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 3hq1_1_A DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIX XXXXXXKGGV AYIMKTDHGL SLPRRLQIEF SQVIQKIXXX DATA SEQUENCE XXXXXXEVSP KEMWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AMSAGDDAQA DATA SEQUENCE AAYVEASVTI XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAA 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.690 174.700 -0.016 0.000 1.109 18 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 18 T CB 0.000 68.850 68.868 -0.031 0.000 0.612 19 I N 2.511 123.072 120.570 -0.015 0.000 2.452 19 I HA 0.394 4.561 4.170 -0.005 0.000 0.287 19 I C -0.151 175.959 176.117 -0.012 0.000 1.079 19 I CA -0.395 60.898 61.300 -0.011 0.000 1.387 19 I CB 0.926 38.921 38.000 -0.008 0.000 1.404 19 I HN 0.200 nan 8.210 nan 0.000 0.522 20 V N 7.037 126.946 119.914 -0.009 0.000 2.384 20 V HA 0.198 4.315 4.120 -0.005 0.000 0.287 20 V C 0.332 176.422 176.094 -0.007 0.000 1.020 20 V CA -1.012 61.282 62.300 -0.009 0.000 0.850 20 V CB 1.521 33.340 31.823 -0.008 0.000 0.987 20 V HN 0.662 nan 8.190 nan 0.000 0.436 21 K N 6.001 126.397 120.400 -0.007 0.000 2.472 21 K HA 0.110 4.427 4.320 -0.005 0.000 0.280 21 K C -2.229 174.368 176.600 -0.004 0.000 1.028 21 K CA -0.888 55.396 56.287 -0.005 0.000 1.045 21 K CB 0.386 32.883 32.500 -0.005 0.000 0.902 21 K HN 0.392 nan 8.250 nan 0.000 0.478 22 P HA -0.076 nan 4.420 nan 0.000 0.262 22 P C -0.951 176.346 177.300 -0.004 0.000 1.182 22 P CA 0.303 63.401 63.100 -0.003 0.000 0.761 22 P CB 1.028 32.727 31.700 -0.002 0.000 0.795 23 A N 2.948 125.766 122.820 -0.004 0.000 2.671 23 A HA 0.455 4.773 4.320 -0.005 0.000 0.265 23 A C 0.938 178.519 177.584 -0.006 0.000 1.148 23 A CA 0.235 52.269 52.037 -0.005 0.000 0.977 23 A CB -0.084 18.913 19.000 -0.005 0.000 1.242 23 A HN 0.588 nan 8.150 nan 0.000 0.591 24 G N 0.713 109.509 108.800 -0.006 0.000 2.572 24 G HA2 0.488 4.445 3.960 -0.005 0.000 0.261 24 G HA3 0.488 4.445 3.960 -0.005 0.000 0.261 24 G C -2.877 172.017 174.900 -0.010 0.000 1.197 24 G CA -1.308 43.788 45.100 -0.007 0.000 0.870 24 G HN 0.082 nan 8.290 nan 0.000 0.548 25 P HA 0.127 nan 4.420 nan 0.000 0.265 25 P C -2.159 175.128 177.300 -0.021 0.000 1.193 25 P CA -0.536 62.554 63.100 -0.016 0.000 0.765 25 P CB 0.158 31.849 31.700 -0.016 0.000 0.823 26 P HA 0.057 nan 4.420 nan 0.000 0.267 26 P C 0.222 177.498 177.300 -0.040 0.000 1.201 26 P CA 0.277 63.353 63.100 -0.040 0.000 0.775 26 P CB 0.252 31.920 31.700 -0.054 0.000 0.854 27 R N 1.883 122.357 120.500 -0.045 0.000 2.679 27 R HA 0.293 4.630 4.340 -0.005 0.000 0.268 27 R C 0.463 176.733 176.300 -0.048 0.000 1.044 27 R CA -0.126 55.950 56.100 -0.040 0.000 1.105 27 R CB -1.137 29.140 30.300 -0.039 0.000 0.989 27 R HN 0.570 nan 8.270 nan 0.000 0.447 28 V N 0.642 120.533 119.914 -0.038 0.000 2.617 28 V HA 0.462 4.579 4.120 -0.005 0.000 0.304 28 V C 1.587 177.651 176.094 -0.049 0.000 1.040 28 V CA 0.480 62.757 62.300 -0.039 0.000 1.149 28 V CB 0.218 32.025 31.823 -0.027 0.000 0.914 28 V HN 2.226 nan 8.190 nan 0.000 0.487 29 G N 2.193 110.957 108.800 -0.060 0.000 2.179 29 G HA2 -0.314 3.644 3.960 -0.005 0.000 0.260 29 G HA3 -0.314 3.644 3.960 -0.005 0.000 0.260 29 G C 0.344 175.176 174.900 -0.113 0.000 0.977 29 G CA 0.540 45.598 45.100 -0.071 0.000 0.641 29 G HN 1.347 nan 8.290 nan 0.000 0.533 30 Q N 1.331 121.055 119.800 -0.127 0.000 2.263 30 Q HA 0.369 4.706 4.340 -0.005 0.000 0.289 30 Q C -1.812 174.010 176.000 -0.296 0.000 1.061 30 Q CA -1.052 54.636 55.803 -0.192 0.000 0.927 30 Q CB 0.415 29.061 28.738 -0.153 0.000 1.154 30 Q HN 0.284 nan 8.270 nan 0.000 0.378 31 P HA -0.081 nan 4.420 nan 0.000 0.266 31 P C 0.233 177.135 177.300 -0.664 0.000 1.195 31 P CA 0.156 62.791 63.100 -0.774 0.000 0.768 31 P CB 0.833 31.512 31.700 -1.703 0.000 0.838 32 S N 2.366 117.798 115.700 -0.447 0.000 2.402 32 S HA -0.170 4.297 4.470 -0.005 0.000 0.233 32 S C 1.422 175.950 174.600 -0.120 0.000 1.030 32 S CA 0.851 58.925 58.200 -0.209 0.000 1.003 32 S CB -1.070 62.089 63.200 -0.069 0.000 0.813 32 S HN 0.726 nan 8.310 nan 0.000 0.477 33 W N 1.453 122.755 121.300 0.003 0.000 3.180 33 W HA 0.398 5.057 4.660 -0.001 0.000 0.254 33 W C 0.221 176.742 176.519 0.003 0.000 1.318 33 W CA -0.406 56.940 57.345 0.003 0.000 1.608 33 W CB -0.785 28.677 29.460 0.003 0.000 1.124 33 W HN 0.250 nan 8.180 nan 0.000 0.694 34 N N 2.818 121.449 118.700 -0.114 0.000 2.626 34 N HA 0.192 4.929 4.740 -0.005 0.000 0.242 34 N C -2.037 173.438 175.510 -0.058 0.000 1.005 34 N CA -2.296 50.727 53.050 -0.046 0.000 0.905 34 N CB 1.433 39.782 38.487 -0.230 0.000 1.128 34 N HN -0.210 nan 8.380 nan 0.000 0.512 35 P HA 0.081 nan 4.420 nan 0.000 0.257 35 P C -0.292 177.005 177.300 -0.006 0.000 1.325 35 P CA 0.117 63.214 63.100 -0.005 0.000 0.850 35 P CB 0.281 31.992 31.700 0.019 0.000 1.324 36 Q N 0.810 120.606 119.800 -0.006 0.000 2.395 36 Q HA 0.125 4.463 4.340 -0.005 0.000 0.271 36 Q C 0.323 176.314 176.000 -0.015 0.000 1.026 36 Q CA 0.250 56.050 55.803 -0.004 0.000 0.900 36 Q CB 0.570 29.309 28.738 0.001 0.000 1.266 36 Q HN 0.069 nan 8.270 nan 0.000 0.430 37 R N 0.558 121.053 120.500 -0.009 0.000 2.732 37 R HA 0.546 4.883 4.340 -0.005 0.000 0.278 37 R C -0.693 175.602 176.300 -0.009 0.000 0.976 37 R CA -0.854 55.239 56.100 -0.011 0.000 0.963 37 R CB 1.128 31.424 30.300 -0.008 0.000 1.150 37 R HN 0.714 nan 8.270 nan 0.000 0.478 38 A N 1.488 124.302 122.820 -0.009 0.000 2.511 38 A HA 0.206 4.523 4.320 -0.005 0.000 0.242 38 A C 0.707 178.289 177.584 -0.002 0.000 1.069 38 A CA 0.018 52.052 52.037 -0.005 0.000 0.763 38 A CB -0.014 18.983 19.000 -0.005 0.000 1.001 38 A HN 0.790 nan 8.150 nan 0.000 0.498 39 S N 1.258 116.959 115.700 0.001 0.000 2.655 39 S HA 0.396 4.863 4.470 -0.005 0.000 0.265 39 S C 0.837 175.441 174.600 0.006 0.000 1.240 39 S CA 0.081 58.283 58.200 0.002 0.000 0.986 39 S CB 1.056 64.258 63.200 0.002 0.000 0.985 39 S HN 1.518 nan 8.310 nan 0.000 0.562 40 S N 0.189 115.894 115.700 0.007 0.000 2.582 40 S HA 0.299 4.766 4.470 -0.005 0.000 0.234 40 S C 0.525 175.136 174.600 0.019 0.000 0.961 40 S CA -0.618 57.588 58.200 0.011 0.000 0.953 40 S CB -0.684 62.520 63.200 0.007 0.000 0.800 40 S HN 0.670 nan 8.310 nan 0.000 0.471 41 M N 3.353 122.965 119.600 0.021 0.000 2.249 41 M HA 0.183 4.660 4.480 -0.005 0.000 0.340 41 M C -2.099 174.236 176.300 0.059 0.000 1.166 41 M CA -1.176 54.145 55.300 0.034 0.000 1.115 41 M CB -0.078 32.535 32.600 0.021 0.000 1.606 41 M HN 0.008 nan 8.290 nan 0.000 0.448 42 P HA 0.066 nan 4.420 nan 0.000 0.230 42 P C 0.852 178.262 177.300 0.182 0.000 1.791 42 P CA -0.106 63.058 63.100 0.107 0.000 1.020 42 P CB -0.625 31.134 31.700 0.098 0.000 1.977 43 V N 0.075 120.078 119.914 0.147 0.000 2.594 43 V HA -0.241 3.876 4.120 -0.005 0.000 0.253 43 V C 1.786 177.985 176.094 0.175 0.000 1.069 43 V CA 2.005 64.419 62.300 0.190 0.000 1.082 43 V CB -1.600 30.283 31.823 0.100 0.000 0.680 43 V HN 0.276 nan 8.190 nan 0.000 0.469 44 N N 1.426 120.175 118.700 0.082 0.000 2.571 44 N HA -0.129 4.608 4.740 -0.005 0.000 0.189 44 N C 1.605 177.084 175.510 -0.052 0.000 1.154 44 N CA 1.011 54.076 53.050 0.024 0.000 0.907 44 N CB -0.814 37.676 38.487 0.005 0.000 0.977 44 N HN 0.599 nan 8.380 nan 0.000 0.449 45 R N -1.082 119.341 120.500 -0.128 0.000 2.313 45 R HA 0.119 4.456 4.340 -0.005 0.000 0.199 45 R C -0.360 175.464 176.300 -0.794 0.000 0.958 45 R CA 0.333 56.158 56.100 -0.459 0.000 1.047 45 R CB -0.064 29.871 30.300 -0.610 0.000 0.955 45 R HN 0.284 nan 8.270 nan 0.000 0.481 46 Y N -0.168 120.137 120.300 0.008 0.000 2.442 46 Y HA 0.439 4.986 4.550 -0.006 0.000 0.344 46 Y C 0.076 175.985 175.900 0.014 0.000 0.976 46 Y CA -1.148 56.961 58.100 0.014 0.000 1.040 46 Y CB 1.650 40.122 38.460 0.020 0.000 1.228 46 Y HN -0.288 nan 8.280 nan 0.000 0.451 47 R N 2.100 122.685 120.500 0.142 0.000 2.778 47 R HA 0.561 4.898 4.340 -0.005 0.000 0.277 47 R C -2.687 173.672 176.300 0.099 0.000 0.977 47 R CA -2.056 54.092 56.100 0.079 0.000 0.950 47 R CB 1.166 31.479 30.300 0.021 0.000 1.165 47 R HN 0.387 nan 8.270 nan 0.000 0.474 48 P HA -0.079 nan 4.420 nan 0.000 0.267 48 P C 0.125 177.497 177.300 0.119 0.000 1.201 48 P CA 0.033 63.196 63.100 0.106 0.000 0.775 48 P CB 0.353 32.100 31.700 0.079 0.000 0.854 49 F N 2.751 122.716 119.950 0.024 0.000 2.120 49 F HA -0.252 4.272 4.527 -0.004 0.000 0.300 49 F C 2.112 177.913 175.800 0.001 0.000 1.095 49 F CA 2.119 60.128 58.000 0.015 0.000 1.249 49 F CB -0.663 38.345 39.000 0.015 0.000 0.995 49 F HN 0.358 nan 8.300 nan 0.000 0.480 50 A N -0.575 122.280 122.820 0.059 0.000 2.024 50 A HA -0.245 4.072 4.320 -0.005 0.000 0.220 50 A C 2.203 179.709 177.584 -0.130 0.000 1.164 50 A CA 1.918 53.928 52.037 -0.044 0.000 0.643 50 A CB -0.842 18.187 19.000 0.047 0.000 0.806 50 A HN 0.633 nan 8.150 nan 0.000 0.451 51 E N -0.884 119.256 120.200 -0.099 0.000 2.140 51 E HA -0.120 4.227 4.350 -0.005 0.000 0.191 51 E C 1.914 178.431 176.600 -0.139 0.000 0.973 51 E CA 0.827 57.172 56.400 -0.092 0.000 0.829 51 E CB -0.043 29.633 29.700 -0.041 0.000 0.781 51 E HN 0.525 nan 8.360 nan 0.000 0.466 52 E N -0.118 119.976 120.200 -0.176 0.000 2.072 52 E HA -0.107 4.240 4.350 -0.005 0.000 0.191 52 E C 1.427 177.857 176.600 -0.285 0.000 0.985 52 E CA 1.462 57.750 56.400 -0.187 0.000 0.801 52 E CB 0.294 29.911 29.700 -0.138 0.000 0.750 52 E HN 0.163 nan 8.360 nan 0.000 0.452 53 V N -0.696 118.914 119.914 -0.507 0.000 3.949 53 V HA 0.270 4.387 4.120 -0.005 0.000 0.195 53 V C 0.136 176.007 176.094 -0.371 0.000 1.114 53 V CA 0.468 62.460 62.300 -0.513 0.000 1.384 53 V CB 0.140 31.441 31.823 -0.871 0.000 1.685 53 V HN 0.407 nan 8.190 nan 0.000 0.492 54 E N 0.750 120.704 120.200 -0.410 0.000 2.401 54 E HA 0.411 4.758 4.350 -0.005 0.000 0.280 54 E C -3.198 173.324 176.600 -0.130 0.000 1.039 54 E CA -1.669 54.602 56.400 -0.216 0.000 0.814 54 E CB 2.003 31.598 29.700 -0.175 0.000 1.275 54 E HN 0.254 nan 8.360 nan 0.000 0.448 55 P HA 0.214 nan 4.420 nan 0.000 0.274 55 P C 0.110 177.406 177.300 -0.006 0.000 1.256 55 P CA -0.376 62.724 63.100 0.001 0.000 0.795 55 P CB 0.607 32.304 31.700 -0.005 0.000 1.038 56 I N 1.584 122.176 120.570 0.036 0.000 2.668 56 I HA -0.014 4.153 4.170 -0.005 0.000 0.285 56 I C 1.821 177.919 176.117 -0.032 0.000 1.168 56 I CA 0.402 61.715 61.300 0.021 0.000 1.424 56 I CB 0.167 38.212 38.000 0.074 0.000 1.377 56 I HN 0.315 nan 8.210 nan 0.000 0.560 57 R N 3.966 124.392 120.500 -0.125 0.000 2.280 57 R HA 0.160 4.497 4.340 -0.005 0.000 0.195 57 R C -0.030 176.292 176.300 0.037 0.000 0.935 57 R CA -0.185 55.810 56.100 -0.174 0.000 1.033 57 R CB 0.188 30.114 30.300 -0.623 0.000 0.964 57 R HN 0.408 nan 8.270 nan 0.000 0.489 58 L N 1.935 123.229 121.223 0.118 0.000 2.305 58 L HA 0.214 4.551 4.340 -0.005 0.000 0.281 58 L C -0.445 176.527 176.870 0.171 0.000 1.085 58 L CA -0.014 54.984 54.840 0.264 0.000 0.813 58 L CB 0.624 42.854 42.059 0.285 0.000 1.157 58 L HN -0.092 nan 8.230 nan 0.000 0.436 59 R N 3.657 124.256 120.500 0.164 0.000 2.664 59 R HA 0.359 4.696 4.340 -0.005 0.000 0.286 59 R C -0.194 176.145 176.300 0.065 0.000 0.967 59 R CA -0.942 55.215 56.100 0.095 0.000 0.933 59 R CB 0.767 31.117 30.300 0.083 0.000 1.146 59 R HN 0.683 nan 8.270 nan 0.000 0.468 60 N N 1.242 119.958 118.700 0.027 0.000 2.705 60 N HA -0.216 4.521 4.740 -0.005 0.000 0.255 60 N C -0.465 175.035 175.510 -0.016 0.000 1.008 60 N CA 0.895 53.942 53.050 -0.006 0.000 0.742 60 N CB -0.928 37.557 38.487 -0.003 0.000 0.906 60 N HN 0.586 nan 8.380 nan 0.000 0.541 61 R N -1.481 119.002 120.500 -0.029 0.000 2.678 61 R HA 0.108 4.445 4.340 -0.005 0.000 0.264 61 R C 1.166 177.365 176.300 -0.167 0.000 0.995 61 R CA 0.931 56.989 56.100 -0.070 0.000 1.098 61 R CB 0.146 30.344 30.300 -0.169 0.000 0.949 61 R HN 0.354 nan 8.270 nan 0.000 0.422 62 T N -1.699 112.780 114.554 -0.124 0.000 2.959 62 T HA -0.011 4.336 4.350 -0.005 0.000 0.254 62 T C 1.543 176.168 174.700 -0.124 0.000 1.003 62 T CA -0.247 61.781 62.100 -0.120 0.000 0.950 62 T CB -0.161 68.687 68.868 -0.033 0.000 1.090 62 T HN 0.830 nan 8.240 nan 0.000 0.503 63 W N 2.419 123.715 121.300 -0.007 0.000 2.331 63 W HA 0.051 4.707 4.660 -0.007 0.000 0.291 63 W C -1.806 174.709 176.519 -0.006 0.000 1.214 63 W CA 0.874 58.212 57.345 -0.012 0.000 1.228 63 W CB -2.230 27.230 29.460 -0.000 0.000 1.135 63 W HN 0.320 nan 8.180 nan 0.000 0.537 64 P HA -0.074 nan 4.420 nan 0.000 0.226 64 P C 0.815 178.022 177.300 -0.155 0.000 1.153 64 P CA 1.735 64.561 63.100 -0.456 0.000 0.777 64 P CB -0.190 31.061 31.700 -0.749 0.000 0.794 65 D N -1.475 118.843 120.400 -0.136 0.000 2.349 65 D HA 0.084 4.721 4.640 -0.005 0.000 0.214 65 D C 0.586 176.869 176.300 -0.028 0.000 1.063 65 D CA 0.282 54.238 54.000 -0.074 0.000 0.847 65 D CB 0.334 41.081 40.800 -0.088 0.000 0.933 65 D HN 0.198 nan 8.370 nan 0.000 0.513 66 R N 0.663 121.166 120.500 0.006 0.000 2.460 66 R HA 0.523 4.860 4.340 -0.005 0.000 0.303 66 R C -0.652 175.661 176.300 0.022 0.000 0.968 66 R CA -0.633 55.471 56.100 0.005 0.000 0.889 66 R CB 2.720 33.021 30.300 0.002 0.000 1.123 66 R HN -0.207 nan 8.270 nan 0.000 0.455 67 V N 4.977 124.891 119.914 0.000 0.000 2.398 67 V HA 0.311 4.428 4.120 -0.005 0.000 0.286 67 V C 0.663 176.746 176.094 -0.018 0.000 1.026 67 V CA -0.824 61.484 62.300 0.012 0.000 0.868 67 V CB 1.727 33.559 31.823 0.016 0.000 0.982 67 V HN 0.643 nan 8.190 nan 0.000 0.443 68 I N 5.132 125.697 120.570 -0.008 0.000 2.741 68 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 68 I C 0.619 176.742 176.117 0.011 0.000 1.192 68 I CA 0.610 61.890 61.300 -0.034 0.000 1.426 68 I CB 0.396 38.450 38.000 0.091 0.000 1.367 68 I HN 0.877 nan 8.210 nan 0.000 0.563 69 D N 5.699 126.092 120.400 -0.013 0.000 2.556 69 D HA 0.111 4.748 4.640 -0.005 0.000 0.237 69 D C 0.079 176.409 176.300 0.049 0.000 1.296 69 D CA -0.475 53.538 54.000 0.022 0.000 0.807 69 D CB 0.407 41.206 40.800 -0.002 0.000 1.084 69 D HN 0.586 nan 8.370 nan 0.000 0.510 70 R N -0.885 119.669 120.500 0.090 0.000 2.739 70 R HA 0.789 5.126 4.340 -0.005 0.000 0.271 70 R C -1.143 175.291 176.300 0.224 0.000 1.010 70 R CA -1.122 55.053 56.100 0.124 0.000 0.897 70 R CB 1.011 31.363 30.300 0.086 0.000 1.236 70 R HN -0.087 nan 8.270 nan 0.000 0.466 71 A N 2.710 125.606 122.820 0.126 0.000 2.462 71 A HA 0.427 4.744 4.320 -0.005 0.000 0.243 71 A C -1.916 175.519 177.584 -0.248 0.000 1.076 71 A CA -1.175 50.856 52.037 -0.011 0.000 0.773 71 A CB -0.236 18.783 19.000 0.033 0.000 1.010 71 A HN 0.651 nan 8.150 nan 0.000 0.493 72 P HA 0.246 nan 4.420 nan 0.000 0.276 72 P C -0.502 176.228 177.300 -0.949 0.000 1.261 72 P CA -0.586 61.837 63.100 -1.127 0.000 0.800 72 P CB 0.530 31.122 31.700 -1.847 0.000 1.066 73 L N 1.636 122.509 121.223 -0.584 0.000 2.418 73 L HA 0.209 4.546 4.340 -0.005 0.000 0.274 73 L C -0.712 175.928 176.870 -0.382 0.000 1.135 73 L CA -0.167 54.443 54.840 -0.384 0.000 0.870 73 L CB -0.893 41.056 42.059 -0.184 0.000 1.154 73 L HN 0.259 nan 8.230 nan 0.000 0.462 74 W N 4.695 125.982 121.300 -0.022 0.000 2.381 74 W HA 0.552 5.209 4.660 -0.005 0.000 0.329 74 W C -0.178 176.368 176.519 0.046 0.000 1.157 74 W CA -0.528 56.843 57.345 0.044 0.000 1.240 74 W CB 1.187 30.798 29.460 0.251 0.000 1.199 74 W HN 0.652 nan 8.180 nan 0.000 0.579 75 C N 3.024 122.473 119.300 0.248 0.000 2.431 75 C HA 0.843 5.300 4.460 -0.005 0.000 0.321 75 C C -0.108 174.867 174.990 -0.024 0.000 1.202 75 C CA -0.607 58.468 59.018 0.096 0.000 1.398 75 C CB -0.618 27.148 27.740 0.044 0.000 2.047 75 C HN 0.751 nan 8.230 nan 0.000 0.465 76 A N 4.607 127.334 122.820 -0.155 0.000 2.260 76 A HA 0.563 4.880 4.320 -0.005 0.000 0.308 76 A C 0.535 178.046 177.584 -0.122 0.000 1.254 76 A CA -0.052 51.809 52.037 -0.293 0.000 0.874 76 A CB 0.547 19.188 19.000 -0.599 0.000 1.153 76 A HN 1.902 nan 8.150 nan 0.000 0.527 77 V N 0.061 119.927 119.914 -0.080 0.000 3.271 77 V HA 0.169 4.286 4.120 -0.005 0.000 0.327 77 V C 0.512 176.605 176.094 -0.002 0.000 1.389 77 V CA 0.500 62.802 62.300 0.003 0.000 1.156 77 V CB -0.733 31.132 31.823 0.070 0.000 1.103 77 V HN 0.648 nan 8.190 nan 0.000 0.453 78 D N 1.659 122.032 120.400 -0.045 0.000 2.149 78 D HA -0.150 4.487 4.640 -0.005 0.000 0.198 78 D C 1.819 178.113 176.300 -0.010 0.000 0.990 78 D CA 1.714 55.693 54.000 -0.034 0.000 0.839 78 D CB -0.226 40.538 40.800 -0.060 0.000 0.948 78 D HN 0.494 nan 8.370 nan 0.000 0.460 79 L N -0.515 120.715 121.223 0.012 0.000 2.478 79 L HA 0.074 4.411 4.340 -0.005 0.000 0.223 79 L C 2.267 179.148 176.870 0.018 0.000 1.140 79 L CA 0.348 55.189 54.840 0.002 0.000 0.842 79 L CB 0.097 42.189 42.059 0.056 0.000 0.953 79 L HN -0.004 nan 8.230 nan 0.000 0.452 80 R N -0.641 119.888 120.500 0.049 0.000 3.275 80 R HA -0.003 4.334 4.340 -0.005 0.000 0.154 80 R C 1.380 177.719 176.300 0.065 0.000 0.843 80 R CA 0.654 56.798 56.100 0.074 0.000 1.027 80 R CB -0.325 30.033 30.300 0.098 0.000 1.423 80 R HN -0.009 nan 8.270 nan 0.000 0.530 81 D N -0.028 120.410 120.400 0.062 0.000 2.144 81 D HA -0.043 4.594 4.640 -0.005 0.000 0.199 81 D C 1.568 177.892 176.300 0.040 0.000 0.984 81 D CA 1.721 55.762 54.000 0.068 0.000 0.834 81 D CB -0.284 40.593 40.800 0.129 0.000 0.955 81 D HN 0.455 nan 8.370 nan 0.000 0.465 82 G N -0.135 108.678 108.800 0.022 0.000 2.404 82 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.214 82 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.214 82 G C 1.712 176.611 174.900 -0.002 0.000 1.189 82 G CA 0.747 45.848 45.100 0.002 0.000 0.789 82 G HN 0.257 nan 8.290 nan 0.000 0.533 83 N N 0.467 119.165 118.700 -0.003 0.000 2.094 83 N HA -0.167 4.570 4.740 -0.005 0.000 0.191 83 N C 2.175 177.688 175.510 0.005 0.000 1.023 83 N CA 1.733 54.775 53.050 -0.013 0.000 0.857 83 N CB -0.343 38.129 38.487 -0.025 0.000 1.013 83 N HN 0.339 nan 8.380 nan 0.000 0.426 84 Q N -0.303 119.515 119.800 0.030 0.000 2.297 84 Q HA 0.034 4.372 4.340 -0.005 0.000 0.208 84 Q C 1.275 177.288 176.000 0.022 0.000 0.981 84 Q CA 1.682 57.512 55.803 0.045 0.000 0.876 84 Q CB -0.408 28.377 28.738 0.078 0.000 0.921 84 Q HN 0.424 nan 8.270 nan 0.000 0.446 85 A N -0.580 122.244 122.820 0.006 0.000 2.275 85 A HA 0.272 4.589 4.320 -0.005 0.000 0.212 85 A C 0.110 177.687 177.584 -0.011 0.000 1.201 85 A CA -0.274 51.759 52.037 -0.007 0.000 0.843 85 A CB 0.043 19.032 19.000 -0.019 0.000 0.873 85 A HN 0.311 nan 8.150 nan 0.000 0.492 86 L N -0.224 120.991 121.223 -0.012 0.000 2.312 86 L HA 0.283 4.620 4.340 -0.005 0.000 0.281 86 L C 1.416 178.275 176.870 -0.018 0.000 1.070 86 L CA -0.578 54.250 54.840 -0.020 0.000 0.805 86 L CB 1.089 43.128 42.059 -0.032 0.000 1.174 86 L HN 0.230 nan 8.230 nan 0.000 0.434 87 I N 0.832 121.390 120.570 -0.019 0.000 2.394 87 I HA -0.123 4.044 4.170 -0.005 0.000 0.251 87 I C 0.522 176.627 176.117 -0.021 0.000 1.136 87 I CA 1.341 62.632 61.300 -0.016 0.000 1.425 87 I CB -0.055 37.937 38.000 -0.014 0.000 1.079 87 I HN 0.543 nan 8.210 nan 0.000 0.425 88 D N 3.483 123.864 120.400 -0.030 0.000 2.479 88 D HA 0.283 4.920 4.640 -0.005 0.000 0.247 88 D C -2.344 173.924 176.300 -0.052 0.000 1.119 88 D CA -1.431 52.546 54.000 -0.040 0.000 0.922 88 D CB 0.504 41.275 40.800 -0.048 0.000 1.014 88 D HN 0.177 nan 8.370 nan 0.000 0.510 89 P HA 0.011 nan 4.420 nan 0.000 0.268 89 P C 0.390 177.645 177.300 -0.076 0.000 1.208 89 P CA -0.205 62.865 63.100 -0.051 0.000 0.777 89 P CB 0.967 32.648 31.700 -0.032 0.000 0.875 90 M N 1.287 120.830 119.600 -0.095 0.000 2.252 90 M HA 0.037 4.514 4.480 -0.005 0.000 0.348 90 M C 1.208 177.441 176.300 -0.112 0.000 1.334 90 M CA 0.345 55.568 55.300 -0.129 0.000 1.071 90 M CB -0.053 32.455 32.600 -0.153 0.000 1.763 90 M HN 0.401 nan 8.290 nan 0.000 0.452 91 S N 3.765 119.401 115.700 -0.106 0.000 2.596 91 S HA 0.205 4.672 4.470 -0.005 0.000 0.260 91 S C -1.992 172.567 174.600 -0.069 0.000 1.336 91 S CA -1.172 56.988 58.200 -0.067 0.000 0.993 91 S CB 0.139 63.310 63.200 -0.049 0.000 0.923 91 S HN 0.471 nan 8.310 nan 0.000 0.567 92 P HA -0.044 nan 4.420 nan 0.000 0.218 92 P C 1.447 178.762 177.300 0.026 0.000 1.148 92 P CA 1.778 64.881 63.100 0.005 0.000 0.822 92 P CB -0.244 31.495 31.700 0.066 0.000 0.784 93 A N -0.393 122.450 122.820 0.039 0.000 1.929 93 A HA -0.155 4.162 4.320 -0.005 0.000 0.216 93 A C 2.280 179.919 177.584 0.092 0.000 1.176 93 A CA 1.276 53.363 52.037 0.083 0.000 0.628 93 A CB -0.933 18.132 19.000 0.108 0.000 0.816 93 A HN 0.036 nan 8.150 nan 0.000 0.444 94 R N -0.152 120.353 120.500 0.009 0.000 2.092 94 R HA -0.061 4.276 4.340 -0.005 0.000 0.231 94 R C 2.172 178.446 176.300 -0.044 0.000 1.119 94 R CA 1.533 57.604 56.100 -0.048 0.000 0.970 94 R CB -0.194 29.965 30.300 -0.234 0.000 0.864 94 R HN 0.477 nan 8.270 nan 0.000 0.440 95 K N -0.249 120.071 120.400 -0.133 0.000 2.032 95 K HA -0.151 4.166 4.320 -0.005 0.000 0.209 95 K C 2.333 178.903 176.600 -0.050 0.000 1.048 95 K CA 1.444 57.563 56.287 -0.280 0.000 0.927 95 K CB -0.046 31.997 32.500 -0.761 0.000 0.712 95 K HN -0.025 nan 8.250 nan 0.000 0.441 96 R N 0.276 120.833 120.500 0.094 0.000 2.092 96 R HA -0.090 4.247 4.340 -0.005 0.000 0.231 96 R C 2.458 178.903 176.300 0.241 0.000 1.119 96 R CA 1.475 57.725 56.100 0.250 0.000 0.970 96 R CB -0.943 29.482 30.300 0.209 0.000 0.864 96 R HN 0.298 nan 8.270 nan 0.000 0.440 97 R N 0.227 120.835 120.500 0.179 0.000 2.075 97 R HA -0.002 4.335 4.340 -0.005 0.000 0.232 97 R C 2.295 178.688 176.300 0.155 0.000 1.126 97 R CA 1.996 58.199 56.100 0.172 0.000 0.963 97 R CB -0.816 29.616 30.300 0.220 0.000 0.858 97 R HN 0.499 nan 8.270 nan 0.000 0.435 98 M N -0.241 119.441 119.600 0.136 0.000 2.086 98 M HA 0.078 4.556 4.480 -0.005 0.000 0.261 98 M C 1.880 178.259 176.300 0.132 0.000 1.067 98 M CA 1.807 57.167 55.300 0.101 0.000 1.116 98 M CB -0.910 31.721 32.600 0.051 0.000 1.348 98 M HN 0.388 nan 8.290 nan 0.000 0.407 99 F N 1.007 121.001 119.950 0.074 0.000 2.095 99 F HA -0.268 4.256 4.527 -0.005 0.000 0.298 99 F C 1.759 177.610 175.800 0.086 0.000 1.104 99 F CA 2.341 60.411 58.000 0.116 0.000 1.232 99 F CB -0.579 38.566 39.000 0.241 0.000 0.987 99 F HN 0.234 nan 8.300 nan 0.000 0.475 100 D N 0.255 120.785 120.400 0.217 0.000 2.117 100 D HA -0.176 4.461 4.640 -0.005 0.000 0.197 100 D C 2.232 178.528 176.300 -0.007 0.000 0.987 100 D CA 1.350 55.407 54.000 0.094 0.000 0.829 100 D CB -0.709 40.174 40.800 0.138 0.000 0.961 100 D HN 0.334 nan 8.370 nan 0.000 0.460 101 L N 0.683 121.916 121.223 0.016 0.000 2.017 101 L HA -0.133 4.204 4.340 -0.005 0.000 0.208 101 L C 2.180 179.031 176.870 -0.032 0.000 1.073 101 L CA 1.458 56.296 54.840 -0.004 0.000 0.745 101 L CB -0.588 41.487 42.059 0.027 0.000 0.894 101 L HN -0.001 nan 8.230 nan 0.000 0.432 102 L N -1.694 119.497 121.223 -0.052 0.000 2.046 102 L HA -0.214 4.123 4.340 -0.005 0.000 0.208 102 L C 2.443 179.295 176.870 -0.031 0.000 1.077 102 L CA 1.074 55.913 54.840 -0.001 0.000 0.747 102 L CB -0.784 41.199 42.059 -0.127 0.000 0.896 102 L HN 0.140 nan 8.230 nan 0.000 0.432 103 V N -0.130 119.658 119.914 -0.210 0.000 2.295 103 V HA -0.268 3.849 4.120 -0.005 0.000 0.246 103 V C 2.640 178.651 176.094 -0.139 0.000 1.049 103 V CA 1.767 63.940 62.300 -0.211 0.000 1.024 103 V CB -0.595 31.060 31.823 -0.281 0.000 0.648 103 V HN 0.415 nan 8.190 nan 0.000 0.447 104 R N -0.747 119.684 120.500 -0.115 0.000 2.115 104 R HA -0.050 4.287 4.340 -0.005 0.000 0.230 104 R C 2.228 178.429 176.300 -0.166 0.000 1.111 104 R CA 1.331 57.363 56.100 -0.113 0.000 0.976 104 R CB -0.331 29.920 30.300 -0.082 0.000 0.870 104 R HN 0.468 nan 8.270 nan 0.000 0.445 105 M N -0.993 118.493 119.600 -0.190 0.000 2.374 105 M HA -0.003 4.474 4.480 -0.005 0.000 0.264 105 M C 1.091 177.106 176.300 -0.475 0.000 1.067 105 M CA 1.481 56.576 55.300 -0.341 0.000 1.103 105 M CB 0.370 32.778 32.600 -0.320 0.000 1.402 105 M HN 0.496 nan 8.290 nan 0.000 0.444 106 G N -0.914 107.660 108.800 -0.377 0.000 2.183 106 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.168 106 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.168 106 G C -0.365 174.316 174.900 -0.365 0.000 1.008 106 G CA -0.790 44.094 45.100 -0.359 0.000 0.677 106 G HN 0.374 nan 8.290 nan 0.000 0.498 107 Y N 0.895 121.102 120.300 -0.154 0.000 2.411 107 Y HA 0.453 5.001 4.550 -0.005 0.000 0.333 107 Y C 1.588 177.436 175.900 -0.087 0.000 1.186 107 Y CA 0.197 58.239 58.100 -0.097 0.000 1.381 107 Y CB 0.889 39.275 38.460 -0.124 0.000 1.273 107 Y HN -0.087 nan 8.280 nan 0.000 0.546 108 K N 1.395 121.866 120.400 0.119 0.000 2.380 108 K HA 0.179 4.496 4.320 -0.005 0.000 0.198 108 K C -0.485 176.141 176.600 0.044 0.000 1.070 108 K CA 0.288 56.600 56.287 0.041 0.000 1.040 108 K CB 0.775 33.286 32.500 0.019 0.000 0.903 108 K HN 0.721 nan 8.250 nan 0.000 0.549 109 E N 1.060 121.309 120.200 0.081 0.000 2.218 109 E HA 0.468 4.815 4.350 -0.005 0.000 0.263 109 E C -0.843 175.788 176.600 0.051 0.000 0.879 109 E CA -0.333 56.100 56.400 0.054 0.000 0.762 109 E CB 2.255 31.980 29.700 0.041 0.000 1.166 109 E HN -0.040 nan 8.360 nan 0.000 0.415 110 I N 2.172 122.772 120.570 0.050 0.000 2.500 110 I HA 0.184 4.351 4.170 -0.005 0.000 0.286 110 I C -0.378 175.806 176.117 0.112 0.000 1.063 110 I CA -0.636 60.696 61.300 0.054 0.000 1.062 110 I CB 2.121 40.145 38.000 0.040 0.000 1.223 110 I HN 0.460 nan 8.210 nan 0.000 0.435 111 E N 4.922 125.179 120.200 0.094 0.000 2.223 111 E HA 0.191 4.538 4.350 -0.005 0.000 0.282 111 E C 0.609 177.309 176.600 0.167 0.000 1.046 111 E CA -0.258 56.213 56.400 0.119 0.000 0.857 111 E CB 1.195 30.956 29.700 0.103 0.000 1.055 111 E HN 0.580 nan 8.360 nan 0.000 0.409 112 V N 1.323 121.356 119.914 0.199 0.000 3.643 112 V HA 0.574 4.691 4.120 -0.005 0.000 0.280 112 V C 0.552 176.813 176.094 0.279 0.000 1.351 112 V CA 0.524 63.003 62.300 0.298 0.000 1.073 112 V CB 0.076 32.086 31.823 0.311 0.000 0.863 112 V HN 0.638 nan 8.190 nan 0.000 0.436 113 G N -0.604 108.317 108.800 0.200 0.000 2.320 113 G HA2 0.350 4.307 3.960 -0.005 0.000 0.297 113 G HA3 0.350 4.307 3.960 -0.005 0.000 0.297 113 G C -1.543 173.508 174.900 0.251 0.000 1.344 113 G CA -0.454 44.778 45.100 0.219 0.000 0.851 113 G HN 0.167 nan 8.290 nan 0.000 0.567 114 F N 2.614 122.631 119.950 0.112 0.000 2.471 114 F HA 0.368 4.892 4.527 -0.005 0.000 0.318 114 F C -1.315 174.567 175.800 0.137 0.000 1.308 114 F CA -2.483 55.587 58.000 0.117 0.000 1.162 114 F CB 1.885 40.950 39.000 0.109 0.000 1.383 114 F HN 0.265 nan 8.300 nan 0.000 0.552 115 P HA -0.160 nan 4.420 nan 0.000 0.223 115 P C 1.431 178.923 177.300 0.320 0.000 1.151 115 P CA 1.205 64.485 63.100 0.299 0.000 0.787 115 P CB 0.085 31.892 31.700 0.177 0.000 0.788 116 S N -0.832 115.019 115.700 0.252 0.000 2.489 116 S HA 0.173 4.640 4.470 -0.005 0.000 0.228 116 S C 1.942 176.514 174.600 -0.047 0.000 0.995 116 S CA 0.606 58.895 58.200 0.149 0.000 0.934 116 S CB -0.743 62.563 63.200 0.176 0.000 0.771 116 S HN 0.125 nan 8.310 nan 0.000 0.522 117 A N 0.466 123.137 122.820 -0.248 0.000 2.197 117 A HA 0.555 4.872 4.320 -0.005 0.000 0.210 117 A C 1.001 178.461 177.584 -0.206 0.000 1.180 117 A CA 0.352 52.126 52.037 -0.437 0.000 0.846 117 A CB 0.151 18.433 19.000 -1.196 0.000 0.884 117 A HN 0.518 nan 8.150 nan 0.000 0.487 118 S N -1.036 114.624 115.700 -0.067 0.000 2.677 118 S HA 0.382 4.849 4.470 -0.005 0.000 0.283 118 S C 0.219 174.875 174.600 0.094 0.000 1.159 118 S CA -0.391 57.816 58.200 0.011 0.000 1.001 118 S CB 1.626 64.852 63.200 0.043 0.000 1.032 118 S HN 0.202 nan 8.310 nan 0.000 0.487 119 Q N 3.163 122.999 119.800 0.059 0.000 2.167 119 Q HA -0.063 4.274 4.340 -0.005 0.000 0.202 119 Q C 1.890 177.983 176.000 0.155 0.000 0.970 119 Q CA 2.867 58.719 55.803 0.082 0.000 0.855 119 Q CB -0.560 28.180 28.738 0.003 0.000 0.911 119 Q HN 0.929 nan 8.270 nan 0.000 0.438 120 T N -2.279 112.345 114.554 0.117 0.000 2.821 120 T HA -0.102 4.245 4.350 -0.005 0.000 0.267 120 T C 1.259 176.067 174.700 0.181 0.000 1.046 120 T CA 1.221 63.397 62.100 0.126 0.000 1.139 120 T CB -0.388 68.522 68.868 0.071 0.000 0.871 120 T HN 0.157 nan 8.240 nan 0.000 0.454 121 D N 0.641 121.152 120.400 0.184 0.000 2.104 121 D HA -0.009 4.628 4.640 -0.005 0.000 0.194 121 D C 1.555 178.007 176.300 0.254 0.000 0.994 121 D CA 0.732 54.869 54.000 0.228 0.000 0.830 121 D CB -0.642 40.290 40.800 0.220 0.000 0.959 121 D HN 0.423 nan 8.370 nan 0.000 0.452 122 F N 1.553 121.569 119.950 0.110 0.000 2.065 122 F HA -0.233 4.291 4.527 -0.005 0.000 0.298 122 F C 1.881 177.725 175.800 0.074 0.000 1.112 122 F CA 1.565 59.615 58.000 0.085 0.000 1.212 122 F CB 0.079 39.117 39.000 0.062 0.000 0.975 122 F HN -0.146 nan 8.300 nan 0.000 0.476 123 D N -0.277 120.348 120.400 0.375 0.000 2.144 123 D HA -0.206 4.431 4.640 -0.005 0.000 0.199 123 D C 2.015 178.405 176.300 0.149 0.000 0.984 123 D CA 1.156 55.307 54.000 0.251 0.000 0.834 123 D CB -0.685 40.239 40.800 0.207 0.000 0.955 123 D HN 0.333 nan 8.370 nan 0.000 0.465 124 F N 1.586 121.549 119.950 0.021 0.000 2.134 124 F HA -0.190 4.334 4.527 -0.005 0.000 0.299 124 F C 2.153 177.892 175.800 -0.101 0.000 1.097 124 F CA 0.886 58.863 58.000 -0.039 0.000 1.264 124 F CB -0.353 38.630 39.000 -0.028 0.000 1.001 124 F HN -0.223 nan 8.300 nan 0.000 0.479 125 V N 1.067 120.856 119.914 -0.208 0.000 2.295 125 V HA -0.286 3.832 4.120 -0.005 0.000 0.246 125 V C 2.647 178.526 176.094 -0.359 0.000 1.049 125 V CA 1.897 63.989 62.300 -0.347 0.000 1.024 125 V CB -0.721 30.953 31.823 -0.248 0.000 0.648 125 V HN 0.211 nan 8.190 nan 0.000 0.447 126 R N 0.247 120.577 120.500 -0.282 0.000 2.096 126 R HA -0.207 4.130 4.340 -0.005 0.000 0.240 126 R C 2.245 178.435 176.300 -0.184 0.000 1.139 126 R CA 1.950 57.933 56.100 -0.195 0.000 0.952 126 R CB -0.888 29.372 30.300 -0.066 0.000 0.854 126 R HN 0.771 nan 8.270 nan 0.000 0.436 127 E N 1.083 121.160 120.200 -0.205 0.000 2.031 127 E HA -0.172 4.175 4.350 -0.005 0.000 0.193 127 E C 2.021 178.440 176.600 -0.302 0.000 0.994 127 E CA 1.680 57.958 56.400 -0.203 0.000 0.800 127 E CB -0.168 29.444 29.700 -0.146 0.000 0.752 127 E HN 0.470 nan 8.360 nan 0.000 0.447 128 I N -1.424 118.828 120.570 -0.530 0.000 2.493 128 I HA -0.134 4.033 4.170 -0.005 0.000 0.254 128 I C 2.210 178.128 176.117 -0.332 0.000 1.160 128 I CA 0.917 61.892 61.300 -0.541 0.000 1.445 128 I CB -0.287 37.163 38.000 -0.918 0.000 1.086 128 I HN 0.083 nan 8.210 nan 0.000 0.433 129 I N 1.343 121.743 120.570 -0.283 0.000 2.277 129 I HA -0.138 4.029 4.170 -0.005 0.000 0.243 129 I C 2.539 178.577 176.117 -0.132 0.000 1.094 129 I CA 1.276 62.462 61.300 -0.189 0.000 1.393 129 I CB -0.267 37.628 38.000 -0.175 0.000 1.078 129 I HN 0.179 nan 8.210 nan 0.000 0.417 130 E N 0.514 120.641 120.200 -0.122 0.000 2.152 130 E HA -0.224 4.123 4.350 -0.005 0.000 0.192 130 E C 2.290 178.850 176.600 -0.066 0.000 0.983 130 E CA 1.271 57.627 56.400 -0.074 0.000 0.818 130 E CB -0.088 29.580 29.700 -0.053 0.000 0.758 130 E HN 0.559 nan 8.360 nan 0.000 0.467 131 Q N 0.292 120.040 119.800 -0.087 0.000 2.444 131 Q HA 0.173 4.510 4.340 -0.005 0.000 0.206 131 Q C 1.404 177.369 176.000 -0.058 0.000 0.948 131 Q CA 0.739 56.502 55.803 -0.066 0.000 0.946 131 Q CB -0.240 28.455 28.738 -0.071 0.000 1.027 131 Q HN 0.396 nan 8.270 nan 0.000 0.513 132 G N -0.877 107.881 108.800 -0.070 0.000 2.295 132 G HA2 0.004 3.962 3.960 -0.005 0.000 0.287 132 G HA3 0.004 3.962 3.960 -0.005 0.000 0.287 132 G C 0.881 175.758 174.900 -0.038 0.000 1.055 132 G CA 0.620 45.689 45.100 -0.052 0.000 0.922 132 G HN 1.570 nan 8.290 nan 0.000 0.503 133 A N -0.930 121.851 122.820 -0.065 0.000 2.218 133 A HA 0.581 4.899 4.320 -0.005 0.000 0.209 133 A C 1.101 178.736 177.584 0.086 0.000 1.168 133 A CA 0.554 52.577 52.037 -0.024 0.000 0.804 133 A CB 0.109 19.029 19.000 -0.133 0.000 0.834 133 A HN 0.765 nan 8.150 nan 0.000 0.482 134 I N 1.670 122.269 120.570 0.048 0.000 2.304 134 I HA 0.258 4.425 4.170 -0.005 0.000 0.291 134 I C -2.291 173.868 176.117 0.071 0.000 1.018 134 I CA -2.097 59.280 61.300 0.128 0.000 1.260 134 I CB 1.140 39.178 38.000 0.064 0.000 1.390 134 I HN 0.008 nan 8.210 nan 0.000 0.475 135 P HA 0.033 nan 4.420 nan 0.000 0.269 135 P C 0.117 177.417 177.300 0.001 0.000 1.217 135 P CA -0.166 62.947 63.100 0.021 0.000 0.783 135 P CB 0.622 32.323 31.700 0.002 0.000 0.898 136 D N 0.508 120.901 120.400 -0.013 0.000 2.221 136 D HA -0.152 4.485 4.640 -0.005 0.000 0.204 136 D C 0.901 177.185 176.300 -0.027 0.000 0.982 136 D CA 1.377 55.363 54.000 -0.023 0.000 0.857 136 D CB -0.284 40.502 40.800 -0.024 0.000 0.934 136 D HN 0.538 nan 8.370 nan 0.000 0.475 137 D N -0.505 119.879 120.400 -0.025 0.000 2.368 137 D HA 0.004 4.641 4.640 -0.005 0.000 0.218 137 D C 0.042 176.327 176.300 -0.025 0.000 1.112 137 D CA -0.169 53.814 54.000 -0.028 0.000 0.834 137 D CB 0.009 40.791 40.800 -0.031 0.000 0.953 137 D HN -0.089 nan 8.370 nan 0.000 0.505 138 V N 0.624 120.527 119.914 -0.018 0.000 2.435 138 V HA 0.406 4.523 4.120 -0.005 0.000 0.290 138 V C 0.101 176.192 176.094 -0.003 0.000 1.030 138 V CA -0.435 61.861 62.300 -0.007 0.000 0.881 138 V CB 1.791 33.612 31.823 -0.003 0.000 0.983 138 V HN 0.046 nan 8.190 nan 0.000 0.445 139 T N 6.127 120.680 114.554 -0.003 0.000 2.791 139 T HA 0.536 4.883 4.350 -0.005 0.000 0.288 139 T C -0.024 174.687 174.700 0.017 0.000 0.999 139 T CA -0.196 61.893 62.100 -0.017 0.000 0.952 139 T CB 0.730 69.576 68.868 -0.037 0.000 0.938 139 T HN 0.623 nan 8.240 nan 0.000 0.444 140 I N 1.454 122.037 120.570 0.022 0.000 2.779 140 I HA 0.532 4.699 4.170 -0.005 0.000 0.285 140 I C -0.008 176.127 176.117 0.031 0.000 1.134 140 I CA -0.581 60.756 61.300 0.061 0.000 1.398 140 I CB 0.682 38.711 38.000 0.048 0.000 1.404 140 I HN 0.527 nan 8.210 nan 0.000 0.587 141 Q N 4.881 124.721 119.800 0.067 0.000 2.347 141 Q HA 0.681 5.018 4.340 -0.005 0.000 0.271 141 Q C -1.590 174.465 176.000 0.093 0.000 1.064 141 Q CA -0.915 54.931 55.803 0.070 0.000 0.800 141 Q CB 2.463 31.246 28.738 0.075 0.000 1.304 141 Q HN 0.798 nan 8.270 nan 0.000 0.438 142 V N 1.429 121.400 119.914 0.095 0.000 2.735 142 V HA 0.682 4.800 4.120 -0.005 0.000 0.310 142 V C -1.103 175.054 176.094 0.105 0.000 1.061 142 V CA -1.094 61.265 62.300 0.098 0.000 0.913 142 V CB 1.568 33.433 31.823 0.071 0.000 1.005 142 V HN 0.788 nan 8.190 nan 0.000 0.428 143 L N 3.063 124.304 121.223 0.030 0.000 2.325 143 L HA 0.889 5.227 4.340 -0.005 0.000 0.279 143 L C 0.125 176.968 176.870 -0.044 0.000 1.054 143 L CA 0.741 55.483 54.840 -0.165 0.000 0.804 143 L CB 1.712 43.454 42.059 -0.528 0.000 1.200 143 L HN 1.148 nan 8.230 nan 0.000 0.436 144 T N 3.037 117.621 114.554 0.050 0.000 2.923 144 T HA 0.410 4.757 4.350 -0.005 0.000 0.311 144 T C -0.725 174.083 174.700 0.181 0.000 1.183 144 T CA -0.540 61.727 62.100 0.278 0.000 1.020 144 T CB 1.139 70.176 68.868 0.281 0.000 1.165 144 T HN 0.740 nan 8.240 nan 0.000 0.482 145 Q N 0.987 120.914 119.800 0.212 0.000 2.316 145 Q HA 0.286 4.624 4.340 -0.005 0.000 0.215 145 Q C 0.861 176.881 176.000 0.034 0.000 1.020 145 Q CA -0.671 55.072 55.803 -0.099 0.000 0.970 145 Q CB 0.609 29.342 28.738 -0.009 0.000 1.187 145 Q HN 0.787 nan 8.270 nan 0.000 0.546 146 C N 0.287 119.591 119.300 0.007 0.000 2.539 146 C HA 0.067 4.524 4.460 -0.005 0.000 0.268 146 C C 0.822 175.836 174.990 0.039 0.000 1.395 146 C CA -0.134 58.922 59.018 0.063 0.000 1.757 146 C CB -0.675 27.117 27.740 0.087 0.000 1.851 146 C HN 0.545 nan 8.230 nan 0.000 0.545 147 R N 1.828 122.359 120.500 0.051 0.000 2.538 147 R HA 0.017 4.354 4.340 -0.005 0.000 0.282 147 R C -1.206 175.116 176.300 0.036 0.000 1.009 147 R CA -0.318 55.809 56.100 0.046 0.000 1.063 147 R CB 0.275 30.608 30.300 0.056 0.000 0.945 147 R HN 0.273 nan 8.270 nan 0.000 0.414 148 P HA -0.225 nan 4.420 nan 0.000 0.216 148 P C 0.876 178.191 177.300 0.025 0.000 1.153 148 P CA 1.375 64.476 63.100 0.001 0.000 0.848 148 P CB 0.065 31.755 31.700 -0.016 0.000 0.787 149 E N 0.768 120.987 120.200 0.033 0.000 2.204 149 E HA -0.138 4.210 4.350 -0.005 0.000 0.195 149 E C 2.028 178.673 176.600 0.075 0.000 0.990 149 E CA 1.010 57.438 56.400 0.046 0.000 0.821 149 E CB -1.165 28.556 29.700 0.034 0.000 0.750 149 E HN 0.308 nan 8.360 nan 0.000 0.477 150 L N 0.228 121.502 121.223 0.084 0.000 2.162 150 L HA 0.053 4.390 4.340 -0.005 0.000 0.205 150 L C 2.759 179.726 176.870 0.162 0.000 1.086 150 L CA 0.522 55.435 54.840 0.122 0.000 0.778 150 L CB -0.300 41.835 42.059 0.127 0.000 0.928 150 L HN 0.010 nan 8.230 nan 0.000 0.446 151 I N -0.029 120.625 120.570 0.141 0.000 2.252 151 I HA -0.241 3.926 4.170 -0.005 0.000 0.245 151 I C 2.407 178.679 176.117 0.257 0.000 1.102 151 I CA 1.222 62.637 61.300 0.191 0.000 1.385 151 I CB -0.249 37.816 38.000 0.109 0.000 1.064 151 I HN 0.281 nan 8.210 nan 0.000 0.414 152 E N 0.678 120.971 120.200 0.155 0.000 2.049 152 E HA -0.303 4.044 4.350 -0.005 0.000 0.198 152 E C 2.274 179.012 176.600 0.230 0.000 1.007 152 E CA 1.446 57.943 56.400 0.162 0.000 0.809 152 E CB -0.164 29.596 29.700 0.099 0.000 0.749 152 E HN 0.302 nan 8.360 nan 0.000 0.450 153 R N 0.344 120.970 120.500 0.211 0.000 2.120 153 R HA -0.114 4.223 4.340 -0.005 0.000 0.234 153 R C 2.181 178.657 176.300 0.293 0.000 1.123 153 R CA 1.780 58.039 56.100 0.265 0.000 0.975 153 R CB -0.168 30.263 30.300 0.218 0.000 0.866 153 R HN 0.077 nan 8.270 nan 0.000 0.446 154 T N 0.068 114.760 114.554 0.230 0.000 2.737 154 T HA -0.099 4.249 4.350 -0.005 0.000 0.265 154 T C 1.300 176.001 174.700 0.002 0.000 1.038 154 T CA 1.503 63.683 62.100 0.133 0.000 1.144 154 T CB -0.286 68.660 68.868 0.131 0.000 0.866 154 T HN 0.139 nan 8.240 nan 0.000 0.434 155 F N 1.656 121.547 119.950 -0.098 0.000 2.171 155 F HA -0.071 4.453 4.527 -0.005 0.000 0.300 155 F C 2.723 178.323 175.800 -0.335 0.000 1.090 155 F CA 1.032 58.818 58.000 -0.357 0.000 1.293 155 F CB -0.530 38.114 39.000 -0.592 0.000 1.013 155 F HN 0.164 nan 8.300 nan 0.000 0.486 156 Q N -0.195 119.673 119.800 0.113 0.000 2.096 156 Q HA -0.220 4.117 4.340 -0.005 0.000 0.204 156 Q C 2.510 178.541 176.000 0.051 0.000 0.982 156 Q CA 1.659 57.585 55.803 0.206 0.000 0.850 156 Q CB -0.508 28.453 28.738 0.371 0.000 0.901 156 Q HN 0.447 nan 8.270 nan 0.000 0.422 157 A N -0.101 122.635 122.820 -0.140 0.000 1.933 157 A HA -0.179 4.138 4.320 -0.005 0.000 0.218 157 A C 2.063 179.443 177.584 -0.340 0.000 1.175 157 A CA 1.247 52.891 52.037 -0.655 0.000 0.628 157 A CB -0.615 17.946 19.000 -0.732 0.000 0.814 157 A HN 0.513 nan 8.150 nan 0.000 0.444 158 C N -0.051 119.153 119.300 -0.160 0.000 2.626 158 C HA 0.255 4.712 4.460 -0.005 0.000 0.266 158 C C 1.558 176.531 174.990 -0.029 0.000 1.317 158 C CA -0.269 58.700 59.018 -0.081 0.000 1.716 158 C CB -1.806 25.965 27.740 0.052 0.000 1.819 158 C HN 0.527 nan 8.230 nan 0.000 0.578 159 S N 0.333 116.036 115.700 0.006 0.000 2.626 159 S HA 0.329 4.796 4.470 -0.005 0.000 0.303 159 S C 1.396 176.030 174.600 0.056 0.000 1.256 159 S CA 1.457 59.731 58.200 0.123 0.000 1.069 159 S CB -0.102 63.232 63.200 0.223 0.000 0.807 159 S HN 1.097 nan 8.310 nan 0.000 0.500 160 G N 2.850 111.690 108.800 0.066 0.000 2.179 160 G HA2 -0.176 3.781 3.960 -0.005 0.000 0.260 160 G HA3 -0.176 3.781 3.960 -0.005 0.000 0.260 160 G C 0.279 175.121 174.900 -0.096 0.000 0.977 160 G CA 0.162 45.259 45.100 -0.005 0.000 0.641 160 G HN 1.462 nan 8.290 nan 0.000 0.533 161 A N 0.778 123.495 122.820 -0.171 0.000 2.462 161 A HA 0.621 4.938 4.320 -0.005 0.000 0.243 161 A C 0.042 177.464 177.584 -0.271 0.000 1.076 161 A CA -0.058 51.840 52.037 -0.232 0.000 0.773 161 A CB 0.596 19.419 19.000 -0.296 0.000 1.010 161 A HN 0.154 nan 8.150 nan 0.000 0.493 162 P HA -0.021 nan 4.420 nan 0.000 0.222 162 P C 0.111 177.251 177.300 -0.267 0.000 1.153 162 P CA 1.078 64.060 63.100 -0.197 0.000 0.798 162 P CB 0.109 31.733 31.700 -0.126 0.000 0.796 163 R N -1.134 119.192 120.500 -0.290 0.000 2.629 163 R HA 0.800 5.137 4.340 -0.005 0.000 0.266 163 R C -1.990 174.126 176.300 -0.308 0.000 1.051 163 R CA -1.030 54.883 56.100 -0.311 0.000 0.895 163 R CB 1.361 31.549 30.300 -0.188 0.000 1.246 163 R HN -0.104 nan 8.270 nan 0.000 0.459 164 A N 2.833 125.460 122.820 -0.321 0.000 2.589 164 A HA 0.566 4.883 4.320 -0.005 0.000 0.296 164 A C -1.286 176.231 177.584 -0.112 0.000 1.062 164 A CA -0.882 51.035 52.037 -0.199 0.000 0.686 164 A CB 1.500 20.361 19.000 -0.231 0.000 1.282 164 A HN 0.654 nan 8.150 nan 0.000 0.404 165 I N 1.808 122.345 120.570 -0.054 0.000 2.315 165 I HA 0.349 4.516 4.170 -0.005 0.000 0.291 165 I C -0.487 175.658 176.117 0.047 0.000 1.006 165 I CA -0.700 60.583 61.300 -0.028 0.000 1.265 165 I CB 1.706 39.702 38.000 -0.008 0.000 1.387 165 I HN 0.328 nan 8.210 nan 0.000 0.475 166 V N 6.609 126.568 119.914 0.076 0.000 2.348 166 V HA 0.131 4.248 4.120 -0.005 0.000 0.270 166 V C 0.096 176.463 176.094 0.454 0.000 1.037 166 V CA -0.448 61.977 62.300 0.208 0.000 0.872 166 V CB 0.629 32.541 31.823 0.147 0.000 1.002 166 V HN 0.647 nan 8.190 nan 0.000 0.464 167 H N 6.665 125.881 119.070 0.243 0.000 2.641 167 H HA 0.498 5.051 4.556 -0.005 0.000 0.295 167 H C -0.791 174.722 175.328 0.308 0.000 1.070 167 H CA -0.888 55.281 56.048 0.202 0.000 1.257 167 H CB 0.620 30.420 29.762 0.063 0.000 1.393 167 H HN 0.622 nan 8.280 nan 0.000 0.464 168 F N 4.508 124.695 119.950 0.395 0.000 2.470 168 F HA 0.527 5.051 4.527 -0.005 0.000 0.329 168 F C -1.481 174.526 175.800 0.345 0.000 1.072 168 F CA -1.141 57.021 58.000 0.270 0.000 0.989 168 F CB 0.866 40.013 39.000 0.246 0.000 1.193 168 F HN 0.411 nan 8.300 nan 0.000 0.481 169 Y N 0.406 120.790 120.300 0.141 0.000 2.609 169 Y HA 0.659 5.206 4.550 -0.005 0.000 0.336 169 Y C -1.931 174.057 175.900 0.148 0.000 1.129 169 Y CA -1.514 56.574 58.100 -0.020 0.000 1.040 169 Y CB 1.537 39.872 38.460 -0.208 0.000 1.310 169 Y HN 0.899 nan 8.280 nan 0.000 0.460 170 N N 0.790 119.595 118.700 0.175 0.000 2.484 170 N HA 0.294 5.032 4.740 -0.005 0.000 0.269 170 N C -1.793 173.813 175.510 0.160 0.000 1.237 170 N CA -0.643 52.461 53.050 0.089 0.000 0.838 170 N CB 2.018 40.516 38.487 0.018 0.000 1.593 170 N HN 0.725 nan 8.380 nan 0.000 0.485 171 S N -0.433 115.356 115.700 0.148 0.000 2.531 171 S HA 0.280 4.747 4.470 -0.005 0.000 0.279 171 S C 0.863 175.497 174.600 0.057 0.000 1.305 171 S CA 0.177 58.481 58.200 0.173 0.000 1.058 171 S CB -0.187 63.215 63.200 0.337 0.000 0.899 171 S HN 0.669 nan 8.310 nan 0.000 0.493 172 T N 0.452 115.087 114.554 0.135 0.000 3.040 172 T HA 0.225 4.572 4.350 -0.005 0.000 0.266 172 T C 0.626 175.452 174.700 0.210 0.000 1.005 172 T CA 0.005 62.219 62.100 0.190 0.000 0.906 172 T CB -0.279 68.708 68.868 0.199 0.000 1.082 172 T HN 0.608 nan 8.240 nan 0.000 0.531 173 S N 1.006 116.802 115.700 0.160 0.000 2.579 173 S HA 0.369 4.836 4.470 -0.005 0.000 0.275 173 S C 1.431 176.083 174.600 0.087 0.000 1.345 173 S CA -0.787 57.485 58.200 0.120 0.000 1.031 173 S CB 0.289 63.555 63.200 0.110 0.000 0.892 173 S HN 0.268 nan 8.310 nan 0.000 0.529 174 I N 1.058 121.649 120.570 0.035 0.000 2.113 174 I HA -0.249 3.918 4.170 -0.005 0.000 0.242 174 I C 2.452 178.583 176.117 0.023 0.000 1.057 174 I CA 1.587 62.884 61.300 -0.004 0.000 1.314 174 I CB -0.568 37.407 38.000 -0.043 0.000 1.022 174 I HN 0.644 nan 8.210 nan 0.000 0.408 175 L N 0.429 121.675 121.223 0.038 0.000 1.994 175 L HA -0.249 4.088 4.340 -0.005 0.000 0.208 175 L C 2.537 179.463 176.870 0.094 0.000 1.071 175 L CA 1.902 56.774 54.840 0.052 0.000 0.745 175 L CB -0.780 41.310 42.059 0.052 0.000 0.892 175 L HN 0.249 nan 8.230 nan 0.000 0.431 176 Q N -0.749 119.136 119.800 0.143 0.000 2.119 176 Q HA -0.173 4.164 4.340 -0.005 0.000 0.201 176 Q C 2.268 178.449 176.000 0.303 0.000 0.972 176 Q CA 1.394 57.339 55.803 0.237 0.000 0.847 176 Q CB -0.124 28.808 28.738 0.324 0.000 0.903 176 Q HN 0.578 nan 8.270 nan 0.000 0.433 177 R N 0.334 120.954 120.500 0.200 0.000 2.096 177 R HA -0.127 4.210 4.340 -0.005 0.000 0.235 177 R C 2.331 178.715 176.300 0.140 0.000 1.127 177 R CA 1.176 57.374 56.100 0.163 0.000 0.968 177 R CB -0.243 30.087 30.300 0.050 0.000 0.861 177 R HN 0.160 nan 8.270 nan 0.000 0.440 178 R N 0.904 121.459 120.500 0.091 0.000 2.055 178 R HA -0.081 4.256 4.340 -0.005 0.000 0.226 178 R C 2.178 178.516 176.300 0.062 0.000 1.135 178 R CA 1.704 57.839 56.100 0.057 0.000 0.959 178 R CB 0.089 30.404 30.300 0.025 0.000 0.854 178 R HN 0.244 nan 8.270 nan 0.000 0.431 179 V N -2.443 117.509 119.914 0.064 0.000 3.431 179 V HA 0.129 4.246 4.120 -0.005 0.000 0.253 179 V C 1.631 177.736 176.094 0.020 0.000 1.184 179 V CA 0.309 62.631 62.300 0.036 0.000 1.104 179 V CB 0.797 32.635 31.823 0.025 0.000 0.799 179 V HN 0.069 nan 8.190 nan 0.000 0.462 180 V N -0.468 119.472 119.914 0.042 0.000 2.436 180 V HA 0.180 4.298 4.120 -0.005 0.000 0.240 180 V C 2.169 178.124 176.094 -0.231 0.000 1.040 180 V CA 1.862 64.102 62.300 -0.100 0.000 1.052 180 V CB -0.488 31.275 31.823 -0.100 0.000 0.707 180 V HN 0.474 nan 8.190 nan 0.000 0.469 181 F N -0.293 119.683 119.950 0.044 0.000 2.656 181 F HA 0.322 4.845 4.527 -0.006 0.000 0.291 181 F C 1.306 177.124 175.800 0.030 0.000 1.122 181 F CA -0.131 57.894 58.000 0.042 0.000 1.427 181 F CB -0.077 38.957 39.000 0.056 0.000 1.125 181 F HN -0.038 nan 8.300 nan 0.000 0.583 182 R N 0.061 120.665 120.500 0.173 0.000 3.333 182 R HA -0.144 4.193 4.340 -0.005 0.000 0.256 182 R C -0.459 175.904 176.300 0.105 0.000 1.010 182 R CA 0.375 56.536 56.100 0.102 0.000 0.680 182 R CB -2.153 28.182 30.300 0.058 0.000 1.102 182 R HN 0.244 nan 8.270 nan 0.000 0.440 183 A N 0.740 123.636 122.820 0.126 0.000 2.469 183 A HA 0.620 4.937 4.320 -0.005 0.000 0.299 183 A C -0.053 177.554 177.584 0.039 0.000 1.098 183 A CA -0.739 51.354 52.037 0.092 0.000 0.737 183 A CB 1.166 20.242 19.000 0.128 0.000 1.312 183 A HN 0.377 nan 8.150 nan 0.000 0.414 184 N N 0.074 118.782 118.700 0.013 0.000 2.448 184 N HA 0.354 5.091 4.740 -0.005 0.000 0.274 184 N C 0.565 176.046 175.510 -0.048 0.000 1.239 184 N CA -0.576 52.457 53.050 -0.028 0.000 0.982 184 N CB 0.340 38.812 38.487 -0.025 0.000 1.199 184 N HN 0.581 nan 8.380 nan 0.000 0.576 185 R N -0.855 119.569 120.500 -0.128 0.000 2.091 185 R HA -0.113 4.224 4.340 -0.005 0.000 0.238 185 R C 1.939 178.288 176.300 0.081 0.000 1.136 185 R CA 1.927 57.918 56.100 -0.182 0.000 0.959 185 R CB -0.784 29.285 30.300 -0.385 0.000 0.856 185 R HN 0.739 nan 8.270 nan 0.000 0.437 186 A N 1.041 123.888 122.820 0.045 0.000 1.898 186 A HA -0.188 4.129 4.320 -0.005 0.000 0.216 186 A C 1.904 179.522 177.584 0.057 0.000 1.181 186 A CA 1.405 53.481 52.037 0.065 0.000 0.620 186 A CB -0.298 18.723 19.000 0.035 0.000 0.819 186 A HN 0.318 nan 8.150 nan 0.000 0.442 187 E N -0.476 119.749 120.200 0.041 0.000 2.047 187 E HA -0.114 4.234 4.350 -0.005 0.000 0.191 187 E C 1.945 178.562 176.600 0.028 0.000 0.987 187 E CA 1.300 57.721 56.400 0.033 0.000 0.799 187 E CB -0.231 29.490 29.700 0.035 0.000 0.752 187 E HN 0.356 nan 8.360 nan 0.000 0.449 188 V N 1.211 121.147 119.914 0.037 0.000 2.427 188 V HA -0.275 3.842 4.120 -0.005 0.000 0.248 188 V C 2.434 178.559 176.094 0.051 0.000 1.051 188 V CA 1.945 64.251 62.300 0.009 0.000 1.048 188 V CB -0.422 31.418 31.823 0.028 0.000 0.666 188 V HN 0.295 nan 8.190 nan 0.000 0.456 189 Q N -0.011 119.856 119.800 0.111 0.000 2.119 189 Q HA -0.161 4.176 4.340 -0.005 0.000 0.201 189 Q C 2.224 178.221 176.000 -0.007 0.000 0.972 189 Q CA 1.697 57.522 55.803 0.035 0.000 0.847 189 Q CB -0.249 28.527 28.738 0.065 0.000 0.903 189 Q HN 0.622 nan 8.270 nan 0.000 0.433 190 A N 0.815 123.641 122.820 0.010 0.000 1.972 190 A HA -0.151 4.166 4.320 -0.005 0.000 0.219 190 A C 1.962 179.541 177.584 -0.009 0.000 1.169 190 A CA 1.126 53.160 52.037 -0.004 0.000 0.635 190 A CB -0.633 18.370 19.000 0.005 0.000 0.810 190 A HN 0.494 nan 8.150 nan 0.000 0.446 191 I N -0.204 120.363 120.570 -0.004 0.000 2.118 191 I HA -0.357 3.810 4.170 -0.005 0.000 0.241 191 I C 3.008 179.137 176.117 0.020 0.000 1.070 191 I CA 1.355 62.657 61.300 0.002 0.000 1.327 191 I CB -0.441 37.542 38.000 -0.028 0.000 1.034 191 I HN 0.382 nan 8.210 nan 0.000 0.405 192 A N 0.815 123.644 122.820 0.015 0.000 1.877 192 A HA -0.232 4.085 4.320 -0.005 0.000 0.216 192 A C 2.453 180.023 177.584 -0.022 0.000 1.186 192 A CA 2.599 54.641 52.037 0.009 0.000 0.620 192 A CB -1.268 17.614 19.000 -0.197 0.000 0.822 192 A HN 0.547 nan 8.150 nan 0.000 0.443 193 T N -2.458 112.055 114.554 -0.068 0.000 2.821 193 T HA -0.127 4.220 4.350 -0.005 0.000 0.267 193 T C 1.368 176.021 174.700 -0.078 0.000 1.046 193 T CA 1.506 63.565 62.100 -0.068 0.000 1.139 193 T CB -0.454 68.377 68.868 -0.061 0.000 0.871 193 T HN 0.325 nan 8.240 nan 0.000 0.454 194 D N 1.811 122.173 120.400 -0.063 0.000 2.117 194 D HA 0.021 4.658 4.640 -0.005 0.000 0.197 194 D C 2.456 178.681 176.300 -0.124 0.000 0.987 194 D CA 1.433 55.387 54.000 -0.076 0.000 0.829 194 D CB -1.012 39.761 40.800 -0.045 0.000 0.961 194 D HN 0.561 nan 8.370 nan 0.000 0.460 195 G N 0.842 109.575 108.800 -0.111 0.000 2.446 195 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.217 195 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.217 195 G C 1.724 176.297 174.900 -0.546 0.000 1.168 195 G CA 1.475 46.441 45.100 -0.224 0.000 0.771 195 G HN 0.407 nan 8.290 nan 0.000 0.551 196 A N 0.560 123.102 122.820 -0.464 0.000 1.902 196 A HA -0.009 4.308 4.320 -0.005 0.000 0.217 196 A C 2.437 179.767 177.584 -0.423 0.000 1.181 196 A CA 1.686 53.401 52.037 -0.536 0.000 0.623 196 A CB -0.412 18.526 19.000 -0.104 0.000 0.818 196 A HN 0.358 nan 8.150 nan 0.000 0.443 197 R N -0.807 119.531 120.500 -0.270 0.000 2.081 197 R HA -0.155 4.182 4.340 -0.005 0.000 0.235 197 R C 2.307 178.457 176.300 -0.250 0.000 1.131 197 R CA 1.691 57.662 56.100 -0.216 0.000 0.960 197 R CB -0.209 30.006 30.300 -0.142 0.000 0.856 197 R HN 0.414 nan 8.270 nan 0.000 0.436 198 K N 0.642 120.885 120.400 -0.261 0.000 2.057 198 K HA -0.118 4.199 4.320 -0.005 0.000 0.207 198 K C 1.888 178.281 176.600 -0.345 0.000 1.049 198 K CA 1.558 57.693 56.287 -0.254 0.000 0.931 198 K CB -0.523 31.859 32.500 -0.197 0.000 0.714 198 K HN 0.145 nan 8.250 nan 0.000 0.440 199 C N -0.584 118.462 119.300 -0.422 0.000 2.432 199 C HA -0.065 4.392 4.460 -0.005 0.000 0.277 199 C C 2.546 177.281 174.990 -0.426 0.000 1.249 199 C CA 0.883 59.661 59.018 -0.399 0.000 1.725 199 C CB -0.728 26.602 27.740 -0.683 0.000 2.028 199 C HN 0.308 nan 8.230 nan 0.000 0.477 200 V N 0.839 120.492 119.914 -0.435 0.000 2.332 200 V HA -0.251 3.866 4.120 -0.005 0.000 0.248 200 V C 2.529 178.498 176.094 -0.209 0.000 1.055 200 V CA 2.293 64.438 62.300 -0.258 0.000 1.038 200 V CB -0.794 30.904 31.823 -0.210 0.000 0.651 200 V HN 0.630 nan 8.190 nan 0.000 0.450 201 E N -0.248 119.803 120.200 -0.247 0.000 2.038 201 E HA -0.272 4.075 4.350 -0.005 0.000 0.195 201 E C 2.298 178.719 176.600 -0.298 0.000 1.000 201 E CA 1.513 57.780 56.400 -0.221 0.000 0.803 201 E CB -0.069 29.510 29.700 -0.201 0.000 0.750 201 E HN 0.568 nan 8.360 nan 0.000 0.448 202 Q N -0.175 119.309 119.800 -0.526 0.000 2.119 202 Q HA -0.094 4.243 4.340 -0.005 0.000 0.201 202 Q C 2.104 177.660 176.000 -0.739 0.000 0.972 202 Q CA 1.175 56.500 55.803 -0.797 0.000 0.847 202 Q CB -0.299 27.466 28.738 -1.622 0.000 0.903 202 Q HN 0.355 nan 8.270 nan 0.000 0.433 203 A N 1.262 123.679 122.820 -0.673 0.000 1.902 203 A HA -0.098 4.219 4.320 -0.005 0.000 0.217 203 A C 2.315 179.932 177.584 0.056 0.000 1.181 203 A CA 1.836 53.694 52.037 -0.297 0.000 0.623 203 A CB -0.628 18.444 19.000 0.120 0.000 0.818 203 A HN 0.361 nan 8.150 nan 0.000 0.443 204 A N -0.874 121.945 122.820 -0.001 0.000 2.070 204 A HA 0.119 4.436 4.320 -0.005 0.000 0.220 204 A C 2.219 179.819 177.584 0.026 0.000 1.159 204 A CA 2.290 54.352 52.037 0.041 0.000 0.656 204 A CB -0.660 18.336 19.000 -0.007 0.000 0.800 204 A HN 0.692 nan 8.150 nan 0.000 0.453 205 K N -1.560 118.822 120.400 -0.031 0.000 2.361 205 K HA 0.201 4.519 4.320 -0.005 0.000 0.196 205 K C 0.035 176.525 176.600 -0.182 0.000 1.039 205 K CA 0.464 56.668 56.287 -0.139 0.000 1.001 205 K CB -0.415 31.928 32.500 -0.262 0.000 0.795 205 K HN 0.582 nan 8.250 nan 0.000 0.495 206 Y N 1.739 122.142 120.300 0.172 0.000 2.712 206 Y HA 0.279 4.827 4.550 -0.005 0.000 0.328 206 Y C -2.312 173.844 175.900 0.426 0.000 0.995 206 Y CA -3.132 55.186 58.100 0.365 0.000 1.283 206 Y CB 1.430 40.278 38.460 0.647 0.000 1.092 206 Y HN 0.081 nan 8.280 nan 0.000 0.519 207 P HA 0.270 nan 4.420 nan 0.000 0.274 207 P C 0.881 178.288 177.300 0.178 0.000 1.246 207 P CA 0.794 64.031 63.100 0.228 0.000 0.795 207 P CB 1.792 33.568 31.700 0.125 0.000 1.006 208 G N 0.375 109.234 108.800 0.098 0.000 3.329 208 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.220 208 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.220 208 G C 0.281 175.133 174.900 -0.080 0.000 1.358 208 G CA 0.417 45.526 45.100 0.016 0.000 0.856 208 G HN 0.718 nan 8.290 nan 0.000 0.551 209 T N 3.628 118.079 114.554 -0.172 0.000 2.908 209 T HA 0.385 4.732 4.350 -0.005 0.000 0.301 209 T C 0.208 174.572 174.700 -0.561 0.000 1.019 209 T CA 0.464 62.241 62.100 -0.539 0.000 1.152 209 T CB 0.970 69.164 68.868 -1.124 0.000 0.966 209 T HN 0.362 nan 8.240 nan 0.000 0.540 210 Q N 2.950 122.478 119.800 -0.454 0.000 2.423 210 Q HA 0.138 4.475 4.340 -0.005 0.000 0.235 210 Q C -0.665 175.131 176.000 -0.340 0.000 1.100 210 Q CA 0.048 55.685 55.803 -0.276 0.000 0.908 210 Q CB 0.220 28.857 28.738 -0.169 0.000 1.312 210 Q HN 0.633 nan 8.270 nan 0.000 0.497 211 W N 2.705 123.949 121.300 -0.094 0.000 2.272 211 W HA 0.314 4.972 4.660 -0.005 0.000 0.318 211 W C 0.756 177.000 176.519 -0.459 0.000 1.255 211 W CA -0.409 56.775 57.345 -0.269 0.000 1.200 211 W CB 0.932 30.305 29.460 -0.145 0.000 1.170 211 W HN 0.199 nan 8.180 nan 0.000 0.549 212 R N 2.085 122.354 120.500 -0.386 0.000 2.795 212 R HA 0.631 4.968 4.340 -0.005 0.000 0.275 212 R C -1.445 174.478 176.300 -0.627 0.000 0.981 212 R CA -1.162 54.694 56.100 -0.406 0.000 0.917 212 R CB 1.975 32.176 30.300 -0.164 0.000 1.202 212 R HN 0.325 nan 8.270 nan 0.000 0.469 213 F N 0.224 120.270 119.950 0.159 0.000 2.546 213 F HA 0.405 4.929 4.527 -0.005 0.000 0.320 213 F C 0.135 175.984 175.800 0.082 0.000 1.076 213 F CA -0.711 57.421 58.000 0.219 0.000 0.928 213 F CB 2.227 41.436 39.000 0.348 0.000 1.189 213 F HN 0.373 nan 8.300 nan 0.000 0.465 214 E N 1.933 122.297 120.200 0.273 0.000 2.256 214 E HA 0.312 4.659 4.350 -0.005 0.000 0.268 214 E C -2.164 174.383 176.600 -0.089 0.000 0.877 214 E CA -0.776 55.621 56.400 -0.005 0.000 0.757 214 E CB 1.908 31.496 29.700 -0.187 0.000 1.183 214 E HN 0.605 nan 8.360 nan 0.000 0.418 215 Y N 2.413 122.547 120.300 -0.277 0.000 2.364 215 Y HA 0.511 5.058 4.550 -0.005 0.000 0.340 215 Y C -1.371 174.509 175.900 -0.034 0.000 0.975 215 Y CA -0.688 57.178 58.100 -0.388 0.000 1.089 215 Y CB 1.997 40.237 38.460 -0.366 0.000 1.192 215 Y HN 0.379 nan 8.280 nan 0.000 0.454 216 S N 8.170 123.316 115.700 -0.924 0.000 2.498 216 S HA 0.392 4.859 4.470 -0.005 0.000 0.317 216 S C -2.946 171.056 174.600 -0.998 0.000 1.090 216 S CA -1.484 56.302 58.200 -0.689 0.000 1.089 216 S CB 1.497 64.604 63.200 -0.154 0.000 0.997 216 S HN 0.467 nan 8.310 nan 0.000 0.470 217 P HA 0.121 nan 4.420 nan 0.000 0.273 217 P C -0.152 177.143 177.300 -0.008 0.000 1.428 217 P CA -0.217 62.791 63.100 -0.153 0.000 0.995 217 P CB 0.222 31.956 31.700 0.058 0.000 1.286 218 E N 2.627 122.846 120.200 0.031 0.000 2.415 218 E HA 0.020 4.367 4.350 -0.005 0.000 0.262 218 E C 0.076 176.752 176.600 0.127 0.000 1.038 218 E CA 0.355 56.795 56.400 0.068 0.000 0.921 218 E CB 0.284 30.088 29.700 0.173 0.000 0.950 218 E HN 0.357 nan 8.360 nan 0.000 0.438 219 S N 2.339 118.109 115.700 0.117 0.000 3.635 219 S HA -0.272 4.195 4.470 -0.005 0.000 0.328 219 S C 0.511 175.215 174.600 0.174 0.000 1.135 219 S CA 1.008 59.294 58.200 0.144 0.000 0.942 219 S CB -2.191 61.096 63.200 0.146 0.000 0.930 219 S HN 0.718 nan 8.310 nan 0.000 0.512 220 Y N 2.610 122.950 120.300 0.066 0.000 2.139 220 Y HA -0.309 4.239 4.550 -0.002 0.000 0.282 220 Y C 2.391 178.375 175.900 0.140 0.000 1.179 220 Y CA 2.592 60.743 58.100 0.085 0.000 1.161 220 Y CB -0.949 37.550 38.460 0.065 0.000 0.970 220 Y HN 0.612 nan 8.280 nan 0.000 0.511 221 T N -2.939 111.640 114.554 0.041 0.000 2.929 221 T HA -0.054 4.293 4.350 -0.005 0.000 0.271 221 T C 1.853 176.620 174.700 0.112 0.000 1.085 221 T CA 1.014 63.123 62.100 0.016 0.000 1.125 221 T CB -0.924 68.048 68.868 0.174 0.000 0.874 221 T HN 0.461 nan 8.240 nan 0.000 0.494 222 G N 0.608 109.454 108.800 0.076 0.000 3.284 222 G HA2 0.336 4.293 3.960 -0.005 0.000 0.236 222 G HA3 0.336 4.293 3.960 -0.005 0.000 0.236 222 G C 0.121 175.017 174.900 -0.007 0.000 1.158 222 G CA -0.323 44.805 45.100 0.046 0.000 0.774 222 G HN 0.498 nan 8.290 nan 0.000 0.545 223 T N 1.024 115.559 114.554 -0.030 0.000 2.859 223 T HA 0.419 4.766 4.350 -0.005 0.000 0.281 223 T C -0.561 174.109 174.700 -0.050 0.000 1.005 223 T CA -0.529 61.578 62.100 0.011 0.000 1.025 223 T CB 2.158 71.081 68.868 0.092 0.000 0.977 223 T HN 0.141 nan 8.240 nan 0.000 0.458 224 E N 1.866 122.070 120.200 0.007 0.000 2.376 224 E HA 0.126 4.473 4.350 -0.005 0.000 0.266 224 E C 1.025 177.608 176.600 -0.028 0.000 1.009 224 E CA -0.127 56.248 56.400 -0.042 0.000 0.902 224 E CB 0.375 30.069 29.700 -0.010 0.000 0.972 224 E HN 0.481 nan 8.360 nan 0.000 0.439 225 L N 2.469 123.594 121.223 -0.164 0.000 2.042 225 L HA -0.267 4.070 4.340 -0.005 0.000 0.210 225 L C 2.620 179.466 176.870 -0.040 0.000 1.076 225 L CA 1.992 56.724 54.840 -0.181 0.000 0.749 225 L CB -0.836 40.883 42.059 -0.568 0.000 0.893 225 L HN 0.796 nan 8.230 nan 0.000 0.432 226 E N -0.302 119.839 120.200 -0.099 0.000 2.118 226 E HA -0.325 4.022 4.350 -0.005 0.000 0.195 226 E C 1.900 178.624 176.600 0.208 0.000 0.992 226 E CA 1.766 58.254 56.400 0.147 0.000 0.804 226 E CB -1.185 28.575 29.700 0.100 0.000 0.741 226 E HN 0.697 nan 8.360 nan 0.000 0.458 227 Y N 0.235 120.559 120.300 0.039 0.000 2.220 227 Y HA 0.130 4.678 4.550 -0.004 0.000 0.291 227 Y C 2.835 178.779 175.900 0.073 0.000 1.129 227 Y CA 1.449 59.575 58.100 0.043 0.000 1.161 227 Y CB -0.179 38.290 38.460 0.014 0.000 0.997 227 Y HN 0.323 nan 8.280 nan 0.000 0.522 228 A N 0.772 123.590 122.820 -0.003 0.000 1.902 228 A HA -0.233 4.084 4.320 -0.005 0.000 0.217 228 A C 2.256 179.820 177.584 -0.034 0.000 1.181 228 A CA 1.954 53.980 52.037 -0.018 0.000 0.623 228 A CB -0.760 18.379 19.000 0.231 0.000 0.818 228 A HN 0.528 nan 8.150 nan 0.000 0.443 229 K N -0.391 120.064 120.400 0.090 0.000 2.057 229 K HA -0.223 4.095 4.320 -0.005 0.000 0.207 229 K C 2.190 178.756 176.600 -0.057 0.000 1.049 229 K CA 1.751 58.071 56.287 0.055 0.000 0.931 229 K CB -0.254 32.393 32.500 0.244 0.000 0.714 229 K HN 0.644 nan 8.250 nan 0.000 0.440 230 Q N 0.174 119.954 119.800 -0.033 0.000 2.061 230 Q HA -0.150 4.187 4.340 -0.005 0.000 0.204 230 Q C 2.180 178.088 176.000 -0.153 0.000 0.984 230 Q CA 1.855 57.624 55.803 -0.056 0.000 0.846 230 Q CB -0.053 28.701 28.738 0.027 0.000 0.902 230 Q HN 0.152 nan 8.270 nan 0.000 0.421 231 V N 0.094 119.835 119.914 -0.288 0.000 2.307 231 V HA -0.310 3.808 4.120 -0.005 0.000 0.245 231 V C 2.389 178.315 176.094 -0.279 0.000 1.045 231 V CA 1.527 63.648 62.300 -0.299 0.000 1.024 231 V CB -0.609 30.987 31.823 -0.379 0.000 0.651 231 V HN 0.526 nan 8.190 nan 0.000 0.449 232 C N 0.209 119.319 119.300 -0.317 0.000 2.413 232 C HA -0.194 4.263 4.460 -0.005 0.000 0.276 232 C C 2.582 177.316 174.990 -0.427 0.000 1.236 232 C CA 1.151 59.783 59.018 -0.642 0.000 1.735 232 C CB -1.125 25.904 27.740 -1.185 0.000 2.031 232 C HN 0.598 nan 8.230 nan 0.000 0.474 233 D N 0.714 120.960 120.400 -0.257 0.000 2.123 233 D HA -0.100 4.537 4.640 -0.005 0.000 0.196 233 D C 2.272 178.566 176.300 -0.011 0.000 0.992 233 D CA 1.800 55.758 54.000 -0.069 0.000 0.833 233 D CB -0.516 40.253 40.800 -0.051 0.000 0.954 233 D HN 0.521 nan 8.370 nan 0.000 0.455 234 A N 0.318 123.102 122.820 -0.060 0.000 1.930 234 A HA -0.107 4.211 4.320 -0.005 0.000 0.217 234 A C 2.519 180.087 177.584 -0.028 0.000 1.175 234 A CA 1.035 53.047 52.037 -0.042 0.000 0.627 234 A CB -0.660 18.302 19.000 -0.064 0.000 0.815 234 A HN 0.145 nan 8.150 nan 0.000 0.443 235 V N -0.053 119.827 119.914 -0.056 0.000 2.343 235 V HA -0.181 3.936 4.120 -0.005 0.000 0.247 235 V C 2.825 179.008 176.094 0.148 0.000 1.051 235 V CA 1.982 64.284 62.300 0.003 0.000 1.036 235 V CB -1.374 30.370 31.823 -0.132 0.000 0.654 235 V HN 0.609 nan 8.190 nan 0.000 0.451 236 G N -0.539 108.430 108.800 0.280 0.000 2.440 236 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.218 236 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.218 236 G C 1.455 176.432 174.900 0.128 0.000 1.154 236 G CA 0.683 45.947 45.100 0.272 0.000 0.767 236 G HN 0.477 nan 8.290 nan 0.000 0.552 237 E N 0.348 120.600 120.200 0.087 0.000 2.160 237 E HA -0.094 4.254 4.350 -0.005 0.000 0.195 237 E C 2.834 179.449 176.600 0.025 0.000 0.991 237 E CA 0.769 57.196 56.400 0.046 0.000 0.810 237 E CB -0.394 29.322 29.700 0.027 0.000 0.742 237 E HN 0.360 nan 8.360 nan 0.000 0.466 238 V N 1.631 121.553 119.914 0.014 0.000 2.270 238 V HA -0.214 3.903 4.120 -0.005 0.000 0.245 238 V C 2.354 178.432 176.094 -0.026 0.000 1.043 238 V CA 1.186 63.474 62.300 -0.021 0.000 1.014 238 V CB -0.320 31.472 31.823 -0.052 0.000 0.645 238 V HN 0.209 nan 8.190 nan 0.000 0.447 239 I N 0.181 120.750 120.570 -0.001 0.000 2.439 239 I HA 0.006 4.173 4.170 -0.005 0.000 0.251 239 I C 1.535 177.685 176.117 0.056 0.000 1.139 239 I CA 1.235 62.535 61.300 0.001 0.000 1.438 239 I CB -1.530 36.505 38.000 0.059 0.000 1.085 239 I HN 0.429 nan 8.210 nan 0.000 0.427 240 A N 1.572 124.426 122.820 0.057 0.000 2.416 240 A HA -0.135 4.182 4.320 -0.005 0.000 0.293 240 A C -1.753 175.875 177.584 0.074 0.000 1.452 240 A CA 0.015 52.087 52.037 0.059 0.000 0.738 240 A CB -2.199 16.829 19.000 0.046 0.000 1.123 240 A HN 0.335 nan 8.150 nan 0.000 0.389 241 P HA 0.588 nan 4.420 nan 0.000 0.276 241 P C 0.223 177.551 177.300 0.047 0.000 1.252 241 P CA 0.592 63.731 63.100 0.066 0.000 0.802 241 P CB 1.148 32.869 31.700 0.035 0.000 1.035 242 T N -4.325 110.253 114.554 0.040 0.000 2.887 242 T HA 0.445 4.792 4.350 -0.005 0.000 0.292 242 T C -2.320 172.391 174.700 0.018 0.000 1.087 242 T CA -2.104 60.014 62.100 0.029 0.000 1.009 242 T CB 1.192 70.079 68.868 0.032 0.000 1.203 242 T HN 0.008 nan 8.240 nan 0.000 0.518 243 P HA -0.037 nan 4.420 nan 0.000 0.218 243 P C 0.944 178.246 177.300 0.004 0.000 1.148 243 P CA 1.078 64.181 63.100 0.006 0.000 0.822 243 P CB 0.076 31.780 31.700 0.006 0.000 0.784 244 E N -1.023 119.182 120.200 0.008 0.000 2.158 244 E HA -0.014 4.333 4.350 -0.005 0.000 0.191 244 E C 0.735 177.339 176.600 0.008 0.000 0.982 244 E CA 0.818 57.222 56.400 0.007 0.000 0.823 244 E CB -0.114 29.592 29.700 0.011 0.000 0.766 244 E HN 0.186 nan 8.360 nan 0.000 0.468 245 R N 1.021 121.531 120.500 0.017 0.000 2.629 245 R HA 0.241 4.579 4.340 -0.005 0.000 0.277 245 R C -2.548 173.768 176.300 0.027 0.000 1.637 245 R CA -1.396 54.720 56.100 0.025 0.000 1.663 245 R CB 1.236 31.566 30.300 0.050 0.000 1.228 245 R HN 0.120 nan 8.270 nan 0.000 0.632 246 P HA 0.152 nan 4.420 nan 0.000 0.276 246 P C -0.150 177.129 177.300 -0.036 0.000 1.252 246 P CA -0.354 62.733 63.100 -0.021 0.000 0.802 246 P CB 1.513 33.190 31.700 -0.037 0.000 1.035 247 I N 0.722 121.226 120.570 -0.109 0.000 2.577 247 I HA 0.340 4.507 4.170 -0.005 0.000 0.305 247 I C -0.147 175.779 176.117 -0.318 0.000 0.986 247 I CA -1.494 59.691 61.300 -0.191 0.000 1.189 247 I CB 0.868 38.669 38.000 -0.332 0.000 1.355 247 I HN 0.160 nan 8.210 nan 0.000 0.476 248 I N 6.772 127.177 120.570 -0.275 0.000 2.315 248 I HA 0.233 4.400 4.170 -0.005 0.000 0.291 248 I C -0.964 174.955 176.117 -0.329 0.000 1.006 248 I CA -0.175 60.973 61.300 -0.254 0.000 1.265 248 I CB 0.741 38.642 38.000 -0.164 0.000 1.387 248 I HN 0.361 nan 8.210 nan 0.000 0.475 249 F N 4.863 124.783 119.950 -0.051 0.000 2.385 249 F HA 0.309 4.834 4.527 -0.004 0.000 0.360 249 F C 0.354 176.059 175.800 -0.159 0.000 1.122 249 F CA -0.715 57.238 58.000 -0.077 0.000 1.090 249 F CB 1.121 40.102 39.000 -0.031 0.000 1.150 249 F HN 0.459 nan 8.300 nan 0.000 0.472 250 N N 4.771 123.448 118.700 -0.038 0.000 2.408 250 N HA 0.451 5.188 4.740 -0.005 0.000 0.280 250 N C -1.425 173.966 175.510 -0.198 0.000 1.002 250 N CA -0.407 52.557 53.050 -0.144 0.000 0.907 250 N CB 0.909 39.247 38.487 -0.248 0.000 1.161 250 N HN 0.559 nan 8.380 nan 0.000 0.488 251 L N 5.303 126.381 121.223 -0.241 0.000 2.387 251 L HA 0.486 4.823 4.340 -0.005 0.000 0.259 251 L C -2.206 174.563 176.870 -0.168 0.000 1.050 251 L CA -1.747 52.786 54.840 -0.511 0.000 0.922 251 L CB 1.235 42.689 42.059 -1.010 0.000 1.280 251 L HN 0.411 nan 8.230 nan 0.000 0.449 252 P HA 0.167 nan 4.420 nan 0.000 0.284 252 P C -0.422 176.980 177.300 0.169 0.000 1.253 252 P CA -0.488 62.634 63.100 0.036 0.000 0.800 252 P CB 1.830 33.430 31.700 -0.167 0.000 0.961 253 A N 2.923 125.749 122.820 0.009 0.000 3.004 253 A HA 0.232 4.549 4.320 -0.005 0.000 0.286 253 A C 1.472 178.971 177.584 -0.141 0.000 1.632 253 A CA -0.088 51.917 52.037 -0.054 0.000 1.339 253 A CB -1.198 17.617 19.000 -0.309 0.000 1.136 253 A HN 0.497 nan 8.150 nan 0.000 0.577 254 T N 0.064 114.588 114.554 -0.050 0.000 2.720 254 T HA -0.066 4.281 4.350 -0.005 0.000 0.268 254 T C 0.791 175.641 174.700 0.249 0.000 1.037 254 T CA 1.580 63.693 62.100 0.021 0.000 1.144 254 T CB -0.127 68.782 68.868 0.070 0.000 0.864 254 T HN 0.296 nan 8.240 nan 0.000 0.444 255 V N 1.502 121.507 119.914 0.151 0.000 2.495 255 V HA 0.298 4.415 4.120 -0.005 0.000 0.298 255 V C -0.092 176.049 176.094 0.079 0.000 1.031 255 V CA -1.267 61.118 62.300 0.140 0.000 0.871 255 V CB 1.872 33.769 31.823 0.122 0.000 0.988 255 V HN 0.281 nan 8.190 nan 0.000 0.432 256 E N 3.926 124.155 120.200 0.048 0.000 2.104 256 E HA 0.194 4.541 4.350 -0.005 0.000 0.278 256 E C 0.533 177.128 176.600 -0.009 0.000 1.127 256 E CA -0.052 56.328 56.400 -0.033 0.000 0.897 256 E CB 0.657 30.323 29.700 -0.057 0.000 1.043 256 E HN 0.676 nan 8.360 nan 0.000 0.410 257 M N 2.646 122.240 119.600 -0.009 0.000 2.516 257 M HA 0.099 4.576 4.480 -0.005 0.000 0.259 257 M C 0.905 177.185 176.300 -0.033 0.000 1.146 257 M CA 0.369 55.706 55.300 0.063 0.000 1.122 257 M CB 0.899 33.656 32.600 0.262 0.000 1.341 257 M HN 0.426 nan 8.290 nan 0.000 0.478 258 T N -0.591 113.833 114.554 -0.217 0.000 2.626 258 T HA 0.285 4.632 4.350 -0.005 0.000 0.299 258 T C -0.837 173.746 174.700 -0.194 0.000 1.181 258 T CA -0.568 61.376 62.100 -0.260 0.000 1.053 258 T CB 1.161 69.674 68.868 -0.592 0.000 1.566 258 T HN 0.260 nan 8.240 nan 0.000 0.486 259 T N 1.698 116.162 114.554 -0.149 0.000 2.918 259 T HA 0.338 4.685 4.350 -0.005 0.000 0.302 259 T C -1.621 173.028 174.700 -0.085 0.000 1.045 259 T CA -1.044 61.007 62.100 -0.083 0.000 1.114 259 T CB 0.696 69.545 68.868 -0.032 0.000 0.965 259 T HN 0.436 nan 8.240 nan 0.000 0.540 260 P HA -0.142 nan 4.420 nan 0.000 0.220 260 P C 1.330 178.554 177.300 -0.127 0.000 1.148 260 P CA 0.980 64.040 63.100 -0.067 0.000 0.803 260 P CB -0.042 31.618 31.700 -0.067 0.000 0.782 261 N N 0.527 119.166 118.700 -0.101 0.000 2.166 261 N HA -0.091 4.646 4.740 -0.005 0.000 0.186 261 N C 1.597 177.096 175.510 -0.019 0.000 1.019 261 N CA 1.219 54.211 53.050 -0.097 0.000 0.856 261 N CB -1.474 37.181 38.487 0.281 0.000 0.993 261 N HN 0.064 nan 8.380 nan 0.000 0.426 262 V N 0.533 120.440 119.914 -0.011 0.000 2.379 262 V HA -0.182 3.935 4.120 -0.005 0.000 0.245 262 V C 2.280 178.351 176.094 -0.038 0.000 1.044 262 V CA 1.281 63.568 62.300 -0.023 0.000 1.036 262 V CB -1.025 30.713 31.823 -0.141 0.000 0.664 262 V HN 0.182 nan 8.190 nan 0.000 0.453 263 Y N 1.732 121.919 120.300 -0.188 0.000 2.128 263 Y HA -0.272 4.275 4.550 -0.006 0.000 0.284 263 Y C 2.426 178.257 175.900 -0.116 0.000 1.154 263 Y CA 1.648 59.675 58.100 -0.122 0.000 1.149 263 Y CB -0.655 37.734 38.460 -0.117 0.000 0.976 263 Y HN 0.148 nan 8.280 nan 0.000 0.505 264 A N 0.075 122.726 122.820 -0.281 0.000 1.908 264 A HA -0.222 4.095 4.320 -0.005 0.000 0.218 264 A C 2.000 179.379 177.584 -0.342 0.000 1.181 264 A CA 2.056 53.747 52.037 -0.577 0.000 0.627 264 A CB -0.952 17.258 19.000 -1.318 0.000 0.818 264 A HN 0.543 nan 8.150 nan 0.000 0.445 265 D N -0.003 120.363 120.400 -0.057 0.000 2.123 265 D HA -0.160 4.478 4.640 -0.005 0.000 0.196 265 D C 2.514 178.913 176.300 0.164 0.000 0.992 265 D CA 1.930 56.075 54.000 0.242 0.000 0.833 265 D CB -0.394 40.565 40.800 0.265 0.000 0.954 265 D HN 0.588 nan 8.370 nan 0.000 0.455 266 S N 0.383 116.119 115.700 0.060 0.000 2.370 266 S HA -0.146 4.321 4.470 -0.005 0.000 0.226 266 S C 2.073 176.770 174.600 0.162 0.000 1.033 266 S CA 0.696 58.962 58.200 0.111 0.000 1.011 266 S CB -0.339 62.891 63.200 0.049 0.000 0.852 266 S HN 0.103 nan 8.310 nan 0.000 0.457 267 I N 2.393 122.932 120.570 -0.052 0.000 2.179 267 I HA -0.092 4.075 4.170 -0.005 0.000 0.242 267 I C 2.807 178.953 176.117 0.047 0.000 1.088 267 I CA 1.685 62.937 61.300 -0.080 0.000 1.357 267 I CB -1.596 36.250 38.000 -0.258 0.000 1.051 267 I HN 0.539 nan 8.210 nan 0.000 0.409 268 E N -0.084 120.173 120.200 0.097 0.000 2.077 268 E HA -0.288 4.059 4.350 -0.005 0.000 0.193 268 E C 2.329 179.028 176.600 0.165 0.000 0.989 268 E CA 1.507 57.997 56.400 0.150 0.000 0.800 268 E CB -0.314 29.545 29.700 0.264 0.000 0.746 268 E HN 0.457 nan 8.360 nan 0.000 0.452 269 W N 0.563 121.901 121.300 0.063 0.000 2.355 269 W HA -0.226 4.434 4.660 -0.001 0.000 0.309 269 W C 2.037 178.583 176.519 0.045 0.000 1.206 269 W CA 1.600 58.980 57.345 0.058 0.000 1.284 269 W CB -0.050 29.451 29.460 0.067 0.000 1.145 269 W HN 0.113 nan 8.180 nan 0.000 0.502 270 M N -0.396 119.402 119.600 0.331 0.000 2.117 270 M HA -0.199 4.278 4.480 -0.005 0.000 0.262 270 M C 2.317 178.591 176.300 -0.042 0.000 1.065 270 M CA 1.932 57.320 55.300 0.146 0.000 1.114 270 M CB -1.888 30.828 32.600 0.194 0.000 1.361 270 M HN 0.077 nan 8.290 nan 0.000 0.408 271 S N 0.022 115.715 115.700 -0.012 0.000 2.382 271 S HA -0.091 4.376 4.470 -0.005 0.000 0.228 271 S C 1.985 176.536 174.600 -0.082 0.000 1.027 271 S CA 1.093 59.276 58.200 -0.027 0.000 0.991 271 S CB -0.032 63.168 63.200 -0.000 0.000 0.823 271 S HN 0.427 nan 8.310 nan 0.000 0.469 272 R N 0.433 120.848 120.500 -0.142 0.000 2.193 272 R HA 0.184 4.521 4.340 -0.005 0.000 0.213 272 R C 1.499 177.617 176.300 -0.305 0.000 1.055 272 R CA 0.870 56.852 56.100 -0.197 0.000 0.995 272 R CB -0.102 30.073 30.300 -0.208 0.000 0.893 272 R HN 0.459 nan 8.270 nan 0.000 0.459 273 N N -0.078 118.350 118.700 -0.453 0.000 2.332 273 N HA 0.094 4.831 4.740 -0.005 0.000 0.190 273 N C 0.215 175.542 175.510 -0.306 0.000 1.117 273 N CA -0.062 52.663 53.050 -0.541 0.000 0.883 273 N CB 0.765 38.527 38.487 -1.208 0.000 1.089 273 N HN 0.026 nan 8.380 nan 0.000 0.480 274 L N 1.922 123.023 121.223 -0.204 0.000 2.514 274 L HA 0.038 4.375 4.340 -0.005 0.000 0.280 274 L C 0.830 177.673 176.870 -0.045 0.000 1.223 274 L CA -0.349 54.435 54.840 -0.093 0.000 0.864 274 L CB 0.367 42.414 42.059 -0.019 0.000 1.118 274 L HN 0.066 nan 8.230 nan 0.000 0.494 275 A N 2.938 125.751 122.820 -0.012 0.000 2.366 275 A HA 0.185 4.503 4.320 -0.005 0.000 0.249 275 A C 0.901 178.520 177.584 0.057 0.000 1.084 275 A CA -0.067 51.978 52.037 0.013 0.000 0.794 275 A CB 0.147 19.158 19.000 0.019 0.000 1.034 275 A HN 0.926 nan 8.150 nan 0.000 0.491 276 N N -1.252 117.473 118.700 0.041 0.000 2.727 276 N HA -0.190 4.547 4.740 -0.005 0.000 0.249 276 N C 0.704 176.247 175.510 0.055 0.000 1.048 276 N CA 1.101 54.181 53.050 0.049 0.000 0.714 276 N CB -0.767 37.761 38.487 0.068 0.000 0.959 276 N HN 0.767 nan 8.380 nan 0.000 0.544 277 R N 1.053 121.576 120.500 0.038 0.000 2.127 277 R HA -0.050 4.287 4.340 -0.005 0.000 0.238 277 R C 1.766 178.081 176.300 0.025 0.000 1.134 277 R CA 2.247 58.368 56.100 0.036 0.000 0.975 277 R CB -0.308 29.997 30.300 0.009 0.000 0.865 277 R HN 0.616 nan 8.270 nan 0.000 0.447 278 E N -0.722 119.488 120.200 0.016 0.000 2.265 278 E HA -0.076 4.271 4.350 -0.005 0.000 0.196 278 E C 0.288 176.892 176.600 0.008 0.000 0.996 278 E CA 1.173 57.578 56.400 0.009 0.000 0.832 278 E CB 0.101 29.805 29.700 0.006 0.000 0.756 278 E HN 0.299 nan 8.360 nan 0.000 0.491 279 S N -0.097 115.611 115.700 0.013 0.000 2.572 279 S HA 0.156 4.623 4.470 -0.005 0.000 0.228 279 S C -0.270 174.316 174.600 -0.023 0.000 0.963 279 S CA -0.315 57.887 58.200 0.003 0.000 0.939 279 S CB 1.141 64.350 63.200 0.017 0.000 0.804 279 S HN -0.049 nan 8.310 nan 0.000 0.480 280 V N 2.240 122.147 119.914 -0.012 0.000 2.495 280 V HA 0.471 4.588 4.120 -0.005 0.000 0.298 280 V C -0.474 175.602 176.094 -0.030 0.000 1.031 280 V CA -0.719 61.558 62.300 -0.038 0.000 0.871 280 V CB 1.815 33.691 31.823 0.087 0.000 0.988 280 V HN 0.287 nan 8.190 nan 0.000 0.432 281 I N 5.413 125.940 120.570 -0.071 0.000 2.307 281 I HA 0.298 4.465 4.170 -0.005 0.000 0.289 281 I C -0.585 175.513 176.117 -0.032 0.000 1.021 281 I CA -0.546 60.725 61.300 -0.049 0.000 1.224 281 I CB 1.418 39.376 38.000 -0.070 0.000 1.376 281 I HN 0.371 nan 8.210 nan 0.000 0.470 282 L N 6.909 128.135 121.223 0.005 0.000 2.278 282 L HA 0.361 4.698 4.340 -0.005 0.000 0.287 282 L C 0.129 176.991 176.870 -0.014 0.000 1.072 282 L CA 0.587 55.440 54.840 0.021 0.000 0.819 282 L CB 1.078 43.157 42.059 0.033 0.000 1.176 282 L HN 0.530 nan 8.230 nan 0.000 0.435 283 S N 5.389 121.068 115.700 -0.035 0.000 2.501 283 S HA 0.748 5.215 4.470 -0.005 0.000 0.301 283 S C -0.685 173.893 174.600 -0.037 0.000 1.096 283 S CA -0.751 57.417 58.200 -0.052 0.000 1.063 283 S CB 0.715 63.868 63.200 -0.078 0.000 1.042 283 S HN 0.550 nan 8.310 nan 0.000 0.494 284 L N 3.806 125.029 121.223 0.001 0.000 2.325 284 L HA 0.525 4.863 4.340 -0.005 0.000 0.278 284 L C -0.471 176.456 176.870 0.095 0.000 1.023 284 L CA -0.745 54.147 54.840 0.087 0.000 0.811 284 L CB 1.605 43.750 42.059 0.143 0.000 1.249 284 L HN 0.860 nan 8.230 nan 0.000 0.431 285 H N 2.638 121.704 119.070 -0.007 0.000 2.538 285 H HA 0.342 4.895 4.556 -0.005 0.000 0.239 285 H C -2.719 172.496 175.328 -0.188 0.000 1.401 285 H CA -1.402 54.595 56.048 -0.084 0.000 1.499 285 H CB 1.091 30.784 29.762 -0.114 0.000 1.624 285 H HN 0.271 nan 8.280 nan 0.000 0.524 286 P HA 0.206 nan 4.420 nan 0.000 0.297 286 P C -0.494 176.732 177.300 -0.123 0.000 1.331 286 P CA -0.205 62.743 63.100 -0.253 0.000 0.803 286 P CB 0.895 32.408 31.700 -0.311 0.000 0.929 287 H N 1.352 120.376 119.070 -0.077 0.000 2.534 287 H HA 0.261 4.814 4.556 -0.005 0.000 0.364 287 H C 0.649 175.927 175.328 -0.083 0.000 1.328 287 H CA -0.475 55.541 56.048 -0.054 0.000 1.415 287 H CB 0.758 30.521 29.762 0.002 0.000 1.573 287 H HN 0.302 nan 8.280 nan 0.000 0.601 288 N N -0.037 118.710 118.700 0.079 0.000 2.338 288 N HA 0.023 4.760 4.740 -0.005 0.000 0.251 288 N C -0.332 175.171 175.510 -0.012 0.000 1.199 288 N CA -0.024 53.027 53.050 0.001 0.000 0.879 288 N CB 0.158 38.637 38.487 -0.013 0.000 1.159 288 N HN 0.487 nan 8.380 nan 0.000 0.514 289 D N -0.328 120.076 120.400 0.006 0.000 2.190 289 D HA -0.110 4.527 4.640 -0.005 0.000 0.200 289 D C 1.098 177.384 176.300 -0.023 0.000 0.992 289 D CA 1.190 55.188 54.000 -0.004 0.000 0.854 289 D CB 0.220 41.031 40.800 0.018 0.000 0.936 289 D HN 0.274 nan 8.370 nan 0.000 0.462 290 R N -0.901 119.579 120.500 -0.033 0.000 2.468 290 R HA 0.310 4.647 4.340 -0.005 0.000 0.280 290 R C 0.956 177.229 176.300 -0.046 0.000 0.963 290 R CA 0.361 56.436 56.100 -0.042 0.000 1.083 290 R CB 0.893 31.165 30.300 -0.046 0.000 1.200 290 R HN 0.146 nan 8.270 nan 0.000 0.541 291 G N 1.246 110.018 108.800 -0.047 0.000 2.148 291 G HA2 -0.312 3.645 3.960 -0.005 0.000 0.254 291 G HA3 -0.312 3.645 3.960 -0.005 0.000 0.254 291 G C 0.641 175.510 174.900 -0.051 0.000 0.981 291 G CA 0.900 45.969 45.100 -0.051 0.000 0.670 291 G HN 0.427 nan 8.290 nan 0.000 0.528 292 T N -3.545 110.975 114.554 -0.056 0.000 3.296 292 T HA 0.703 5.051 4.350 -0.005 0.000 0.285 292 T C 1.899 176.555 174.700 -0.073 0.000 1.014 292 T CA 1.010 63.075 62.100 -0.058 0.000 0.920 292 T CB 0.848 69.683 68.868 -0.056 0.000 1.143 292 T HN 1.262 nan 8.240 nan 0.000 0.522 293 A N 1.398 124.176 122.820 -0.071 0.000 1.902 293 A HA 0.059 4.376 4.320 -0.005 0.000 0.217 293 A C 2.299 179.850 177.584 -0.055 0.000 1.181 293 A CA 1.616 53.603 52.037 -0.084 0.000 0.623 293 A CB -1.011 17.958 19.000 -0.052 0.000 0.818 293 A HN 0.428 nan 8.150 nan 0.000 0.443 294 V N -0.197 119.703 119.914 -0.024 0.000 2.343 294 V HA -0.249 3.868 4.120 -0.005 0.000 0.247 294 V C 3.044 179.151 176.094 0.021 0.000 1.051 294 V CA 1.971 64.278 62.300 0.012 0.000 1.036 294 V CB -1.198 30.638 31.823 0.022 0.000 0.654 294 V HN 0.626 nan 8.190 nan 0.000 0.451 295 A N -0.064 122.756 122.820 0.000 0.000 1.898 295 A HA -0.080 4.238 4.320 -0.005 0.000 0.216 295 A C 2.437 180.015 177.584 -0.009 0.000 1.181 295 A CA 1.939 53.979 52.037 0.004 0.000 0.620 295 A CB -0.779 18.217 19.000 -0.006 0.000 0.819 295 A HN 0.563 nan 8.150 nan 0.000 0.442 296 A N -0.062 122.735 122.820 -0.039 0.000 1.908 296 A HA 0.111 4.428 4.320 -0.005 0.000 0.218 296 A C 2.489 180.137 177.584 0.107 0.000 1.181 296 A CA 2.207 54.236 52.037 -0.014 0.000 0.627 296 A CB -0.972 17.867 19.000 -0.268 0.000 0.818 296 A HN 1.045 nan 8.150 nan 0.000 0.445 297 A N -0.378 122.477 122.820 0.058 0.000 1.898 297 A HA -0.142 4.175 4.320 -0.005 0.000 0.216 297 A C 1.954 179.619 177.584 0.135 0.000 1.181 297 A CA 1.610 53.710 52.037 0.106 0.000 0.620 297 A CB -0.457 18.585 19.000 0.071 0.000 0.819 297 A HN 0.634 nan 8.150 nan 0.000 0.442 298 E N -0.218 120.052 120.200 0.117 0.000 2.072 298 E HA -0.053 4.295 4.350 -0.005 0.000 0.190 298 E C 1.972 178.644 176.600 0.119 0.000 0.982 298 E CA 0.921 57.415 56.400 0.157 0.000 0.803 298 E CB -0.218 29.563 29.700 0.135 0.000 0.755 298 E HN 0.597 nan 8.360 nan 0.000 0.453 299 L N 0.265 121.497 121.223 0.014 0.000 2.109 299 L HA -0.038 4.299 4.340 -0.005 0.000 0.207 299 L C 2.589 179.342 176.870 -0.196 0.000 1.086 299 L CA 1.048 55.798 54.840 -0.150 0.000 0.760 299 L CB -0.690 41.111 42.059 -0.430 0.000 0.910 299 L HN 0.231 nan 8.230 nan 0.000 0.437 300 G N -0.275 108.479 108.800 -0.078 0.000 2.442 300 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.219 300 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.219 300 G C 1.599 176.547 174.900 0.079 0.000 1.141 300 G CA 0.549 45.621 45.100 -0.046 0.000 0.763 300 G HN 0.344 nan 8.290 nan 0.000 0.554 301 F N 1.857 121.784 119.950 -0.037 0.000 2.146 301 F HA 0.059 4.583 4.527 -0.005 0.000 0.298 301 F C 2.869 178.666 175.800 -0.005 0.000 1.096 301 F CA 1.002 58.982 58.000 -0.033 0.000 1.275 301 F CB 0.143 39.120 39.000 -0.039 0.000 1.008 301 F HN 0.246 nan 8.300 nan 0.000 0.480 302 A N 0.263 123.058 122.820 -0.042 0.000 2.019 302 A HA -0.105 4.212 4.320 -0.005 0.000 0.219 302 A C 2.113 179.723 177.584 0.043 0.000 1.164 302 A CA 1.426 53.425 52.037 -0.062 0.000 0.644 302 A CB -1.192 17.868 19.000 0.099 0.000 0.805 302 A HN 0.470 nan 8.150 nan 0.000 0.449 303 A N -2.127 120.730 122.820 0.061 0.000 2.206 303 A HA 0.409 4.726 4.320 -0.005 0.000 0.211 303 A C 1.682 179.298 177.584 0.054 0.000 1.158 303 A CA 1.369 53.471 52.037 0.109 0.000 0.761 303 A CB -0.549 18.430 19.000 -0.036 0.000 0.801 303 A HN 1.735 nan 8.150 nan 0.000 0.473 304 G N -2.607 106.197 108.800 0.007 0.000 2.227 304 G HA2 0.228 4.185 3.960 -0.005 0.000 0.168 304 G HA3 0.228 4.185 3.960 -0.005 0.000 0.168 304 G C 0.409 175.336 174.900 0.046 0.000 1.006 304 G CA 0.038 45.140 45.100 0.004 0.000 0.684 304 G HN 1.345 nan 8.290 nan 0.000 0.489 305 A N 0.216 123.097 122.820 0.102 0.000 2.448 305 A HA 0.550 4.867 4.320 -0.005 0.000 0.239 305 A C 1.000 178.729 177.584 0.242 0.000 1.080 305 A CA 0.976 53.093 52.037 0.134 0.000 0.779 305 A CB 0.322 19.393 19.000 0.119 0.000 1.026 305 A HN 0.181 nan 8.150 nan 0.000 0.499 306 D N -0.706 119.763 120.400 0.115 0.000 2.454 306 D HA 0.137 4.774 4.640 -0.005 0.000 0.214 306 D C 0.575 176.816 176.300 -0.098 0.000 1.088 306 D CA 0.521 54.571 54.000 0.084 0.000 0.855 306 D CB 0.510 41.323 40.800 0.022 0.000 1.025 306 D HN 0.559 nan 8.370 nan 0.000 0.502 307 R N 0.511 120.919 120.500 -0.153 0.000 2.643 307 R HA 0.538 4.875 4.340 -0.005 0.000 0.269 307 R C -1.942 174.238 176.300 -0.199 0.000 1.037 307 R CA -0.471 55.495 56.100 -0.224 0.000 0.894 307 R CB 1.705 31.929 30.300 -0.127 0.000 1.238 307 R HN -0.186 nan 8.270 nan 0.000 0.459 308 I N 2.635 123.086 120.570 -0.199 0.000 2.499 308 I HA 0.292 4.459 4.170 -0.005 0.000 0.288 308 I C -0.536 175.604 176.117 0.038 0.000 1.048 308 I CA -0.711 60.547 61.300 -0.070 0.000 1.062 308 I CB 2.292 40.255 38.000 -0.061 0.000 1.238 308 I HN 0.504 nan 8.210 nan 0.000 0.426 309 E N 4.404 124.606 120.200 0.003 0.000 2.197 309 E HA 0.682 5.029 4.350 -0.005 0.000 0.281 309 E C -0.012 176.507 176.600 -0.135 0.000 0.995 309 E CA -0.446 55.941 56.400 -0.022 0.000 0.808 309 E CB 2.243 31.974 29.700 0.050 0.000 1.093 309 E HN 0.825 nan 8.360 nan 0.000 0.394 310 G N 1.036 109.768 108.800 -0.113 0.000 2.634 310 G HA2 0.452 4.409 3.960 -0.005 0.000 0.309 310 G HA3 0.452 4.409 3.960 -0.005 0.000 0.309 310 G C -1.337 173.478 174.900 -0.142 0.000 1.299 310 G CA -0.410 44.605 45.100 -0.143 0.000 0.798 310 G HN 0.596 nan 8.290 nan 0.000 0.490 311 C N -0.524 118.703 119.300 -0.123 0.000 2.779 311 C HA 0.673 5.131 4.460 -0.005 0.000 0.314 311 C C 0.299 175.207 174.990 -0.136 0.000 1.231 311 C CA -0.633 58.311 59.018 -0.123 0.000 1.652 311 C CB 1.060 28.764 27.740 -0.059 0.000 2.198 311 C HN 0.691 nan 8.230 nan 0.000 0.483 312 L N 2.331 123.464 121.223 -0.150 0.000 2.513 312 L HA 0.170 4.507 4.340 -0.005 0.000 0.272 312 L C 0.209 177.044 176.870 -0.058 0.000 1.187 312 L CA 0.535 55.263 54.840 -0.185 0.000 0.895 312 L CB -0.288 41.713 42.059 -0.098 0.000 1.147 312 L HN 0.847 nan 8.230 nan 0.000 0.483 313 F N 1.812 121.722 119.950 -0.067 0.000 3.034 313 F HA -0.266 4.258 4.527 -0.005 0.000 0.286 313 F C 1.507 177.335 175.800 0.047 0.000 0.804 313 F CA 0.726 58.636 58.000 -0.149 0.000 1.161 313 F CB -1.875 36.933 39.000 -0.321 0.000 1.317 313 F HN 0.858 nan 8.300 nan 0.000 0.453 314 G N -0.030 108.859 108.800 0.148 0.000 2.160 314 G HA2 -0.386 3.572 3.960 -0.005 0.000 0.251 314 G HA3 -0.386 3.572 3.960 -0.005 0.000 0.251 314 G C 0.061 175.006 174.900 0.075 0.000 1.008 314 G CA 0.212 45.385 45.100 0.121 0.000 0.724 314 G HN 0.679 nan 8.290 nan 0.000 0.514 315 N N 0.732 119.468 118.700 0.059 0.000 2.453 315 N HA 0.555 5.292 4.740 -0.005 0.000 0.253 315 N C 0.679 176.186 175.510 -0.006 0.000 1.252 315 N CA 1.880 54.947 53.050 0.027 0.000 0.917 315 N CB 0.718 39.219 38.487 0.023 0.000 1.117 315 N HN 1.506 nan 8.380 nan 0.000 0.442 316 G N 0.832 109.618 108.800 -0.024 0.000 2.353 316 G HA2 0.023 3.980 3.960 -0.005 0.000 0.308 316 G HA3 0.023 3.980 3.960 -0.005 0.000 0.308 316 G C -1.505 173.340 174.900 -0.091 0.000 1.418 316 G CA -0.883 44.184 45.100 -0.054 0.000 0.966 316 G HN 0.559 nan 8.290 nan 0.000 0.638 317 E N 0.550 120.674 120.200 -0.127 0.000 2.415 317 E HA 0.334 4.681 4.350 -0.005 0.000 0.262 317 E C 1.038 177.560 176.600 -0.130 0.000 1.038 317 E CA 0.475 56.811 56.400 -0.107 0.000 0.921 317 E CB 0.693 30.344 29.700 -0.083 0.000 0.950 317 E HN 0.661 nan 8.360 nan 0.000 0.438 318 R N -0.637 119.818 120.500 -0.075 0.000 3.950 318 R HA -0.307 4.030 4.340 -0.005 0.000 0.351 318 R C 1.781 178.045 176.300 -0.060 0.000 0.245 318 R CA 2.235 58.299 56.100 -0.059 0.000 1.155 318 R CB -1.880 28.387 30.300 -0.055 0.000 0.980 318 R HN 0.771 nan 8.270 nan 0.000 0.569 319 T N -0.129 114.387 114.554 -0.065 0.000 3.113 319 T HA 0.345 4.692 4.350 -0.005 0.000 0.256 319 T C 0.976 175.646 174.700 -0.049 0.000 1.131 319 T CA 0.989 63.059 62.100 -0.049 0.000 1.074 319 T CB 0.320 69.166 68.868 -0.038 0.000 0.944 319 T HN 1.242 nan 8.240 nan 0.000 0.516 320 G N 1.091 109.837 108.800 -0.091 0.000 2.655 320 G HA2 -0.118 3.839 3.960 -0.005 0.000 0.680 320 G HA3 -0.118 3.839 3.960 -0.005 0.000 0.680 320 G C -1.021 173.840 174.900 -0.065 0.000 1.302 320 G CA -0.746 44.308 45.100 -0.076 0.000 0.872 320 G HN 0.457 nan 8.290 nan 0.000 0.540 321 N N -1.274 117.413 118.700 -0.022 0.000 2.434 321 N HA 0.419 5.156 4.740 -0.005 0.000 0.266 321 N C 0.547 176.053 175.510 -0.007 0.000 1.223 321 N CA -0.079 52.984 53.050 0.021 0.000 0.972 321 N CB 1.808 40.261 38.487 -0.055 0.000 1.207 321 N HN 0.773 nan 8.380 nan 0.000 0.525 322 V N 0.907 120.798 119.914 -0.038 0.000 2.673 322 V HA -0.085 4.032 4.120 -0.005 0.000 0.303 322 V C 0.386 176.468 176.094 -0.020 0.000 1.046 322 V CA -0.350 61.934 62.300 -0.027 0.000 1.126 322 V CB 0.361 32.164 31.823 -0.032 0.000 0.934 322 V HN 0.756 nan 8.190 nan 0.000 0.487 323 C N 7.586 126.891 119.300 0.008 0.000 2.540 323 C HA 0.261 4.718 4.460 -0.005 0.000 0.377 323 C C 1.617 176.565 174.990 -0.070 0.000 1.274 323 C CA -0.472 58.548 59.018 0.003 0.000 1.718 323 C CB -1.652 26.159 27.740 0.118 0.000 2.391 323 C HN 0.991 nan 8.230 nan 0.000 0.565 324 L N 5.251 126.386 121.223 -0.146 0.000 2.191 324 L HA -0.086 4.251 4.340 -0.005 0.000 0.212 324 L C 2.306 178.985 176.870 -0.318 0.000 1.103 324 L CA 0.974 55.671 54.840 -0.239 0.000 0.769 324 L CB -0.405 41.488 42.059 -0.277 0.000 0.908 324 L HN 0.704 nan 8.230 nan 0.000 0.438 325 V N -0.661 119.035 119.914 -0.364 0.000 2.283 325 V HA -0.245 3.872 4.120 -0.005 0.000 0.243 325 V C 2.539 178.303 176.094 -0.551 0.000 1.039 325 V CA 2.300 64.245 62.300 -0.591 0.000 1.016 325 V CB -0.685 30.645 31.823 -0.822 0.000 0.650 325 V HN 0.446 nan 8.190 nan 0.000 0.449 326 T N 0.670 115.111 114.554 -0.188 0.000 2.684 326 T HA -0.181 4.166 4.350 -0.005 0.000 0.267 326 T C 1.920 176.590 174.700 -0.050 0.000 1.036 326 T CA 1.697 63.816 62.100 0.033 0.000 1.148 326 T CB -0.360 68.588 68.868 0.134 0.000 0.863 326 T HN 0.259 nan 8.240 nan 0.000 0.436 327 L N 0.582 121.774 121.223 -0.052 0.000 2.017 327 L HA -0.038 4.299 4.340 -0.005 0.000 0.208 327 L C 3.037 179.940 176.870 0.055 0.000 1.073 327 L CA 1.489 56.375 54.840 0.078 0.000 0.745 327 L CB -0.995 41.197 42.059 0.222 0.000 0.894 327 L HN 0.381 nan 8.230 nan 0.000 0.432 328 G N -0.166 108.502 108.800 -0.220 0.000 2.421 328 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.216 328 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.216 328 G C 1.594 176.327 174.900 -0.278 0.000 1.171 328 G CA 0.494 45.491 45.100 -0.172 0.000 0.775 328 G HN 0.237 nan 8.290 nan 0.000 0.543 329 L N 0.411 121.180 121.223 -0.758 0.000 2.291 329 L HA 0.032 4.369 4.340 -0.005 0.000 0.214 329 L C 2.443 179.123 176.870 -0.317 0.000 1.120 329 L CA 0.253 54.625 54.840 -0.779 0.000 0.799 329 L CB -0.263 40.743 42.059 -1.756 0.000 0.925 329 L HN 0.091 nan 8.230 nan 0.000 0.446 330 N N 0.072 118.705 118.700 -0.111 0.000 2.289 330 N HA -0.113 4.624 4.740 -0.005 0.000 0.184 330 N C 1.840 177.428 175.510 0.129 0.000 1.016 330 N CA 1.072 54.206 53.050 0.140 0.000 0.872 330 N CB -0.118 38.471 38.487 0.169 0.000 0.973 330 N HN 0.299 nan 8.380 nan 0.000 0.433 331 L N -0.865 120.441 121.223 0.137 0.000 2.023 331 L HA -0.071 4.266 4.340 -0.005 0.000 0.205 331 L C 2.100 179.063 176.870 0.154 0.000 1.073 331 L CA 0.800 55.743 54.840 0.173 0.000 0.745 331 L CB -0.599 41.607 42.059 0.245 0.000 0.900 331 L HN 0.038 nan 8.230 nan 0.000 0.435 332 F N 1.746 121.706 119.950 0.016 0.000 2.087 332 F HA -0.321 4.203 4.527 -0.005 0.000 0.299 332 F C 2.729 178.539 175.800 0.017 0.000 1.100 332 F CA 1.842 59.845 58.000 0.006 0.000 1.226 332 F CB -0.545 38.425 39.000 -0.050 0.000 0.983 332 F HN 0.143 nan 8.300 nan 0.000 0.479 333 S N -0.518 115.081 115.700 -0.168 0.000 2.555 333 S HA 0.003 4.470 4.470 -0.005 0.000 0.230 333 S C 1.548 176.075 174.600 -0.121 0.000 0.978 333 S CA 0.299 58.367 58.200 -0.221 0.000 0.934 333 S CB -0.381 62.876 63.200 0.096 0.000 0.766 333 S HN 0.437 nan 8.310 nan 0.000 0.533 334 R N 0.332 120.791 120.500 -0.067 0.000 2.596 334 R HA 0.310 4.647 4.340 -0.005 0.000 0.369 334 R C 1.090 177.372 176.300 -0.030 0.000 1.042 334 R CA 0.453 56.540 56.100 -0.023 0.000 1.120 334 R CB 0.292 30.612 30.300 0.032 0.000 1.353 334 R HN 0.555 nan 8.270 nan 0.000 0.564 335 G N 0.866 109.615 108.800 -0.085 0.000 2.132 335 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.234 335 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.234 335 G C -0.074 174.832 174.900 0.010 0.000 0.989 335 G CA 0.096 45.160 45.100 -0.059 0.000 0.676 335 G HN 0.118 nan 8.290 nan 0.000 0.522 336 V N 0.851 120.796 119.914 0.051 0.000 2.417 336 V HA 0.482 4.599 4.120 -0.005 0.000 0.291 336 V C 0.120 176.309 176.094 0.159 0.000 1.024 336 V CA -0.893 61.467 62.300 0.100 0.000 0.861 336 V CB 1.829 33.722 31.823 0.117 0.000 0.985 336 V HN 0.330 nan 8.190 nan 0.000 0.436 337 D N 7.582 128.072 120.400 0.149 0.000 2.382 337 D HA 0.139 4.776 4.640 -0.005 0.000 0.259 337 D C -1.143 175.277 176.300 0.200 0.000 1.224 337 D CA -1.639 52.465 54.000 0.173 0.000 0.894 337 D CB 1.619 42.488 40.800 0.115 0.000 1.127 337 D HN 0.292 nan 8.370 nan 0.000 0.487 338 P HA -0.092 nan 4.420 nan 0.000 0.237 338 P C -0.227 177.264 177.300 0.318 0.000 1.178 338 P CA 0.482 63.798 63.100 0.360 0.000 0.766 338 P CB 0.163 32.102 31.700 0.399 0.000 0.876 339 Q N -1.393 118.487 119.800 0.133 0.000 2.494 339 Q HA -0.136 4.201 4.340 -0.005 0.000 0.266 339 Q C -0.239 175.685 176.000 -0.126 0.000 1.053 339 Q CA 0.491 56.312 55.803 0.031 0.000 1.029 339 Q CB -1.309 27.473 28.738 0.073 0.000 1.423 339 Q HN 0.360 nan 8.270 nan 0.000 0.516 340 I N 0.140 120.550 120.570 -0.267 0.000 2.722 340 I HA 0.240 4.407 4.170 -0.005 0.000 0.295 340 I C -0.294 175.370 176.117 -0.755 0.000 1.161 340 I CA -0.796 60.101 61.300 -0.671 0.000 1.032 340 I CB 2.013 39.382 38.000 -1.051 0.000 1.244 340 I HN -0.085 nan 8.210 nan 0.000 0.421 341 D N 4.669 124.619 120.400 -0.750 0.000 2.347 341 D HA 0.338 4.975 4.640 -0.005 0.000 0.235 341 D C -0.355 175.516 176.300 -0.715 0.000 1.149 341 D CA 0.128 53.788 54.000 -0.568 0.000 0.850 341 D CB 0.286 40.874 40.800 -0.354 0.000 1.061 341 D HN 0.267 nan 8.370 nan 0.000 0.487 342 F N 1.592 121.364 119.950 -0.296 0.000 2.772 342 F HA 0.100 4.625 4.527 -0.005 0.000 0.302 342 F C 2.157 177.801 175.800 -0.259 0.000 1.136 342 F CA -0.398 57.435 58.000 -0.277 0.000 1.322 342 F CB 0.210 39.003 39.000 -0.345 0.000 0.967 342 F HN 0.340 nan 8.300 nan 0.000 0.513 343 S N -0.765 114.857 115.700 -0.129 0.000 2.474 343 S HA -0.110 4.357 4.470 -0.005 0.000 0.235 343 S C 0.908 175.464 174.600 -0.074 0.000 0.997 343 S CA 0.791 58.913 58.200 -0.129 0.000 0.949 343 S CB -0.197 62.925 63.200 -0.131 0.000 0.766 343 S HN 0.326 nan 8.310 nan 0.000 0.517 344 N N 0.437 119.111 118.700 -0.044 0.000 2.790 344 N HA 0.334 5.071 4.740 -0.005 0.000 0.256 344 N C 0.092 175.625 175.510 0.038 0.000 1.409 344 N CA -0.345 52.697 53.050 -0.012 0.000 0.799 344 N CB 0.454 38.927 38.487 -0.023 0.000 1.170 344 N HN 0.359 nan 8.380 nan 0.000 0.507 345 I N 0.495 121.112 120.570 0.077 0.000 2.493 345 I HA -0.179 3.988 4.170 -0.005 0.000 0.254 345 I C 0.885 177.099 176.117 0.162 0.000 1.160 345 I CA 1.084 62.482 61.300 0.163 0.000 1.445 345 I CB 0.399 38.523 38.000 0.206 0.000 1.086 345 I HN 0.246 nan 8.210 nan 0.000 0.433 346 D N 0.591 121.049 120.400 0.096 0.000 2.144 346 D HA -0.256 4.381 4.640 -0.005 0.000 0.199 346 D C 1.947 178.275 176.300 0.047 0.000 0.984 346 D CA 1.264 55.301 54.000 0.061 0.000 0.834 346 D CB -0.107 40.714 40.800 0.034 0.000 0.955 346 D HN 0.507 nan 8.370 nan 0.000 0.465 347 E N 0.323 120.547 120.200 0.041 0.000 2.077 347 E HA -0.142 4.205 4.350 -0.005 0.000 0.193 347 E C 2.259 178.895 176.600 0.059 0.000 0.989 347 E CA 0.638 57.056 56.400 0.029 0.000 0.800 347 E CB -0.068 29.637 29.700 0.008 0.000 0.746 347 E HN 0.229 nan 8.360 nan 0.000 0.452 348 I N 0.699 121.329 120.570 0.101 0.000 2.163 348 I HA -0.295 3.873 4.170 -0.005 0.000 0.243 348 I C 2.921 179.173 176.117 0.224 0.000 1.085 348 I CA 1.427 62.825 61.300 0.163 0.000 1.347 348 I CB -0.399 37.726 38.000 0.208 0.000 1.044 348 I HN 0.133 nan 8.210 nan 0.000 0.408 349 R N 1.209 121.834 120.500 0.208 0.000 2.073 349 R HA -0.221 4.116 4.340 -0.005 0.000 0.234 349 R C 2.765 179.046 176.300 -0.033 0.000 1.134 349 R CA 2.078 58.172 56.100 -0.012 0.000 0.952 349 R CB -0.315 29.875 30.300 -0.184 0.000 0.850 349 R HN 0.264 nan 8.270 nan 0.000 0.433 350 R N 0.165 120.667 120.500 0.003 0.000 2.091 350 R HA -0.116 4.221 4.340 -0.005 0.000 0.238 350 R C 2.296 178.632 176.300 0.060 0.000 1.136 350 R CA 2.279 58.386 56.100 0.011 0.000 0.959 350 R CB -1.958 28.342 30.300 -0.001 0.000 0.856 350 R HN 0.481 nan 8.270 nan 0.000 0.437 351 T N 0.156 114.756 114.554 0.076 0.000 2.777 351 T HA -0.071 4.276 4.350 -0.005 0.000 0.266 351 T C 2.176 176.965 174.700 0.148 0.000 1.040 351 T CA 1.435 63.609 62.100 0.124 0.000 1.141 351 T CB -0.217 68.708 68.868 0.094 0.000 0.868 351 T HN 0.218 nan 8.240 nan 0.000 0.444 352 V N 1.675 121.659 119.914 0.118 0.000 2.343 352 V HA -0.180 3.937 4.120 -0.005 0.000 0.247 352 V C 2.483 178.607 176.094 0.050 0.000 1.051 352 V CA 1.690 64.052 62.300 0.103 0.000 1.036 352 V CB -0.599 31.337 31.823 0.189 0.000 0.654 352 V HN 0.552 nan 8.190 nan 0.000 0.451 353 E N -0.932 119.281 120.200 0.021 0.000 2.110 353 E HA -0.262 4.085 4.350 -0.005 0.000 0.193 353 E C 2.113 178.743 176.600 0.051 0.000 0.988 353 E CA 1.713 58.114 56.400 0.002 0.000 0.804 353 E CB -0.264 29.419 29.700 -0.029 0.000 0.745 353 E HN 0.762 nan 8.360 nan 0.000 0.458 354 Y N 0.887 121.174 120.300 -0.022 0.000 2.163 354 Y HA -0.261 4.286 4.550 -0.005 0.000 0.288 354 Y C 2.225 178.118 175.900 -0.011 0.000 1.136 354 Y CA 1.199 59.291 58.100 -0.014 0.000 1.147 354 Y CB -0.529 37.926 38.460 -0.008 0.000 0.987 354 Y HN 0.038 nan 8.280 nan 0.000 0.509 355 C N 0.828 120.073 119.300 -0.092 0.000 2.453 355 C HA -0.142 4.315 4.460 -0.005 0.000 0.277 355 C C 2.364 177.254 174.990 -0.165 0.000 1.262 355 C CA 1.483 60.393 59.018 -0.179 0.000 1.718 355 C CB -1.181 26.546 27.740 -0.023 0.000 2.031 355 C HN 0.618 nan 8.230 nan 0.000 0.480 356 N N 0.017 118.664 118.700 -0.088 0.000 2.415 356 N HA -0.022 4.715 4.740 -0.005 0.000 0.176 356 N C 0.590 176.055 175.510 -0.075 0.000 1.042 356 N CA 0.355 53.364 53.050 -0.068 0.000 0.902 356 N CB -0.402 38.068 38.487 -0.029 0.000 0.986 356 N HN 0.573 nan 8.380 nan 0.000 0.447 357 Q N -0.335 119.414 119.800 -0.084 0.000 2.481 357 Q HA -0.179 4.158 4.340 -0.005 0.000 0.272 357 Q C -1.015 174.962 176.000 -0.038 0.000 1.157 357 Q CA 0.567 56.332 55.803 -0.063 0.000 0.935 357 Q CB -1.715 26.977 28.738 -0.077 0.000 1.338 357 Q HN 0.375 nan 8.270 nan 0.000 0.494 358 L N 0.311 121.514 121.223 -0.034 0.000 2.431 358 L HA 0.609 4.946 4.340 -0.005 0.000 0.266 358 L C -2.139 174.709 176.870 -0.037 0.000 0.978 358 L CA -2.087 52.738 54.840 -0.025 0.000 0.822 358 L CB 1.945 43.995 42.059 -0.016 0.000 1.310 358 L HN -0.135 nan 8.230 nan 0.000 0.409 359 P HA 0.182 nan 4.420 nan 0.000 0.281 359 P C -0.679 176.566 177.300 -0.091 0.000 1.249 359 P CA -0.400 62.660 63.100 -0.066 0.000 0.810 359 P CB 1.510 33.186 31.700 -0.041 0.000 1.008 360 V N 3.565 123.355 119.914 -0.206 0.000 2.470 360 V HA 0.016 4.133 4.120 -0.005 0.000 0.276 360 V C 1.260 177.304 176.094 -0.084 0.000 1.040 360 V CA -0.228 61.905 62.300 -0.279 0.000 1.008 360 V CB -0.618 30.777 31.823 -0.714 0.000 0.990 360 V HN 0.636 nan 8.190 nan 0.000 0.477 361 H N 3.545 122.607 119.070 -0.014 0.000 2.852 361 H HA 0.008 4.561 4.556 -0.004 0.000 0.362 361 H C 0.999 176.335 175.328 0.014 0.000 1.122 361 H CA 0.072 56.132 56.048 0.019 0.000 1.419 361 H CB 1.019 30.817 29.762 0.060 0.000 1.401 361 H HN 0.756 nan 8.280 nan 0.000 0.609 362 E N 2.612 122.401 120.200 -0.685 0.000 2.209 362 E HA -0.155 4.192 4.350 -0.005 0.000 0.196 362 E C 1.445 177.949 176.600 -0.160 0.000 0.993 362 E CA 1.278 57.449 56.400 -0.381 0.000 0.819 362 E CB 0.130 29.581 29.700 -0.415 0.000 0.745 362 E HN 0.530 nan 8.360 nan 0.000 0.477 363 R N -0.513 119.991 120.500 0.007 0.000 2.432 363 R HA 0.137 4.474 4.340 -0.005 0.000 0.260 363 R C -0.148 176.226 176.300 0.124 0.000 0.935 363 R CA -0.209 55.956 56.100 0.108 0.000 1.080 363 R CB 0.046 30.447 30.300 0.168 0.000 1.155 363 R HN 0.245 nan 8.270 nan 0.000 0.531 364 H N 2.554 121.684 119.070 0.101 0.000 3.004 364 H HA 0.053 4.606 4.556 -0.004 0.000 0.316 364 H C -2.173 173.182 175.328 0.046 0.000 1.014 364 H CA -1.137 54.975 56.048 0.106 0.000 1.454 364 H CB 0.670 30.527 29.762 0.160 0.000 1.472 364 H HN -0.159 nan 8.280 nan 0.000 0.571 365 P HA -0.171 nan 4.420 nan 0.000 0.261 365 P C -0.444 176.956 177.300 0.166 0.000 1.165 365 P CA 0.928 63.984 63.100 -0.074 0.000 0.759 365 P CB 0.110 31.745 31.700 -0.108 0.000 0.772 366 Y N 0.976 121.305 120.300 0.049 0.000 2.902 366 Y HA -0.331 4.216 4.550 -0.005 0.000 0.486 366 Y C 2.032 178.047 175.900 0.191 0.000 1.163 366 Y CA 2.205 60.374 58.100 0.115 0.000 2.765 366 Y CB -2.386 36.130 38.460 0.093 0.000 0.870 366 Y HN 0.520 nan 8.280 nan 0.000 0.536 367 G N -0.304 108.746 108.800 0.417 0.000 2.719 367 G HA2 0.375 4.332 3.960 -0.005 0.000 0.211 367 G HA3 0.375 4.332 3.960 -0.005 0.000 0.211 367 G C 1.048 176.007 174.900 0.098 0.000 1.140 367 G CA 0.353 45.668 45.100 0.358 0.000 0.790 367 G HN 0.725 nan 8.290 nan 0.000 0.529 368 G N 0.310 109.152 108.800 0.071 0.000 2.544 368 G HA2 0.275 4.232 3.960 -0.005 0.000 0.242 368 G HA3 0.275 4.232 3.960 -0.005 0.000 0.242 368 G C 0.420 175.289 174.900 -0.051 0.000 1.247 368 G CA -0.129 44.964 45.100 -0.012 0.000 0.840 368 G HN -0.004 nan 8.290 nan 0.000 0.578 369 D N 0.522 120.882 120.400 -0.067 0.000 2.172 369 D HA -0.129 4.508 4.640 -0.005 0.000 0.196 369 D C 2.249 178.523 176.300 -0.043 0.000 0.999 369 D CA 1.123 55.096 54.000 -0.045 0.000 0.856 369 D CB 0.121 40.887 40.800 -0.058 0.000 0.934 369 D HN 0.308 nan 8.370 nan 0.000 0.453 370 L N 0.202 121.380 121.223 -0.075 0.000 2.640 370 L HA 0.084 4.421 4.340 -0.005 0.000 0.230 370 L C 1.927 178.718 176.870 -0.133 0.000 1.123 370 L CA -0.050 54.744 54.840 -0.077 0.000 0.900 370 L CB 0.521 42.562 42.059 -0.030 0.000 1.146 370 L HN -0.061 nan 8.230 nan 0.000 0.484 371 V N -3.882 115.891 119.914 -0.236 0.000 3.217 371 V HA -0.145 3.972 4.120 -0.005 0.000 0.264 371 V C 1.077 176.860 176.094 -0.517 0.000 1.135 371 V CA 1.017 63.073 62.300 -0.407 0.000 1.142 371 V CB -1.038 30.469 31.823 -0.527 0.000 0.754 371 V HN 0.388 nan 8.190 nan 0.000 0.484 372 Y N 0.278 120.597 120.300 0.031 0.000 2.751 372 Y HA 0.514 5.062 4.550 -0.004 0.000 0.289 372 Y C 0.803 176.758 175.900 0.092 0.000 1.110 372 Y CA -0.440 57.714 58.100 0.091 0.000 1.251 372 Y CB 0.324 38.852 38.460 0.114 0.000 1.178 372 Y HN 0.071 nan 8.280 nan 0.000 0.540 373 T N 1.561 116.135 114.554 0.033 0.000 2.859 373 T HA 0.749 5.096 4.350 -0.005 0.000 0.281 373 T C -0.342 174.264 174.700 -0.157 0.000 1.005 373 T CA -0.634 61.367 62.100 -0.165 0.000 1.025 373 T CB 1.412 70.017 68.868 -0.439 0.000 0.977 373 T HN 0.265 nan 8.240 nan 0.000 0.458 374 A N 2.294 125.020 122.820 -0.157 0.000 2.332 374 A HA 0.684 5.001 4.320 -0.005 0.000 0.300 374 A C -0.038 177.443 177.584 -0.173 0.000 1.153 374 A CA -0.679 51.319 52.037 -0.065 0.000 0.764 374 A CB 0.366 19.486 19.000 0.200 0.000 1.174 374 A HN 0.915 nan 8.150 nan 0.000 0.467 375 F N 1.570 121.520 119.950 -0.000 0.000 2.754 375 F HA 0.102 4.626 4.527 -0.005 0.000 0.297 375 F C 1.719 177.480 175.800 -0.066 0.000 1.122 375 F CA 0.594 58.574 58.000 -0.034 0.000 1.400 375 F CB 0.648 39.620 39.000 -0.046 0.000 1.117 375 F HN 0.535 nan 8.300 nan 0.000 0.587 376 S N 0.499 116.216 115.700 0.029 0.000 2.499 376 S HA 0.284 4.751 4.470 -0.005 0.000 0.275 376 S C 1.437 176.015 174.600 -0.036 0.000 1.257 376 S CA -0.061 58.074 58.200 -0.108 0.000 1.050 376 S CB 1.250 64.170 63.200 -0.467 0.000 0.937 376 S HN 0.358 nan 8.310 nan 0.000 0.490 377 G N 3.787 112.578 108.800 -0.014 0.000 2.469 377 G HA2 -0.184 3.773 3.960 -0.005 0.000 0.219 377 G HA3 -0.184 3.773 3.960 -0.005 0.000 0.219 377 G C 1.528 176.446 174.900 0.031 0.000 1.150 377 G CA 1.099 46.210 45.100 0.018 0.000 0.763 377 G HN 0.720 nan 8.290 nan 0.000 0.561 378 S N -0.367 115.337 115.700 0.007 0.000 2.368 378 S HA -0.060 4.408 4.470 -0.005 0.000 0.224 378 S C 1.940 176.627 174.600 0.145 0.000 1.029 378 S CA 0.968 59.210 58.200 0.069 0.000 0.988 378 S CB -0.420 62.825 63.200 0.075 0.000 0.838 378 S HN 0.652 nan 8.310 nan 0.000 0.462 379 H N 0.908 119.890 119.070 -0.147 0.000 2.389 379 H HA -0.023 4.530 4.556 -0.005 0.000 0.299 379 H C 2.483 177.776 175.328 -0.059 0.000 1.081 379 H CA 1.063 56.920 56.048 -0.318 0.000 1.345 379 H CB -0.002 29.376 29.762 -0.640 0.000 1.393 379 H HN 0.428 nan 8.280 nan 0.000 0.520 380 Q N 0.484 120.370 119.800 0.143 0.000 2.061 380 Q HA -0.195 4.142 4.340 -0.005 0.000 0.204 380 Q C 1.905 177.986 176.000 0.134 0.000 0.984 380 Q CA 1.848 57.761 55.803 0.184 0.000 0.846 380 Q CB -0.031 28.810 28.738 0.172 0.000 0.902 380 Q HN 0.408 nan 8.270 nan 0.000 0.421 381 D N -0.141 120.322 120.400 0.105 0.000 2.117 381 D HA -0.153 4.484 4.640 -0.005 0.000 0.197 381 D C 1.747 178.088 176.300 0.069 0.000 0.987 381 D CA 1.426 55.474 54.000 0.079 0.000 0.829 381 D CB -0.046 40.795 40.800 0.068 0.000 0.961 381 D HN 0.272 nan 8.370 nan 0.000 0.460 382 A N 0.140 123.024 122.820 0.106 0.000 1.902 382 A HA -0.137 4.180 4.320 -0.005 0.000 0.217 382 A C 2.399 179.999 177.584 0.026 0.000 1.181 382 A CA 1.258 53.354 52.037 0.098 0.000 0.623 382 A CB -0.870 18.278 19.000 0.247 0.000 0.818 382 A HN 0.378 nan 8.150 nan 0.000 0.443 383 I N 0.209 120.798 120.570 0.031 0.000 2.163 383 I HA -0.313 3.854 4.170 -0.005 0.000 0.243 383 I C 2.173 178.213 176.117 -0.129 0.000 1.085 383 I CA 1.424 62.655 61.300 -0.116 0.000 1.347 383 I CB -0.440 37.395 38.000 -0.277 0.000 1.044 383 I HN 0.356 nan 8.210 nan 0.000 0.408 384 N N 0.827 119.502 118.700 -0.042 0.000 2.188 384 N HA -0.146 4.591 4.740 -0.005 0.000 0.184 384 N C 1.767 177.255 175.510 -0.037 0.000 1.018 384 N CA 1.132 54.173 53.050 -0.015 0.000 0.858 384 N CB -0.162 38.351 38.487 0.044 0.000 0.989 384 N HN 0.398 nan 8.380 nan 0.000 0.426 385 K N 0.352 120.731 120.400 -0.035 0.000 2.097 385 K HA -0.056 4.261 4.320 -0.005 0.000 0.206 385 K C 2.095 178.641 176.600 -0.091 0.000 1.049 385 K CA 1.198 57.457 56.287 -0.047 0.000 0.933 385 K CB -0.272 32.209 32.500 -0.032 0.000 0.717 385 K HN 0.173 nan 8.250 nan 0.000 0.442 386 G N 1.370 110.088 108.800 -0.137 0.000 2.433 386 G HA2 -0.229 3.729 3.960 -0.005 0.000 0.216 386 G HA3 -0.229 3.729 3.960 -0.005 0.000 0.216 386 G C 1.480 176.240 174.900 -0.234 0.000 1.186 386 G CA 0.567 45.537 45.100 -0.217 0.000 0.779 386 G HN 0.094 nan 8.290 nan 0.000 0.543 387 L N 0.533 121.628 121.223 -0.214 0.000 2.042 387 L HA -0.081 4.256 4.340 -0.005 0.000 0.210 387 L C 2.562 179.378 176.870 -0.091 0.000 1.076 387 L CA 1.248 55.991 54.840 -0.162 0.000 0.749 387 L CB -0.375 41.631 42.059 -0.088 0.000 0.893 387 L HN 0.103 nan 8.230 nan 0.000 0.432 388 D N 0.175 120.534 120.400 -0.068 0.000 2.117 388 D HA -0.158 4.479 4.640 -0.005 0.000 0.197 388 D C 2.257 178.527 176.300 -0.049 0.000 0.987 388 D CA 1.537 55.512 54.000 -0.042 0.000 0.829 388 D CB -0.127 40.656 40.800 -0.028 0.000 0.961 388 D HN 0.315 nan 8.370 nan 0.000 0.460 389 A N 0.572 123.349 122.820 -0.071 0.000 1.933 389 A HA -0.160 4.157 4.320 -0.005 0.000 0.218 389 A C 2.266 179.809 177.584 -0.069 0.000 1.175 389 A CA 1.265 53.261 52.037 -0.069 0.000 0.628 389 A CB -0.525 18.425 19.000 -0.083 0.000 0.814 389 A HN 0.151 nan 8.150 nan 0.000 0.444 390 M N -0.354 119.191 119.600 -0.091 0.000 2.086 390 M HA -0.175 4.302 4.480 -0.005 0.000 0.261 390 M C 2.712 178.993 176.300 -0.032 0.000 1.067 390 M CA 2.192 57.449 55.300 -0.073 0.000 1.116 390 M CB -0.424 32.115 32.600 -0.102 0.000 1.348 390 M HN 0.504 nan 8.290 nan 0.000 0.407 391 K N 0.671 121.056 120.400 -0.025 0.000 2.097 391 K HA -0.077 4.240 4.320 -0.005 0.000 0.206 391 K C 1.621 178.217 176.600 -0.007 0.000 1.049 391 K CA 1.388 57.672 56.287 -0.005 0.000 0.933 391 K CB -1.426 31.074 32.500 0.001 0.000 0.717 391 K HN 0.386 nan 8.250 nan 0.000 0.442 392 L N 0.636 121.849 121.223 -0.016 0.000 2.017 392 L HA -0.179 4.158 4.340 -0.005 0.000 0.208 392 L C 2.202 179.065 176.870 -0.013 0.000 1.073 392 L CA 1.395 56.227 54.840 -0.014 0.000 0.745 392 L CB -0.355 41.694 42.059 -0.018 0.000 0.894 392 L HN 0.392 nan 8.230 nan 0.000 0.432 393 D N -0.039 120.350 120.400 -0.018 0.000 2.144 393 D HA -0.143 4.495 4.640 -0.005 0.000 0.199 393 D C 2.158 178.455 176.300 -0.006 0.000 0.984 393 D CA 1.386 55.377 54.000 -0.015 0.000 0.834 393 D CB 0.013 40.800 40.800 -0.022 0.000 0.955 393 D HN 0.328 nan 8.370 nan 0.000 0.465 394 A N 1.149 123.968 122.820 -0.002 0.000 1.855 394 A HA -0.174 4.143 4.320 -0.005 0.000 0.215 394 A C 1.873 179.461 177.584 0.007 0.000 1.191 394 A CA 1.580 53.621 52.037 0.007 0.000 0.613 394 A CB -0.465 18.544 19.000 0.015 0.000 0.829 394 A HN -0.002 nan 8.150 nan 0.000 0.442 395 D N 0.203 120.606 120.400 0.005 0.000 2.133 395 D HA -0.125 4.512 4.640 -0.005 0.000 0.195 395 D C 2.204 178.505 176.300 0.002 0.000 0.997 395 D CA 1.662 55.664 54.000 0.004 0.000 0.840 395 D CB -0.431 40.370 40.800 0.003 0.000 0.947 395 D HN 0.423 nan 8.370 nan 0.000 0.452 396 A N 0.761 123.581 122.820 -0.000 0.000 1.877 396 A HA -0.004 4.313 4.320 -0.005 0.000 0.216 396 A C 2.143 179.727 177.584 -0.000 0.000 1.186 396 A CA 2.030 54.066 52.037 -0.002 0.000 0.620 396 A CB -0.545 18.452 19.000 -0.005 0.000 0.822 396 A HN 0.233 nan 8.150 nan 0.000 0.443 397 A N -1.473 121.347 122.820 0.001 0.000 2.278 397 A HA 0.318 4.635 4.320 -0.005 0.000 0.212 397 A C 0.742 178.329 177.584 0.005 0.000 1.213 397 A CA 1.029 53.067 52.037 0.002 0.000 0.840 397 A CB -0.458 18.543 19.000 0.003 0.000 0.866 397 A HN 0.549 nan 8.150 nan 0.000 0.489 398 D N -1.963 118.441 120.400 0.005 0.000 2.811 398 D HA -0.163 4.475 4.640 -0.005 0.000 0.231 398 D C -0.363 175.943 176.300 0.009 0.000 1.157 398 D CA 0.758 54.762 54.000 0.007 0.000 0.716 398 D CB -2.026 38.777 40.800 0.005 0.000 1.077 398 D HN 0.423 nan 8.370 nan 0.000 0.428 399 C N 0.136 119.443 119.300 0.011 0.000 2.399 399 C HA 0.493 4.950 4.460 -0.005 0.000 0.348 399 C C 0.392 175.394 174.990 0.020 0.000 1.183 399 C CA -1.095 57.933 59.018 0.016 0.000 2.023 399 C CB 1.540 29.291 27.740 0.017 0.000 2.361 399 C HN 0.369 nan 8.230 nan 0.000 0.521 400 D N 0.963 121.377 120.400 0.024 0.000 2.383 400 D HA 0.037 4.674 4.640 -0.005 0.000 0.252 400 D C 0.857 177.181 176.300 0.040 0.000 1.166 400 D CA 0.199 54.217 54.000 0.030 0.000 0.879 400 D CB 1.328 42.145 40.800 0.029 0.000 1.164 400 D HN 0.347 nan 8.370 nan 0.000 0.462 401 V N 4.101 124.043 119.914 0.045 0.000 2.594 401 V HA -0.206 3.911 4.120 -0.005 0.000 0.253 401 V C 1.140 177.290 176.094 0.092 0.000 1.069 401 V CA 1.736 64.073 62.300 0.061 0.000 1.082 401 V CB -0.203 31.654 31.823 0.058 0.000 0.680 401 V HN 0.524 nan 8.190 nan 0.000 0.469 402 D N 0.158 120.608 120.400 0.083 0.000 2.351 402 D HA -0.093 4.544 4.640 -0.005 0.000 0.216 402 D C 1.377 177.726 176.300 0.080 0.000 0.968 402 D CA 1.105 55.158 54.000 0.088 0.000 0.899 402 D CB -0.115 40.721 40.800 0.059 0.000 0.907 402 D HN 0.565 nan 8.370 nan 0.000 0.514 403 D N -0.758 119.683 120.400 0.068 0.000 2.369 403 D HA 0.040 4.677 4.640 -0.005 0.000 0.211 403 D C 0.826 177.164 176.300 0.063 0.000 1.077 403 D CA 0.012 54.048 54.000 0.060 0.000 0.842 403 D CB 0.523 41.348 40.800 0.042 0.000 0.947 403 D HN 0.143 nan 8.370 nan 0.000 0.509 404 M N 0.671 120.316 119.600 0.075 0.000 2.291 404 M HA 0.175 4.652 4.480 -0.005 0.000 0.324 404 M C 0.350 176.706 176.300 0.093 0.000 1.148 404 M CA -1.096 54.243 55.300 0.066 0.000 1.104 404 M CB 0.996 33.627 32.600 0.052 0.000 1.483 404 M HN -0.143 nan 8.290 nan 0.000 0.467 405 L N 2.897 124.159 121.223 0.065 0.000 2.706 405 L HA -0.103 4.234 4.340 -0.005 0.000 0.282 405 L C -0.436 176.508 176.870 0.122 0.000 1.219 405 L CA 0.912 55.797 54.840 0.075 0.000 0.935 405 L CB -0.107 41.968 42.059 0.027 0.000 1.204 405 L HN 0.614 nan 8.230 nan 0.000 0.491 406 W N 7.218 128.493 121.300 -0.041 0.000 2.368 406 W HA 0.132 4.789 4.660 -0.005 0.000 0.316 406 W C -0.765 175.726 176.519 -0.047 0.000 1.375 406 W CA -0.553 56.769 57.345 -0.039 0.000 1.261 406 W CB 0.650 30.087 29.460 -0.038 0.000 1.298 406 W HN 0.533 nan 8.180 nan 0.000 0.539 407 Q N 6.015 125.491 119.800 -0.540 0.000 3.244 407 Q HA 0.233 4.571 4.340 -0.005 0.000 0.249 407 Q C -1.303 174.307 176.000 -0.650 0.000 0.951 407 Q CA -0.299 55.231 55.803 -0.456 0.000 0.740 407 Q CB 1.455 30.041 28.738 -0.253 0.000 1.334 407 Q HN 0.282 nan 8.270 nan 0.000 0.448 408 V N 2.320 121.736 119.914 -0.830 0.000 2.524 408 V HA 0.354 4.471 4.120 -0.005 0.000 0.297 408 V C -2.325 173.546 176.094 -0.372 0.000 1.035 408 V CA -1.916 59.969 62.300 -0.691 0.000 0.867 408 V CB 2.185 33.365 31.823 -1.071 0.000 1.004 408 V HN 0.356 nan 8.190 nan 0.000 0.426 409 P HA 0.116 nan 4.420 nan 0.000 0.264 409 P C -0.207 176.936 177.300 -0.262 0.000 1.183 409 P CA 0.792 63.640 63.100 -0.420 0.000 0.763 409 P CB -0.035 31.409 31.700 -0.427 0.000 0.807 410 Y N -0.803 119.435 120.300 -0.103 0.000 4.779 410 Y HA -0.241 4.306 4.550 -0.005 0.000 0.284 410 Y C 0.307 176.229 175.900 0.037 0.000 0.973 410 Y CA 0.050 58.106 58.100 -0.073 0.000 1.792 410 Y CB -1.794 36.584 38.460 -0.137 0.000 1.120 410 Y HN 0.248 nan 8.280 nan 0.000 0.450 411 L N 2.631 123.978 121.223 0.207 0.000 2.318 411 L HA 0.319 4.656 4.340 -0.005 0.000 0.277 411 L C -1.566 175.565 176.870 0.434 0.000 1.008 411 L CA -1.858 53.193 54.840 0.352 0.000 0.846 411 L CB 1.421 43.764 42.059 0.474 0.000 1.220 411 L HN -0.295 nan 8.230 nan 0.000 0.423 412 P HA -0.078 nan 4.420 nan 0.000 0.218 412 P C 0.183 177.644 177.300 0.268 0.000 1.149 412 P CA 1.236 64.487 63.100 0.251 0.000 0.817 412 P CB 0.224 32.015 31.700 0.152 0.000 0.785 413 I N -4.906 115.756 120.570 0.153 0.000 3.042 413 I HA 0.549 4.716 4.170 -0.005 0.000 0.310 413 I C -0.712 174.859 176.117 -0.910 0.000 1.117 413 I CA -1.600 59.531 61.300 -0.282 0.000 1.003 413 I CB 1.880 39.904 38.000 0.040 0.000 1.228 413 I HN -0.418 nan 8.210 nan 0.000 0.443 414 D N 4.299 123.671 120.400 -1.714 0.000 2.382 414 D HA 0.210 4.847 4.640 -0.005 0.000 0.259 414 D C -1.775 174.087 176.300 -0.729 0.000 1.224 414 D CA -1.958 50.997 54.000 -1.741 0.000 0.894 414 D CB 1.454 41.383 40.800 -1.450 0.000 1.127 414 D HN 0.311 nan 8.370 nan 0.000 0.487 415 P HA -0.122 nan 4.420 nan 0.000 0.217 415 P C 1.088 178.152 177.300 -0.393 0.000 1.148 415 P CA 1.120 63.810 63.100 -0.684 0.000 0.828 415 P CB 0.207 31.546 31.700 -0.602 0.000 0.783 416 R N -0.575 119.759 120.500 -0.276 0.000 2.152 416 R HA -0.121 4.216 4.340 -0.005 0.000 0.232 416 R C 1.510 177.723 176.300 -0.146 0.000 1.117 416 R CA 1.252 57.255 56.100 -0.162 0.000 0.981 416 R CB -0.755 29.487 30.300 -0.097 0.000 0.870 416 R HN 0.234 nan 8.270 nan 0.000 0.451 417 D N -0.004 120.293 120.400 -0.171 0.000 2.310 417 D HA -0.086 4.551 4.640 -0.005 0.000 0.212 417 D C 1.369 177.569 176.300 -0.166 0.000 0.965 417 D CA 1.011 54.946 54.000 -0.108 0.000 0.879 417 D CB 0.319 41.144 40.800 0.041 0.000 0.921 417 D HN 0.233 nan 8.370 nan 0.000 0.510 418 V N -4.259 115.562 119.914 -0.155 0.000 3.214 418 V HA 0.576 4.693 4.120 -0.005 0.000 0.330 418 V C 1.239 177.292 176.094 -0.069 0.000 1.403 418 V CA 0.222 62.456 62.300 -0.109 0.000 1.143 418 V CB 0.212 32.011 31.823 -0.039 0.000 1.098 418 V HN 0.118 nan 8.190 nan 0.000 0.463 419 G N 0.760 109.507 108.800 -0.089 0.000 2.143 419 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.249 419 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.249 419 G C 0.382 175.250 174.900 -0.052 0.000 0.981 419 G CA 0.442 45.507 45.100 -0.059 0.000 0.665 419 G HN 0.583 nan 8.290 nan 0.000 0.528 420 R N -0.214 120.227 120.500 -0.098 0.000 2.843 420 R HA 0.837 5.174 4.340 -0.005 0.000 0.232 420 R C 0.402 176.633 176.300 -0.115 0.000 1.305 420 R CA 0.375 56.420 56.100 -0.092 0.000 1.096 420 R CB 0.690 30.912 30.300 -0.130 0.000 1.455 420 R HN 0.628 nan 8.270 nan 0.000 0.520 421 T N -2.376 112.139 114.554 -0.064 0.000 2.909 421 T HA 0.276 4.623 4.350 -0.005 0.000 0.299 421 T C -0.769 173.971 174.700 0.066 0.000 1.073 421 T CA -0.759 61.334 62.100 -0.011 0.000 0.999 421 T CB 1.191 70.063 68.868 0.006 0.000 1.098 421 T HN 0.424 nan 8.240 nan 0.000 0.477 422 Y N 2.295 122.598 120.300 0.005 0.000 2.526 422 Y HA 0.415 4.962 4.550 -0.005 0.000 0.330 422 Y C -0.225 175.704 175.900 0.049 0.000 1.156 422 Y CA -0.405 57.738 58.100 0.071 0.000 1.419 422 Y CB 0.493 39.022 38.460 0.114 0.000 1.250 422 Y HN 0.597 nan 8.280 nan 0.000 0.540 423 E N 5.541 125.464 120.200 -0.462 0.000 2.114 423 E HA 0.401 4.748 4.350 -0.005 0.000 0.266 423 E C -0.937 175.187 176.600 -0.793 0.000 0.896 423 E CA -0.541 55.524 56.400 -0.558 0.000 0.750 423 E CB 1.408 30.960 29.700 -0.248 0.000 1.121 423 E HN 0.697 nan 8.360 nan 0.000 0.413 424 A N 3.914 126.222 122.820 -0.853 0.000 2.922 424 A HA 0.321 4.638 4.320 -0.005 0.000 0.298 424 A C 0.188 177.664 177.584 -0.180 0.000 1.588 424 A CA -0.504 51.284 52.037 -0.415 0.000 1.288 424 A CB -0.293 18.573 19.000 -0.224 0.000 1.130 424 A HN 0.312 nan 8.150 nan 0.000 0.557 425 V N 4.411 124.244 119.914 -0.135 0.000 2.488 425 V HA 0.223 4.341 4.120 -0.005 0.000 0.277 425 V C 0.432 176.630 176.094 0.174 0.000 1.046 425 V CA -0.222 62.107 62.300 0.049 0.000 0.986 425 V CB 0.493 32.422 31.823 0.177 0.000 0.989 425 V HN 0.613 nan 8.190 nan 0.000 0.475 435 G N -0.105 108.681 108.800 -0.023 0.000 2.464 435 G HA2 0.418 4.375 3.960 -0.005 0.000 0.217 435 G HA3 0.418 4.375 3.960 -0.005 0.000 0.217 435 G C 1.357 176.268 174.900 0.019 0.000 1.138 435 G CA 1.298 46.391 45.100 -0.013 0.000 0.793 435 G HN 2.448 nan 8.290 nan 0.000 0.539 436 G N -0.582 108.232 108.800 0.024 0.000 2.212 436 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.255 436 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.255 436 G C 0.986 175.954 174.900 0.114 0.000 1.062 436 G CA 0.335 45.474 45.100 0.065 0.000 0.815 436 G HN 0.452 nan 8.290 nan 0.000 0.497 437 V N 0.309 120.274 119.914 0.085 0.000 2.255 437 V HA -0.150 3.967 4.120 -0.005 0.000 0.247 437 V C 3.271 179.424 176.094 0.098 0.000 1.051 437 V CA 3.259 65.632 62.300 0.121 0.000 1.018 437 V CB -1.124 30.779 31.823 0.134 0.000 0.641 437 V HN 1.085 nan 8.190 nan 0.000 0.445 438 A N -1.062 121.794 122.820 0.059 0.000 1.883 438 A HA -0.309 4.008 4.320 -0.005 0.000 0.217 438 A C 2.172 179.766 177.584 0.017 0.000 1.186 438 A CA 2.406 54.447 52.037 0.008 0.000 0.624 438 A CB -0.880 18.114 19.000 -0.011 0.000 0.822 438 A HN 0.678 nan 8.150 nan 0.000 0.444 439 Y N 0.322 120.602 120.300 -0.033 0.000 2.114 439 Y HA -0.184 4.363 4.550 -0.005 0.000 0.284 439 Y C 2.060 177.942 175.900 -0.029 0.000 1.143 439 Y CA 1.975 60.053 58.100 -0.037 0.000 1.135 439 Y CB -0.278 38.163 38.460 -0.031 0.000 0.980 439 Y HN 0.261 nan 8.280 nan 0.000 0.499 440 I N -0.484 120.129 120.570 0.073 0.000 2.226 440 I HA -0.337 3.831 4.170 -0.005 0.000 0.245 440 I C 2.242 178.332 176.117 -0.045 0.000 1.100 440 I CA 1.131 62.436 61.300 0.008 0.000 1.374 440 I CB -0.374 37.721 38.000 0.159 0.000 1.057 440 I HN 0.301 nan 8.210 nan 0.000 0.413 441 M N 0.309 119.912 119.600 0.004 0.000 2.159 441 M HA -0.200 4.278 4.480 -0.005 0.000 0.263 441 M C 2.284 178.529 176.300 -0.092 0.000 1.063 441 M CA 1.666 56.961 55.300 -0.009 0.000 1.110 441 M CB -1.114 31.420 32.600 -0.110 0.000 1.374 441 M HN 0.205 nan 8.290 nan 0.000 0.411 442 K N -0.246 120.053 120.400 -0.169 0.000 2.031 442 K HA -0.088 4.230 4.320 -0.005 0.000 0.205 442 K C 1.887 178.319 176.600 -0.280 0.000 1.049 442 K CA 1.645 57.807 56.287 -0.208 0.000 0.939 442 K CB 0.092 32.460 32.500 -0.219 0.000 0.717 442 K HN 0.203 nan 8.250 nan 0.000 0.438 443 T N 1.279 115.575 114.554 -0.429 0.000 2.737 443 T HA -0.094 4.253 4.350 -0.005 0.000 0.265 443 T C 1.019 175.487 174.700 -0.386 0.000 1.038 443 T CA 1.653 63.469 62.100 -0.472 0.000 1.144 443 T CB -0.202 68.187 68.868 -0.799 0.000 0.866 443 T HN 0.277 nan 8.240 nan 0.000 0.434 444 D N -0.333 119.802 120.400 -0.442 0.000 2.346 444 D HA 0.045 4.682 4.640 -0.005 0.000 0.206 444 D C 1.367 177.062 176.300 -1.008 0.000 1.001 444 D CA 0.695 54.300 54.000 -0.659 0.000 0.871 444 D CB 0.102 40.483 40.800 -0.697 0.000 0.943 444 D HN 0.492 nan 8.370 nan 0.000 0.518 445 H N -1.756 117.124 119.070 -0.316 0.000 3.535 445 H HA 0.285 4.838 4.556 -0.004 0.000 0.260 445 H C 1.274 176.475 175.328 -0.211 0.000 1.173 445 H CA 0.624 56.446 56.048 -0.378 0.000 1.168 445 H CB 1.301 30.736 29.762 -0.546 0.000 1.568 445 H HN 0.098 nan 8.280 nan 0.000 0.602 446 G N 1.806 110.545 108.800 -0.101 0.000 2.153 446 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.252 446 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.252 446 G C 0.093 175.033 174.900 0.066 0.000 0.994 446 G CA 0.273 45.346 45.100 -0.044 0.000 0.698 446 G HN 0.249 nan 8.290 nan 0.000 0.521 447 L N 1.243 122.503 121.223 0.061 0.000 2.272 447 L HA 0.513 4.850 4.340 -0.005 0.000 0.289 447 L C 0.194 177.077 176.870 0.022 0.000 1.032 447 L CA -0.516 54.435 54.840 0.185 0.000 0.810 447 L CB 1.874 44.012 42.059 0.132 0.000 1.205 447 L HN 0.075 nan 8.230 nan 0.000 0.422 448 S N 5.125 120.831 115.700 0.010 0.000 2.543 448 S HA 0.413 4.880 4.470 -0.005 0.000 0.299 448 S C 0.081 174.478 174.600 -0.339 0.000 1.125 448 S CA -0.602 57.463 58.200 -0.224 0.000 1.098 448 S CB -0.007 62.948 63.200 -0.408 0.000 1.063 448 S HN 0.367 nan 8.310 nan 0.000 0.493 449 L N 3.937 124.938 121.223 -0.371 0.000 2.410 449 L HA 0.249 4.586 4.340 -0.005 0.000 0.273 449 L C -2.155 174.324 176.870 -0.653 0.000 1.152 449 L CA -1.915 52.566 54.840 -0.598 0.000 0.855 449 L CB -0.322 41.520 42.059 -0.361 0.000 1.129 449 L HN 0.208 nan 8.230 nan 0.000 0.463 450 P HA -0.037 nan 4.420 nan 0.000 0.265 450 P C 0.477 177.445 177.300 -0.553 0.000 1.187 450 P CA 0.058 62.686 63.100 -0.786 0.000 0.766 450 P CB 0.496 31.616 31.700 -0.967 0.000 0.820 451 R N 3.534 123.820 120.500 -0.357 0.000 2.113 451 R HA -0.225 4.112 4.340 -0.005 0.000 0.244 451 R C 1.855 178.058 176.300 -0.161 0.000 1.142 451 R CA 1.759 57.736 56.100 -0.206 0.000 0.953 451 R CB -0.107 30.121 30.300 -0.120 0.000 0.860 451 R HN 0.398 nan 8.270 nan 0.000 0.438 452 R N -0.014 120.416 120.500 -0.118 0.000 2.115 452 R HA -0.122 4.215 4.340 -0.005 0.000 0.230 452 R C 2.265 178.488 176.300 -0.127 0.000 1.111 452 R CA 1.022 57.143 56.100 0.036 0.000 0.976 452 R CB -0.365 30.156 30.300 0.368 0.000 0.870 452 R HN 0.228 nan 8.270 nan 0.000 0.445 453 L N 1.453 122.272 121.223 -0.673 0.000 2.072 453 L HA -0.136 4.201 4.340 -0.005 0.000 0.205 453 L C 2.016 178.769 176.870 -0.195 0.000 1.079 453 L CA 1.693 56.100 54.840 -0.722 0.000 0.752 453 L CB -0.495 40.858 42.059 -1.176 0.000 0.906 453 L HN 0.077 nan 8.230 nan 0.000 0.436 454 Q N -0.357 119.330 119.800 -0.189 0.000 2.096 454 Q HA -0.262 4.076 4.340 -0.005 0.000 0.208 454 Q C 2.236 178.270 176.000 0.058 0.000 0.993 454 Q CA 2.538 58.330 55.803 -0.018 0.000 0.862 454 Q CB -0.372 28.326 28.738 -0.068 0.000 0.915 454 Q HN 0.582 nan 8.270 nan 0.000 0.416 455 I N 0.461 121.045 120.570 0.023 0.000 2.113 455 I HA -0.289 3.878 4.170 -0.005 0.000 0.238 455 I C 2.534 178.713 176.117 0.105 0.000 1.070 455 I CA 1.281 62.614 61.300 0.055 0.000 1.332 455 I CB -0.378 37.655 38.000 0.055 0.000 1.044 455 I HN 0.283 nan 8.210 nan 0.000 0.402 456 E N 0.525 120.816 120.200 0.151 0.000 2.114 456 E HA -0.305 4.042 4.350 -0.005 0.000 0.199 456 E C 2.142 178.917 176.600 0.291 0.000 1.008 456 E CA 1.910 58.449 56.400 0.231 0.000 0.810 456 E CB -0.111 29.784 29.700 0.325 0.000 0.739 456 E HN 0.429 nan 8.360 nan 0.000 0.456 457 F N 0.936 120.980 119.950 0.158 0.000 2.270 457 F HA -0.055 4.469 4.527 -0.005 0.000 0.295 457 F C 2.555 178.439 175.800 0.141 0.000 1.087 457 F CA 1.492 59.620 58.000 0.212 0.000 1.365 457 F CB -0.529 38.650 39.000 0.297 0.000 1.056 457 F HN 0.036 nan 8.300 nan 0.000 0.506 458 S N 0.266 115.929 115.700 -0.062 0.000 2.399 458 S HA -0.214 4.253 4.470 -0.005 0.000 0.231 458 S C 2.152 176.660 174.600 -0.154 0.000 1.022 458 S CA 1.279 59.367 58.200 -0.188 0.000 0.983 458 S CB -1.402 61.762 63.200 -0.059 0.000 0.803 458 S HN 0.567 nan 8.310 nan 0.000 0.480 459 Q N 1.543 121.306 119.800 -0.061 0.000 2.096 459 Q HA 0.011 4.349 4.340 -0.005 0.000 0.204 459 Q C 2.519 178.483 176.000 -0.060 0.000 0.982 459 Q CA 1.955 57.737 55.803 -0.035 0.000 0.850 459 Q CB -1.657 27.091 28.738 0.018 0.000 0.901 459 Q HN 0.604 nan 8.270 nan 0.000 0.422 460 V N 0.672 120.538 119.914 -0.080 0.000 2.287 460 V HA -0.269 3.848 4.120 -0.005 0.000 0.248 460 V C 2.487 178.492 176.094 -0.148 0.000 1.053 460 V CA 1.958 64.208 62.300 -0.083 0.000 1.027 460 V CB -0.591 31.221 31.823 -0.018 0.000 0.646 460 V HN 0.683 nan 8.190 nan 0.000 0.447 461 I N 0.083 120.478 120.570 -0.292 0.000 2.286 461 I HA -0.295 3.872 4.170 -0.005 0.000 0.248 461 I C 3.063 179.106 176.117 -0.122 0.000 1.115 461 I CA 1.799 62.956 61.300 -0.238 0.000 1.392 461 I CB -0.839 36.959 38.000 -0.337 0.000 1.065 461 I HN 0.464 nan 8.210 nan 0.000 0.418 462 Q N 1.225 120.961 119.800 -0.106 0.000 2.045 462 Q HA -0.337 4.000 4.340 -0.005 0.000 0.206 462 Q C 2.550 178.524 176.000 -0.044 0.000 0.991 462 Q CA 3.071 58.837 55.803 -0.062 0.000 0.851 462 Q CB -1.371 27.338 28.738 -0.049 0.000 0.911 462 Q HN 0.616 nan 8.270 nan 0.000 0.418 463 K N -0.192 120.183 120.400 -0.042 0.000 1.985 463 K HA 0.338 4.655 4.320 -0.005 0.000 0.210 463 K C 1.952 178.537 176.600 -0.024 0.000 1.047 463 K CA 1.938 58.209 56.287 -0.027 0.000 0.932 463 K CB -1.874 30.613 32.500 -0.021 0.000 0.716 463 K HN 1.405 nan 8.250 nan 0.000 0.439 475 V N 2.795 122.715 119.914 0.010 0.000 2.508 475 V HA 0.207 4.325 4.120 -0.005 0.000 0.281 475 V C 0.662 176.785 176.094 0.048 0.000 1.041 475 V CA 0.363 62.679 62.300 0.028 0.000 1.016 475 V CB 0.756 32.591 31.823 0.019 0.000 0.984 475 V HN 0.698 nan 8.190 nan 0.000 0.478 476 S N 5.895 121.632 115.700 0.061 0.000 2.593 476 S HA 0.253 4.720 4.470 -0.005 0.000 0.269 476 S C -1.560 173.108 174.600 0.114 0.000 1.334 476 S CA -0.914 57.331 58.200 0.075 0.000 1.015 476 S CB 0.915 64.157 63.200 0.070 0.000 0.912 476 S HN 0.527 nan 8.310 nan 0.000 0.541 477 P HA -0.126 nan 4.420 nan 0.000 0.216 477 P C 1.867 179.309 177.300 0.236 0.000 1.157 477 P CA 2.718 65.918 63.100 0.167 0.000 0.880 477 P CB -0.344 31.429 31.700 0.122 0.000 0.791 478 K N 0.291 120.810 120.400 0.197 0.000 2.097 478 K HA -0.189 4.128 4.320 -0.005 0.000 0.205 478 K C 2.015 178.769 176.600 0.256 0.000 1.050 478 K CA 1.892 58.325 56.287 0.243 0.000 0.938 478 K CB -1.600 31.001 32.500 0.168 0.000 0.718 478 K HN 0.302 nan 8.250 nan 0.000 0.442 479 E N -0.454 119.856 120.200 0.184 0.000 2.077 479 E HA -0.120 4.227 4.350 -0.005 0.000 0.193 479 E C 2.183 178.899 176.600 0.192 0.000 0.989 479 E CA 1.355 57.847 56.400 0.154 0.000 0.800 479 E CB -0.145 29.617 29.700 0.104 0.000 0.746 479 E HN 0.601 nan 8.360 nan 0.000 0.452 480 M N 0.370 120.108 119.600 0.231 0.000 2.086 480 M HA -0.188 4.289 4.480 -0.005 0.000 0.261 480 M C 2.163 178.726 176.300 0.437 0.000 1.067 480 M CA 1.640 57.125 55.300 0.307 0.000 1.116 480 M CB -0.247 32.527 32.600 0.289 0.000 1.348 480 M HN 0.343 nan 8.290 nan 0.000 0.407 481 W N 1.680 123.089 121.300 0.183 0.000 2.355 481 W HA -0.244 4.414 4.660 -0.004 0.000 0.309 481 W C 1.411 178.012 176.519 0.136 0.000 1.206 481 W CA 1.789 59.168 57.345 0.058 0.000 1.284 481 W CB -0.528 28.878 29.460 -0.090 0.000 1.145 481 W HN 0.319 nan 8.180 nan 0.000 0.502 482 D N 0.743 121.181 120.400 0.063 0.000 2.133 482 D HA -0.202 4.435 4.640 -0.005 0.000 0.195 482 D C 2.309 178.570 176.300 -0.065 0.000 0.997 482 D CA 2.277 56.248 54.000 -0.049 0.000 0.840 482 D CB -0.868 39.976 40.800 0.074 0.000 0.947 482 D HN 0.215 nan 8.370 nan 0.000 0.452 483 A N 0.060 122.930 122.820 0.083 0.000 1.930 483 A HA -0.124 4.193 4.320 -0.005 0.000 0.217 483 A C 2.129 179.816 177.584 0.172 0.000 1.175 483 A CA 0.837 52.965 52.037 0.151 0.000 0.627 483 A CB -0.937 18.210 19.000 0.246 0.000 0.815 483 A HN 0.243 nan 8.150 nan 0.000 0.443 484 F N 0.967 120.918 119.950 0.001 0.000 2.102 484 F HA -0.114 4.410 4.527 -0.004 0.000 0.298 484 F C 2.561 178.123 175.800 -0.397 0.000 1.105 484 F CA 1.504 59.292 58.000 -0.353 0.000 1.239 484 F CB -0.292 38.347 39.000 -0.601 0.000 0.991 484 F HN 0.253 nan 8.300 nan 0.000 0.474 485 A N -0.071 122.417 122.820 -0.553 0.000 1.933 485 A HA -0.172 4.145 4.320 -0.005 0.000 0.218 485 A C 2.004 179.388 177.584 -0.333 0.000 1.175 485 A CA 1.965 53.674 52.037 -0.546 0.000 0.628 485 A CB -1.137 17.475 19.000 -0.646 0.000 0.814 485 A HN 0.409 nan 8.150 nan 0.000 0.444 486 E N -0.520 119.529 120.200 -0.251 0.000 2.106 486 E HA -0.140 4.207 4.350 -0.005 0.000 0.192 486 E C 2.025 178.494 176.600 -0.218 0.000 0.984 486 E CA 1.220 57.514 56.400 -0.176 0.000 0.806 486 E CB -0.294 29.343 29.700 -0.105 0.000 0.750 486 E HN 0.812 nan 8.360 nan 0.000 0.458 487 E N -1.389 118.628 120.200 -0.306 0.000 2.086 487 E HA -0.042 4.305 4.350 -0.005 0.000 0.190 487 E C 1.745 177.968 176.600 -0.629 0.000 0.975 487 E CA 0.898 57.009 56.400 -0.481 0.000 0.813 487 E CB 0.048 29.379 29.700 -0.614 0.000 0.768 487 E HN 0.513 nan 8.360 nan 0.000 0.457 488 Y N -0.575 119.434 120.300 -0.486 0.000 2.558 488 Y HA 0.151 4.699 4.550 -0.005 0.000 0.273 488 Y C 1.939 177.635 175.900 -0.340 0.000 1.100 488 Y CA 0.252 58.068 58.100 -0.473 0.000 1.276 488 Y CB 0.441 38.404 38.460 -0.828 0.000 1.196 488 Y HN -0.084 nan 8.280 nan 0.000 0.527 489 L N -1.789 119.313 121.223 -0.202 0.000 2.445 489 L HA 0.268 4.605 4.340 -0.005 0.000 0.207 489 L C 2.358 179.166 176.870 -0.104 0.000 1.053 489 L CA 0.785 55.545 54.840 -0.132 0.000 0.841 489 L CB -0.451 41.529 42.059 -0.133 0.000 1.074 489 L HN 0.063 nan 8.230 nan 0.000 0.479 490 A N 0.098 122.842 122.820 -0.127 0.000 1.930 490 A HA 0.116 4.433 4.320 -0.005 0.000 0.215 490 A C -1.272 176.267 177.584 -0.075 0.000 1.176 490 A CA 0.409 52.392 52.037 -0.090 0.000 0.632 490 A CB -1.651 17.293 19.000 -0.094 0.000 0.819 490 A HN 0.200 nan 8.150 nan 0.000 0.445 491 P HA 0.188 nan 4.420 nan 0.000 0.265 491 P C 0.231 177.497 177.300 -0.057 0.000 1.193 491 P CA 0.455 63.509 63.100 -0.075 0.000 0.765 491 P CB 0.985 32.628 31.700 -0.096 0.000 0.823 492 V N 0.125 120.015 119.914 -0.041 0.000 3.330 492 V HA 0.407 4.525 4.120 -0.005 0.000 0.309 492 V C 0.296 176.378 176.094 -0.021 0.000 1.481 492 V CA -0.025 62.258 62.300 -0.029 0.000 1.068 492 V CB -0.404 31.408 31.823 -0.017 0.000 0.935 492 V HN 0.303 nan 8.190 nan 0.000 0.453 493 R N 1.221 121.707 120.500 -0.024 0.000 2.686 493 R HA 0.542 4.880 4.340 -0.005 0.000 0.283 493 R C -2.157 174.135 176.300 -0.014 0.000 0.978 493 R CA -1.570 54.526 56.100 -0.007 0.000 0.897 493 R CB 2.247 32.549 30.300 0.003 0.000 1.192 493 R HN -0.035 nan 8.270 nan 0.000 0.457 494 P HA -0.087 nan 4.420 nan 0.000 0.226 494 P C -0.113 177.216 177.300 0.050 0.000 1.153 494 P CA 0.705 63.850 63.100 0.075 0.000 0.777 494 P CB 0.411 32.234 31.700 0.206 0.000 0.794 495 L N 0.147 121.333 121.223 -0.062 0.000 2.313 495 L HA 0.482 4.820 4.340 -0.005 0.000 0.283 495 L C -0.443 176.398 176.870 -0.048 0.000 1.013 495 L CA -0.809 53.971 54.840 -0.100 0.000 0.816 495 L CB 1.568 43.429 42.059 -0.329 0.000 1.236 495 L HN -0.226 nan 8.230 nan 0.000 0.419 496 E N 4.692 124.890 120.200 -0.003 0.000 2.234 496 E HA 0.367 4.714 4.350 -0.005 0.000 0.266 496 E C -1.210 175.413 176.600 0.040 0.000 0.877 496 E CA -0.882 55.524 56.400 0.010 0.000 0.758 496 E CB 1.421 31.127 29.700 0.010 0.000 1.170 496 E HN 0.586 nan 8.360 nan 0.000 0.415 497 R N 6.417 126.944 120.500 0.046 0.000 2.229 497 R HA 0.216 4.553 4.340 -0.005 0.000 0.332 497 R C 0.476 176.793 176.300 0.029 0.000 0.989 497 R CA -0.467 55.675 56.100 0.069 0.000 0.842 497 R CB 0.485 30.829 30.300 0.074 0.000 1.119 497 R HN 0.597 nan 8.270 nan 0.000 0.456 498 I N 3.842 124.434 120.570 0.037 0.000 2.270 498 I HA 0.011 4.178 4.170 -0.005 0.000 0.239 498 I C 1.073 177.198 176.117 0.012 0.000 1.080 498 I CA 1.151 62.464 61.300 0.022 0.000 1.383 498 I CB -0.768 37.248 38.000 0.027 0.000 1.097 498 I HN 0.686 nan 8.210 nan 0.000 0.420 499 R N 1.367 121.880 120.500 0.022 0.000 2.747 499 R HA 0.527 4.864 4.340 -0.005 0.000 0.272 499 R C -1.561 174.757 176.300 0.031 0.000 1.032 499 R CA -0.776 55.332 56.100 0.014 0.000 0.896 499 R CB 1.631 31.942 30.300 0.019 0.000 1.253 499 R HN 0.124 nan 8.270 nan 0.000 0.461 500 Q N 1.384 121.201 119.800 0.028 0.000 2.522 500 Q HA 0.281 4.618 4.340 -0.005 0.000 0.285 500 Q C -1.801 174.253 176.000 0.090 0.000 0.982 500 Q CA -0.885 54.951 55.803 0.055 0.000 0.805 500 Q CB 1.833 30.575 28.738 0.007 0.000 1.457 500 Q HN 0.809 nan 8.270 nan 0.000 0.394 501 H N 0.288 119.363 119.070 0.008 0.000 2.539 501 H HA 0.640 5.193 4.556 -0.005 0.000 0.332 501 H C -1.333 173.998 175.328 0.004 0.000 1.031 501 H CA -0.450 55.600 56.048 0.003 0.000 1.206 501 H CB 1.445 31.212 29.762 0.008 0.000 1.446 501 H HN 0.409 nan 8.280 nan 0.000 0.496 502 V N 5.341 124.967 119.914 -0.481 0.000 2.350 502 V HA 0.126 4.243 4.120 -0.005 0.000 0.276 502 V C -0.061 175.768 176.094 -0.441 0.000 1.028 502 V CA -0.686 61.413 62.300 -0.334 0.000 0.860 502 V CB 1.161 32.861 31.823 -0.205 0.000 0.990 502 V HN 0.794 nan 8.190 nan 0.000 0.453 503 D N 4.630 124.885 120.400 -0.240 0.000 2.499 503 D HA 0.497 5.134 4.640 -0.005 0.000 0.225 503 D C 0.245 176.501 176.300 -0.072 0.000 1.124 503 D CA -0.123 53.800 54.000 -0.129 0.000 0.938 503 D CB 1.213 42.003 40.800 -0.016 0.000 1.014 503 D HN 0.674 nan 8.370 nan 0.000 0.517 504 A N 2.184 124.957 122.820 -0.078 0.000 2.371 504 A HA 0.649 4.966 4.320 -0.005 0.000 0.257 504 A C 0.370 177.938 177.584 -0.027 0.000 1.089 504 A CA -0.418 51.589 52.037 -0.050 0.000 0.794 504 A CB 0.633 19.601 19.000 -0.054 0.000 1.029 504 A HN 0.601 nan 8.150 nan 0.000 0.488 505 A N 1.609 124.418 122.820 -0.019 0.000 2.450 505 A HA 0.392 4.710 4.320 -0.005 0.000 0.255 505 A C 0.502 178.081 177.584 -0.008 0.000 1.096 505 A CA -0.186 51.846 52.037 -0.009 0.000 0.778 505 A CB -0.087 18.909 19.000 -0.005 0.000 1.031 505 A HN 0.806 nan 8.150 nan 0.000 0.494 506 D N 0.789 121.187 120.400 -0.004 0.000 2.144 506 D HA -0.066 4.571 4.640 -0.005 0.000 0.199 506 D C 0.009 176.308 176.300 -0.002 0.000 0.984 506 D CA 1.508 55.507 54.000 -0.003 0.000 0.834 506 D CB 0.085 40.885 40.800 0.001 0.000 0.955 506 D HN 0.602 nan 8.370 nan 0.000 0.465 507 D N 1.356 121.756 120.400 -0.001 0.000 2.175 507 D HA 0.082 4.719 4.640 -0.005 0.000 0.248 507 D C -0.356 175.944 176.300 -0.000 0.000 1.047 507 D CA -0.412 53.588 54.000 0.000 0.000 0.883 507 D CB 1.082 41.883 40.800 0.002 0.000 1.180 507 D HN -0.052 nan 8.370 nan 0.000 0.438 508 D N 0.455 120.856 120.400 0.000 0.000 2.531 508 D HA 0.176 4.813 4.640 -0.005 0.000 0.239 508 D C 1.538 177.839 176.300 0.001 0.000 1.144 508 D CA 0.829 54.829 54.000 0.001 0.000 0.869 508 D CB 0.643 41.444 40.800 0.002 0.000 1.160 508 D HN 0.712 nan 8.370 nan 0.000 0.484 509 G N 1.759 110.560 108.800 0.001 0.000 2.184 509 G HA2 -0.200 3.758 3.960 -0.005 0.000 0.264 509 G HA3 -0.200 3.758 3.960 -0.005 0.000 0.264 509 G C 0.781 175.682 174.900 0.003 0.000 0.975 509 G CA 0.240 45.341 45.100 0.002 0.000 0.642 509 G HN 0.826 nan 8.290 nan 0.000 0.536 510 G N -0.816 107.985 108.800 0.002 0.000 2.616 510 G HA2 0.538 4.495 3.960 -0.005 0.000 0.268 510 G HA3 0.538 4.495 3.960 -0.005 0.000 0.268 510 G C 0.248 175.150 174.900 0.004 0.000 1.213 510 G CA 0.594 45.696 45.100 0.003 0.000 0.926 510 G HN 0.576 nan 8.290 nan 0.000 0.523 511 T N 0.357 114.915 114.554 0.006 0.000 2.889 511 T HA 0.471 4.818 4.350 -0.005 0.000 0.291 511 T C 0.204 174.907 174.700 0.005 0.000 0.995 511 T CA 0.164 62.270 62.100 0.011 0.000 1.092 511 T CB 1.212 70.090 68.868 0.017 0.000 0.954 511 T HN 0.373 nan 8.240 nan 0.000 0.506 512 T N 2.970 117.526 114.554 0.003 0.000 2.794 512 T HA 0.512 4.859 4.350 -0.005 0.000 0.280 512 T C -0.081 174.622 174.700 0.004 0.000 0.987 512 T CA -0.543 61.552 62.100 -0.009 0.000 0.993 512 T CB 1.097 69.949 68.868 -0.027 0.000 0.939 512 T HN 0.492 nan 8.240 nan 0.000 0.449 513 S N 2.472 118.173 115.700 0.002 0.000 2.578 513 S HA 0.759 5.226 4.470 -0.005 0.000 0.301 513 S C -0.753 173.854 174.600 0.012 0.000 1.091 513 S CA -0.739 57.473 58.200 0.021 0.000 1.032 513 S CB 1.225 64.444 63.200 0.032 0.000 1.064 513 S HN 0.682 nan 8.310 nan 0.000 0.508 514 I N 1.379 121.976 120.570 0.044 0.000 2.686 514 I HA 0.493 4.660 4.170 -0.005 0.000 0.295 514 I C -1.312 174.863 176.117 0.097 0.000 1.114 514 I CA -0.188 61.149 61.300 0.061 0.000 1.038 514 I CB 2.232 40.288 38.000 0.093 0.000 1.238 514 I HN 0.527 nan 8.210 nan 0.000 0.420 515 T N 6.107 120.731 114.554 0.117 0.000 2.841 515 T HA 0.770 5.117 4.350 -0.005 0.000 0.285 515 T C -0.759 174.022 174.700 0.134 0.000 0.991 515 T CA -0.499 61.672 62.100 0.120 0.000 0.966 515 T CB 1.537 70.472 68.868 0.112 0.000 0.962 515 T HN 0.657 nan 8.240 nan 0.000 0.438 516 A N 2.353 125.257 122.820 0.141 0.000 2.401 516 A HA 0.784 5.101 4.320 -0.005 0.000 0.310 516 A C -0.046 177.606 177.584 0.115 0.000 1.075 516 A CA -0.822 51.308 52.037 0.155 0.000 0.746 516 A CB 1.173 20.345 19.000 0.286 0.000 1.277 516 A HN 0.650 nan 8.150 nan 0.000 0.425 517 T N 2.045 116.655 114.554 0.094 0.000 2.733 517 T HA 0.526 4.873 4.350 -0.005 0.000 0.294 517 T C 0.166 174.915 174.700 0.082 0.000 0.956 517 T CA -0.110 62.033 62.100 0.072 0.000 0.987 517 T CB 0.312 69.210 68.868 0.050 0.000 0.920 517 T HN 1.341 nan 8.240 nan 0.000 0.470 518 V N 1.248 121.209 119.914 0.079 0.000 3.074 518 V HA 0.773 4.891 4.120 -0.005 0.000 0.314 518 V C -0.976 175.154 176.094 0.061 0.000 1.117 518 V CA -1.368 60.980 62.300 0.080 0.000 1.014 518 V CB 2.109 33.990 31.823 0.097 0.000 1.057 518 V HN 0.661 nan 8.190 nan 0.000 0.438 519 K N 2.042 122.475 120.400 0.055 0.000 2.270 519 K HA 0.732 5.049 4.320 -0.005 0.000 0.255 519 K C -1.335 175.305 176.600 0.067 0.000 0.936 519 K CA -0.467 55.850 56.287 0.051 0.000 0.809 519 K CB 2.249 34.770 32.500 0.036 0.000 1.131 519 K HN 0.681 nan 8.250 nan 0.000 0.427 520 I N 3.408 124.025 120.570 0.079 0.000 2.359 520 I HA 0.141 4.308 4.170 -0.005 0.000 0.284 520 I C -0.284 175.880 176.117 0.078 0.000 1.018 520 I CA -0.613 60.756 61.300 0.116 0.000 1.173 520 I CB 0.921 39.001 38.000 0.133 0.000 1.326 520 I HN 0.628 nan 8.210 nan 0.000 0.462 521 N N 5.554 124.300 118.700 0.076 0.000 2.714 521 N HA -0.217 4.520 4.740 -0.005 0.000 0.252 521 N C 1.014 176.543 175.510 0.032 0.000 1.014 521 N CA 1.217 54.296 53.050 0.048 0.000 0.735 521 N CB -0.702 37.811 38.487 0.044 0.000 0.924 521 N HN 1.180 nan 8.380 nan 0.000 0.540 522 G N -2.656 106.162 108.800 0.030 0.000 2.225 522 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.254 522 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.254 522 G C 0.068 174.982 174.900 0.023 0.000 0.988 522 G CA 0.310 45.423 45.100 0.022 0.000 0.625 522 G HN 0.465 nan 8.290 nan 0.000 0.527 523 V N 1.900 121.831 119.914 0.027 0.000 2.385 523 V HA 0.405 4.522 4.120 -0.005 0.000 0.269 523 V C 0.765 176.877 176.094 0.029 0.000 1.043 523 V CA -0.452 61.862 62.300 0.024 0.000 0.906 523 V CB 1.548 33.383 31.823 0.020 0.000 0.995 523 V HN 0.442 nan 8.190 nan 0.000 0.467 524 E N 3.700 123.914 120.200 0.025 0.000 2.415 524 E HA 0.232 4.579 4.350 -0.005 0.000 0.263 524 E C -0.591 176.026 176.600 0.028 0.000 0.995 524 E CA 0.162 56.579 56.400 0.028 0.000 0.915 524 E CB 0.564 30.278 29.700 0.022 0.000 0.951 524 E HN 0.765 nan 8.360 nan 0.000 0.449 525 T N 4.476 119.051 114.554 0.036 0.000 2.933 525 T HA 0.215 4.562 4.350 -0.005 0.000 0.305 525 T C -1.179 173.545 174.700 0.040 0.000 1.092 525 T CA -0.961 61.160 62.100 0.034 0.000 1.008 525 T CB 1.488 70.380 68.868 0.040 0.000 1.102 525 T HN 0.352 nan 8.240 nan 0.000 0.469 526 E N 2.621 122.841 120.200 0.034 0.000 2.249 526 E HA 0.522 4.869 4.350 -0.005 0.000 0.280 526 E C -0.082 176.541 176.600 0.037 0.000 1.016 526 E CA -0.481 55.943 56.400 0.039 0.000 0.830 526 E CB 1.548 31.267 29.700 0.032 0.000 1.081 526 E HN 0.689 nan 8.360 nan 0.000 0.395 527 I N -1.553 119.046 120.570 0.047 0.000 2.785 527 I HA 0.710 4.877 4.170 -0.005 0.000 0.302 527 I C -0.428 175.718 176.117 0.048 0.000 1.069 527 I CA -0.765 60.554 61.300 0.033 0.000 1.045 527 I CB 2.446 40.449 38.000 0.005 0.000 1.236 527 I HN 0.252 nan 8.210 nan 0.000 0.429 528 S N 2.371 118.094 115.700 0.037 0.000 2.533 528 S HA 0.899 5.366 4.470 -0.005 0.000 0.271 528 S C -0.776 173.852 174.600 0.046 0.000 1.143 528 S CA 0.000 58.231 58.200 0.052 0.000 0.891 528 S CB 1.707 64.937 63.200 0.050 0.000 1.105 528 S HN 1.369 nan 8.310 nan 0.000 0.468 529 G N 1.457 110.294 108.800 0.062 0.000 2.660 529 G HA2 0.672 4.629 3.960 -0.005 0.000 0.290 529 G HA3 0.672 4.629 3.960 -0.005 0.000 0.290 529 G C -1.526 173.424 174.900 0.085 0.000 1.432 529 G CA -0.479 44.668 45.100 0.077 0.000 0.807 529 G HN 0.776 nan 8.290 nan 0.000 0.485 530 S N -1.792 113.979 115.700 0.117 0.000 2.599 530 S HA 0.971 5.439 4.470 -0.005 0.000 0.287 530 S C 0.124 174.838 174.600 0.189 0.000 1.105 530 S CA 0.091 58.355 58.200 0.105 0.000 0.899 530 S CB 1.992 65.234 63.200 0.070 0.000 1.100 530 S HN 1.739 nan 8.310 nan 0.000 0.482 531 G N 1.026 109.892 108.800 0.111 0.000 2.428 531 G HA2 0.268 4.225 3.960 -0.005 0.000 0.304 531 G HA3 0.268 4.225 3.960 -0.005 0.000 0.304 531 G C -0.572 174.354 174.900 0.043 0.000 1.303 531 G CA -0.633 44.539 45.100 0.120 0.000 0.825 531 G HN 0.474 nan 8.290 nan 0.000 0.484 532 N N -0.237 118.481 118.700 0.029 0.000 2.512 532 N HA 0.218 4.955 4.740 -0.005 0.000 0.183 532 N C 0.833 176.329 175.510 -0.024 0.000 1.073 532 N CA 1.273 54.326 53.050 0.004 0.000 0.911 532 N CB 0.496 38.986 38.487 0.005 0.000 0.964 532 N HN 0.946 nan 8.380 nan 0.000 0.447 533 G N -0.876 107.897 108.800 -0.046 0.000 2.600 533 G HA2 0.288 4.245 3.960 -0.005 0.000 0.293 533 G HA3 0.288 4.245 3.960 -0.005 0.000 0.293 533 G C -2.285 172.568 174.900 -0.078 0.000 1.408 533 G CA -0.695 44.366 45.100 -0.065 0.000 0.782 533 G HN -0.230 nan 8.290 nan 0.000 0.482 534 P HA -0.055 nan 4.420 nan 0.000 0.217 534 P C 2.019 179.271 177.300 -0.080 0.000 1.150 534 P CA 0.541 63.593 63.100 -0.080 0.000 0.832 534 P CB 0.350 31.990 31.700 -0.099 0.000 0.787 535 L N 0.291 121.438 121.223 -0.126 0.000 2.027 535 L HA -0.023 4.314 4.340 -0.005 0.000 0.206 535 L C 2.534 179.323 176.870 -0.135 0.000 1.074 535 L CA 2.058 56.819 54.840 -0.132 0.000 0.745 535 L CB -1.601 40.310 42.059 -0.246 0.000 0.898 535 L HN -0.095 nan 8.230 nan 0.000 0.433 536 A N -0.368 122.329 122.820 -0.206 0.000 1.877 536 A HA -0.126 4.191 4.320 -0.005 0.000 0.216 536 A C 2.469 179.730 177.584 -0.537 0.000 1.186 536 A CA 1.959 53.766 52.037 -0.384 0.000 0.620 536 A CB -1.271 17.565 19.000 -0.274 0.000 0.822 536 A HN 0.586 nan 8.150 nan 0.000 0.443 537 A N -1.211 121.477 122.820 -0.221 0.000 1.883 537 A HA -0.112 4.205 4.320 -0.005 0.000 0.217 537 A C 2.078 179.655 177.584 -0.011 0.000 1.186 537 A CA 1.798 53.789 52.037 -0.077 0.000 0.624 537 A CB -0.760 18.241 19.000 0.002 0.000 0.822 537 A HN 0.683 nan 8.150 nan 0.000 0.444 538 F N 0.458 120.325 119.950 -0.138 0.000 2.146 538 F HA -0.110 4.415 4.527 -0.005 0.000 0.298 538 F C 2.295 178.047 175.800 -0.081 0.000 1.096 538 F CA 1.641 59.589 58.000 -0.087 0.000 1.275 538 F CB -0.354 38.592 39.000 -0.091 0.000 1.008 538 F HN 0.023 nan 8.300 nan 0.000 0.480 539 V N 0.253 120.095 119.914 -0.120 0.000 2.332 539 V HA -0.367 3.750 4.120 -0.005 0.000 0.248 539 V C 2.278 178.320 176.094 -0.087 0.000 1.055 539 V CA 2.598 64.797 62.300 -0.168 0.000 1.038 539 V CB -0.958 30.774 31.823 -0.153 0.000 0.651 539 V HN 0.466 nan 8.190 nan 0.000 0.450 540 H N -0.337 118.697 119.070 -0.060 0.000 2.389 540 H HA -0.023 4.530 4.556 -0.005 0.000 0.299 540 H C 2.291 177.578 175.328 -0.069 0.000 1.081 540 H CA 0.922 56.940 56.048 -0.050 0.000 1.345 540 H CB -0.116 29.630 29.762 -0.027 0.000 1.393 540 H HN 0.477 nan 8.280 nan 0.000 0.520 541 A N 1.170 123.996 122.820 0.010 0.000 1.972 541 A HA -0.129 4.188 4.320 -0.005 0.000 0.219 541 A C 2.254 179.784 177.584 -0.091 0.000 1.169 541 A CA 1.067 53.077 52.037 -0.045 0.000 0.635 541 A CB -0.650 18.312 19.000 -0.064 0.000 0.810 541 A HN 0.318 nan 8.150 nan 0.000 0.446 542 L N -0.964 120.158 121.223 -0.167 0.000 2.275 542 L HA -0.148 4.189 4.340 -0.005 0.000 0.215 542 L C 2.989 179.878 176.870 0.031 0.000 1.119 542 L CA 0.684 55.471 54.840 -0.088 0.000 0.790 542 L CB -0.467 41.495 42.059 -0.161 0.000 0.919 542 L HN 0.451 nan 8.230 nan 0.000 0.443 543 A N -0.091 122.734 122.820 0.009 0.000 1.933 543 A HA -0.232 4.085 4.320 -0.005 0.000 0.218 543 A C 1.854 179.421 177.584 -0.027 0.000 1.175 543 A CA 1.842 53.881 52.037 0.003 0.000 0.628 543 A CB -0.413 18.590 19.000 0.005 0.000 0.814 543 A HN 0.338 nan 8.150 nan 0.000 0.444 544 D N -0.902 119.484 120.400 -0.022 0.000 2.263 544 D HA -0.039 4.598 4.640 -0.005 0.000 0.208 544 D C 1.215 177.485 176.300 -0.050 0.000 0.971 544 D CA 0.905 54.886 54.000 -0.031 0.000 0.867 544 D CB 0.111 40.901 40.800 -0.017 0.000 0.929 544 D HN 0.227 nan 8.370 nan 0.000 0.492 545 V N -0.869 119.013 119.914 -0.054 0.000 3.319 545 V HA 0.299 4.416 4.120 -0.005 0.000 0.317 545 V C 1.284 177.203 176.094 -0.291 0.000 1.411 545 V CA 0.647 62.894 62.300 -0.088 0.000 1.112 545 V CB 0.703 32.538 31.823 0.020 0.000 1.031 545 V HN 0.332 nan 8.190 nan 0.000 0.448 546 G N 0.532 109.158 108.800 -0.289 0.000 2.176 546 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.232 546 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.232 546 G C -0.057 174.514 174.900 -0.549 0.000 0.986 546 G CA -0.213 44.629 45.100 -0.429 0.000 0.643 546 G HN 0.423 nan 8.290 nan 0.000 0.522 547 F N 1.945 121.862 119.950 -0.055 0.000 2.308 547 F HA 0.515 5.039 4.527 -0.005 0.000 0.370 547 F C 0.697 176.464 175.800 -0.055 0.000 1.100 547 F CA -0.091 57.874 58.000 -0.057 0.000 1.108 547 F CB 1.060 40.015 39.000 -0.075 0.000 1.293 547 F HN 0.165 nan 8.300 nan 0.000 0.478 548 D N 3.540 123.995 120.400 0.092 0.000 2.393 548 D HA 0.537 5.175 4.640 -0.005 0.000 0.232 548 D C -0.469 175.866 176.300 0.058 0.000 1.192 548 D CA -0.281 53.749 54.000 0.051 0.000 0.882 548 D CB 1.070 41.879 40.800 0.016 0.000 1.038 548 D HN 0.313 nan 8.370 nan 0.000 0.499 549 V N 0.814 120.758 119.914 0.050 0.000 2.448 549 V HA 0.796 4.913 4.120 -0.005 0.000 0.295 549 V C 0.304 176.410 176.094 0.020 0.000 1.025 549 V CA -0.978 61.338 62.300 0.026 0.000 0.859 549 V CB 1.312 33.137 31.823 0.003 0.000 0.988 549 V HN 0.943 nan 8.190 nan 0.000 0.431 550 A N 4.576 127.398 122.820 0.004 0.000 2.304 550 A HA 0.754 5.071 4.320 -0.005 0.000 0.314 550 A C -0.565 177.002 177.584 -0.028 0.000 1.187 550 A CA -0.545 51.492 52.037 -0.001 0.000 0.810 550 A CB 1.308 20.309 19.000 0.001 0.000 1.183 550 A HN 0.662 nan 8.150 nan 0.000 0.487 551 V N 4.956 124.851 119.914 -0.033 0.000 2.446 551 V HA 0.033 4.150 4.120 -0.005 0.000 0.276 551 V C 1.114 177.174 176.094 -0.057 0.000 1.030 551 V CA 0.421 62.689 62.300 -0.054 0.000 1.033 551 V CB 0.228 32.014 31.823 -0.061 0.000 0.993 551 V HN 0.897 nan 8.190 nan 0.000 0.477 552 L N 2.401 123.570 121.223 -0.090 0.000 2.316 552 L HA 0.380 4.717 4.340 -0.005 0.000 0.207 552 L C 0.582 177.407 176.870 -0.076 0.000 1.070 552 L CA 0.675 55.465 54.840 -0.082 0.000 0.820 552 L CB 0.186 42.181 42.059 -0.107 0.000 0.992 552 L HN 0.595 nan 8.230 nan 0.000 0.466 553 D N -1.883 118.447 120.400 -0.117 0.000 2.599 553 D HA 0.359 4.996 4.640 -0.005 0.000 0.252 553 D C -1.889 174.388 176.300 -0.038 0.000 1.232 553 D CA -0.365 53.581 54.000 -0.090 0.000 0.819 553 D CB 2.549 43.342 40.800 -0.013 0.000 1.401 553 D HN -0.116 nan 8.370 nan 0.000 0.429 554 Y N 1.114 121.213 120.300 -0.335 0.000 2.480 554 Y HA 0.572 5.119 4.550 -0.005 0.000 0.329 554 Y C -2.303 173.305 175.900 -0.488 0.000 1.127 554 Y CA -0.578 57.406 58.100 -0.194 0.000 1.037 554 Y CB 0.810 39.206 38.460 -0.107 0.000 1.320 554 Y HN 0.370 nan 8.280 nan 0.000 0.446 555 Y N 3.245 123.304 120.300 -0.400 0.000 2.524 555 Y HA 0.619 5.166 4.550 -0.005 0.000 0.347 555 Y C -0.631 175.046 175.900 -0.371 0.000 1.005 555 Y CA -0.956 56.913 58.100 -0.385 0.000 1.025 555 Y CB 2.670 41.131 38.460 0.003 0.000 1.275 555 Y HN 0.708 nan 8.280 nan 0.000 0.460 556 E N 1.050 121.170 120.200 -0.133 0.000 2.356 556 E HA 0.501 4.848 4.350 -0.005 0.000 0.275 556 E C -1.879 174.783 176.600 0.104 0.000 0.904 556 E CA -0.819 55.566 56.400 -0.025 0.000 0.757 556 E CB 1.864 31.545 29.700 -0.032 0.000 1.232 556 E HN 0.757 nan 8.360 nan 0.000 0.442 557 H N 0.433 119.570 119.070 0.111 0.000 3.012 557 H HA 0.740 5.294 4.556 -0.005 0.000 0.367 557 H C -1.154 174.206 175.328 0.052 0.000 1.211 557 H CA -0.736 55.359 56.048 0.079 0.000 1.139 557 H CB 1.036 30.848 29.762 0.083 0.000 1.838 557 H HN 0.494 nan 8.280 nan 0.000 0.550 558 A N 2.269 125.216 122.820 0.213 0.000 2.425 558 A HA 0.264 4.581 4.320 -0.005 0.000 0.242 558 A C 0.704 178.425 177.584 0.229 0.000 1.077 558 A CA -0.277 51.843 52.037 0.139 0.000 0.781 558 A CB 0.034 19.089 19.000 0.093 0.000 1.020 558 A HN 0.930 nan 8.150 nan 0.000 0.494 559 M N 0.574 120.246 119.600 0.120 0.000 2.414 559 M HA 0.121 4.598 4.480 -0.005 0.000 0.251 559 M C -0.009 176.324 176.300 0.055 0.000 1.116 559 M CA 0.534 55.905 55.300 0.118 0.000 1.056 559 M CB 0.279 32.927 32.600 0.080 0.000 1.388 559 M HN 0.682 nan 8.290 nan 0.000 0.487 560 S N -0.827 114.896 115.700 0.038 0.000 2.671 560 S HA 0.722 5.189 4.470 -0.005 0.000 0.277 560 S C -0.802 173.808 174.600 0.015 0.000 1.165 560 S CA -1.012 57.197 58.200 0.015 0.000 0.822 560 S CB 1.614 64.816 63.200 0.003 0.000 1.150 560 S HN 0.256 nan 8.310 nan 0.000 0.479 561 A N 0.137 122.960 122.820 0.005 0.000 2.386 561 A HA 0.754 5.071 4.320 -0.005 0.000 0.246 561 A C 0.773 178.360 177.584 0.005 0.000 1.089 561 A CA 0.535 52.575 52.037 0.005 0.000 0.790 561 A CB -0.737 18.262 19.000 -0.001 0.000 1.042 561 A HN 2.066 nan 8.150 nan 0.000 0.497 562 G N 0.408 109.212 108.800 0.006 0.000 2.576 562 G HA2 0.083 4.040 3.960 -0.005 0.000 0.686 562 G HA3 0.083 4.040 3.960 -0.005 0.000 0.686 562 G C -0.241 174.663 174.900 0.007 0.000 1.242 562 G CA 0.112 45.215 45.100 0.005 0.000 0.819 562 G HN 0.600 nan 8.290 nan 0.000 0.655 563 D N 0.266 120.669 120.400 0.005 0.000 2.104 563 D HA -0.052 4.585 4.640 -0.005 0.000 0.194 563 D C 1.381 177.683 176.300 0.004 0.000 0.994 563 D CA 1.626 55.629 54.000 0.005 0.000 0.830 563 D CB 0.117 40.919 40.800 0.004 0.000 0.959 563 D HN 0.457 nan 8.370 nan 0.000 0.452 564 D N 0.286 120.688 120.400 0.003 0.000 2.395 564 D HA 0.268 4.906 4.640 -0.005 0.000 0.226 564 D C 0.202 176.502 176.300 0.001 0.000 1.146 564 D CA -0.088 53.913 54.000 0.001 0.000 0.830 564 D CB -0.027 40.773 40.800 -0.000 0.000 0.958 564 D HN 0.043 nan 8.370 nan 0.000 0.501 565 A N 0.384 123.207 122.820 0.005 0.000 2.406 565 A HA 0.108 4.426 4.320 -0.005 0.000 0.243 565 A C 0.852 178.438 177.584 0.004 0.000 1.082 565 A CA -0.146 51.895 52.037 0.006 0.000 0.786 565 A CB 0.582 19.590 19.000 0.013 0.000 1.029 565 A HN 0.078 nan 8.150 nan 0.000 0.495 566 Q N -0.652 119.150 119.800 0.003 0.000 2.382 566 Q HA 0.477 4.814 4.340 -0.005 0.000 0.229 566 Q C -0.089 175.903 176.000 -0.012 0.000 1.006 566 Q CA 0.139 55.938 55.803 -0.006 0.000 0.916 566 Q CB 1.240 29.975 28.738 -0.004 0.000 1.235 566 Q HN 0.835 nan 8.270 nan 0.000 0.512 567 A N 0.405 123.201 122.820 -0.040 0.000 2.365 567 A HA 0.739 5.056 4.320 -0.005 0.000 0.318 567 A C -1.235 176.253 177.584 -0.160 0.000 1.091 567 A CA -0.516 51.473 52.037 -0.080 0.000 0.763 567 A CB 1.561 20.529 19.000 -0.054 0.000 1.248 567 A HN 0.658 nan 8.150 nan 0.000 0.442 568 A N 1.127 123.753 122.820 -0.324 0.000 2.303 568 A HA 0.779 5.096 4.320 -0.005 0.000 0.320 568 A C 0.089 177.331 177.584 -0.570 0.000 1.192 568 A CA 0.139 51.881 52.037 -0.492 0.000 0.821 568 A CB 0.632 19.262 19.000 -0.616 0.000 1.188 568 A HN 2.151 nan 8.150 nan 0.000 0.492 569 A N 1.987 124.495 122.820 -0.519 0.000 2.355 569 A HA 0.824 5.141 4.320 -0.005 0.000 0.324 569 A C -1.414 175.875 177.584 -0.490 0.000 1.117 569 A CA -0.429 51.415 52.037 -0.322 0.000 0.785 569 A CB 0.762 19.763 19.000 0.002 0.000 1.254 569 A HN 0.808 nan 8.150 nan 0.000 0.453 570 Y N 0.543 120.960 120.300 0.195 0.000 2.346 570 Y HA 0.533 5.080 4.550 -0.005 0.000 0.332 570 Y C -0.313 175.886 175.900 0.498 0.000 0.985 570 Y CA -0.827 57.482 58.100 0.347 0.000 1.112 570 Y CB 2.255 40.915 38.460 0.334 0.000 1.170 570 Y HN 0.389 nan 8.280 nan 0.000 0.447 571 V N 3.066 123.316 119.914 0.561 0.000 2.540 571 V HA 0.347 4.465 4.120 -0.005 0.000 0.302 571 V C -0.567 175.531 176.094 0.006 0.000 1.035 571 V CA -0.978 61.501 62.300 0.299 0.000 0.873 571 V CB 1.930 33.863 31.823 0.184 0.000 0.992 571 V HN 0.754 nan 8.190 nan 0.000 0.428 572 E N 3.060 122.985 120.200 -0.458 0.000 2.133 572 E HA 0.743 5.090 4.350 -0.005 0.000 0.274 572 E C -0.748 175.625 176.600 -0.379 0.000 0.930 572 E CA -0.399 55.478 56.400 -0.872 0.000 0.770 572 E CB 1.675 30.492 29.700 -1.471 0.000 1.104 572 E HN 0.863 nan 8.360 nan 0.000 0.403 573 A N 2.792 125.452 122.820 -0.267 0.000 2.515 573 A HA 0.471 4.788 4.320 -0.005 0.000 0.298 573 A C -0.741 176.784 177.584 -0.099 0.000 1.059 573 A CA -0.786 51.170 52.037 -0.135 0.000 0.698 573 A CB 1.624 20.580 19.000 -0.073 0.000 1.289 573 A HN 0.597 nan 8.150 nan 0.000 0.404 574 S N 0.718 116.381 115.700 -0.062 0.000 2.489 574 S HA 0.621 5.088 4.470 -0.005 0.000 0.277 574 S C -0.394 174.200 174.600 -0.009 0.000 1.230 574 S CA -0.491 57.690 58.200 -0.032 0.000 1.053 574 S CB 0.848 64.035 63.200 -0.022 0.000 0.955 574 S HN 0.980 nan 8.310 nan 0.000 0.488 575 V N 3.423 123.341 119.914 0.007 0.000 2.487 575 V HA 0.507 4.624 4.120 -0.005 0.000 0.298 575 V C -0.130 175.992 176.094 0.047 0.000 1.028 575 V CA -0.578 61.743 62.300 0.036 0.000 0.860 575 V CB 1.926 33.773 31.823 0.040 0.000 0.991 575 V HN 1.022 nan 8.190 nan 0.000 0.427 576 T N 4.800 119.388 114.554 0.056 0.000 2.791 576 T HA 0.751 5.098 4.350 -0.005 0.000 0.288 576 T C 0.368 175.097 174.700 0.047 0.000 0.999 576 T CA 0.780 62.903 62.100 0.038 0.000 0.952 576 T CB 0.882 69.758 68.868 0.013 0.000 0.938 576 T HN 1.540 nan 8.240 nan 0.000 0.444 616 K N 1.034 121.443 120.400 0.016 0.000 2.221 616 K HA 0.929 5.246 4.320 -0.005 0.000 0.258 616 K C -0.072 176.532 176.600 0.006 0.000 0.944 616 K CA -0.584 55.713 56.287 0.016 0.000 0.823 616 K CB 1.017 33.530 32.500 0.023 0.000 1.113 616 K HN 0.723 nan 8.250 nan 0.000 0.431 617 T N 2.100 116.656 114.554 0.003 0.000 2.743 617 T HA 0.545 4.892 4.350 -0.005 0.000 0.293 617 T C 0.119 174.812 174.700 -0.013 0.000 0.945 617 T CA -0.213 61.871 62.100 -0.027 0.000 1.030 617 T CB 0.140 68.988 68.868 -0.034 0.000 0.912 617 T HN 0.900 nan 8.240 nan 0.000 0.483 618 V N 0.566 120.453 119.914 -0.045 0.000 3.130 618 V HA 0.766 4.883 4.120 -0.005 0.000 0.310 618 V C -1.515 174.564 176.094 -0.025 0.000 1.158 618 V CA -1.657 60.665 62.300 0.036 0.000 1.029 618 V CB 1.651 33.513 31.823 0.065 0.000 1.057 618 V HN 0.851 nan 8.190 nan 0.000 0.436 619 W N 0.288 121.695 121.300 0.177 0.000 2.449 619 W HA 0.816 5.473 4.660 -0.004 0.000 0.331 619 W C 0.586 177.253 176.519 0.247 0.000 1.119 619 W CA 0.208 57.683 57.345 0.216 0.000 1.240 619 W CB 2.093 31.698 29.460 0.243 0.000 1.251 619 W HN 1.056 nan 8.180 nan 0.000 0.576 620 G N 0.553 109.634 108.800 0.468 0.000 2.519 620 G HA2 0.690 4.647 3.960 -0.005 0.000 0.307 620 G HA3 0.690 4.647 3.960 -0.005 0.000 0.307 620 G C -2.043 173.023 174.900 0.276 0.000 1.266 620 G CA -0.765 44.538 45.100 0.337 0.000 0.970 620 G HN 0.295 nan 8.290 nan 0.000 0.481 621 V N 0.040 120.029 119.914 0.125 0.000 2.588 621 V HA 0.873 4.990 4.120 -0.005 0.000 0.304 621 V C 0.425 176.477 176.094 -0.071 0.000 1.042 621 V CA -0.392 61.882 62.300 -0.043 0.000 0.877 621 V CB 1.795 33.552 31.823 -0.110 0.000 0.996 621 V HN 1.135 nan 8.190 nan 0.000 0.425 622 G N 3.845 112.557 108.800 -0.147 0.000 2.591 622 G HA2 0.816 4.774 3.960 -0.005 0.000 0.306 622 G HA3 0.816 4.774 3.960 -0.005 0.000 0.306 622 G C -1.380 173.434 174.900 -0.143 0.000 1.334 622 G CA -0.543 44.493 45.100 -0.108 0.000 0.981 622 G HN 0.591 nan 8.290 nan 0.000 0.491 623 I N 1.119 121.643 120.570 -0.077 0.000 2.466 623 I HA 0.722 4.890 4.170 -0.005 0.000 0.289 623 I C 0.087 176.179 176.117 -0.042 0.000 1.026 623 I CA -0.684 60.578 61.300 -0.063 0.000 1.078 623 I CB 2.129 40.130 38.000 0.003 0.000 1.249 623 I HN 0.727 nan 8.210 nan 0.000 0.429 624 A N 6.525 129.316 122.820 -0.049 0.000 2.601 624 A HA 0.696 5.013 4.320 -0.005 0.000 0.291 624 A C -2.611 174.954 177.584 -0.031 0.000 1.075 624 A CA -1.058 50.956 52.037 -0.037 0.000 0.671 624 A CB 1.243 20.212 19.000 -0.051 0.000 1.277 624 A HN 0.431 nan 8.150 nan 0.000 0.417 625 P HA -0.041 nan 4.420 nan 0.000 0.220 625 P C 0.679 177.966 177.300 -0.021 0.000 1.148 625 P CA 1.652 64.742 63.100 -0.018 0.000 0.803 625 P CB 0.275 31.967 31.700 -0.014 0.000 0.782 626 S N -1.399 114.283 115.700 -0.030 0.000 2.489 626 S HA 0.302 4.769 4.470 -0.005 0.000 0.291 626 S C 1.166 175.746 174.600 -0.033 0.000 1.151 626 S CA -0.709 57.472 58.200 -0.031 0.000 1.082 626 S CB 0.141 63.316 63.200 -0.041 0.000 1.019 626 S HN -0.160 nan 8.310 nan 0.000 0.492 627 I N 3.650 124.209 120.570 -0.019 0.000 2.264 627 I HA -0.181 3.986 4.170 -0.005 0.000 0.248 627 I C 2.351 178.456 176.117 -0.019 0.000 1.111 627 I CA 1.389 62.687 61.300 -0.003 0.000 1.382 627 I CB -0.412 37.601 38.000 0.020 0.000 1.060 627 I HN 0.676 nan 8.210 nan 0.000 0.418 628 T N -0.332 114.194 114.554 -0.046 0.000 2.701 628 T HA -0.150 4.197 4.350 -0.005 0.000 0.263 628 T C 1.891 176.523 174.700 -0.113 0.000 1.040 628 T CA 2.042 64.093 62.100 -0.082 0.000 1.147 628 T CB -0.388 68.425 68.868 -0.091 0.000 0.865 628 T HN 0.345 nan 8.240 nan 0.000 0.426 629 T N 2.045 116.535 114.554 -0.107 0.000 2.821 629 T HA 0.050 4.397 4.350 -0.005 0.000 0.267 629 T C 2.399 177.027 174.700 -0.120 0.000 1.046 629 T CA 0.986 63.007 62.100 -0.132 0.000 1.139 629 T CB -0.508 68.299 68.868 -0.101 0.000 0.871 629 T HN 0.403 nan 8.240 nan 0.000 0.454 630 A N 2.063 124.832 122.820 -0.085 0.000 1.902 630 A HA -0.130 4.187 4.320 -0.005 0.000 0.217 630 A C 2.611 180.153 177.584 -0.069 0.000 1.181 630 A CA 2.213 54.201 52.037 -0.081 0.000 0.623 630 A CB -0.982 17.970 19.000 -0.080 0.000 0.818 630 A HN 0.606 nan 8.150 nan 0.000 0.443 631 S N 0.131 115.803 115.700 -0.045 0.000 2.368 631 S HA -0.111 4.356 4.470 -0.005 0.000 0.225 631 S C 1.918 176.466 174.600 -0.087 0.000 1.030 631 S CA 1.479 59.667 58.200 -0.020 0.000 0.999 631 S CB -0.778 62.397 63.200 -0.041 0.000 0.844 631 S HN 0.467 nan 8.310 nan 0.000 0.459 632 L N 0.762 121.865 121.223 -0.200 0.000 2.056 632 L HA -0.017 4.320 4.340 -0.005 0.000 0.207 632 L C 3.174 179.912 176.870 -0.220 0.000 1.078 632 L CA 1.405 56.017 54.840 -0.380 0.000 0.749 632 L CB -0.584 41.049 42.059 -0.710 0.000 0.901 632 L HN 0.287 nan 8.230 nan 0.000 0.433 633 R N 0.229 120.635 120.500 -0.155 0.000 2.091 633 R HA -0.162 4.175 4.340 -0.005 0.000 0.238 633 R C 2.470 178.753 176.300 -0.028 0.000 1.136 633 R CA 1.402 57.453 56.100 -0.082 0.000 0.959 633 R CB -0.515 29.739 30.300 -0.077 0.000 0.856 633 R HN 0.374 nan 8.270 nan 0.000 0.437 634 A N 0.654 123.464 122.820 -0.017 0.000 1.902 634 A HA -0.119 4.198 4.320 -0.005 0.000 0.217 634 A C 2.362 179.989 177.584 0.072 0.000 1.181 634 A CA 1.424 53.483 52.037 0.037 0.000 0.623 634 A CB -0.522 18.517 19.000 0.065 0.000 0.818 634 A HN 0.119 nan 8.150 nan 0.000 0.443 635 V N -0.300 119.661 119.914 0.078 0.000 2.287 635 V HA -0.249 3.868 4.120 -0.005 0.000 0.248 635 V C 2.571 178.712 176.094 0.077 0.000 1.053 635 V CA 2.060 64.424 62.300 0.108 0.000 1.027 635 V CB -0.900 31.059 31.823 0.227 0.000 0.646 635 V HN 0.375 nan 8.190 nan 0.000 0.447 636 V N -0.316 119.657 119.914 0.099 0.000 2.343 636 V HA -0.272 3.846 4.120 -0.005 0.000 0.247 636 V C 2.681 178.756 176.094 -0.032 0.000 1.051 636 V CA 2.341 64.654 62.300 0.023 0.000 1.036 636 V CB -0.767 31.082 31.823 0.043 0.000 0.654 636 V HN 0.625 nan 8.190 nan 0.000 0.451 637 S N -0.115 115.584 115.700 -0.001 0.000 2.359 637 S HA -0.239 4.229 4.470 -0.005 0.000 0.224 637 S C 2.150 176.759 174.600 0.015 0.000 1.035 637 S CA 1.860 60.062 58.200 0.004 0.000 1.018 637 S CB -0.382 62.848 63.200 0.051 0.000 0.876 637 S HN 0.629 nan 8.310 nan 0.000 0.448 638 A N 0.841 123.689 122.820 0.047 0.000 1.877 638 A HA -0.021 4.296 4.320 -0.005 0.000 0.216 638 A C 2.376 179.946 177.584 -0.024 0.000 1.186 638 A CA 1.880 53.944 52.037 0.045 0.000 0.620 638 A CB -1.211 17.817 19.000 0.046 0.000 0.822 638 A HN 0.460 nan 8.150 nan 0.000 0.443 639 V N 1.154 121.019 119.914 -0.083 0.000 2.282 639 V HA -0.316 3.802 4.120 -0.005 0.000 0.249 639 V C 2.335 178.341 176.094 -0.147 0.000 1.057 639 V CA 2.303 64.499 62.300 -0.175 0.000 1.032 639 V CB -1.025 30.549 31.823 -0.415 0.000 0.645 639 V HN 0.570 nan 8.190 nan 0.000 0.447 640 N N -0.041 118.576 118.700 -0.138 0.000 2.166 640 N HA -0.128 4.609 4.740 -0.005 0.000 0.186 640 N C 1.949 177.411 175.510 -0.080 0.000 1.019 640 N CA 1.217 54.203 53.050 -0.105 0.000 0.856 640 N CB -0.373 38.053 38.487 -0.102 0.000 0.993 640 N HN 0.479 nan 8.380 nan 0.000 0.426 641 R N 0.650 121.101 120.500 -0.081 0.000 2.096 641 R HA 0.036 4.374 4.340 -0.005 0.000 0.235 641 R C 1.975 178.252 176.300 -0.038 0.000 1.127 641 R CA 1.140 57.190 56.100 -0.084 0.000 0.968 641 R CB -0.300 29.948 30.300 -0.087 0.000 0.861 641 R HN 0.176 nan 8.270 nan 0.000 0.440 642 A N 0.763 123.574 122.820 -0.015 0.000 2.121 642 A HA 0.105 4.422 4.320 -0.005 0.000 0.218 642 A C 1.061 178.658 177.584 0.022 0.000 1.154 642 A CA 1.317 53.361 52.037 0.011 0.000 0.679 642 A CB -0.077 18.937 19.000 0.024 0.000 0.795 642 A HN 0.369 nan 8.150 nan 0.000 0.458 643 A N 0.000 122.830 122.820 0.016 0.000 2.254 643 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 643 A CA 0.000 52.059 52.037 0.036 0.000 0.836 643 A CB 0.000 19.051 19.000 0.085 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486