 0.112 0.000 3.242 333 V HA 0.355 4.476 4.120 0.000 0.000 0.298 333 V C -0.925 175.318 176.094 0.248 0.000 1.352 333 V CA -0.909 61.493 62.300 0.169 0.000 1.052 333 V CB 2.601 34.470 31.823 0.076 0.000 1.101 333 V HN 0.828 nan 8.190 nan 0.000 0.446 334 R N 1.142 121.765 120.500 0.206 0.000 2.410 334 R HA 0.559 4.899 4.340 0.000 0.000 0.288 334 R C -0.465 175.853 176.300 0.030 0.000 1.051 334 R CA -0.418 55.739 56.100 0.094 0.000 1.021 334 R CB 1.300 31.593 30.300 -0.012 0.000 1.032 334 R HN 0.804 nan 8.270 nan 0.000 0.481 335 T N 0.416 114.971 114.554 0.001 0.000 2.907 335 T HA 0.233 4.583 4.350 0.000 0.000 0.298 335 T C 0.823 175.500 174.700 -0.038 0.000 1.017 335 T CA -0.638 61.450 62.100 -0.020 0.000 1.118 335 T CB 1.568 70.420 68.868 -0.027 0.000 0.948 335 T HN 0.689 nan 8.240 nan 0.000 0.531 336 A N 2.104 124.902 122.820 -0.036 0.000 2.500 336 A HA 0.552 4.872 4.320 0.000 0.000 0.267 336 A C 0.703 178.263 177.584 -0.040 0.000 1.290 336 A CA -0.489 51.523 52.037 -0.041 0.000 0.928 336 A CB 0.151 19.129 19.000 -0.037 0.000 1.066 336 A HN 0.626 nan 8.150 nan 0.000 0.516 337 S N -0.486 115.190 115.700 -0.040 0.000 2.548 337 S HA 0.519 4.989 4.470 0.000 0.000 0.286 337 S C -0.182 174.395 174.600 -0.039 0.000 1.098 337 S CA -0.745 57.432 58.200 -0.039 0.000 0.930 337 S CB 1.726 64.902 63.200 -0.040 0.000 1.070 337 S HN 0.595 nan 8.310 nan 0.000 0.480 338 R N 1.897 122.374 120.500 -0.038 0.000 2.491 338 R HA 0.400 4.740 4.340 0.000 0.000 0.283 338 R C -1.294 174.985 176.300 -0.035 0.000 1.072 338 R CA -0.069 56.009 56.100 -0.037 0.000 1.048 338 R CB 0.076 30.354 30.300 -0.036 0.000 0.983 338 R HN 0.572 nan 8.270 nan 0.000 0.450 339 L N 5.212 126.416 121.223 -0.032 0.000 2.319 339 L HA 0.404 4.744 4.340 0.000 0.000 0.281 339 L C -0.200 176.655 176.870 -0.025 0.000 1.005 339 L CA -0.835 53.988 54.840 -0.029 0.000 0.828 339 L CB 1.790 43.834 42.059 -0.026 0.000 1.227 339 L HN 0.562 nan 8.230 nan 0.000 0.415 340 K N 3.656 124.041 120.400 -0.026 0.000 2.378 340 K HA 0.269 4.589 4.320 0.000 0.000 0.288 340 K C -0.342 176.251 176.600 -0.011 0.000 1.057 340 K CA -0.087 56.188 56.287 -0.021 0.000 0.971 340 K CB 0.700 33.185 32.500 -0.026 0.000 0.975 340 K HN 0.292 nan 8.250 nan 0.000 0.475 341 K N 1.491 121.885 120.400 -0.010 0.000 2.498 341 K HA 0.300 4.620 4.320 0.000 0.000 0.254 341 K C -1.470 175.128 176.600 -0.004 0.000 0.933 341 K CA -0.458 55.825 56.287 -0.007 0.000 0.806 341 K CB 1.929 34.420 32.500 -0.015 0.000 1.301 341 K HN 0.312 nan 8.250 nan 0.000 0.432 342 T N 5.235 119.789 114.554 0.001 0.000 2.792 342 T HA 0.503 4.853 4.350 0.000 0.000 0.280 342 T C -2.619 172.082 174.700 0.002 0.000 0.990 342 T CA -1.436 60.667 62.100 0.004 0.000 0.960 342 T CB 1.523 70.399 68.868 0.014 0.000 0.939 342 T HN 0.466 nan 8.240 nan 0.000 0.439 343 P HA 0.406 nan 4.420 nan 0.000 0.270 343 P C 1.092 178.394 177.300 0.003 0.000 1.223 343 P CA 0.520 63.618 63.100 -0.003 0.000 0.785 343 P CB 0.475 32.173 31.700 -0.003 0.000 0.923 344 G N 0.494 109.294 108.800 0.000 0.000 2.376 344 G HA2 -0.162 3.798 3.960 0.000 0.000 0.208 344 G HA3 -0.162 3.798 3.960 0.000 0.000 0.208 344 G C 0.032 174.937 174.900 0.008 0.000 1.032 344 G CA -0.444 44.660 45.100 0.006 0.000 0.641 344 G HN 0.575 nan 8.290 nan 0.000 0.503 345 R N -0.136 120.369 120.500 0.007 0.000 2.621 345 R HA 0.579 4.920 4.340 0.000 0.000 0.292 345 R C -0.880 175.416 176.300 -0.007 0.000 0.969 345 R CA -0.961 55.147 56.100 0.014 0.000 0.887 345 R CB 2.324 32.645 30.300 0.035 0.000 1.180 345 R HN 0.261 nan 8.270 nan 0.000 0.450 346 L N 3.027 124.242 121.223 -0.013 0.000 2.530 346 L HA 0.110 4.450 4.340 0.000 0.000 0.273 346 L C -0.508 176.312 176.870 -0.084 0.000 1.141 346 L CA 0.461 55.252 54.840 -0.082 0.000 0.905 346 L CB 0.056 42.069 42.059 -0.077 0.000 1.202 346 L HN 0.428 nan 8.230 nan 0.000 0.473 347 D N 4.653 124.969 120.400 -0.139 0.000 2.280 347 D HA 0.202 4.842 4.640 0.000 0.000 0.236 347 D C -1.026 175.183 176.300 -0.152 0.000 1.082 347 D CA -0.114 53.855 54.000 -0.052 0.000 0.834 347 D CB 0.515 41.302 40.800 -0.021 0.000 1.100 347 D HN 0.350 nan 8.370 nan 0.000 0.486 348 F N 3.210 123.154 119.950 -0.010 0.000 2.359 348 F HA 0.240 4.767 4.527 0.000 0.000 0.355 348 F C 1.205 177.071 175.800 0.111 0.000 1.132 348 F CA -0.550 57.455 58.000 0.008 0.000 1.246 348 F CB 0.377 39.283 39.000 -0.157 0.000 1.569 348 F HN 0.136 nan 8.300 nan 0.000 0.561 349 Q N 1.522 121.433 119.800 0.185 0.000 2.396 349 Q HA 0.493 4.833 4.340 0.000 0.000 0.221 349 Q C -0.090 175.990 176.000 0.133 0.000 1.025 349 Q CA -0.624 55.248 55.803 0.115 0.000 0.946 349 Q CB 1.054 29.810 28.738 0.030 0.000 1.224 349 Q HN 0.448 nan 8.270 nan 0.000 0.539 350 R N -0.661 119.820 120.500 -0.031 0.000 2.589 350 R HA 0.686 5.026 4.340 0.000 0.000 0.293 350 R C -0.484 175.711 176.300 -0.175 0.000 0.963 350 R CA -0.265 55.743 56.100 -0.154 0.000 0.905 350 R CB 1.895 32.007 30.300 -0.314 0.000 1.144 350 R HN 0.710 nan 8.270 nan 0.000 0.459 351 G N 0.176 108.829 108.800 -0.245 0.000 2.694 351 G HA2 0.540 4.500 3.960 0.000 0.000 0.290 351 G HA3 0.540 4.500 3.960 0.000 0.000 0.290 351 G C -1.585 173.156 174.900 -0.264 0.000 1.386 351 G CA -0.539 44.439 45.100 -0.204 0.000 0.872 351 G HN 0.339 nan 8.290 nan 0.000 0.475 352 V N 1.057 120.861 119.914 -0.183 0.000 2.350 352 V HA 0.372 4.492 4.120 0.000 0.000 0.285 352 V C -0.690 175.327 176.094 -0.129 0.000 1.014 352 V CA -0.627 61.573 62.300 -0.168 0.000 0.831 352 V CB 1.158 32.911 31.823 -0.117 0.000 1.000 352 V HN 0.606 nan 8.190 nan 0.000 0.433 353 L N 6.864 128.004 121.223 -0.139 0.000 2.255 353 L HA 0.578 4.918 4.340 0.000 0.000 0.289 353 L C 0.003 176.832 176.870 -0.069 0.000 1.046 353 L CA 0.571 55.352 54.840 -0.097 0.000 0.816 353 L CB 0.871 42.864 42.059 -0.110 0.000 1.197 353 L HN 0.864 nan 8.230 nan 0.000 0.427 354 Q N 4.674 124.445 119.800 -0.047 0.000 2.544 354 Q HA 0.574 4.914 4.340 0.000 0.000 0.291 354 Q C -1.149 174.839 176.000 -0.020 0.000 1.068 354 Q CA -1.108 54.675 55.803 -0.034 0.000 0.785 354 Q CB 1.693 30.409 28.738 -0.036 0.000 1.481 354 Q HN 0.548 nan 8.270 nan 0.000 0.430 355 R N 1.329 121.820 120.500 -0.015 0.000 2.349 355 R HA 0.262 4.602 4.340 0.000 0.000 0.299 355 R C -0.139 176.156 176.300 -0.009 0.000 1.027 355 R CA -0.267 55.828 56.100 -0.008 0.000 0.958 355 R CB 0.679 30.977 30.300 -0.005 0.000 1.047 355 R HN 0.751 nan 8.270 nan 0.000 0.468 356 N N 1.321 120.017 118.700 -0.006 0.000 2.593 356 N HA 0.167 4.907 4.740 0.000 0.000 0.304 356 N C 0.408 175.915 175.510 -0.006 0.000 1.296 356 N CA -0.425 52.620 53.050 -0.008 0.000 0.950 356 N CB 0.146 38.627 38.487 -0.010 0.000 1.127 356 N HN 0.418 nan 8.380 nan 0.000 0.587 357 A N -1.331 121.484 122.820 -0.007 0.000 2.119 357 A HA -0.009 4.311 4.320 0.000 0.000 0.217 357 A C 0.403 177.985 177.584 -0.003 0.000 1.153 357 A CA 1.102 53.135 52.037 -0.006 0.000 0.692 357 A CB -0.732 18.263 19.000 -0.008 0.000 0.799 357 A HN 0.743 nan 8.150 nan 0.000 0.458 358 D N -1.333 119.066 120.400 -0.002 0.000 2.340 358 D HA 0.359 4.999 4.640 0.000 0.000 0.217 358 D C 1.188 177.491 176.300 0.005 0.000 1.081 358 D CA 0.821 54.821 54.000 0.001 0.000 0.842 358 D CB 0.230 41.031 40.800 0.001 0.000 0.934 358 D HN 0.429 nan 8.370 nan 0.000 0.511 359 G N 1.337 110.139 108.800 0.004 0.000 2.155 359 G HA2 -0.335 3.625 3.960 0.000 0.000 0.257 359 G HA3 -0.335 3.625 3.960 0.000 0.000 0.257 359 G C 0.085 174.991 174.900 0.010 0.000 0.983 359 G CA 0.374 45.477 45.100 0.006 0.000 0.676 359 G HN 0.534 nan 8.290 nan 0.000 0.528 360 E N -0.038 120.170 120.200 0.014 0.000 2.301 360 E HA 0.600 4.950 4.350 0.000 0.000 0.275 360 E C -0.082 176.529 176.600 0.020 0.000 1.030 360 E CA -1.178 55.236 56.400 0.024 0.000 0.852 360 E CB 1.656 31.378 29.700 0.036 0.000 1.060 360 E HN 0.130 nan 8.360 nan 0.000 0.401 361 L N 3.249 124.487 121.223 0.026 0.000 2.361 361 L HA 0.108 4.448 4.340 0.000 0.000 0.278 361 L C -0.064 176.821 176.870 0.025 0.000 1.113 361 L CA 0.644 55.495 54.840 0.018 0.000 0.849 361 L CB 0.130 42.199 42.059 0.017 0.000 1.155 361 L HN 0.752 nan 8.230 nan 0.000 0.452 362 E N 3.932 124.136 120.200 0.007 0.000 2.392 362 E HA 0.714 5.064 4.350 0.000 0.000 0.269 362 E C -1.561 175.029 176.600 -0.016 0.000 0.924 362 E CA -1.069 55.334 56.400 0.004 0.000 0.784 362 E CB 1.833 31.531 29.700 -0.005 0.000 1.292 362 E HN 0.233 nan 8.360 nan 0.000 0.447 363 V N -0.065 119.837 119.914 -0.019 0.000 2.581 363 V HA 0.579 4.699 4.120 0.000 0.000 0.303 363 V C -0.185 175.882 176.094 -0.045 0.000 1.041 363 V CA -0.641 61.635 62.300 -0.041 0.000 0.907 363 V CB 1.211 33.008 31.823 -0.042 0.000 0.994 363 V HN 0.809 nan 8.190 nan 0.000 0.442 364 T N 1.615 116.133 114.554 -0.059 0.000 2.942 364 T HA 0.480 4.830 4.350 0.000 0.000 0.289 364 T C -0.023 174.636 174.700 -0.069 0.000 1.044 364 T CA -0.392 61.674 62.100 -0.057 0.000 1.023 364 T CB 1.865 70.700 68.868 -0.056 0.000 1.123 364 T HN 0.861 nan 8.240 nan 0.000 0.512 365 T N 0.835 115.352 114.554 -0.062 0.000 2.913 365 T HA 0.306 4.657 4.350 0.000 0.000 0.287 365 T C 1.707 176.362 174.700 -0.075 0.000 1.008 365 T CA -0.097 61.962 62.100 -0.069 0.000 1.067 365 T CB 0.679 69.515 68.868 -0.053 0.000 0.996 365 T HN 0.799 nan 8.240 nan 0.000 0.513 366 T N 0.884 115.381 114.554 -0.095 0.000 3.035 366 T HA 0.384 4.734 4.350 0.000 0.000 0.268 366 T C 1.224 175.889 174.700 -0.058 0.000 1.109 366 T CA 0.800 62.843 62.100 -0.095 0.000 1.119 366 T CB -0.361 68.422 68.868 -0.142 0.000 0.900 366 T HN 1.145 nan 8.240 nan 0.000 0.503 367 G N 0.220 108.996 108.800 -0.040 0.000 2.225 367 G HA2 0.010 3.970 3.960 0.000 0.000 0.203 367 G HA3 0.010 3.970 3.960 0.000 0.000 0.203 367 G C -0.827 174.097 174.900 0.040 0.000 1.335 367 G CA -0.468 44.631 45.100 -0.001 0.000 1.183 367 G HN 0.704 nan 8.290 nan 0.000 0.488 368 H N 1.305 120.349 119.070 -0.043 0.000 2.964 368 H HA 0.340 4.896 4.556 0.000 0.000 0.328 368 H C 0.814 176.084 175.328 -0.097 0.000 1.030 368 H CA 0.058 56.081 56.048 -0.042 0.000 1.445 368 H CB 0.753 30.516 29.762 0.003 0.000 1.449 368 H HN 0.277 nan 8.280 nan 0.000 0.581 369 Q N 3.722 123.700 119.800 0.297 0.000 2.220 369 Q HA 0.164 4.505 4.340 0.000 0.000 0.205 369 Q C 0.671 176.657 176.000 -0.024 0.000 0.865 369 Q CA 0.049 55.886 55.803 0.057 0.000 0.960 369 Q CB 0.914 29.683 28.738 0.051 0.000 1.097 369 Q HN 0.767 nan 8.270 nan 0.000 0.493 370 G N 0.697 109.382 108.800 -0.192 0.000 2.599 370 G HA2 0.195 4.155 3.960 0.000 0.000 0.264 370 G HA3 0.195 4.155 3.960 0.000 0.000 0.264 370 G C 0.613 175.275 174.900 -0.398 0.000 1.200 370 G CA -0.013 44.893 45.100 -0.324 0.000 0.896 370 G HN 0.231 nan 8.290 nan 0.000 0.536 371 S N -1.324 114.262 115.700 -0.189 0.000 2.597 371 S HA 0.006 4.476 4.470 0.000 0.000 0.224 371 S C 1.318 175.924 174.600 0.010 0.000 0.955 371 S CA 0.388 58.559 58.200 -0.049 0.000 0.933 371 S CB -0.453 62.778 63.200 0.053 0.000 0.788 371 S HN 0.845 nan 8.310 nan 0.000 0.488 372 H N 0.991 120.063 119.070 0.003 0.000 2.539 372 H HA 0.426 4.982 4.556 0.000 0.000 0.267 372 H C 0.503 175.854 175.328 0.039 0.000 0.982 372 H CA -0.177 55.881 56.048 0.018 0.000 1.146 372 H CB -0.259 29.489 29.762 -0.024 0.000 1.382 372 H HN 0.644 nan 8.280 nan 0.000 0.577 373 I N -4.519 116.031 120.570 -0.034 0.000 2.969 373 I HA 0.295 4.465 4.170 0.000 0.000 0.307 373 I C -0.536 175.668 176.117 0.145 0.000 1.149 373 I CA -1.280 60.078 61.300 0.097 0.000 1.008 373 I CB 1.755 39.770 38.000 0.025 0.000 1.232 373 I HN -0.183 nan 8.210 nan 0.000 0.435 374 F N 1.601 121.588 119.950 0.060 0.000 2.717 374 F HA 0.049 4.576 4.527 0.000 0.000 0.297 374 F C 2.411 178.285 175.800 0.123 0.000 1.113 374 F CA 0.984 59.072 58.000 0.146 0.000 1.319 374 F CB 0.446 39.536 39.000 0.151 0.000 1.097 374 F HN 0.676 nan 8.300 nan 0.000 0.595 375 S N -0.293 115.475 115.700 0.114 0.000 2.407 375 S HA -0.312 4.158 4.470 0.000 0.000 0.235 375 S C 2.302 176.836 174.600 -0.110 0.000 1.036 375 S CA 1.554 59.770 58.200 0.028 0.000 1.013 375 S CB -1.437 61.782 63.200 0.032 0.000 0.820 375 S HN 0.509 nan 8.310 nan 0.000 0.476 376 S N 1.621 117.172 115.700 -0.249 0.000 2.402 376 S HA -0.139 4.331 4.470 0.000 0.000 0.233 376 S C 1.533 175.858 174.600 -0.458 0.000 1.030 376 S CA 1.186 59.166 58.200 -0.367 0.000 1.003 376 S CB -1.187 61.744 63.200 -0.447 0.000 0.813 376 S HN 0.570 nan 8.310 nan 0.000 0.477 377 F N 1.653 121.362 119.950 -0.402 0.000 2.171 377 F HA -0.002 4.525 4.527 0.000 0.000 0.300 377 F C 3.173 178.846 175.800 -0.211 0.000 1.090 377 F CA 1.165 58.852 58.000 -0.521 0.000 1.293 377 F CB -0.616 37.801 39.000 -0.971 0.000 1.013 377 F HN 0.328 nan 8.300 nan 0.000 0.486 378 S N 0.119 115.845 115.700 0.044 0.000 2.377 378 S HA -0.051 4.419 4.470 0.000 0.000 0.223 378 S C 1.982 176.609 174.600 0.046 0.000 1.030 378 S CA 0.795 59.046 58.200 0.086 0.000 0.970 378 S CB -0.317 62.939 63.200 0.093 0.000 0.830 378 S HN 0.280 nan 8.310 nan 0.000 0.473 379 L N 0.828 122.044 121.223 -0.012 0.000 2.217 379 L HA 0.193 4.533 4.340 0.000 0.000 0.211 379 L C 1.508 178.332 176.870 -0.076 0.000 1.107 379 L CA 0.384 55.201 54.840 -0.038 0.000 0.783 379 L CB -0.612 41.411 42.059 -0.059 0.000 0.919 379 L HN 0.308 nan 8.230 nan 0.000 0.442 380 G N -0.285 108.451 108.800 -0.105 0.000 2.502 380 G HA2 0.248 4.208 3.960 0.000 0.000 0.305 380 G HA3 0.248 4.208 3.960 0.000 0.000 0.305 380 G C 0.095 174.783 174.900 -0.352 0.000 1.190 380 G CA -0.305 44.644 45.100 -0.252 0.000 0.933 380 G HN 0.323 nan 8.290 nan 0.000 0.503 381 N N -2.167 116.134 118.700 -0.665 0.000 2.240 381 N HA 0.160 4.900 4.740 0.000 0.000 0.240 381 N C -0.109 174.662 175.510 -1.232 0.000 1.277 381 N CA -0.010 52.601 53.050 -0.731 0.000 0.873 381 N CB -0.336 37.990 38.487 -0.268 0.000 1.222 381 N HN 0.822 nan 8.380 nan 0.000 0.507 382 C N -2.408 115.809 119.300 -1.805 0.000 3.275 382 C HA 0.706 5.166 4.460 0.000 0.000 0.345 382 C C -1.330 173.167 174.990 -0.821 0.000 1.257 382 C CA -1.699 56.660 59.018 -1.098 0.000 1.203 382 C CB -0.158 27.326 27.740 -0.427 0.000 1.492 382 C HN 0.056 nan 8.230 nan 0.000 0.484 383 F N 1.271 121.208 119.950 -0.021 0.000 2.385 383 F HA 0.691 5.218 4.527 0.000 0.000 0.336 383 F C 0.560 176.365 175.800 0.008 0.000 1.100 383 F CA -0.591 57.470 58.000 0.101 0.000 1.116 383 F CB 1.060 40.243 39.000 0.306 0.000 1.166 383 F HN 0.416 nan 8.300 nan 0.000 0.511 384 I N 3.293 123.961 120.570 0.164 0.000 2.307 384 I HA 0.199 4.370 4.170 0.000 0.000 0.289 384 I C -0.683 175.435 176.117 0.003 0.000 1.021 384 I CA -0.395 60.936 61.300 0.052 0.000 1.224 384 I CB 1.055 39.057 38.000 0.003 0.000 1.376 384 I HN 0.228 nan 8.210 nan 0.000 0.470 385 V N 8.039 127.914 119.914 -0.065 0.000 2.221 385 V HA 0.234 4.354 4.120 0.000 0.000 0.258 385 V C 0.313 176.255 176.094 -0.253 0.000 1.179 385 V CA -0.386 61.738 62.300 -0.293 0.000 1.022 385 V CB -0.206 31.449 31.823 -0.280 0.000 1.228 385 V HN 0.487 nan 8.190 nan 0.000 0.487 386 L N 3.512 124.598 121.223 -0.228 0.000 2.319 386 L HA 0.339 4.679 4.340 0.000 0.000 0.280 386 L C 0.714 177.490 176.870 -0.157 0.000 1.099 386 L CA -0.420 54.334 54.840 -0.143 0.000 0.828 386 L CB 0.653 42.657 42.059 -0.091 0.000 1.150 386 L HN 0.490 nan 8.230 nan 0.000 0.442 387 E N 1.789 121.923 120.200 -0.110 0.000 2.436 387 E HA -0.067 4.283 4.350 0.000 0.000 0.262 387 E C 0.975 177.529 176.600 -0.077 0.000 1.063 387 E CA 0.149 56.492 56.400 -0.095 0.000 0.944 387 E CB 0.492 30.156 29.700 -0.060 0.000 0.950 387 E HN 0.367 nan 8.360 nan 0.000 0.444 388 R N 1.726 122.185 120.500 -0.067 0.000 2.083 388 R HA -0.191 4.149 4.340 0.000 0.000 0.237 388 R C 0.338 176.620 176.300 -0.030 0.000 1.137 388 R CA 1.936 58.008 56.100 -0.046 0.000 0.951 388 R CB 0.066 30.344 30.300 -0.037 0.000 0.851 388 R HN 0.558 nan 8.270 nan 0.000 0.434 389 D N -0.238 120.146 120.400 -0.027 0.000 2.339 389 D HA -0.032 4.609 4.640 0.000 0.000 0.217 389 D C 0.370 176.660 176.300 -0.017 0.000 1.050 389 D CA 0.046 54.035 54.000 -0.018 0.000 0.856 389 D CB -0.030 40.761 40.800 -0.015 0.000 0.922 389 D HN 0.137 nan 8.370 nan 0.000 0.518 390 R N 0.785 121.272 120.500 -0.022 0.000 2.643 390 R HA 0.346 4.686 4.340 0.000 0.000 0.270 390 R C 0.777 177.068 176.300 -0.016 0.000 1.061 390 R CA 0.040 56.129 56.100 -0.018 0.000 1.107 390 R CB 0.676 30.962 30.300 -0.024 0.000 0.999 390 R HN 0.013 nan 8.270 nan 0.000 0.460 391 G N 1.753 110.546 108.800 -0.012 0.000 2.736 391 G HA2 0.140 4.100 3.960 0.000 0.000 0.229 391 G HA3 0.140 4.100 3.960 0.000 0.000 0.229 391 G C -0.654 174.238 174.900 -0.013 0.000 1.380 391 G CA -0.772 44.322 45.100 -0.011 0.000 1.040 391 G HN 0.664 nan 8.290 nan 0.000 0.568 392 N N -1.163 117.529 118.700 -0.013 0.000 2.297 392 N HA 0.233 4.973 4.740 0.000 0.000 0.232 392 N C -0.545 174.953 175.510 -0.019 0.000 1.311 392 N CA 0.178 53.218 53.050 -0.017 0.000 0.897 392 N CB 1.167 39.643 38.487 -0.018 0.000 1.137 392 N HN 0.125 nan 8.380 nan 0.000 0.449 393 V N 0.731 120.632 119.914 -0.022 0.000 2.525 393 V HA 0.201 4.321 4.120 0.000 0.000 0.299 393 V C -0.302 175.773 176.094 -0.031 0.000 1.034 393 V CA -0.855 61.431 62.300 -0.024 0.000 0.863 393 V CB 1.861 33.673 31.823 -0.019 0.000 0.999 393 V HN 0.477 nan 8.190 nan 0.000 0.423 394 E N 2.457 122.634 120.200 -0.038 0.000 2.283 394 E HA 0.452 4.802 4.350 0.000 0.000 0.271 394 E C -0.191 176.375 176.600 -0.055 0.000 1.031 394 E CA -0.798 55.575 56.400 -0.045 0.000 0.868 394 E CB 1.960 31.633 29.700 -0.046 0.000 1.094 394 E HN 0.371 nan 8.360 nan 0.000 0.401 395 V N 1.669 121.550 119.914 -0.055 0.000 2.681 395 V HA 0.141 4.262 4.120 0.000 0.000 0.306 395 V C 1.581 177.623 176.094 -0.088 0.000 1.077 395 V CA 2.031 64.292 62.300 -0.064 0.000 1.224 395 V CB -0.144 31.644 31.823 -0.057 0.000 0.879 395 V HN 1.036 nan 8.190 nan 0.000 0.494 396 G N 3.260 111.995 108.800 -0.109 0.000 2.284 396 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 396 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 396 G C 0.030 174.785 174.900 -0.241 0.000 1.009 396 G CA 0.048 45.047 45.100 -0.168 0.000 0.625 396 G HN 0.707 nan 8.290 nan 0.000 0.501 397 E N -0.011 120.085 120.200 -0.173 0.000 2.383 397 E HA 0.357 4.707 4.350 0.000 0.000 0.264 397 E C -0.008 176.542 176.600 -0.082 0.000 1.050 397 E CA -0.630 55.663 56.400 -0.177 0.000 0.896 397 E CB 0.600 30.257 29.700 -0.072 0.000 0.982 397 E HN 0.466 nan 8.360 nan 0.000 0.424 398 W N 1.343 122.629 121.300 -0.024 0.000 2.170 398 W HA 0.278 4.938 4.660 0.000 0.000 0.342 398 W C 0.003 176.504 176.519 -0.029 0.000 1.294 398 W CA -0.460 56.870 57.345 -0.025 0.000 1.246 398 W CB 0.507 29.953 29.460 -0.023 0.000 1.156 398 W HN 0.157 nan 8.180 nan 0.000 0.572 399 V N 2.431 122.484 119.914 0.232 0.000 2.969 399 V HA 0.156 4.276 4.120 0.000 0.000 0.304 399 V C -0.728 175.401 176.094 0.059 0.000 1.192 399 V CA -1.065 61.295 62.300 0.100 0.000 0.962 399 V CB 2.132 33.992 31.823 0.060 0.000 1.045 399 V HN 0.373 nan 8.190 nan 0.000 0.428 400 E N 2.813 123.023 120.200 0.016 0.000 2.259 400 E HA 0.517 4.867 4.350 0.000 0.000 0.281 400 E C -0.896 175.711 176.600 0.011 0.000 1.027 400 E CA -0.076 56.324 56.400 0.000 0.000 0.838 400 E CB 2.078 31.763 29.700 -0.024 0.000 1.066 400 E HN 0.357 nan 8.360 nan 0.000 0.401 401 V N 2.522 122.453 119.914 0.028 0.000 2.769 401 V HA 0.275 4.395 4.120 0.000 0.000 0.312 401 V C -0.424 175.722 176.094 0.087 0.000 1.061 401 V CA -0.598 61.730 62.300 0.046 0.000 0.931 401 V CB 2.143 33.976 31.823 0.017 0.000 1.010 401 V HN 0.641 nan 8.190 nan 0.000 0.433 402 E N 5.964 126.257 120.200 0.156 0.000 2.279 402 E HA 0.441 4.791 4.350 0.000 0.000 0.252 402 E C -2.794 173.943 176.600 0.228 0.000 0.894 402 E CA -1.993 54.544 56.400 0.229 0.000 0.785 402 E CB 2.394 32.312 29.700 0.362 0.000 1.237 402 E HN 0.381 nan 8.360 nan 0.000 0.418 403 P HA -0.031 nan 4.420 nan 0.000 0.266 403 P C -0.619 176.866 177.300 0.309 0.000 1.193 403 P CA 0.123 63.281 63.100 0.096 0.000 0.770 403 P CB 0.159 31.915 31.700 0.094 0.000 0.836 404 F N 2.454 122.468 119.950 0.108 0.000 2.529 404 F HA 0.084 4.611 4.527 0.000 0.000 0.365 404 F C 1.532 177.497 175.800 0.274 0.000 1.102 404 F CA -0.544 57.591 58.000 0.225 0.000 1.271 404 F CB -0.472 38.632 39.000 0.173 0.000 1.120 404 F HN 0.356 nan 8.300 nan 0.000 0.579 405 N N 1.644 120.671 118.700 0.544 0.000 2.443 405 N HA 0.326 5.066 4.740 0.000 0.000 0.294 405 N C 0.675 176.319 175.510 0.223 0.000 1.289 405 N CA 0.011 53.244 53.050 0.306 0.000 0.966 405 N CB -0.210 38.408 38.487 0.218 0.000 1.122 405 N HN 0.438 nan 8.380 nan 0.000 0.569 406 A N -0.730 122.161 122.820 0.119 0.000 2.121 406 A HA 0.047 4.367 4.320 0.000 0.000 0.218 406 A C 2.107 179.698 177.584 0.011 0.000 1.154 406 A CA 0.565 52.650 52.037 0.080 0.000 0.679 406 A CB -1.064 17.970 19.000 0.056 0.000 0.795 406 A HN 0.607 nan 8.150 nan 0.000 0.458 407 L N -2.300 118.869 121.223 -0.090 0.000 2.263 407 L HA -0.148 4.193 4.340 0.000 0.000 0.216 407 L C 1.478 178.075 176.870 -0.456 0.000 1.111 407 L CA 1.235 55.880 54.840 -0.324 0.000 0.773 407 L CB -0.442 41.303 42.059 -0.524 0.000 0.906 407 L HN 0.521 nan 8.230 nan 0.000 0.439 408 F N -1.268 118.722 119.950 0.068 0.000 2.798 408 F HA 0.436 4.963 4.527 0.000 0.000 0.328 408 F C 1.137 177.014 175.800 0.128 0.000 1.098 408 F CA 0.049 58.067 58.000 0.030 0.000 1.172 408 F CB 1.074 39.960 39.000 -0.189 0.000 1.072 408 F HN 0.053 nan 8.300 nan 0.000 0.555 409 G N 0.000 108.957 108.800 0.262 0.000 5.446 409 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 409 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 409 G CA 0.000 45.220 45.100 0.200 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925