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 3c68_1_B DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYMKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTMG DATA SEQUENCE GFPGVALLTE EYINFMASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEMTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ MQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA MAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVME DATA SEQUENCE VYNVTQDKTW VAEMYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEMLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYMYSDN HYLAEMATIL GKPEEAKRYR QLAQQLADYI NTcMFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE MLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGMERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYM DATA SEQUENCE LYNDFFRK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.661 177.584 0.129 0.000 1.274 2 A CA 0.000 52.176 52.037 0.232 0.000 0.836 2 A CB 0.000 19.113 19.000 0.187 0.000 0.831 3 D N 1.299 121.722 120.400 0.039 0.000 2.350 3 D HA -0.066 4.572 4.640 -0.003 0.000 0.216 3 D C 0.747 176.957 176.300 -0.151 0.000 0.968 3 D CA 0.667 54.643 54.000 -0.040 0.000 0.894 3 D CB -0.077 40.702 40.800 -0.036 0.000 0.909 3 D HN 0.471 nan 8.370 nan 0.000 0.520 4 N N 0.047 118.596 118.700 -0.252 0.000 2.461 4 N HA -0.080 4.658 4.740 -0.003 0.000 0.188 4 N C -0.306 174.757 175.510 -0.745 0.000 1.134 4 N CA 0.314 53.053 53.050 -0.518 0.000 0.878 4 N CB 0.250 38.326 38.487 -0.686 0.000 0.972 4 N HN 0.291 nan 8.380 nan 0.000 0.456 5 Y N 0.849 121.140 120.300 -0.016 0.000 2.658 5 Y HA 0.346 4.895 4.550 -0.003 0.000 0.362 5 Y C -0.050 175.835 175.900 -0.025 0.000 1.017 5 Y CA -0.748 57.346 58.100 -0.009 0.000 1.134 5 Y CB 0.302 38.772 38.460 0.016 0.000 1.144 5 Y HN -0.370 nan 8.280 nan 0.000 0.655 6 K N 1.856 122.263 120.400 0.013 0.000 2.205 6 K HA 0.190 4.508 4.320 -0.003 0.000 0.279 6 K C 0.117 176.748 176.600 0.051 0.000 1.027 6 K CA -0.484 55.796 56.287 -0.012 0.000 0.932 6 K CB 0.479 32.856 32.500 -0.206 0.000 1.032 6 K HN 0.467 nan 8.250 nan 0.000 0.466 7 N N 1.071 119.825 118.700 0.091 0.000 2.714 7 N HA -0.177 4.561 4.740 -0.003 0.000 0.252 7 N C 0.708 176.268 175.510 0.083 0.000 1.014 7 N CA 0.395 53.499 53.050 0.091 0.000 0.735 7 N CB -1.541 37.000 38.487 0.090 0.000 0.924 7 N HN 0.316 nan 8.380 nan 0.000 0.540 8 V N -0.523 119.445 119.914 0.089 0.000 2.392 8 V HA -0.100 4.018 4.120 -0.003 0.000 0.249 8 V C 1.392 177.535 176.094 0.081 0.000 1.059 8 V CA 1.548 63.902 62.300 0.090 0.000 1.051 8 V CB -0.044 31.830 31.823 0.085 0.000 0.658 8 V HN 0.395 nan 8.190 nan 0.000 0.455 9 I N 0.192 120.813 120.570 0.084 0.000 2.509 9 I HA 0.299 4.467 4.170 -0.003 0.000 0.293 9 I C -0.142 176.036 176.117 0.102 0.000 1.020 9 I CA -0.580 60.776 61.300 0.093 0.000 1.088 9 I CB 1.636 39.700 38.000 0.108 0.000 1.267 9 I HN 0.015 nan 8.210 nan 0.000 0.430 10 N N 5.762 124.524 118.700 0.104 0.000 2.416 10 N HA 0.086 4.824 4.740 -0.003 0.000 0.271 10 N C 0.144 175.743 175.510 0.148 0.000 1.245 10 N CA 0.434 53.553 53.050 0.115 0.000 0.940 10 N CB 0.491 39.043 38.487 0.109 0.000 1.175 10 N HN 0.519 nan 8.380 nan 0.000 0.483 11 R N 1.262 121.848 120.500 0.143 0.000 2.552 11 R HA 0.080 4.418 4.340 -0.003 0.000 0.314 11 R C 0.262 176.652 176.300 0.150 0.000 1.041 11 R CA -0.213 55.989 56.100 0.170 0.000 1.076 11 R CB 0.176 30.571 30.300 0.158 0.000 1.290 11 R HN 0.569 nan 8.270 nan 0.000 0.563 12 T N -1.816 112.816 114.554 0.129 0.000 2.899 12 T HA 0.713 5.061 4.350 -0.003 0.000 0.284 12 T C 0.523 175.234 174.700 0.018 0.000 1.004 12 T CA -0.383 61.757 62.100 0.067 0.000 1.043 12 T CB 2.107 71.010 68.868 0.059 0.000 1.013 12 T HN 0.239 nan 8.240 nan 0.000 0.518 13 G N -0.867 107.826 108.800 -0.177 0.000 2.368 13 G HA2 0.578 4.536 3.960 -0.003 0.000 0.303 13 G HA3 0.578 4.536 3.960 -0.003 0.000 0.303 13 G C -1.185 173.312 174.900 -0.672 0.000 1.590 13 G CA -0.419 44.306 45.100 -0.625 0.000 0.938 13 G HN 1.320 nan 8.290 nan 0.000 0.675 14 A N 1.617 123.970 122.820 -0.779 0.000 3.082 14 A HA 0.793 5.111 4.320 -0.003 0.000 0.328 14 A C -2.537 174.746 177.584 -0.503 0.000 1.089 14 A CA -1.252 50.494 52.037 -0.486 0.000 0.802 14 A CB 0.861 19.715 19.000 -0.244 0.000 1.138 14 A HN 0.424 nan 8.150 nan 0.000 0.474 15 P HA 0.077 nan 4.420 nan 0.000 0.265 15 P C 0.221 177.386 177.300 -0.224 0.000 1.187 15 P CA 0.462 63.288 63.100 -0.456 0.000 0.766 15 P CB 0.695 31.787 31.700 -1.014 0.000 0.820 16 Q N 0.918 120.666 119.800 -0.087 0.000 2.164 16 Q HA 0.194 4.532 4.340 -0.003 0.000 0.226 16 Q C -0.538 175.119 176.000 -0.571 0.000 0.813 16 Q CA 0.340 55.958 55.803 -0.308 0.000 0.978 16 Q CB 0.538 29.055 28.738 -0.369 0.000 1.149 16 Q HN 0.567 nan 8.270 nan 0.000 0.489 17 Y N -0.888 119.422 120.300 0.017 0.000 2.524 17 Y HA 0.297 4.845 4.550 -0.003 0.000 0.347 17 Y C 1.110 177.072 175.900 0.103 0.000 1.005 17 Y CA -0.717 57.403 58.100 0.033 0.000 1.025 17 Y CB 1.540 39.993 38.460 -0.010 0.000 1.275 17 Y HN -0.185 nan 8.280 nan 0.000 0.460 18 M N 1.020 120.756 119.600 0.225 0.000 2.117 18 M HA -0.076 4.402 4.480 -0.003 0.000 0.262 18 M C -0.142 176.250 176.300 0.154 0.000 1.065 18 M CA 2.003 57.424 55.300 0.202 0.000 1.114 18 M CB 0.072 32.755 32.600 0.140 0.000 1.361 18 M HN 0.549 nan 8.290 nan 0.000 0.408 19 K N 1.461 121.840 120.400 -0.035 0.000 2.360 19 K HA 0.110 4.428 4.320 -0.003 0.000 0.235 19 K C -1.074 175.283 176.600 -0.405 0.000 1.077 19 K CA -0.230 55.744 56.287 -0.520 0.000 1.035 19 K CB 0.385 32.294 32.500 -0.984 0.000 1.623 19 K HN 0.019 nan 8.250 nan 0.000 0.462 20 D N 2.651 123.098 120.400 0.078 0.000 2.639 20 D HA 0.040 4.678 4.640 -0.003 0.000 0.233 20 D C -0.557 175.845 176.300 0.170 0.000 1.161 20 D CA -0.289 53.810 54.000 0.165 0.000 1.003 20 D CB 0.130 41.172 40.800 0.404 0.000 1.034 20 D HN 0.227 nan 8.370 nan 0.000 0.514 21 Y N 1.155 121.417 120.300 -0.063 0.000 2.300 21 Y HA 0.161 4.709 4.550 -0.003 0.000 0.328 21 Y C 1.218 176.982 175.900 -0.227 0.000 1.270 21 Y CA -1.326 56.695 58.100 -0.131 0.000 1.352 21 Y CB 0.367 38.733 38.460 -0.156 0.000 1.286 21 Y HN 0.259 nan 8.280 nan 0.000 0.536 22 D N -1.098 119.268 120.400 -0.057 0.000 2.511 22 D HA 0.053 4.691 4.640 -0.003 0.000 0.276 22 D C 0.313 176.491 176.300 -0.203 0.000 1.220 22 D CA -0.340 53.532 54.000 -0.212 0.000 1.077 22 D CB -0.032 40.696 40.800 -0.119 0.000 1.126 22 D HN 0.407 nan 8.370 nan 0.000 0.583 23 Y N -0.820 119.449 120.300 -0.051 0.000 2.483 23 Y HA -0.019 4.530 4.550 -0.002 0.000 0.291 23 Y C 0.938 176.778 175.900 -0.099 0.000 1.143 23 Y CA 0.959 59.023 58.100 -0.060 0.000 1.289 23 Y CB -0.158 38.273 38.460 -0.048 0.000 0.983 23 Y HN 0.334 nan 8.280 nan 0.000 0.556 24 D N -0.486 119.895 120.400 -0.031 0.000 2.559 24 D HA 0.039 4.677 4.640 -0.003 0.000 0.234 24 D C -0.262 175.665 176.300 -0.622 0.000 1.226 24 D CA 0.285 54.166 54.000 -0.198 0.000 0.830 24 D CB 0.163 40.930 40.800 -0.055 0.000 1.028 24 D HN 0.229 nan 8.370 nan 0.000 0.492 25 D N 0.729 120.805 120.400 -0.540 0.000 3.090 25 D HA -0.146 4.492 4.640 -0.003 0.000 0.215 25 D C 0.097 175.498 176.300 -1.497 0.000 1.140 25 D CA 0.879 54.299 54.000 -0.967 0.000 0.937 25 D CB -1.314 39.008 40.800 -0.797 0.000 1.108 25 D HN 0.504 nan 8.370 nan 0.000 0.420 26 H N 0.473 119.189 119.070 -0.590 0.000 2.483 26 H HA 0.284 4.838 4.556 -0.003 0.000 0.338 26 H C 1.155 176.384 175.328 -0.166 0.000 1.152 26 H CA -0.212 55.580 56.048 -0.426 0.000 1.264 26 H CB 0.766 30.389 29.762 -0.231 0.000 1.510 26 H HN -0.064 nan 8.280 nan 0.000 0.530 27 Q N 1.985 121.860 119.800 0.125 0.000 2.274 27 Q HA -0.022 4.316 4.340 -0.003 0.000 0.280 27 Q C 1.220 177.320 176.000 0.166 0.000 1.047 27 Q CA 0.103 56.083 55.803 0.294 0.000 0.907 27 Q CB 0.838 29.741 28.738 0.274 0.000 1.171 27 Q HN 0.685 nan 8.270 nan 0.000 0.381 28 R N 1.124 121.629 120.500 0.007 0.000 2.328 28 R HA 0.124 4.462 4.340 -0.003 0.000 0.200 28 R C -0.415 175.609 176.300 -0.461 0.000 0.983 28 R CA 0.376 56.302 56.100 -0.290 0.000 1.062 28 R CB 0.140 30.144 30.300 -0.493 0.000 0.956 28 R HN 0.157 nan 8.270 nan 0.000 0.479 29 F N 0.368 120.463 119.950 0.242 0.000 2.598 29 F HA 0.406 4.931 4.527 -0.003 0.000 0.327 29 F C 0.086 176.042 175.800 0.260 0.000 1.057 29 F CA -1.574 56.558 58.000 0.220 0.000 0.957 29 F CB 1.327 40.449 39.000 0.203 0.000 1.278 29 F HN -0.115 nan 8.300 nan 0.000 0.484 30 N N 2.166 121.120 118.700 0.423 0.000 2.898 30 N HA 0.298 5.036 4.740 -0.003 0.000 0.245 30 N C -2.939 172.773 175.510 0.336 0.000 1.185 30 N CA -1.321 51.928 53.050 0.332 0.000 0.879 30 N CB 1.005 39.637 38.487 0.242 0.000 1.157 30 N HN 0.110 nan 8.380 nan 0.000 0.503 31 P HA 0.085 nan 4.420 nan 0.000 0.272 31 P C -0.363 177.050 177.300 0.187 0.000 1.223 31 P CA -0.251 62.976 63.100 0.211 0.000 0.784 31 P CB 0.430 32.155 31.700 0.042 0.000 0.923 32 F N 3.720 123.635 119.950 -0.058 0.000 2.421 32 F HA 0.493 5.018 4.527 -0.003 0.000 0.358 32 F C -1.220 174.464 175.800 -0.193 0.000 1.115 32 F CA -0.658 57.344 58.000 0.004 0.000 1.160 32 F CB -0.377 38.671 39.000 0.081 0.000 1.123 32 F HN 0.113 nan 8.300 nan 0.000 0.508 33 F N 4.497 124.106 119.950 -0.568 0.000 2.546 33 F HA 0.481 5.006 4.527 -0.003 0.000 0.320 33 F C -0.361 174.696 175.800 -1.240 0.000 1.076 33 F CA -0.733 56.684 58.000 -0.971 0.000 0.928 33 F CB 1.906 40.570 39.000 -0.560 0.000 1.189 33 F HN 0.414 nan 8.300 nan 0.000 0.465 34 D N 0.711 120.143 120.400 -1.613 0.000 2.622 34 D HA 0.433 5.071 4.640 -0.003 0.000 0.255 34 D C -0.230 175.516 176.300 -0.924 0.000 1.246 34 D CA -0.381 53.066 54.000 -0.922 0.000 0.795 34 D CB 1.646 42.172 40.800 -0.456 0.000 1.369 34 D HN 0.344 nan 8.370 nan 0.000 0.425 35 L N 1.807 122.561 121.223 -0.782 0.000 4.429 35 L HA -0.118 4.220 4.340 -0.003 0.000 0.422 35 L C 1.179 177.328 176.870 -1.202 0.000 1.149 35 L CA 2.073 56.407 54.840 -0.844 0.000 0.972 35 L CB -1.552 40.432 42.059 -0.124 0.000 2.059 35 L HN 1.054 nan 8.230 nan 0.000 0.870 36 G N -2.313 105.454 108.800 -1.722 0.000 2.143 36 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.248 36 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.248 36 G C 0.702 175.301 174.900 -0.503 0.000 0.991 36 G CA 0.682 45.041 45.100 -1.235 0.000 0.689 36 G HN 1.684 nan 8.290 nan 0.000 0.522 37 A N -1.150 121.414 122.820 -0.427 0.000 2.366 37 A HA 0.533 4.852 4.320 -0.003 0.000 0.250 37 A C 0.506 178.089 177.584 -0.002 0.000 1.099 37 A CA 0.688 52.711 52.037 -0.023 0.000 0.794 37 A CB 0.319 19.322 19.000 0.004 0.000 1.056 37 A HN 0.798 nan 8.150 nan 0.000 0.499 38 W N 0.786 122.214 121.300 0.214 0.000 3.015 38 W HA 0.273 4.931 4.660 -0.003 0.000 0.429 38 W C 0.506 177.345 176.519 0.534 0.000 0.976 38 W CA 0.285 57.816 57.345 0.310 0.000 2.086 38 W CB 0.063 29.681 29.460 0.264 0.000 1.125 38 W HN 0.797 nan 8.180 nan 0.000 0.721 39 H N -2.026 117.358 119.070 0.523 0.000 3.046 39 H HA 0.804 5.358 4.556 -0.003 0.000 0.361 39 H C -0.588 174.696 175.328 -0.074 0.000 1.235 39 H CA -0.930 55.298 56.048 0.299 0.000 1.146 39 H CB 1.421 31.352 29.762 0.282 0.000 1.859 39 H HN -0.056 nan 8.280 nan 0.000 0.548 40 G N 0.758 109.163 108.800 -0.659 0.000 2.680 40 G HA2 0.473 4.431 3.960 -0.003 0.000 0.290 40 G HA3 0.473 4.431 3.960 -0.003 0.000 0.290 40 G C -1.612 172.810 174.900 -0.796 0.000 1.355 40 G CA -0.663 43.638 45.100 -1.331 0.000 0.903 40 G HN 0.710 nan 8.290 nan 0.000 0.474 41 H N -0.602 118.378 119.070 -0.151 0.000 2.797 41 H HA 0.588 5.142 4.556 -0.003 0.000 0.372 41 H C -0.658 174.745 175.328 0.125 0.000 1.168 41 H CA -0.376 55.704 56.048 0.053 0.000 1.163 41 H CB 2.322 32.139 29.762 0.091 0.000 1.778 41 H HN 0.225 nan 8.280 nan 0.000 0.551 42 L N 1.254 122.647 121.223 0.282 0.000 2.286 42 L HA 0.434 4.772 4.340 -0.003 0.000 0.265 42 L C -0.122 176.906 176.870 0.263 0.000 1.012 42 L CA -0.965 54.001 54.840 0.210 0.000 0.818 42 L CB 1.767 43.865 42.059 0.064 0.000 1.337 42 L HN 0.188 nan 8.230 nan 0.000 0.438 43 L N 2.285 123.620 121.223 0.186 0.000 2.379 43 L HA 0.423 4.761 4.340 -0.003 0.000 0.269 43 L C -2.111 174.771 176.870 0.020 0.000 1.084 43 L CA -1.757 53.184 54.840 0.168 0.000 0.802 43 L CB 1.391 43.523 42.059 0.123 0.000 1.175 43 L HN 0.293 nan 8.230 nan 0.000 0.448 44 P HA -0.006 nan 4.420 nan 0.000 0.268 44 P C -0.832 176.425 177.300 -0.073 0.000 1.204 44 P CA -0.113 62.917 63.100 -0.117 0.000 0.768 44 P CB 0.740 32.322 31.700 -0.196 0.000 0.842 45 D N 1.761 122.118 120.400 -0.073 0.000 2.363 45 D HA 0.221 4.859 4.640 -0.003 0.000 0.214 45 D C 0.756 177.034 176.300 -0.037 0.000 1.093 45 D CA -0.300 53.675 54.000 -0.042 0.000 0.837 45 D CB 0.381 41.154 40.800 -0.044 0.000 0.948 45 D HN 0.535 nan 8.370 nan 0.000 0.507 46 G N 0.338 109.107 108.800 -0.052 0.000 2.333 46 G HA2 0.129 4.087 3.960 -0.003 0.000 0.288 46 G HA3 0.129 4.087 3.960 -0.003 0.000 0.288 46 G C -2.547 172.322 174.900 -0.052 0.000 1.286 46 G CA -0.642 44.432 45.100 -0.043 0.000 0.865 46 G HN -0.231 nan 8.290 nan 0.000 0.506 47 P HA -0.009 nan 4.420 nan 0.000 0.220 47 P C 1.350 178.619 177.300 -0.051 0.000 1.148 47 P CA 1.297 64.371 63.100 -0.043 0.000 0.803 47 P CB -0.020 31.657 31.700 -0.038 0.000 0.782 48 N N -1.581 117.087 118.700 -0.053 0.000 2.331 48 N HA -0.061 4.677 4.740 -0.003 0.000 0.180 48 N C 1.126 176.595 175.510 -0.068 0.000 1.019 48 N CA 1.465 54.481 53.050 -0.056 0.000 0.881 48 N CB -0.130 38.325 38.487 -0.053 0.000 0.972 48 N HN 0.273 nan 8.380 nan 0.000 0.435 49 T N -2.264 112.242 114.554 -0.080 0.000 3.010 49 T HA 0.195 4.543 4.350 -0.003 0.000 0.257 49 T C 0.627 175.253 174.700 -0.124 0.000 1.020 49 T CA -0.397 61.645 62.100 -0.097 0.000 0.938 49 T CB 0.142 68.944 68.868 -0.109 0.000 1.049 49 T HN 0.021 nan 8.240 nan 0.000 0.522 50 M N 2.229 121.761 119.600 -0.114 0.000 2.261 50 M HA 0.339 4.817 4.480 -0.003 0.000 0.350 50 M C 1.330 177.537 176.300 -0.155 0.000 1.343 50 M CA 2.101 57.318 55.300 -0.139 0.000 1.003 50 M CB -0.159 32.389 32.600 -0.088 0.000 1.848 50 M HN 0.596 nan 8.290 nan 0.000 0.456 51 G N 2.624 111.285 108.800 -0.233 0.000 2.195 51 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.224 51 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.224 51 G C -0.053 174.727 174.900 -0.200 0.000 0.990 51 G CA -0.187 44.783 45.100 -0.217 0.000 0.639 51 G HN 1.307 nan 8.290 nan 0.000 0.514 52 G N -1.221 107.413 108.800 -0.277 0.000 2.682 52 G HA2 0.642 4.600 3.960 -0.003 0.000 0.290 52 G HA3 0.642 4.600 3.960 -0.003 0.000 0.290 52 G C -1.371 173.264 174.900 -0.443 0.000 1.425 52 G CA -0.924 44.040 45.100 -0.227 0.000 0.807 52 G HN 0.451 nan 8.290 nan 0.000 0.482 53 F N 2.471 122.439 119.950 0.030 0.000 2.311 53 F HA 0.382 4.907 4.527 -0.003 0.000 0.371 53 F C -1.549 174.277 175.800 0.043 0.000 1.083 53 F CA -1.819 56.192 58.000 0.018 0.000 1.113 53 F CB 1.803 40.799 39.000 -0.007 0.000 1.349 53 F HN 0.129 nan 8.300 nan 0.000 0.470 54 P HA 0.177 nan 4.420 nan 0.000 0.274 54 P C 0.399 177.712 177.300 0.021 0.000 1.260 54 P CA 0.031 63.149 63.100 0.030 0.000 0.793 54 P CB 0.941 32.594 31.700 -0.079 0.000 1.048 55 G N -0.669 108.092 108.800 -0.064 0.000 2.324 55 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.292 55 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.292 55 G C -0.071 174.918 174.900 0.149 0.000 1.079 55 G CA -0.275 44.771 45.100 -0.089 0.000 1.026 55 G HN 0.473 nan 8.290 nan 0.000 0.506 56 V N 0.375 120.326 119.914 0.063 0.000 2.475 56 V HA 0.369 4.487 4.120 -0.003 0.000 0.292 56 V C 1.131 177.234 176.094 0.015 0.000 1.003 56 V CA 0.821 63.080 62.300 -0.068 0.000 1.120 56 V CB 0.614 32.202 31.823 -0.392 0.000 0.937 56 V HN 1.366 nan 8.190 nan 0.000 0.476 57 A N 7.568 130.372 122.820 -0.027 0.000 2.260 57 A HA 0.771 5.089 4.320 -0.003 0.000 0.314 57 A C -0.566 176.966 177.584 -0.087 0.000 1.257 57 A CA -0.561 51.428 52.037 -0.079 0.000 0.871 57 A CB 0.430 19.394 19.000 -0.060 0.000 1.166 57 A HN 0.797 nan 8.150 nan 0.000 0.522 58 L N 3.161 124.278 121.223 -0.176 0.000 2.307 58 L HA 0.412 4.750 4.340 -0.003 0.000 0.284 58 L C -0.555 176.292 176.870 -0.038 0.000 1.023 58 L CA -0.437 54.265 54.840 -0.230 0.000 0.810 58 L CB 1.550 43.268 42.059 -0.570 0.000 1.231 58 L HN 0.573 nan 8.230 nan 0.000 0.423 59 L N 3.315 124.654 121.223 0.193 0.000 2.288 59 L HA 0.222 4.560 4.340 -0.003 0.000 0.283 59 L C 0.501 177.565 176.870 0.322 0.000 1.072 59 L CA -0.379 54.593 54.840 0.219 0.000 0.862 59 L CB 0.678 42.844 42.059 0.179 0.000 1.245 59 L HN 0.656 nan 8.230 nan 0.000 0.432 60 T N -0.948 113.673 114.554 0.111 0.000 3.688 60 T HA 0.242 4.590 4.350 -0.003 0.000 0.307 60 T C 0.701 175.340 174.700 -0.102 0.000 1.382 60 T CA -0.462 61.633 62.100 -0.009 0.000 1.136 60 T CB 0.222 69.030 68.868 -0.099 0.000 1.207 60 T HN 0.759 nan 8.240 nan 0.000 0.854 61 E N 1.401 121.460 120.200 -0.234 0.000 4.665 61 E HA -0.332 4.016 4.350 -0.003 0.000 0.181 61 E C 0.826 177.457 176.600 0.052 0.000 1.307 61 E CA 2.304 58.440 56.400 -0.440 0.000 2.299 61 E CB -1.035 28.154 29.700 -0.851 0.000 1.862 61 E HN 0.830 nan 8.360 nan 0.000 0.373 62 E N -1.348 118.779 120.200 -0.123 0.000 2.715 62 E HA 0.215 4.563 4.350 -0.003 0.000 0.224 62 E C -0.895 175.243 176.600 -0.769 0.000 0.962 62 E CA -0.052 56.133 56.400 -0.360 0.000 1.145 62 E CB 0.872 30.286 29.700 -0.477 0.000 1.083 62 E HN 0.178 nan 8.360 nan 0.000 0.506 63 Y N -0.200 120.115 120.300 0.026 0.000 2.588 63 Y HA 0.415 4.963 4.550 -0.003 0.000 0.343 63 Y C -0.684 175.175 175.900 -0.068 0.000 1.065 63 Y CA -1.445 56.634 58.100 -0.035 0.000 1.038 63 Y CB 1.202 39.621 38.460 -0.069 0.000 1.297 63 Y HN -0.113 nan 8.280 nan 0.000 0.467 64 I N 3.064 123.674 120.570 0.068 0.000 2.336 64 I HA 0.481 4.649 4.170 -0.003 0.000 0.292 64 I C -1.246 174.813 176.117 -0.097 0.000 0.991 64 I CA -0.645 60.624 61.300 -0.051 0.000 1.227 64 I CB 0.193 38.131 38.000 -0.104 0.000 1.366 64 I HN 0.556 nan 8.210 nan 0.000 0.466 65 N N 6.669 125.268 118.700 -0.167 0.000 2.310 65 N HA 0.350 5.088 4.740 -0.003 0.000 0.292 65 N C -1.319 174.062 175.510 -0.215 0.000 1.049 65 N CA -0.324 52.625 53.050 -0.167 0.000 0.849 65 N CB 1.548 39.966 38.487 -0.116 0.000 1.532 65 N HN 0.304 nan 8.380 nan 0.000 0.479 66 F N 1.499 121.460 119.950 0.018 0.000 2.429 66 F HA 0.243 4.768 4.527 -0.003 0.000 0.348 66 F C 1.877 177.642 175.800 -0.058 0.000 1.109 66 F CA -0.231 57.762 58.000 -0.012 0.000 1.232 66 F CB 1.065 40.088 39.000 0.039 0.000 1.157 66 F HN 0.449 nan 8.300 nan 0.000 0.564 67 M N 2.074 121.715 119.600 0.069 0.000 2.657 67 M HA 0.458 4.937 4.480 -0.003 0.000 0.262 67 M C -0.099 176.163 176.300 -0.064 0.000 1.213 67 M CA 0.741 56.000 55.300 -0.067 0.000 1.182 67 M CB 0.479 32.897 32.600 -0.303 0.000 1.303 67 M HN 0.616 nan 8.290 nan 0.000 0.501 68 A N -1.216 121.567 122.820 -0.061 0.000 2.601 68 A HA 0.515 4.833 4.320 -0.003 0.000 0.291 68 A C -0.125 177.445 177.584 -0.023 0.000 1.075 68 A CA -0.352 51.673 52.037 -0.021 0.000 0.671 68 A CB 0.886 19.895 19.000 0.015 0.000 1.277 68 A HN 0.164 nan 8.150 nan 0.000 0.417 69 S N -0.006 115.679 115.700 -0.025 0.000 2.289 69 S HA 0.137 4.605 4.470 -0.003 0.000 0.193 69 S C 0.665 175.264 174.600 -0.002 0.000 1.002 69 S CA 0.527 58.677 58.200 -0.085 0.000 0.951 69 S CB -0.401 62.732 63.200 -0.112 0.000 0.920 69 S HN 0.733 nan 8.310 nan 0.000 0.502 70 N N 0.235 118.947 118.700 0.020 0.000 2.458 70 N HA 0.380 5.119 4.740 -0.003 0.000 0.270 70 N C -1.559 174.064 175.510 0.188 0.000 1.102 70 N CA 0.063 53.144 53.050 0.051 0.000 0.967 70 N CB 0.604 39.079 38.487 -0.019 0.000 1.078 70 N HN 0.264 nan 8.380 nan 0.000 0.471 71 F N 2.024 122.003 119.950 0.048 0.000 2.787 71 F HA 0.147 4.672 4.527 -0.003 0.000 0.340 71 F C -0.568 175.390 175.800 0.262 0.000 1.232 71 F CA -0.617 57.483 58.000 0.166 0.000 1.051 71 F CB 0.935 40.031 39.000 0.160 0.000 1.330 71 F HN 0.485 nan 8.300 nan 0.000 0.522 72 D N 2.887 123.347 120.400 0.098 0.000 2.873 72 D HA -0.233 4.405 4.640 -0.003 0.000 0.228 72 D C -0.116 176.407 176.300 0.372 0.000 1.122 72 D CA 0.752 54.966 54.000 0.356 0.000 0.758 72 D CB -0.392 40.659 40.800 0.419 0.000 1.094 72 D HN 0.714 nan 8.370 nan 0.000 0.434 73 R N 0.473 121.085 120.500 0.187 0.000 2.340 73 R HA 0.441 4.779 4.340 -0.003 0.000 0.300 73 R C -0.444 175.920 176.300 0.106 0.000 1.069 73 R CA -0.603 55.567 56.100 0.116 0.000 0.984 73 R CB 0.531 30.832 30.300 0.002 0.000 1.003 73 R HN 0.237 nan 8.270 nan 0.000 0.459 74 L N 4.167 125.411 121.223 0.035 0.000 2.312 74 L HA 0.410 4.749 4.340 -0.003 0.000 0.281 74 L C -0.809 175.968 176.870 -0.156 0.000 1.070 74 L CA 0.265 54.979 54.840 -0.209 0.000 0.805 74 L CB 1.760 43.690 42.059 -0.214 0.000 1.174 74 L HN 0.846 nan 8.230 nan 0.000 0.434 75 T N 2.235 116.694 114.554 -0.157 0.000 2.886 75 T HA 0.723 5.071 4.350 -0.003 0.000 0.292 75 T C -0.746 173.986 174.700 0.054 0.000 1.012 75 T CA -0.754 61.349 62.100 0.004 0.000 0.982 75 T CB 1.321 70.259 68.868 0.117 0.000 1.018 75 T HN 0.366 nan 8.240 nan 0.000 0.451 76 V N 2.725 122.689 119.914 0.083 0.000 2.483 76 V HA 0.645 4.763 4.120 -0.003 0.000 0.295 76 V C -1.032 175.046 176.094 -0.026 0.000 1.035 76 V CA -0.824 61.534 62.300 0.097 0.000 0.896 76 V CB 1.155 33.082 31.823 0.173 0.000 0.986 76 V HN 0.936 nan 8.190 nan 0.000 0.447 77 W N 2.689 123.924 121.300 -0.109 0.000 2.736 77 W HA 0.724 5.383 4.660 -0.003 0.000 0.335 77 W C -0.416 176.049 176.519 -0.090 0.000 1.059 77 W CA -0.823 56.461 57.345 -0.102 0.000 1.226 77 W CB 1.743 31.151 29.460 -0.086 0.000 1.416 77 W HN 0.567 nan 8.180 nan 0.000 0.505 78 Q N 0.703 120.564 119.800 0.101 0.000 2.327 78 Q HA 0.424 4.762 4.340 -0.003 0.000 0.270 78 Q C -0.464 175.578 176.000 0.069 0.000 1.022 78 Q CA -0.789 55.043 55.803 0.048 0.000 0.773 78 Q CB 1.722 30.445 28.738 -0.025 0.000 1.251 78 Q HN 0.505 nan 8.270 nan 0.000 0.457 79 D N 2.862 123.310 120.400 0.080 0.000 2.692 79 D HA -0.222 4.416 4.640 -0.003 0.000 0.233 79 D C 0.897 177.250 176.300 0.089 0.000 1.172 79 D CA 2.352 56.395 54.000 0.072 0.000 0.636 79 D CB -1.106 39.718 40.800 0.042 0.000 1.028 79 D HN 1.357 nan 8.370 nan 0.000 0.419 80 G N -0.268 108.622 108.800 0.150 0.000 2.199 80 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.254 80 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.254 80 G C 0.341 175.429 174.900 0.313 0.000 0.982 80 G CA 0.525 45.745 45.100 0.200 0.000 0.632 80 G HN 0.729 nan 8.290 nan 0.000 0.529 81 K N 0.849 121.363 120.400 0.189 0.000 2.206 81 K HA 0.529 4.847 4.320 -0.003 0.000 0.264 81 K C 0.148 176.617 176.600 -0.218 0.000 0.967 81 K CA -0.829 55.464 56.287 0.009 0.000 0.844 81 K CB 0.840 33.305 32.500 -0.059 0.000 1.099 81 K HN 0.124 nan 8.250 nan 0.000 0.441 82 K N 3.431 123.410 120.400 -0.701 0.000 2.368 82 K HA 0.103 4.421 4.320 -0.003 0.000 0.282 82 K C -0.666 175.526 176.600 -0.680 0.000 1.035 82 K CA -0.511 55.070 56.287 -1.177 0.000 0.973 82 K CB 0.850 32.383 32.500 -1.612 0.000 0.957 82 K HN 0.339 nan 8.250 nan 0.000 0.474 83 V N 3.980 123.508 119.914 -0.644 0.000 2.555 83 V HA -0.031 4.087 4.120 -0.003 0.000 0.286 83 V C 0.056 175.654 176.094 -0.827 0.000 1.044 83 V CA -0.169 61.714 62.300 -0.694 0.000 1.026 83 V CB 1.088 32.416 31.823 -0.825 0.000 0.981 83 V HN 0.808 nan 8.190 nan 0.000 0.480 84 D N 3.847 123.853 120.400 -0.657 0.000 2.313 84 D HA 0.447 5.085 4.640 -0.003 0.000 0.239 84 D C -0.784 175.227 176.300 -0.482 0.000 1.142 84 D CA -0.089 53.629 54.000 -0.470 0.000 0.847 84 D CB 0.399 41.028 40.800 -0.284 0.000 1.082 84 D HN 0.225 nan 8.370 nan 0.000 0.480 85 F N 1.299 121.174 119.950 -0.126 0.000 2.470 85 F HA 0.439 4.964 4.527 -0.003 0.000 0.329 85 F C 0.918 176.667 175.800 -0.085 0.000 1.072 85 F CA -0.875 57.064 58.000 -0.102 0.000 0.989 85 F CB 1.753 40.688 39.000 -0.109 0.000 1.193 85 F HN 0.142 nan 8.300 nan 0.000 0.481 86 T N 0.623 115.274 114.554 0.161 0.000 2.859 86 T HA 0.670 5.018 4.350 -0.003 0.000 0.281 86 T C -0.992 173.732 174.700 0.041 0.000 1.005 86 T CA -0.742 61.396 62.100 0.063 0.000 1.025 86 T CB 1.662 70.553 68.868 0.039 0.000 0.977 86 T HN 0.478 nan 8.240 nan 0.000 0.458 87 L N 1.254 122.481 121.223 0.006 0.000 2.325 87 L HA 0.686 5.024 4.340 -0.003 0.000 0.278 87 L C -0.326 176.537 176.870 -0.013 0.000 1.023 87 L CA -0.483 54.341 54.840 -0.027 0.000 0.811 87 L CB 1.441 43.472 42.059 -0.047 0.000 1.249 87 L HN 0.966 nan 8.230 nan 0.000 0.431 88 E N 4.025 124.213 120.200 -0.021 0.000 2.283 88 E HA 0.716 5.065 4.350 -0.003 0.000 0.258 88 E C -1.950 174.652 176.600 0.003 0.000 0.893 88 E CA -0.608 55.809 56.400 0.029 0.000 0.798 88 E CB 1.383 31.119 29.700 0.060 0.000 1.242 88 E HN 0.852 nan 8.360 nan 0.000 0.414 89 A N 3.855 126.692 122.820 0.029 0.000 2.449 89 A HA 0.766 5.084 4.320 -0.003 0.000 0.302 89 A C -1.743 175.890 177.584 0.082 0.000 1.048 89 A CA -0.641 51.371 52.037 -0.041 0.000 0.708 89 A CB 0.772 19.733 19.000 -0.064 0.000 1.274 89 A HN 0.626 nan 8.150 nan 0.000 0.410 90 Y N -0.581 119.738 120.300 0.031 0.000 2.624 90 Y HA 0.763 5.311 4.550 -0.003 0.000 0.334 90 Y C -0.261 175.635 175.900 -0.006 0.000 1.155 90 Y CA -0.762 57.347 58.100 0.015 0.000 1.046 90 Y CB 0.682 39.143 38.460 0.001 0.000 1.316 90 Y HN 0.943 nan 8.280 nan 0.000 0.457 91 S N 1.783 117.601 115.700 0.196 0.000 2.638 91 S HA 0.901 5.369 4.470 -0.003 0.000 0.298 91 S C -0.757 173.902 174.600 0.098 0.000 1.111 91 S CA -0.361 57.852 58.200 0.022 0.000 1.027 91 S CB 1.681 64.855 63.200 -0.044 0.000 1.064 91 S HN 1.112 nan 8.310 nan 0.000 0.525 92 I N -3.373 117.155 120.570 -0.070 0.000 3.095 92 I HA 0.669 4.837 4.170 -0.003 0.000 0.310 92 I C -3.362 172.600 176.117 -0.257 0.000 1.196 92 I CA -2.994 58.280 61.300 -0.043 0.000 0.985 92 I CB 0.721 38.744 38.000 0.039 0.000 1.250 92 I HN 0.297 nan 8.210 nan 0.000 0.446 93 P HA 0.265 nan 4.420 nan 0.000 0.261 93 P C 0.749 177.373 177.300 -1.126 0.000 1.203 93 P CA 1.139 63.949 63.100 -0.484 0.000 0.767 93 P CB 0.325 32.044 31.700 0.032 0.000 0.785 94 G N 2.213 109.951 108.800 -1.770 0.000 2.175 94 G HA2 0.026 3.984 3.960 -0.003 0.000 0.244 94 G HA3 0.026 3.984 3.960 -0.003 0.000 0.244 94 G C 0.120 174.668 174.900 -0.588 0.000 0.982 94 G CA -0.082 44.023 45.100 -1.657 0.000 0.641 94 G HN 0.895 nan 8.290 nan 0.000 0.527 95 A N -0.923 121.372 122.820 -0.876 0.000 2.608 95 A HA 0.781 5.099 4.320 -0.003 0.000 0.292 95 A C -1.106 176.062 177.584 -0.694 0.000 1.066 95 A CA -0.533 51.126 52.037 -0.631 0.000 0.676 95 A CB 0.976 19.834 19.000 -0.237 0.000 1.277 95 A HN 0.891 nan 8.150 nan 0.000 0.413 96 L N 0.995 121.916 121.223 -0.503 0.000 2.346 96 L HA 0.785 5.123 4.340 -0.003 0.000 0.276 96 L C -0.933 175.787 176.870 -0.251 0.000 1.006 96 L CA -1.049 53.574 54.840 -0.362 0.000 0.817 96 L CB 1.905 43.747 42.059 -0.362 0.000 1.272 96 L HN 0.507 nan 8.230 nan 0.000 0.421 97 V N 2.275 122.048 119.914 -0.235 0.000 2.841 97 V HA 0.523 4.641 4.120 -0.003 0.000 0.310 97 V C -0.894 175.041 176.094 -0.266 0.000 1.090 97 V CA -0.604 61.524 62.300 -0.286 0.000 0.930 97 V CB 2.160 33.577 31.823 -0.676 0.000 1.014 97 V HN 0.892 nan 8.190 nan 0.000 0.425 98 Q N 2.492 122.223 119.800 -0.114 0.000 2.309 98 Q HA 0.709 5.047 4.340 -0.003 0.000 0.273 98 Q C -1.816 174.090 176.000 -0.157 0.000 1.040 98 Q CA -1.082 54.613 55.803 -0.181 0.000 0.834 98 Q CB 2.850 31.422 28.738 -0.277 0.000 1.345 98 Q HN 0.632 nan 8.270 nan 0.000 0.414 99 K N 2.923 123.240 120.400 -0.139 0.000 2.345 99 K HA 0.546 4.864 4.320 -0.003 0.000 0.255 99 K C -1.067 175.438 176.600 -0.158 0.000 0.934 99 K CA -0.599 55.615 56.287 -0.121 0.000 0.801 99 K CB 1.953 34.426 32.500 -0.045 0.000 1.137 99 K HN 0.529 nan 8.250 nan 0.000 0.424 100 L N 2.614 123.681 121.223 -0.260 0.000 2.287 100 L HA 0.398 4.736 4.340 -0.003 0.000 0.287 100 L C -0.387 176.381 176.870 -0.170 0.000 1.022 100 L CA -0.655 53.960 54.840 -0.375 0.000 0.814 100 L CB 1.707 43.164 42.059 -1.003 0.000 1.217 100 L HN 0.587 nan 8.230 nan 0.000 0.420 101 T N 2.457 117.056 114.554 0.074 0.000 2.797 101 T HA 0.778 5.126 4.350 -0.003 0.000 0.279 101 T C -0.158 174.712 174.700 0.285 0.000 0.991 101 T CA -0.473 61.722 62.100 0.158 0.000 0.979 101 T CB 1.950 70.860 68.868 0.071 0.000 0.943 101 T HN 0.709 nan 8.240 nan 0.000 0.444 102 A N 2.335 125.297 122.820 0.237 0.000 2.569 102 A HA 0.770 5.089 4.320 -0.003 0.000 0.290 102 A C 1.024 178.618 177.584 0.017 0.000 1.136 102 A CA -0.755 51.319 52.037 0.062 0.000 0.710 102 A CB 1.287 20.214 19.000 -0.122 0.000 1.303 102 A HN 0.637 nan 8.150 nan 0.000 0.413 103 K N 0.280 120.655 120.400 -0.043 0.000 1.980 103 K HA -0.168 4.151 4.320 -0.003 0.000 0.223 103 K C 0.544 177.136 176.600 -0.014 0.000 1.052 103 K CA 2.843 59.110 56.287 -0.033 0.000 0.974 103 K CB -0.120 32.347 32.500 -0.055 0.000 0.734 103 K HN 0.668 nan 8.250 nan 0.000 0.447 104 D N -0.691 119.695 120.400 -0.023 0.000 2.398 104 D HA 0.110 4.748 4.640 -0.003 0.000 0.210 104 D C -0.613 175.696 176.300 0.015 0.000 1.094 104 D CA 0.088 54.084 54.000 -0.007 0.000 0.839 104 D CB 0.864 41.653 40.800 -0.019 0.000 0.963 104 D HN -0.035 nan 8.370 nan 0.000 0.506 105 V N 1.183 121.123 119.914 0.044 0.000 2.638 105 V HA 0.353 4.471 4.120 -0.003 0.000 0.306 105 V C -0.688 175.537 176.094 0.218 0.000 1.052 105 V CA -0.752 61.618 62.300 0.118 0.000 0.885 105 V CB 2.242 34.150 31.823 0.141 0.000 0.999 105 V HN -0.166 nan 8.190 nan 0.000 0.424 106 Q N 2.517 122.392 119.800 0.125 0.000 2.359 106 Q HA 0.809 5.147 4.340 -0.003 0.000 0.274 106 Q C -1.312 174.655 176.000 -0.055 0.000 1.074 106 Q CA -0.541 55.292 55.803 0.050 0.000 0.810 106 Q CB 2.874 31.626 28.738 0.023 0.000 1.342 106 Q HN 0.549 nan 8.270 nan 0.000 0.427 107 V N 1.013 120.814 119.914 -0.187 0.000 2.577 107 V HA 0.490 4.608 4.120 -0.003 0.000 0.303 107 V C -0.963 175.030 176.094 -0.169 0.000 1.042 107 V CA -0.763 61.411 62.300 -0.210 0.000 0.872 107 V CB 1.950 33.554 31.823 -0.365 0.000 0.998 107 V HN 0.766 nan 8.190 nan 0.000 0.423 108 E N 4.917 125.056 120.200 -0.101 0.000 2.155 108 E HA 0.628 4.976 4.350 -0.003 0.000 0.264 108 E C -1.274 175.299 176.600 -0.044 0.000 0.886 108 E CA -0.613 55.746 56.400 -0.068 0.000 0.752 108 E CB 1.415 31.094 29.700 -0.035 0.000 1.133 108 E HN 0.678 nan 8.360 nan 0.000 0.414 109 M N 2.976 122.565 119.600 -0.018 0.000 2.243 109 M HA 0.330 4.808 4.480 -0.003 0.000 0.324 109 M C -0.976 175.392 176.300 0.114 0.000 1.031 109 M CA -0.478 54.868 55.300 0.077 0.000 0.949 109 M CB 2.297 34.993 32.600 0.159 0.000 1.615 109 M HN 0.356 nan 8.290 nan 0.000 0.430 110 T N 3.809 118.400 114.554 0.062 0.000 2.812 110 T HA 0.615 4.963 4.350 -0.003 0.000 0.282 110 T C -1.319 173.344 174.700 -0.061 0.000 0.990 110 T CA -0.559 61.540 62.100 -0.003 0.000 0.960 110 T CB 1.537 70.413 68.868 0.013 0.000 0.948 110 T HN 0.427 nan 8.240 nan 0.000 0.438 111 L N 4.203 125.301 121.223 -0.209 0.000 2.349 111 L HA 0.695 5.033 4.340 -0.003 0.000 0.278 111 L C -0.490 176.347 176.870 -0.056 0.000 0.996 111 L CA -0.233 54.448 54.840 -0.265 0.000 0.825 111 L CB 0.912 42.536 42.059 -0.724 0.000 1.243 111 L HN 0.575 nan 8.230 nan 0.000 0.412 112 R N 3.262 123.788 120.500 0.044 0.000 2.836 112 R HA 0.553 4.891 4.340 -0.003 0.000 0.269 112 R C -1.418 174.976 176.300 0.157 0.000 1.010 112 R CA -0.785 55.466 56.100 0.251 0.000 0.930 112 R CB 1.787 32.227 30.300 0.233 0.000 1.218 112 R HN 0.346 nan 8.270 nan 0.000 0.473 113 F N 0.083 120.171 119.950 0.231 0.000 2.385 113 F HA 0.362 4.887 4.527 -0.003 0.000 0.336 113 F C 0.978 176.895 175.800 0.194 0.000 1.100 113 F CA 0.131 58.221 58.000 0.151 0.000 1.116 113 F CB 1.751 40.775 39.000 0.039 0.000 1.166 113 F HN 0.689 nan 8.300 nan 0.000 0.511 114 A N 1.129 124.107 122.820 0.263 0.000 2.070 114 A HA 0.294 4.612 4.320 -0.003 0.000 0.202 114 A C 0.646 178.401 177.584 0.284 0.000 1.277 114 A CA 0.961 53.153 52.037 0.257 0.000 0.872 114 A CB -0.102 18.865 19.000 -0.054 0.000 0.933 114 A HN 0.695 nan 8.150 nan 0.000 0.475 115 T N -5.353 109.343 114.554 0.236 0.000 2.812 115 T HA 0.517 4.865 4.350 -0.003 0.000 0.294 115 T C -2.949 171.889 174.700 0.230 0.000 1.159 115 T CA -1.263 60.967 62.100 0.217 0.000 1.008 115 T CB 1.258 70.215 68.868 0.148 0.000 1.289 115 T HN -0.169 nan 8.240 nan 0.000 0.514 116 P HA 0.216 nan 4.420 nan 0.000 0.239 116 P C 0.696 178.163 177.300 0.278 0.000 1.184 116 P CA 0.311 63.516 63.100 0.176 0.000 0.760 116 P CB 0.118 31.922 31.700 0.172 0.000 0.884 117 R N -2.916 117.762 120.500 0.295 0.000 2.526 117 R HA 0.270 4.608 4.340 -0.003 0.000 0.346 117 R C -0.192 176.371 176.300 0.438 0.000 0.926 117 R CA 0.343 56.661 56.100 0.364 0.000 1.147 117 R CB 0.494 30.921 30.300 0.213 0.000 1.629 117 R HN 0.044 nan 8.270 nan 0.000 0.516 118 T N 0.997 115.785 114.554 0.389 0.000 2.921 118 T HA 0.360 4.708 4.350 -0.003 0.000 0.297 118 T C -0.405 174.404 174.700 0.181 0.000 1.013 118 T CA -0.529 61.751 62.100 0.299 0.000 0.990 118 T CB 2.493 71.408 68.868 0.078 0.000 1.023 118 T HN 0.080 nan 8.240 nan 0.000 0.447 119 S N 2.268 118.016 115.700 0.080 0.000 2.638 119 S HA 0.853 5.321 4.470 -0.003 0.000 0.298 119 S C -0.909 173.603 174.600 -0.147 0.000 1.111 119 S CA -0.964 57.046 58.200 -0.317 0.000 1.027 119 S CB 1.538 64.361 63.200 -0.629 0.000 1.064 119 S HN 0.568 nan 8.310 nan 0.000 0.525 120 L N 1.867 122.995 121.223 -0.159 0.000 2.362 120 L HA 0.759 5.097 4.340 -0.003 0.000 0.275 120 L C -1.455 175.362 176.870 -0.088 0.000 0.998 120 L CA -0.907 53.864 54.840 -0.115 0.000 0.820 120 L CB 1.634 43.670 42.059 -0.039 0.000 1.270 120 L HN 0.820 nan 8.230 nan 0.000 0.415 121 L N 4.332 125.487 121.223 -0.114 0.000 2.313 121 L HA 0.565 4.903 4.340 -0.003 0.000 0.283 121 L C -0.605 176.264 176.870 -0.002 0.000 1.013 121 L CA -0.004 54.804 54.840 -0.053 0.000 0.816 121 L CB 1.538 43.577 42.059 -0.034 0.000 1.236 121 L HN 0.803 nan 8.230 nan 0.000 0.419 122 E N 2.975 123.182 120.200 0.012 0.000 2.134 122 E HA 0.391 4.740 4.350 -0.003 0.000 0.278 122 E C -1.223 175.298 176.600 -0.132 0.000 0.959 122 E CA -0.437 55.886 56.400 -0.129 0.000 0.783 122 E CB 0.986 30.706 29.700 0.033 0.000 1.095 122 E HN 0.699 nan 8.360 nan 0.000 0.399 123 T N 5.466 119.888 114.554 -0.220 0.000 2.963 123 T HA 0.190 4.538 4.350 -0.003 0.000 0.343 123 T C -0.433 174.189 174.700 -0.131 0.000 1.146 123 T CA -0.542 61.503 62.100 -0.092 0.000 1.016 123 T CB 0.510 69.391 68.868 0.021 0.000 1.046 123 T HN 0.314 nan 8.240 nan 0.000 0.496 124 K N 4.282 124.621 120.400 -0.101 0.000 2.264 124 K HA 0.449 4.767 4.320 -0.003 0.000 0.277 124 K C -0.919 175.648 176.600 -0.056 0.000 1.067 124 K CA -0.629 55.610 56.287 -0.080 0.000 0.900 124 K CB 0.270 32.738 32.500 -0.054 0.000 1.124 124 K HN 0.346 nan 8.250 nan 0.000 0.469 125 I N 3.348 123.894 120.570 -0.041 0.000 2.354 125 I HA 0.178 4.346 4.170 -0.003 0.000 0.292 125 I C -0.130 175.980 176.117 -0.012 0.000 0.989 125 I CA -0.223 61.060 61.300 -0.029 0.000 1.188 125 I CB 2.016 40.005 38.000 -0.019 0.000 1.342 125 I HN 0.461 nan 8.210 nan 0.000 0.457 126 T N 4.501 119.053 114.554 -0.004 0.000 2.772 126 T HA 0.619 4.967 4.350 -0.003 0.000 0.288 126 T C -0.432 174.278 174.700 0.017 0.000 0.994 126 T CA -0.589 61.515 62.100 0.007 0.000 0.951 126 T CB 0.854 69.727 68.868 0.008 0.000 0.933 126 T HN 0.546 nan 8.240 nan 0.000 0.447 127 S N 2.277 117.983 115.700 0.011 0.000 2.562 127 S HA 0.270 4.738 4.470 -0.003 0.000 0.274 127 S C 0.540 175.143 174.600 0.005 0.000 1.160 127 S CA -0.867 57.339 58.200 0.010 0.000 0.933 127 S CB 0.793 63.996 63.200 0.005 0.000 1.100 127 S HN 0.744 nan 8.310 nan 0.000 0.468 128 N N 3.324 122.026 118.700 0.004 0.000 2.398 128 N HA 0.095 4.833 4.740 -0.003 0.000 0.188 128 N C -0.209 175.303 175.510 0.004 0.000 1.122 128 N CA 0.044 53.096 53.050 0.004 0.000 0.866 128 N CB 0.090 38.579 38.487 0.004 0.000 0.970 128 N HN 0.497 nan 8.380 nan 0.000 0.462 129 K N 0.418 120.818 120.400 -0.001 0.000 2.435 129 K HA 0.493 4.811 4.320 -0.003 0.000 0.251 129 K C -2.882 173.710 176.600 -0.013 0.000 0.954 129 K CA -2.057 54.230 56.287 -0.000 0.000 0.820 129 K CB 2.135 34.635 32.500 -0.001 0.000 1.292 129 K HN -0.155 nan 8.250 nan 0.000 0.436 130 P HA 0.086 nan 4.420 nan 0.000 0.268 130 P C -0.951 176.278 177.300 -0.118 0.000 1.208 130 P CA 0.182 63.245 63.100 -0.063 0.000 0.777 130 P CB 0.492 32.222 31.700 0.051 0.000 0.875 131 L N 1.276 122.337 121.223 -0.270 0.000 2.415 131 L HA 0.478 4.816 4.340 -0.003 0.000 0.256 131 L C -0.606 176.102 176.870 -0.269 0.000 1.010 131 L CA -0.795 53.936 54.840 -0.182 0.000 0.826 131 L CB 2.273 44.275 42.059 -0.095 0.000 1.405 131 L HN 0.169 nan 8.230 nan 0.000 0.410 132 D N 2.670 123.024 120.400 -0.075 0.000 2.381 132 D HA 0.485 5.123 4.640 -0.003 0.000 0.235 132 D C -0.741 175.527 176.300 -0.052 0.000 1.068 132 D CA -0.219 53.759 54.000 -0.037 0.000 0.832 132 D CB 2.227 43.043 40.800 0.027 0.000 1.101 132 D HN 0.218 nan 8.370 nan 0.000 0.515 133 L N 1.555 122.690 121.223 -0.148 0.000 2.312 133 L HA 0.541 4.879 4.340 -0.003 0.000 0.281 133 L C -0.128 176.478 176.870 -0.440 0.000 1.070 133 L CA -0.883 53.725 54.840 -0.386 0.000 0.805 133 L CB 1.549 43.236 42.059 -0.620 0.000 1.174 133 L HN -0.037 nan 8.230 nan 0.000 0.434 134 V N 1.506 121.111 119.914 -0.515 0.000 2.623 134 V HA 0.428 4.546 4.120 -0.003 0.000 0.304 134 V C -0.894 174.987 176.094 -0.355 0.000 1.054 134 V CA -0.615 61.509 62.300 -0.294 0.000 0.882 134 V CB 2.130 33.867 31.823 -0.144 0.000 1.002 134 V HN 0.611 nan 8.190 nan 0.000 0.424 135 W N 3.834 125.156 121.300 0.038 0.000 2.632 135 W HA 0.603 5.261 4.660 -0.003 0.000 0.328 135 W C -0.537 175.909 176.519 -0.122 0.000 1.044 135 W CA -0.451 56.912 57.345 0.030 0.000 1.225 135 W CB 2.282 31.826 29.460 0.140 0.000 1.396 135 W HN 0.736 nan 8.180 nan 0.000 0.499 136 D N 0.635 120.955 120.400 -0.134 0.000 2.523 136 D HA 0.761 5.400 4.640 -0.003 0.000 0.236 136 D C -0.532 175.202 176.300 -0.943 0.000 1.094 136 D CA -0.504 53.117 54.000 -0.632 0.000 0.942 136 D CB 2.512 43.115 40.800 -0.327 0.000 1.447 136 D HN 0.435 nan 8.370 nan 0.000 0.479 137 G N -0.651 107.384 108.800 -1.275 0.000 2.601 137 G HA2 0.482 4.440 3.960 -0.003 0.000 0.291 137 G HA3 0.482 4.440 3.960 -0.003 0.000 0.291 137 G C -1.903 172.829 174.900 -0.280 0.000 1.456 137 G CA -0.777 43.890 45.100 -0.722 0.000 0.804 137 G HN 0.631 nan 8.290 nan 0.000 0.499 138 E N 0.172 120.439 120.200 0.111 0.000 2.321 138 E HA 0.411 4.760 4.350 -0.003 0.000 0.281 138 E C -0.758 175.975 176.600 0.222 0.000 0.910 138 E CA -0.702 55.784 56.400 0.144 0.000 0.770 138 E CB 1.853 31.568 29.700 0.025 0.000 1.225 138 E HN 0.474 nan 8.360 nan 0.000 0.417 139 L N 4.151 125.492 121.223 0.198 0.000 2.417 139 L HA 0.296 4.634 4.340 -0.003 0.000 0.268 139 L C 0.497 177.403 176.870 0.061 0.000 1.158 139 L CA -0.472 54.438 54.840 0.117 0.000 0.819 139 L CB 0.266 42.378 42.059 0.088 0.000 1.112 139 L HN 0.495 nan 8.230 nan 0.000 0.458 140 L N 1.823 123.070 121.223 0.040 0.000 2.473 140 L HA 0.016 4.354 4.340 -0.003 0.000 0.268 140 L C 1.227 178.113 176.870 0.028 0.000 1.215 140 L CA 0.505 55.353 54.840 0.013 0.000 0.823 140 L CB 0.494 42.566 42.059 0.022 0.000 1.099 140 L HN 0.775 nan 8.230 nan 0.000 0.483 141 E N 0.789 120.985 120.200 -0.008 0.000 2.354 141 E HA 0.087 4.435 4.350 -0.003 0.000 0.203 141 E C 0.021 176.631 176.600 0.017 0.000 0.841 141 E CA -0.171 56.236 56.400 0.012 0.000 1.046 141 E CB 0.580 30.275 29.700 -0.009 0.000 1.040 141 E HN 0.483 nan 8.360 nan 0.000 0.504 142 K N 1.453 121.825 120.400 -0.046 0.000 2.298 142 K HA 0.094 4.412 4.320 -0.003 0.000 0.280 142 K C 0.786 177.466 176.600 0.133 0.000 1.032 142 K CA -0.328 55.962 56.287 0.006 0.000 0.958 142 K CB 1.771 34.161 32.500 -0.183 0.000 0.978 142 K HN 0.064 nan 8.250 nan 0.000 0.472 143 L N 2.599 123.928 121.223 0.176 0.000 2.034 143 L HA -0.049 4.289 4.340 -0.003 0.000 0.203 143 L C 0.307 177.249 176.870 0.121 0.000 1.074 143 L CA 1.583 56.509 54.840 0.143 0.000 0.748 143 L CB 0.070 42.166 42.059 0.061 0.000 0.905 143 L HN 0.790 nan 8.230 nan 0.000 0.439 144 E N -0.873 119.375 120.200 0.080 0.000 2.356 144 E HA 0.684 5.032 4.350 -0.003 0.000 0.275 144 E C -1.393 174.948 176.600 -0.432 0.000 0.904 144 E CA -0.761 55.537 56.400 -0.169 0.000 0.757 144 E CB 1.945 31.534 29.700 -0.184 0.000 1.232 144 E HN 0.175 nan 8.360 nan 0.000 0.442 145 A N 2.074 124.521 122.820 -0.621 0.000 2.606 145 A HA 0.679 4.997 4.320 -0.003 0.000 0.293 145 A C -1.546 175.816 177.584 -0.370 0.000 1.082 145 A CA -0.934 50.676 52.037 -0.712 0.000 0.685 145 A CB 2.182 20.302 19.000 -1.466 0.000 1.284 145 A HN 0.551 nan 8.150 nan 0.000 0.408 146 K N 1.200 121.438 120.400 -0.270 0.000 2.535 146 K HA 0.432 4.750 4.320 -0.003 0.000 0.253 146 K C -0.733 175.687 176.600 -0.301 0.000 0.953 146 K CA -0.282 55.884 56.287 -0.201 0.000 0.863 146 K CB 0.594 33.051 32.500 -0.072 0.000 1.111 146 K HN 0.597 nan 8.250 nan 0.000 0.431 147 E N 2.596 122.556 120.200 -0.400 0.000 2.269 147 E HA -0.247 4.101 4.350 -0.003 0.000 0.223 147 E C 0.556 177.029 176.600 -0.212 0.000 1.244 147 E CA 1.523 57.673 56.400 -0.416 0.000 0.713 147 E CB -1.533 27.717 29.700 -0.750 0.000 1.178 147 E HN 1.176 nan 8.360 nan 0.000 0.370 148 G N -0.995 107.705 108.800 -0.166 0.000 2.253 148 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.251 148 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.251 148 G C 0.216 175.071 174.900 -0.076 0.000 0.998 148 G CA 0.531 45.596 45.100 -0.057 0.000 0.621 148 G HN 0.135 nan 8.290 nan 0.000 0.524 149 K N 2.105 122.428 120.400 -0.128 0.000 2.253 149 K HA 0.409 4.727 4.320 -0.003 0.000 0.277 149 K C -2.292 174.194 176.600 -0.189 0.000 1.053 149 K CA -2.169 54.062 56.287 -0.094 0.000 0.892 149 K CB 1.743 34.223 32.500 -0.033 0.000 1.102 149 K HN 0.247 nan 8.250 nan 0.000 0.469 150 P HA -0.001 nan 4.420 nan 0.000 0.264 150 P C 0.483 177.712 177.300 -0.118 0.000 1.193 150 P CA 0.111 63.097 63.100 -0.189 0.000 0.763 150 P CB 0.698 32.418 31.700 0.033 0.000 0.810 151 L N 1.759 122.897 121.223 -0.142 0.000 2.418 151 L HA 0.007 4.345 4.340 -0.003 0.000 0.218 151 L C 1.312 178.159 176.870 -0.039 0.000 1.125 151 L CA 0.867 55.661 54.840 -0.077 0.000 0.835 151 L CB -0.222 41.788 42.059 -0.081 0.000 0.953 151 L HN 0.594 nan 8.230 nan 0.000 0.454 152 S N -2.564 113.120 115.700 -0.027 0.000 2.636 152 S HA 0.133 4.601 4.470 -0.003 0.000 0.266 152 S C -0.686 173.928 174.600 0.025 0.000 1.147 152 S CA -0.417 57.781 58.200 -0.003 0.000 0.815 152 S CB 1.038 64.232 63.200 -0.010 0.000 1.119 152 S HN 0.132 nan 8.310 nan 0.000 0.470 153 D N -0.306 120.109 120.400 0.024 0.000 2.340 153 D HA 0.191 4.830 4.640 -0.003 0.000 0.217 153 D C 0.067 176.386 176.300 0.031 0.000 1.081 153 D CA -0.289 53.733 54.000 0.038 0.000 0.842 153 D CB -0.153 40.663 40.800 0.026 0.000 0.934 153 D HN 0.502 nan 8.370 nan 0.000 0.511 154 K N 0.630 121.041 120.400 0.019 0.000 2.414 154 K HA 0.230 4.548 4.320 -0.003 0.000 0.272 154 K C 0.531 177.144 176.600 0.023 0.000 0.993 154 K CA 0.281 56.569 56.287 0.001 0.000 0.964 154 K CB 0.569 33.051 32.500 -0.030 0.000 0.925 154 K HN 0.267 nan 8.250 nan 0.000 0.487 155 T N -1.291 113.271 114.554 0.012 0.000 2.950 155 T HA 0.297 4.645 4.350 -0.003 0.000 0.288 155 T C 1.424 176.152 174.700 0.047 0.000 1.035 155 T CA -1.020 61.103 62.100 0.038 0.000 1.028 155 T CB 0.799 69.689 68.868 0.037 0.000 1.109 155 T HN 0.247 nan 8.240 nan 0.000 0.514 156 I N 1.082 121.720 120.570 0.114 0.000 2.179 156 I HA -0.104 4.064 4.170 -0.003 0.000 0.242 156 I C 2.981 179.243 176.117 0.242 0.000 1.088 156 I CA 1.913 63.349 61.300 0.226 0.000 1.357 156 I CB -1.990 36.187 38.000 0.295 0.000 1.051 156 I HN 0.907 nan 8.210 nan 0.000 0.409 157 A N 0.871 123.800 122.820 0.181 0.000 1.933 157 A HA -0.083 4.235 4.320 -0.003 0.000 0.218 157 A C 2.502 180.141 177.584 0.091 0.000 1.175 157 A CA 1.825 53.959 52.037 0.163 0.000 0.628 157 A CB -1.290 17.776 19.000 0.110 0.000 0.814 157 A HN 0.442 nan 8.150 nan 0.000 0.444 158 G N -0.611 108.210 108.800 0.035 0.000 2.402 158 G HA2 -0.194 3.765 3.960 -0.003 0.000 0.216 158 G HA3 -0.194 3.765 3.960 -0.003 0.000 0.216 158 G C 1.472 176.320 174.900 -0.087 0.000 1.162 158 G CA 1.248 46.341 45.100 -0.013 0.000 0.777 158 G HN 0.577 nan 8.290 nan 0.000 0.539 159 E N -0.313 119.769 120.200 -0.197 0.000 2.107 159 E HA -0.016 4.332 4.350 -0.003 0.000 0.191 159 E C -0.105 176.105 176.600 -0.651 0.000 0.982 159 E CA 0.490 56.590 56.400 -0.499 0.000 0.809 159 E CB -0.098 29.131 29.700 -0.784 0.000 0.756 159 E HN 0.489 nan 8.360 nan 0.000 0.459 160 Y N -0.866 119.452 120.300 0.030 0.000 2.787 160 Y HA 0.338 4.886 4.550 -0.003 0.000 0.352 160 Y C -2.054 173.902 175.900 0.092 0.000 1.027 160 Y CA -2.760 55.355 58.100 0.026 0.000 1.219 160 Y CB 1.312 39.740 38.460 -0.054 0.000 1.110 160 Y HN 0.044 nan 8.280 nan 0.000 0.614 161 P HA -0.154 nan 4.420 nan 0.000 0.217 161 P C 0.679 178.071 177.300 0.153 0.000 1.148 161 P CA 1.667 64.843 63.100 0.126 0.000 0.828 161 P CB 0.450 32.194 31.700 0.074 0.000 0.783 162 D N -2.965 117.540 120.400 0.175 0.000 2.339 162 D HA -0.053 4.585 4.640 -0.003 0.000 0.217 162 D C 1.490 177.939 176.300 0.247 0.000 1.050 162 D CA 0.193 54.293 54.000 0.167 0.000 0.856 162 D CB -0.417 40.459 40.800 0.126 0.000 0.922 162 D HN 0.150 nan 8.370 nan 0.000 0.518 163 Y N 1.922 122.301 120.300 0.132 0.000 2.181 163 Y HA -0.158 4.390 4.550 -0.003 0.000 0.288 163 Y C 0.628 176.609 175.900 0.135 0.000 1.146 163 Y CA 0.985 59.169 58.100 0.140 0.000 1.164 163 Y CB -0.298 38.262 38.460 0.168 0.000 0.982 163 Y HN 0.021 nan 8.280 nan 0.000 0.515 164 Q N 1.284 121.198 119.800 0.189 0.000 2.417 164 Q HA -0.287 4.051 4.340 -0.003 0.000 0.350 164 Q C -0.251 175.706 176.000 -0.071 0.000 1.364 164 Q CA 0.484 56.313 55.803 0.044 0.000 1.024 164 Q CB -1.374 27.398 28.738 0.057 0.000 1.235 164 Q HN 0.442 nan 8.270 nan 0.000 0.388 165 R N 1.456 121.853 120.500 -0.172 0.000 2.570 165 R HA 0.241 4.579 4.340 -0.003 0.000 0.277 165 R C 0.216 176.389 176.300 -0.213 0.000 1.039 165 R CA 0.438 56.348 56.100 -0.317 0.000 1.065 165 R CB 0.584 30.692 30.300 -0.320 0.000 0.964 165 R HN 0.181 nan 8.270 nan 0.000 0.428 166 K N 3.623 123.859 120.400 -0.274 0.000 2.535 166 K HA 0.267 4.585 4.320 -0.003 0.000 0.250 166 K C -1.158 175.344 176.600 -0.162 0.000 0.948 166 K CA -0.661 55.529 56.287 -0.162 0.000 0.796 166 K CB 1.109 33.536 32.500 -0.121 0.000 1.216 166 K HN 0.336 nan 8.250 nan 0.000 0.432 167 I N 2.756 123.281 120.570 -0.074 0.000 2.353 167 I HA 0.316 4.485 4.170 -0.003 0.000 0.293 167 I C -0.174 175.911 176.117 -0.054 0.000 0.992 167 I CA -0.474 60.801 61.300 -0.041 0.000 1.268 167 I CB 1.185 39.220 38.000 0.058 0.000 1.387 167 I HN 0.527 nan 8.210 nan 0.000 0.478 168 S N 3.863 119.514 115.700 -0.081 0.000 2.526 168 S HA 0.768 5.236 4.470 -0.003 0.000 0.293 168 S C -0.045 174.490 174.600 -0.108 0.000 1.092 168 S CA -0.648 57.504 58.200 -0.079 0.000 0.980 168 S CB 2.227 65.381 63.200 -0.076 0.000 1.048 168 S HN 0.755 nan 8.310 nan 0.000 0.483 169 A N 2.174 124.938 122.820 -0.094 0.000 2.340 169 A HA 0.734 5.052 4.320 -0.003 0.000 0.268 169 A C 0.490 178.006 177.584 -0.113 0.000 1.100 169 A CA -0.384 51.584 52.037 -0.114 0.000 0.803 169 A CB 0.069 19.023 19.000 -0.077 0.000 1.043 169 A HN 0.832 nan 8.150 nan 0.000 0.488 170 T N -1.603 112.866 114.554 -0.143 0.000 2.907 170 T HA 0.487 4.835 4.350 -0.003 0.000 0.290 170 T C 0.871 175.502 174.700 -0.115 0.000 1.066 170 T CA -0.499 61.521 62.100 -0.133 0.000 1.012 170 T CB 1.302 70.055 68.868 -0.191 0.000 1.184 170 T HN 0.747 nan 8.240 nan 0.000 0.522 171 R N 0.552 121.001 120.500 -0.084 0.000 2.293 171 R HA 0.001 4.339 4.340 -0.003 0.000 0.219 171 R C 0.193 176.452 176.300 -0.070 0.000 1.091 171 R CA 1.552 57.616 56.100 -0.060 0.000 1.004 171 R CB -0.537 29.742 30.300 -0.035 0.000 0.865 171 R HN 0.739 nan 8.270 nan 0.000 0.469 172 D N -1.411 118.922 120.400 -0.110 0.000 2.692 172 D HA 0.240 4.878 4.640 -0.003 0.000 0.290 172 D C 0.487 176.660 176.300 -0.212 0.000 1.455 172 D CA 0.132 54.062 54.000 -0.117 0.000 0.796 172 D CB 0.642 41.416 40.800 -0.043 0.000 1.131 172 D HN 0.265 nan 8.370 nan 0.000 0.467 173 G N 0.397 109.048 108.800 -0.248 0.000 2.458 173 G HA2 0.368 4.326 3.960 -0.003 0.000 0.066 173 G HA3 0.368 4.326 3.960 -0.003 0.000 0.066 173 G C -1.493 173.214 174.900 -0.321 0.000 0.986 173 G CA -0.124 44.786 45.100 -0.315 0.000 1.131 173 G HN 0.642 nan 8.290 nan 0.000 0.453 174 L N -1.982 119.023 121.223 -0.363 0.000 2.892 174 L HA 0.944 5.282 4.340 -0.003 0.000 0.269 174 L C -1.371 175.352 176.870 -0.245 0.000 1.058 174 L CA -1.065 53.584 54.840 -0.318 0.000 0.923 174 L CB 2.105 43.888 42.059 -0.461 0.000 1.518 174 L HN 1.050 nan 8.230 nan 0.000 0.402 175 K N 0.030 120.333 120.400 -0.161 0.000 2.532 175 K HA 0.824 5.142 4.320 -0.003 0.000 0.265 175 K C -1.927 174.635 176.600 -0.063 0.000 0.948 175 K CA -0.949 55.288 56.287 -0.084 0.000 0.842 175 K CB 2.600 35.044 32.500 -0.092 0.000 1.392 175 K HN 0.430 nan 8.250 nan 0.000 0.436 176 V N 1.728 121.611 119.914 -0.053 0.000 2.448 176 V HA 0.451 4.569 4.120 -0.003 0.000 0.295 176 V C -0.266 175.519 176.094 -0.515 0.000 1.025 176 V CA -0.559 61.579 62.300 -0.269 0.000 0.859 176 V CB 1.402 33.055 31.823 -0.282 0.000 0.988 176 V HN 1.000 nan 8.190 nan 0.000 0.431 177 T N 1.314 115.529 114.554 -0.565 0.000 2.925 177 T HA 0.832 5.180 4.350 -0.003 0.000 0.285 177 T C -0.903 173.353 174.700 -0.741 0.000 1.021 177 T CA -0.502 61.323 62.100 -0.459 0.000 1.042 177 T CB 1.483 70.240 68.868 -0.184 0.000 1.037 177 T HN 0.207 nan 8.240 nan 0.000 0.481 178 F N -0.109 119.825 119.950 -0.027 0.000 2.556 178 F HA 0.655 5.180 4.527 -0.003 0.000 0.314 178 F C 0.903 176.732 175.800 0.049 0.000 1.106 178 F CA -0.958 57.012 58.000 -0.050 0.000 0.911 178 F CB 1.911 40.921 39.000 0.016 0.000 1.190 178 F HN 1.002 nan 8.300 nan 0.000 0.448 179 G N 0.972 109.930 108.800 0.263 0.000 2.599 179 G HA2 0.276 4.234 3.960 -0.003 0.000 0.264 179 G HA3 0.276 4.234 3.960 -0.003 0.000 0.264 179 G C -0.951 174.087 174.900 0.230 0.000 1.200 179 G CA -0.777 44.448 45.100 0.208 0.000 0.896 179 G HN 0.635 nan 8.290 nan 0.000 0.536 180 K N -0.214 120.270 120.400 0.140 0.000 2.349 180 K HA 0.385 4.703 4.320 -0.003 0.000 0.289 180 K C -0.962 175.678 176.600 0.067 0.000 1.064 180 K CA -0.267 56.074 56.287 0.090 0.000 0.947 180 K CB 0.514 33.050 32.500 0.059 0.000 1.007 180 K HN 0.111 nan 8.250 nan 0.000 0.478 181 V N 6.010 125.929 119.914 0.010 0.000 2.483 181 V HA 0.340 4.458 4.120 -0.003 0.000 0.297 181 V C -0.291 175.751 176.094 -0.088 0.000 1.027 181 V CA -0.949 61.318 62.300 -0.054 0.000 0.855 181 V CB 1.620 33.316 31.823 -0.212 0.000 0.995 181 V HN 0.713 nan 8.190 nan 0.000 0.424 182 R N 3.278 123.746 120.500 -0.054 0.000 3.335 182 R HA 0.459 4.797 4.340 -0.003 0.000 0.337 182 R C 0.322 176.576 176.300 -0.077 0.000 1.283 182 R CA -0.302 55.758 56.100 -0.066 0.000 1.246 182 R CB 0.921 31.194 30.300 -0.045 0.000 1.464 182 R HN 0.696 nan 8.270 nan 0.000 0.607 183 A N 0.829 123.594 122.820 -0.091 0.000 2.805 183 A HA 0.202 4.520 4.320 -0.003 0.000 0.301 183 A C 1.173 178.676 177.584 -0.134 0.000 1.557 183 A CA -0.222 51.775 52.037 -0.066 0.000 1.254 183 A CB -0.170 18.828 19.000 -0.004 0.000 1.114 183 A HN 0.376 nan 8.150 nan 0.000 0.553 184 T N 1.287 115.684 114.554 -0.261 0.000 2.701 184 T HA -0.276 4.072 4.350 -0.003 0.000 0.265 184 T C 0.853 175.323 174.700 -0.384 0.000 1.032 184 T CA 2.460 64.256 62.100 -0.506 0.000 1.158 184 T CB -0.320 67.922 68.868 -1.043 0.000 0.854 184 T HN 0.888 nan 8.240 nan 0.000 0.463 185 W N 0.503 121.875 121.300 0.121 0.000 3.132 185 W HA 0.357 5.016 4.660 -0.002 0.000 0.364 185 W C 1.334 177.482 176.519 -0.618 0.000 1.129 185 W CA -0.715 56.679 57.345 0.081 0.000 1.815 185 W CB 0.620 30.245 29.460 0.275 0.000 1.099 185 W HN 0.214 nan 8.180 nan 0.000 0.605 186 D N -1.008 119.072 120.400 -0.535 0.000 2.272 186 D HA 0.118 4.756 4.640 -0.003 0.000 0.308 186 D C -0.485 175.490 176.300 -0.541 0.000 1.104 186 D CA 0.229 53.857 54.000 -0.621 0.000 0.939 186 D CB 0.880 41.606 40.800 -0.123 0.000 1.733 186 D HN -0.129 nan 8.370 nan 0.000 0.517 187 L N 1.686 122.688 121.223 -0.368 0.000 2.562 187 L HA 0.430 4.768 4.340 -0.003 0.000 0.266 187 L C -2.205 174.512 176.870 -0.256 0.000 0.949 187 L CA -0.378 54.235 54.840 -0.378 0.000 0.879 187 L CB 1.850 43.394 42.059 -0.859 0.000 1.278 187 L HN -0.147 nan 8.230 nan 0.000 0.404 188 L N 4.791 125.924 121.223 -0.150 0.000 2.372 188 L HA 0.808 5.146 4.340 -0.003 0.000 0.274 188 L C -0.407 176.338 176.870 -0.208 0.000 0.988 188 L CA -0.361 54.388 54.840 -0.151 0.000 0.833 188 L CB 2.180 44.183 42.059 -0.094 0.000 1.236 188 L HN 0.769 nan 8.230 nan 0.000 0.410 189 T N -2.470 111.984 114.554 -0.165 0.000 2.896 189 T HA 0.317 4.665 4.350 -0.003 0.000 0.297 189 T C 0.697 175.358 174.700 -0.064 0.000 1.108 189 T CA -0.124 61.905 62.100 -0.119 0.000 1.004 189 T CB 1.891 70.751 68.868 -0.014 0.000 1.159 189 T HN 0.481 nan 8.240 nan 0.000 0.499 190 S N -0.015 115.663 115.700 -0.038 0.000 2.478 190 S HA 0.415 4.883 4.470 -0.003 0.000 0.222 190 S C 1.916 176.542 174.600 0.044 0.000 1.008 190 S CA 0.666 58.871 58.200 0.009 0.000 0.928 190 S CB -0.585 62.630 63.200 0.025 0.000 0.781 190 S HN 2.262 nan 8.310 nan 0.000 0.518 191 G N 0.991 109.836 108.800 0.075 0.000 2.176 191 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.232 191 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.232 191 G C 0.457 175.414 174.900 0.094 0.000 0.986 191 G CA 0.305 45.462 45.100 0.095 0.000 0.643 191 G HN 0.484 nan 8.290 nan 0.000 0.522 192 E N 0.420 120.673 120.200 0.087 0.000 2.630 192 E HA 0.193 4.541 4.350 -0.003 0.000 0.218 192 E C 1.075 177.737 176.600 0.103 0.000 0.977 192 E CA 0.643 57.090 56.400 0.079 0.000 1.038 192 E CB 0.792 30.524 29.700 0.054 0.000 1.051 192 E HN 0.748 nan 8.360 nan 0.000 0.487 193 S N 0.798 116.588 115.700 0.150 0.000 2.592 193 S HA 0.450 4.918 4.470 -0.003 0.000 0.271 193 S C 0.144 174.973 174.600 0.381 0.000 1.326 193 S CA -0.352 57.966 58.200 0.196 0.000 1.024 193 S CB 1.768 65.059 63.200 0.152 0.000 0.921 193 S HN 0.002 nan 8.310 nan 0.000 0.527 194 E N 0.022 120.451 120.200 0.381 0.000 2.412 194 E HA 0.322 4.670 4.350 -0.003 0.000 0.279 194 E C -2.123 174.787 176.600 0.516 0.000 0.984 194 E CA -0.670 55.966 56.400 0.393 0.000 0.788 194 E CB 1.748 31.546 29.700 0.164 0.000 1.277 194 E HN 0.689 nan 8.360 nan 0.000 0.455 195 Y N 1.765 122.249 120.300 0.307 0.000 2.338 195 Y HA 0.277 4.826 4.550 -0.003 0.000 0.328 195 Y C -1.060 174.914 175.900 0.123 0.000 0.965 195 Y CA -0.340 57.892 58.100 0.220 0.000 1.208 195 Y CB 1.066 39.626 38.460 0.166 0.000 1.132 195 Y HN 0.357 nan 8.280 nan 0.000 0.469 196 Q N 4.439 124.093 119.800 -0.244 0.000 2.274 196 Q HA 0.701 5.039 4.340 -0.003 0.000 0.260 196 Q C -1.353 174.526 176.000 -0.202 0.000 0.974 196 Q CA -1.297 54.413 55.803 -0.155 0.000 0.876 196 Q CB 2.967 31.735 28.738 0.048 0.000 1.297 196 Q HN 0.456 nan 8.270 nan 0.000 0.446 197 V N 2.409 122.212 119.914 -0.187 0.000 2.407 197 V HA 0.325 4.443 4.120 -0.003 0.000 0.291 197 V C -1.169 174.725 176.094 -0.333 0.000 1.018 197 V CA -0.772 61.443 62.300 -0.142 0.000 0.842 197 V CB 1.111 32.902 31.823 -0.053 0.000 0.996 197 V HN 0.713 nan 8.190 nan 0.000 0.426 198 H N 2.961 121.900 119.070 -0.218 0.000 2.538 198 H HA 0.690 5.245 4.556 -0.003 0.000 0.353 198 H C -0.417 174.776 175.328 -0.225 0.000 1.109 198 H CA -0.621 55.310 56.048 -0.194 0.000 1.192 198 H CB 1.814 31.481 29.762 -0.158 0.000 1.555 198 H HN 0.527 nan 8.280 nan 0.000 0.518 199 K N 0.480 120.814 120.400 -0.109 0.000 2.395 199 K HA 0.260 4.578 4.320 -0.003 0.000 0.247 199 K C 0.417 176.980 176.600 -0.061 0.000 0.973 199 K CA -0.667 55.533 56.287 -0.144 0.000 0.828 199 K CB 2.175 34.509 32.500 -0.277 0.000 1.272 199 K HN 0.671 nan 8.250 nan 0.000 0.439 200 S N 0.469 116.156 115.700 -0.021 0.000 2.522 200 S HA -0.004 4.464 4.470 -0.003 0.000 0.227 200 S C 0.775 175.388 174.600 0.021 0.000 0.986 200 S CA -0.097 58.123 58.200 0.034 0.000 0.929 200 S CB -0.681 62.595 63.200 0.128 0.000 0.769 200 S HN 0.536 nan 8.310 nan 0.000 0.529 201 L N -1.621 119.595 121.223 -0.012 0.000 2.370 201 L HA 0.815 5.153 4.340 -0.003 0.000 0.266 201 L C -3.412 173.447 176.870 -0.018 0.000 1.002 201 L CA -2.651 52.194 54.840 0.009 0.000 0.818 201 L CB 1.220 43.306 42.059 0.046 0.000 1.325 201 L HN -0.277 nan 8.230 nan 0.000 0.418 202 P HA 0.264 nan 4.420 nan 0.000 0.271 202 P C -0.920 176.391 177.300 0.018 0.000 1.216 202 P CA -0.238 62.861 63.100 -0.002 0.000 0.776 202 P CB 1.324 33.032 31.700 0.014 0.000 0.881 203 V N -0.010 119.900 119.914 -0.005 0.000 3.007 203 V HA 0.467 4.585 4.120 -0.003 0.000 0.311 203 V C -0.866 175.249 176.094 0.036 0.000 1.120 203 V CA -0.920 61.407 62.300 0.045 0.000 0.980 203 V CB 2.388 34.211 31.823 0.000 0.000 1.033 203 V HN 0.198 nan 8.190 nan 0.000 0.429 204 Q N 2.066 121.911 119.800 0.075 0.000 2.406 204 Q HA 0.417 4.755 4.340 -0.003 0.000 0.242 204 Q C -0.285 175.752 176.000 0.061 0.000 1.036 204 Q CA 0.118 55.950 55.803 0.048 0.000 0.904 204 Q CB 1.182 29.946 28.738 0.045 0.000 1.244 204 Q HN 0.917 nan 8.270 nan 0.000 0.478 205 T N 2.546 117.118 114.554 0.030 0.000 2.767 205 T HA 0.294 4.643 4.350 -0.003 0.000 0.288 205 T C -0.093 174.631 174.700 0.040 0.000 0.963 205 T CA -0.433 61.693 62.100 0.044 0.000 1.019 205 T CB 1.160 70.006 68.868 -0.036 0.000 0.923 205 T HN 0.403 nan 8.240 nan 0.000 0.468 206 E N 3.049 123.296 120.200 0.078 0.000 2.187 206 E HA 0.497 4.846 4.350 -0.003 0.000 0.268 206 E C -1.249 175.404 176.600 0.088 0.000 0.896 206 E CA -0.780 55.653 56.400 0.056 0.000 0.766 206 E CB 0.771 30.493 29.700 0.036 0.000 1.142 206 E HN 0.353 nan 8.360 nan 0.000 0.408 207 I N 3.637 124.243 120.570 0.061 0.000 2.404 207 I HA 0.289 4.457 4.170 -0.003 0.000 0.293 207 I C -0.899 175.248 176.117 0.049 0.000 0.992 207 I CA -0.583 60.764 61.300 0.078 0.000 1.149 207 I CB 1.664 39.696 38.000 0.053 0.000 1.315 207 I HN 0.420 nan 8.210 nan 0.000 0.446 208 N N 4.602 123.334 118.700 0.053 0.000 2.664 208 N HA 0.605 5.343 4.740 -0.003 0.000 0.257 208 N C 0.388 175.917 175.510 0.033 0.000 1.108 208 N CA 0.180 53.248 53.050 0.030 0.000 0.822 208 N CB 1.620 40.117 38.487 0.016 0.000 1.199 208 N HN 0.923 nan 8.380 nan 0.000 0.529 209 G N 1.945 110.763 108.800 0.029 0.000 2.561 209 G HA2 -0.382 3.577 3.960 -0.003 0.000 0.289 209 G HA3 -0.382 3.577 3.960 -0.003 0.000 0.289 209 G C 0.359 175.286 174.900 0.045 0.000 1.169 209 G CA -0.056 45.061 45.100 0.028 0.000 0.980 209 G HN 0.519 nan 8.290 nan 0.000 0.550 210 N N 2.331 121.060 118.700 0.049 0.000 2.370 210 N HA 0.093 4.831 4.740 -0.003 0.000 0.198 210 N C 1.028 176.609 175.510 0.117 0.000 1.156 210 N CA 1.139 54.234 53.050 0.075 0.000 0.839 210 N CB 0.103 38.625 38.487 0.058 0.000 0.989 210 N HN 0.833 nan 8.380 nan 0.000 0.468 211 R N -0.036 120.522 120.500 0.097 0.000 2.892 211 R HA 0.632 4.970 4.340 -0.003 0.000 0.265 211 R C -0.952 175.430 176.300 0.136 0.000 1.025 211 R CA -0.819 55.327 56.100 0.076 0.000 0.982 211 R CB 1.161 31.453 30.300 -0.012 0.000 1.185 211 R HN -0.101 nan 8.270 nan 0.000 0.484 212 F N -1.830 118.105 119.950 -0.026 0.000 2.662 212 F HA 0.717 5.242 4.527 -0.003 0.000 0.312 212 F C -1.748 174.026 175.800 -0.042 0.000 1.113 212 F CA -0.817 57.157 58.000 -0.044 0.000 0.951 212 F CB 2.398 41.352 39.000 -0.076 0.000 1.344 212 F HN 0.501 nan 8.300 nan 0.000 0.462 213 T N 1.596 116.267 114.554 0.194 0.000 3.011 213 T HA 0.547 4.896 4.350 -0.003 0.000 0.303 213 T C -1.286 173.575 174.700 0.269 0.000 0.997 213 T CA -0.709 61.448 62.100 0.095 0.000 1.007 213 T CB 1.438 70.302 68.868 -0.007 0.000 1.017 213 T HN 0.719 nan 8.240 nan 0.000 0.443 214 S N 3.044 118.965 115.700 0.369 0.000 2.472 214 S HA 0.640 5.108 4.470 -0.003 0.000 0.303 214 S C -0.465 174.364 174.600 0.382 0.000 1.099 214 S CA -0.996 57.416 58.200 0.352 0.000 1.077 214 S CB 1.333 64.754 63.200 0.369 0.000 1.031 214 S HN 0.508 nan 8.310 nan 0.000 0.487 215 K N 1.112 121.672 120.400 0.267 0.000 2.385 215 K HA 0.872 5.190 4.320 -0.003 0.000 0.248 215 K C -1.065 175.687 176.600 0.253 0.000 0.955 215 K CA -0.876 55.533 56.287 0.204 0.000 0.816 215 K CB 2.233 34.764 32.500 0.052 0.000 1.250 215 K HN 0.671 nan 8.250 nan 0.000 0.434 216 A N 1.343 124.301 122.820 0.231 0.000 2.604 216 A HA 0.406 4.724 4.320 -0.003 0.000 0.295 216 A C -2.007 175.678 177.584 0.169 0.000 1.067 216 A CA -0.663 51.517 52.037 0.239 0.000 0.683 216 A CB 1.445 20.678 19.000 0.389 0.000 1.281 216 A HN 0.766 nan 8.150 nan 0.000 0.407 217 H N 2.722 121.834 119.070 0.071 0.000 2.489 217 H HA 0.646 5.200 4.556 -0.003 0.000 0.343 217 H C -1.229 174.130 175.328 0.052 0.000 1.086 217 H CA -0.541 55.532 56.048 0.042 0.000 1.198 217 H CB 1.334 31.110 29.762 0.024 0.000 1.490 217 H HN 0.803 nan 8.280 nan 0.000 0.504 218 I N 2.117 122.495 120.570 -0.320 0.000 2.569 218 I HA 0.288 4.456 4.170 -0.003 0.000 0.296 218 I C 0.088 176.071 176.117 -0.223 0.000 1.028 218 I CA -0.900 60.326 61.300 -0.123 0.000 1.082 218 I CB 1.647 39.613 38.000 -0.056 0.000 1.264 218 I HN 0.495 nan 8.210 nan 0.000 0.429 219 N N 3.275 121.978 118.700 0.006 0.000 2.494 219 N HA 0.178 4.916 4.740 -0.003 0.000 0.182 219 N C 0.839 176.351 175.510 0.004 0.000 1.076 219 N CA 0.911 53.994 53.050 0.054 0.000 0.908 219 N CB 0.761 39.306 38.487 0.096 0.000 0.967 219 N HN 0.988 nan 8.380 nan 0.000 0.449 220 G N -0.622 108.166 108.800 -0.019 0.000 2.399 220 G HA2 0.031 3.990 3.960 -0.003 0.000 0.256 220 G HA3 0.031 3.990 3.960 -0.003 0.000 0.256 220 G C -1.407 173.489 174.900 -0.006 0.000 1.236 220 G CA -0.702 44.391 45.100 -0.012 0.000 0.914 220 G HN 0.009 nan 8.290 nan 0.000 0.482 221 S N 0.071 115.773 115.700 0.003 0.000 2.593 221 S HA 0.489 4.957 4.470 -0.003 0.000 0.300 221 S C 0.264 174.870 174.600 0.010 0.000 1.267 221 S CA 1.281 59.484 58.200 0.005 0.000 1.065 221 S CB 0.728 63.934 63.200 0.009 0.000 0.807 221 S HN 1.199 nan 8.310 nan 0.000 0.499 222 T N 1.906 116.463 114.554 0.006 0.000 2.827 222 T HA 0.453 4.801 4.350 -0.003 0.000 0.328 222 T C -1.527 173.167 174.700 -0.011 0.000 1.598 222 T CA -0.581 61.525 62.100 0.011 0.000 1.043 222 T CB 1.446 70.328 68.868 0.024 0.000 1.447 222 T HN 0.451 nan 8.240 nan 0.000 0.491 223 T N 3.314 117.855 114.554 -0.022 0.000 2.812 223 T HA 0.684 5.032 4.350 -0.003 0.000 0.282 223 T C -0.494 174.099 174.700 -0.179 0.000 0.990 223 T CA -0.576 61.453 62.100 -0.119 0.000 0.960 223 T CB 0.606 69.403 68.868 -0.117 0.000 0.948 223 T HN 0.707 nan 8.240 nan 0.000 0.438 224 L N 0.618 121.678 121.223 -0.272 0.000 2.319 224 L HA 0.907 5.245 4.340 -0.003 0.000 0.267 224 L C -1.557 174.993 176.870 -0.533 0.000 1.011 224 L CA -1.203 53.502 54.840 -0.225 0.000 0.818 224 L CB 1.264 43.300 42.059 -0.039 0.000 1.316 224 L HN 0.460 nan 8.230 nan 0.000 0.432 225 Y N -0.839 119.440 120.300 -0.034 0.000 2.462 225 Y HA 0.729 5.277 4.550 -0.003 0.000 0.346 225 Y C -0.275 175.536 175.900 -0.148 0.000 0.976 225 Y CA -0.586 57.470 58.100 -0.072 0.000 1.044 225 Y CB 2.748 41.176 38.460 -0.053 0.000 1.230 225 Y HN 0.634 nan 8.280 nan 0.000 0.455 226 T N 1.527 116.023 114.554 -0.097 0.000 2.886 226 T HA 0.505 4.853 4.350 -0.003 0.000 0.292 226 T C -0.613 173.832 174.700 -0.425 0.000 1.012 226 T CA -1.016 60.902 62.100 -0.303 0.000 0.982 226 T CB 1.325 69.922 68.868 -0.451 0.000 1.018 226 T HN 0.625 nan 8.240 nan 0.000 0.451 227 T N 0.408 114.722 114.554 -0.400 0.000 2.855 227 T HA 0.725 5.073 4.350 -0.003 0.000 0.281 227 T C -1.375 173.078 174.700 -0.411 0.000 1.007 227 T CA -0.750 61.138 62.100 -0.355 0.000 1.009 227 T CB 0.802 69.554 68.868 -0.193 0.000 0.983 227 T HN 0.406 nan 8.240 nan 0.000 0.455 228 Y N 0.649 120.903 120.300 -0.077 0.000 2.350 228 Y HA 0.633 5.181 4.550 -0.003 0.000 0.338 228 Y C 0.133 175.859 175.900 -0.289 0.000 0.961 228 Y CA -1.115 56.862 58.100 -0.205 0.000 1.100 228 Y CB 2.275 40.766 38.460 0.052 0.000 1.179 228 Y HN 0.795 nan 8.280 nan 0.000 0.454 229 S N 1.920 117.413 115.700 -0.345 0.000 2.614 229 S HA 0.254 4.723 4.470 -0.003 0.000 0.288 229 S C -1.706 172.801 174.600 -0.155 0.000 1.137 229 S CA -0.737 57.347 58.200 -0.193 0.000 0.992 229 S CB 0.854 64.033 63.200 -0.036 0.000 1.026 229 S HN 0.628 nan 8.310 nan 0.000 0.486 230 H N 3.260 122.295 119.070 -0.058 0.000 2.581 230 H HA 0.599 5.153 4.556 -0.003 0.000 0.308 230 H C -1.306 174.136 175.328 0.190 0.000 1.040 230 H CA -0.706 55.459 56.048 0.196 0.000 1.231 230 H CB 0.030 29.995 29.762 0.337 0.000 1.396 230 H HN 0.482 nan 8.280 nan 0.000 0.467 231 L N 6.339 127.549 121.223 -0.021 0.000 2.313 231 L HA 0.217 4.555 4.340 -0.003 0.000 0.283 231 L C 0.238 176.984 176.870 -0.208 0.000 1.013 231 L CA -0.755 54.025 54.840 -0.099 0.000 0.816 231 L CB 1.677 43.742 42.059 0.011 0.000 1.236 231 L HN 0.558 nan 8.230 nan 0.000 0.419 232 L N 1.634 122.693 121.223 -0.273 0.000 2.529 232 L HA 0.144 4.482 4.340 -0.003 0.000 0.223 232 L C 1.003 177.833 176.870 -0.067 0.000 1.113 232 L CA 0.623 55.307 54.840 -0.260 0.000 0.861 232 L CB -0.069 41.720 42.059 -0.449 0.000 1.012 232 L HN 0.793 nan 8.230 nan 0.000 0.461 233 T N -6.225 108.327 114.554 -0.004 0.000 2.864 233 T HA 0.646 4.994 4.350 -0.003 0.000 0.299 233 T C 0.893 175.609 174.700 0.027 0.000 1.166 233 T CA -0.264 61.858 62.100 0.037 0.000 1.007 233 T CB 1.644 70.553 68.868 0.068 0.000 1.219 233 T HN -0.151 nan 8.240 nan 0.000 0.506 234 A N 0.516 123.354 122.820 0.031 0.000 1.940 234 A HA -0.070 4.248 4.320 -0.003 0.000 0.219 234 A C 2.167 179.760 177.584 0.015 0.000 1.176 234 A CA 1.813 53.864 52.037 0.024 0.000 0.631 234 A CB -1.096 17.917 19.000 0.023 0.000 0.814 234 A HN 0.797 nan 8.150 nan 0.000 0.446 235 Q N 0.016 119.823 119.800 0.011 0.000 2.084 235 Q HA -0.137 4.201 4.340 -0.003 0.000 0.202 235 Q C 1.893 177.892 176.000 -0.001 0.000 0.978 235 Q CA 1.882 57.686 55.803 0.001 0.000 0.844 235 Q CB -0.342 28.393 28.738 -0.006 0.000 0.898 235 Q HN 0.801 nan 8.270 nan 0.000 0.426 236 E N -0.405 119.795 120.200 -0.000 0.000 2.077 236 E HA -0.140 4.208 4.350 -0.003 0.000 0.193 236 E C 1.975 178.576 176.600 0.002 0.000 0.989 236 E CA 1.244 57.642 56.400 -0.004 0.000 0.800 236 E CB -0.021 29.670 29.700 -0.014 0.000 0.746 236 E HN 0.124 nan 8.360 nan 0.000 0.452 237 V N 1.120 121.039 119.914 0.009 0.000 2.287 237 V HA -0.277 3.841 4.120 -0.003 0.000 0.248 237 V C 2.278 178.376 176.094 0.005 0.000 1.053 237 V CA 1.995 64.305 62.300 0.015 0.000 1.027 237 V CB -0.458 31.382 31.823 0.027 0.000 0.646 237 V HN 0.211 nan 8.190 nan 0.000 0.447 238 S N -0.508 115.194 115.700 0.003 0.000 2.356 238 S HA -0.247 4.221 4.470 -0.003 0.000 0.223 238 S C 2.023 176.617 174.600 -0.011 0.000 1.032 238 S CA 1.806 60.005 58.200 -0.003 0.000 1.005 238 S CB -0.348 62.851 63.200 -0.002 0.000 0.867 238 S HN 0.603 nan 8.310 nan 0.000 0.449 239 K N 1.003 121.398 120.400 -0.009 0.000 2.147 239 K HA -0.120 4.198 4.320 -0.003 0.000 0.205 239 K C 1.961 178.551 176.600 -0.016 0.000 1.049 239 K CA 1.326 57.607 56.287 -0.010 0.000 0.936 239 K CB -0.063 32.434 32.500 -0.005 0.000 0.722 239 K HN 0.143 nan 8.250 nan 0.000 0.446 240 E N 0.460 120.648 120.200 -0.020 0.000 2.274 240 E HA -0.118 4.230 4.350 -0.003 0.000 0.194 240 E C 1.856 178.405 176.600 -0.085 0.000 0.996 240 E CA 0.818 57.196 56.400 -0.037 0.000 0.840 240 E CB 0.127 29.811 29.700 -0.026 0.000 0.772 240 E HN 0.248 nan 8.360 nan 0.000 0.491 241 Q N -0.063 119.686 119.800 -0.084 0.000 2.096 241 Q HA -0.207 4.131 4.340 -0.003 0.000 0.204 241 Q C 2.306 178.235 176.000 -0.118 0.000 0.982 241 Q CA 2.019 57.747 55.803 -0.125 0.000 0.850 241 Q CB -0.712 27.983 28.738 -0.072 0.000 0.901 241 Q HN 0.613 nan 8.270 nan 0.000 0.422 242 M N -0.747 118.810 119.600 -0.071 0.000 2.229 242 M HA -0.094 4.384 4.480 -0.003 0.000 0.264 242 M C 1.655 177.918 176.300 -0.061 0.000 1.063 242 M CA 1.407 56.674 55.300 -0.055 0.000 1.114 242 M CB -0.334 32.248 32.600 -0.030 0.000 1.387 242 M HN -0.081 nan 8.290 nan 0.000 0.420 243 Q N 1.481 121.242 119.800 -0.065 0.000 2.079 243 Q HA 0.015 4.354 4.340 -0.003 0.000 0.200 243 Q C 2.242 178.152 176.000 -0.150 0.000 0.974 243 Q CA 1.615 57.377 55.803 -0.068 0.000 0.840 243 Q CB -0.537 28.174 28.738 -0.044 0.000 0.898 243 Q HN 0.693 nan 8.270 nan 0.000 0.430 244 I N 0.526 120.980 120.570 -0.194 0.000 2.226 244 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 244 I C 2.537 178.521 176.117 -0.221 0.000 1.100 244 I CA 1.112 62.250 61.300 -0.270 0.000 1.374 244 I CB -0.197 37.538 38.000 -0.441 0.000 1.057 244 I HN 0.147 nan 8.210 nan 0.000 0.413 245 R N 0.320 120.719 120.500 -0.168 0.000 2.081 245 R HA -0.218 4.120 4.340 -0.003 0.000 0.235 245 R C 1.909 178.162 176.300 -0.078 0.000 1.131 245 R CA 2.048 58.083 56.100 -0.108 0.000 0.960 245 R CB -0.478 29.777 30.300 -0.075 0.000 0.856 245 R HN 0.381 nan 8.270 nan 0.000 0.436 246 D N 0.230 120.591 120.400 -0.065 0.000 2.144 246 D HA -0.120 4.518 4.640 -0.003 0.000 0.200 246 D C 1.615 177.916 176.300 0.001 0.000 0.978 246 D CA 0.791 54.792 54.000 0.003 0.000 0.833 246 D CB 0.151 40.990 40.800 0.066 0.000 0.961 246 D HN -0.013 nan 8.370 nan 0.000 0.470 247 I N 0.405 120.841 120.570 -0.223 0.000 2.179 247 I HA -0.193 3.975 4.170 -0.003 0.000 0.242 247 I C 2.110 178.111 176.117 -0.193 0.000 1.088 247 I CA 1.019 62.048 61.300 -0.451 0.000 1.357 247 I CB -0.369 37.245 38.000 -0.643 0.000 1.051 247 I HN 0.177 nan 8.210 nan 0.000 0.409 248 L N -0.324 120.808 121.223 -0.151 0.000 2.275 248 L HA -0.115 4.223 4.340 -0.003 0.000 0.215 248 L C 2.438 179.264 176.870 -0.073 0.000 1.119 248 L CA 0.952 55.730 54.840 -0.102 0.000 0.790 248 L CB -0.642 41.379 42.059 -0.063 0.000 0.919 248 L HN 0.236 nan 8.230 nan 0.000 0.443 249 A N -0.211 122.587 122.820 -0.036 0.000 1.975 249 A HA 0.031 4.349 4.320 -0.003 0.000 0.215 249 A C 1.641 179.246 177.584 0.035 0.000 1.170 249 A CA 0.591 52.627 52.037 -0.001 0.000 0.656 249 A CB 0.068 19.072 19.000 0.006 0.000 0.821 249 A HN 0.310 nan 8.150 nan 0.000 0.449 250 R N -0.608 119.948 120.500 0.093 0.000 2.795 250 R HA 0.155 4.494 4.340 -0.003 0.000 0.320 250 R C -2.077 174.380 176.300 0.261 0.000 1.223 250 R CA -1.238 55.006 56.100 0.240 0.000 1.305 250 R CB 0.889 31.353 30.300 0.274 0.000 1.318 250 R HN 0.328 nan 8.270 nan 0.000 0.636 251 P HA -0.237 nan 4.420 nan 0.000 0.216 251 P C 1.211 178.496 177.300 -0.024 0.000 1.150 251 P CA 1.551 64.546 63.100 -0.174 0.000 0.843 251 P CB 0.373 31.491 31.700 -0.971 0.000 0.787 252 A N -0.829 121.932 122.820 -0.098 0.000 1.978 252 A HA -0.160 4.158 4.320 -0.003 0.000 0.220 252 A C 2.061 179.563 177.584 -0.136 0.000 1.170 252 A CA 1.315 53.282 52.037 -0.116 0.000 0.636 252 A CB -1.747 17.119 19.000 -0.224 0.000 0.810 252 A HN 0.086 nan 8.150 nan 0.000 0.448 253 F N -1.975 117.968 119.950 -0.011 0.000 2.234 253 F HA -0.085 4.440 4.527 -0.003 0.000 0.299 253 F C 2.079 177.797 175.800 -0.137 0.000 1.087 253 F CA 1.318 59.262 58.000 -0.092 0.000 1.340 253 F CB -0.527 38.370 39.000 -0.172 0.000 1.031 253 F HN 0.281 nan 8.300 nan 0.000 0.500 254 Y N -0.433 119.967 120.300 0.167 0.000 2.286 254 Y HA -0.093 4.455 4.550 -0.003 0.000 0.293 254 Y C 2.221 178.192 175.900 0.119 0.000 1.124 254 Y CA 0.890 59.068 58.100 0.129 0.000 1.178 254 Y CB -0.552 37.963 38.460 0.091 0.000 1.010 254 Y HN -0.041 nan 8.280 nan 0.000 0.536 255 L N -1.112 120.243 121.223 0.222 0.000 2.056 255 L HA -0.211 4.127 4.340 -0.003 0.000 0.207 255 L C 2.264 179.214 176.870 0.133 0.000 1.078 255 L CA 1.625 56.566 54.840 0.168 0.000 0.749 255 L CB -0.890 41.246 42.059 0.129 0.000 0.901 255 L HN 0.169 nan 8.230 nan 0.000 0.433 256 T N -0.029 114.570 114.554 0.075 0.000 2.746 256 T HA -0.151 4.197 4.350 -0.003 0.000 0.267 256 T C 2.035 176.785 174.700 0.084 0.000 1.039 256 T CA 1.286 63.416 62.100 0.049 0.000 1.142 256 T CB -0.222 68.630 68.868 -0.027 0.000 0.866 256 T HN 0.436 nan 8.240 nan 0.000 0.444 257 A N 1.082 123.956 122.820 0.091 0.000 1.908 257 A HA -0.122 4.196 4.320 -0.003 0.000 0.218 257 A C 2.566 180.245 177.584 0.158 0.000 1.181 257 A CA 2.217 54.311 52.037 0.094 0.000 0.627 257 A CB -1.054 17.981 19.000 0.060 0.000 0.818 257 A HN 0.472 nan 8.150 nan 0.000 0.445 258 S N -1.032 114.808 115.700 0.234 0.000 2.368 258 S HA -0.243 4.225 4.470 -0.003 0.000 0.224 258 S C 2.236 177.064 174.600 0.380 0.000 1.029 258 S CA 1.662 60.079 58.200 0.361 0.000 0.988 258 S CB -0.396 63.038 63.200 0.389 0.000 0.838 258 S HN 0.682 nan 8.310 nan 0.000 0.462 259 Q N 0.142 120.094 119.800 0.252 0.000 2.061 259 Q HA -0.197 4.141 4.340 -0.003 0.000 0.204 259 Q C 2.329 178.446 176.000 0.194 0.000 0.984 259 Q CA 1.852 57.785 55.803 0.217 0.000 0.846 259 Q CB -0.228 28.592 28.738 0.137 0.000 0.902 259 Q HN 0.694 nan 8.270 nan 0.000 0.421 260 Q N -0.228 119.647 119.800 0.124 0.000 2.079 260 Q HA -0.178 4.160 4.340 -0.003 0.000 0.200 260 Q C 2.187 178.183 176.000 -0.006 0.000 0.974 260 Q CA 1.310 57.149 55.803 0.061 0.000 0.840 260 Q CB -0.177 28.581 28.738 0.034 0.000 0.898 260 Q HN 0.291 nan 8.270 nan 0.000 0.430 261 R N -0.015 120.465 120.500 -0.034 0.000 2.081 261 R HA -0.181 4.157 4.340 -0.003 0.000 0.235 261 R C 1.599 177.524 176.300 -0.625 0.000 1.131 261 R CA 1.584 57.493 56.100 -0.318 0.000 0.960 261 R CB -0.135 30.026 30.300 -0.231 0.000 0.856 261 R HN 0.289 nan 8.270 nan 0.000 0.436 262 W N 0.940 122.138 121.300 -0.170 0.000 2.436 262 W HA -0.028 4.630 4.660 -0.003 0.000 0.284 262 W C 2.236 178.781 176.519 0.044 0.000 1.225 262 W CA 0.368 57.726 57.345 0.021 0.000 1.271 262 W CB 0.107 29.691 29.460 0.207 0.000 1.114 262 W HN 0.103 nan 8.180 nan 0.000 0.559 263 E N 0.254 120.575 120.200 0.202 0.000 2.110 263 E HA -0.235 4.113 4.350 -0.003 0.000 0.193 263 E C 1.796 178.447 176.600 0.084 0.000 0.988 263 E CA 1.427 57.920 56.400 0.156 0.000 0.804 263 E CB -0.439 29.329 29.700 0.114 0.000 0.745 263 E HN 0.512 nan 8.360 nan 0.000 0.458 264 E N -0.329 119.852 120.200 -0.033 0.000 2.072 264 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 264 E C 1.742 178.350 176.600 0.013 0.000 0.985 264 E CA 0.614 56.979 56.400 -0.058 0.000 0.801 264 E CB -0.043 29.562 29.700 -0.158 0.000 0.750 264 E HN 0.180 nan 8.360 nan 0.000 0.452 265 Y N 0.874 121.170 120.300 -0.007 0.000 2.128 265 Y HA -0.218 4.330 4.550 -0.003 0.000 0.284 265 Y C 2.238 178.147 175.900 0.016 0.000 1.154 265 Y CA 1.080 59.169 58.100 -0.018 0.000 1.149 265 Y CB -0.672 37.682 38.460 -0.176 0.000 0.976 265 Y HN 0.098 nan 8.280 nan 0.000 0.505 266 L N -0.552 120.805 121.223 0.223 0.000 2.056 266 L HA -0.195 4.143 4.340 -0.003 0.000 0.207 266 L C 2.451 179.408 176.870 0.145 0.000 1.078 266 L CA 1.524 56.456 54.840 0.152 0.000 0.749 266 L CB -0.525 41.654 42.059 0.200 0.000 0.901 266 L HN 0.062 nan 8.230 nan 0.000 0.433 267 K N 0.935 121.418 120.400 0.139 0.000 2.026 267 K HA -0.156 4.162 4.320 -0.003 0.000 0.208 267 K C 2.017 178.694 176.600 0.129 0.000 1.048 267 K CA 1.595 57.955 56.287 0.121 0.000 0.929 267 K CB -0.026 32.527 32.500 0.089 0.000 0.713 267 K HN 0.118 nan 8.250 nan 0.000 0.439 268 K N -1.226 119.255 120.400 0.136 0.000 2.103 268 K HA 0.014 4.332 4.320 -0.003 0.000 0.204 268 K C 2.111 178.847 176.600 0.227 0.000 1.052 268 K CA 1.238 57.615 56.287 0.151 0.000 0.945 268 K CB -0.167 32.412 32.500 0.132 0.000 0.722 268 K HN 0.337 nan 8.250 nan 0.000 0.443 269 G N 1.113 110.061 108.800 0.246 0.000 2.426 269 G HA2 -0.055 3.903 3.960 -0.003 0.000 0.214 269 G HA3 -0.055 3.903 3.960 -0.003 0.000 0.214 269 G C 0.742 175.886 174.900 0.407 0.000 1.156 269 G CA 0.007 45.305 45.100 0.330 0.000 0.802 269 G HN 0.069 nan 8.290 nan 0.000 0.534 270 L N 3.001 124.381 121.223 0.261 0.000 2.399 270 L HA 0.235 4.573 4.340 -0.003 0.000 0.257 270 L C 0.995 178.052 176.870 0.312 0.000 1.236 270 L CA -0.109 54.914 54.840 0.305 0.000 1.144 270 L CB 0.247 42.406 42.059 0.166 0.000 1.379 270 L HN 0.166 nan 8.230 nan 0.000 0.414 271 T N -3.651 111.091 114.554 0.314 0.000 3.215 271 T HA 0.095 4.443 4.350 -0.003 0.000 0.271 271 T C 0.521 175.243 174.700 0.036 0.000 1.012 271 T CA -0.497 61.697 62.100 0.155 0.000 0.899 271 T CB -0.232 68.712 68.868 0.126 0.000 1.089 271 T HN 0.237 nan 8.240 nan 0.000 0.552 272 N N 2.972 121.662 118.700 -0.017 0.000 2.699 272 N HA 0.297 5.035 4.740 -0.003 0.000 0.232 272 N C -1.540 173.942 175.510 -0.045 0.000 1.027 272 N CA -2.464 50.457 53.050 -0.214 0.000 0.920 272 N CB 1.742 39.786 38.487 -0.738 0.000 1.148 272 N HN 0.067 nan 8.380 nan 0.000 0.509 273 P HA -0.005 nan 4.420 nan 0.000 0.226 273 P C -0.179 177.129 177.300 0.013 0.000 1.153 273 P CA 0.830 63.945 63.100 0.026 0.000 0.777 273 P CB 0.597 32.309 31.700 0.020 0.000 0.794 274 D N -0.180 120.206 120.400 -0.023 0.000 2.339 274 D HA 0.153 4.791 4.640 -0.003 0.000 0.217 274 D C 0.905 177.195 176.300 -0.016 0.000 1.050 274 D CA 0.104 54.092 54.000 -0.020 0.000 0.856 274 D CB 0.321 41.100 40.800 -0.035 0.000 0.922 274 D HN 0.157 nan 8.370 nan 0.000 0.518 275 A N 1.150 123.969 122.820 -0.001 0.000 2.340 275 A HA 0.414 4.732 4.320 -0.003 0.000 0.268 275 A C 0.942 178.563 177.584 0.062 0.000 1.100 275 A CA -0.407 51.654 52.037 0.042 0.000 0.803 275 A CB 0.382 19.483 19.000 0.168 0.000 1.043 275 A HN 0.132 nan 8.150 nan 0.000 0.488 276 T N -0.122 114.440 114.554 0.013 0.000 2.788 276 T HA 0.377 4.726 4.350 -0.003 0.000 0.287 276 T C -1.976 172.775 174.700 0.084 0.000 1.007 276 T CA -1.167 60.946 62.100 0.022 0.000 1.005 276 T CB 0.550 69.398 68.868 -0.033 0.000 1.012 276 T HN 0.306 nan 8.240 nan 0.000 0.530 277 P HA -0.034 nan 4.420 nan 0.000 0.217 277 P C 1.235 178.629 177.300 0.157 0.000 1.150 277 P CA 0.907 64.085 63.100 0.129 0.000 0.832 277 P CB 0.051 31.808 31.700 0.095 0.000 0.787 278 E N -0.472 119.817 120.200 0.149 0.000 2.072 278 E HA -0.177 4.172 4.350 -0.003 0.000 0.191 278 E C 2.109 178.883 176.600 0.289 0.000 0.985 278 E CA 1.230 57.762 56.400 0.220 0.000 0.801 278 E CB -0.828 29.043 29.700 0.285 0.000 0.750 278 E HN 0.390 nan 8.360 nan 0.000 0.452 279 Q N -0.302 119.600 119.800 0.170 0.000 2.119 279 Q HA -0.067 4.272 4.340 -0.003 0.000 0.201 279 Q C 2.040 178.187 176.000 0.244 0.000 0.972 279 Q CA 1.662 57.548 55.803 0.138 0.000 0.847 279 Q CB -0.094 28.569 28.738 -0.125 0.000 0.903 279 Q HN 0.237 nan 8.270 nan 0.000 0.433 280 T N 0.727 115.401 114.554 0.200 0.000 2.788 280 T HA -0.162 4.186 4.350 -0.003 0.000 0.268 280 T C 1.673 176.335 174.700 -0.063 0.000 1.044 280 T CA 1.265 63.397 62.100 0.053 0.000 1.139 280 T CB -0.157 68.823 68.868 0.186 0.000 0.867 280 T HN 0.259 nan 8.240 nan 0.000 0.454 281 R N 0.761 121.315 120.500 0.089 0.000 2.120 281 R HA -0.060 4.278 4.340 -0.003 0.000 0.234 281 R C 2.181 178.496 176.300 0.025 0.000 1.123 281 R CA 0.987 57.131 56.100 0.074 0.000 0.975 281 R CB -0.444 29.958 30.300 0.170 0.000 0.866 281 R HN 0.226 nan 8.270 nan 0.000 0.446 282 V N 0.999 120.972 119.914 0.099 0.000 2.358 282 V HA -0.203 3.915 4.120 -0.003 0.000 0.246 282 V C 2.474 178.606 176.094 0.063 0.000 1.047 282 V CA 1.857 64.244 62.300 0.144 0.000 1.035 282 V CB -0.668 31.346 31.823 0.319 0.000 0.658 282 V HN 0.555 nan 8.190 nan 0.000 0.452 283 A N -0.137 122.630 122.820 -0.088 0.000 1.902 283 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 283 A C 2.381 179.841 177.584 -0.206 0.000 1.181 283 A CA 2.098 54.004 52.037 -0.219 0.000 0.623 283 A CB -0.674 17.780 19.000 -0.912 0.000 0.818 283 A HN 0.346 nan 8.150 nan 0.000 0.443 284 V N 0.262 120.002 119.914 -0.289 0.000 2.407 284 V HA -0.259 3.860 4.120 -0.003 0.000 0.248 284 V C 2.516 178.528 176.094 -0.138 0.000 1.055 284 V CA 2.317 64.431 62.300 -0.309 0.000 1.049 284 V CB -0.658 30.833 31.823 -0.553 0.000 0.662 284 V HN 0.685 nan 8.190 nan 0.000 0.455 285 K N 0.363 120.728 120.400 -0.058 0.000 2.097 285 K HA -0.178 4.140 4.320 -0.003 0.000 0.206 285 K C 2.194 178.808 176.600 0.023 0.000 1.049 285 K CA 1.524 57.822 56.287 0.017 0.000 0.933 285 K CB -0.296 32.238 32.500 0.057 0.000 0.717 285 K HN 0.431 nan 8.250 nan 0.000 0.442 286 A N 1.322 124.149 122.820 0.012 0.000 1.902 286 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 286 A C 2.066 179.598 177.584 -0.086 0.000 1.181 286 A CA 1.412 53.464 52.037 0.024 0.000 0.623 286 A CB -0.513 18.552 19.000 0.108 0.000 0.818 286 A HN 0.338 nan 8.150 nan 0.000 0.443 287 I N -0.598 119.802 120.570 -0.282 0.000 2.179 287 I HA -0.249 3.919 4.170 -0.003 0.000 0.242 287 I C 2.544 178.610 176.117 -0.086 0.000 1.088 287 I CA 1.543 62.513 61.300 -0.550 0.000 1.357 287 I CB -0.422 37.114 38.000 -0.772 0.000 1.051 287 I HN 0.427 nan 8.210 nan 0.000 0.409 288 E N 0.231 120.481 120.200 0.084 0.000 2.077 288 E HA -0.187 4.161 4.350 -0.003 0.000 0.193 288 E C 2.154 178.885 176.600 0.219 0.000 0.989 288 E CA 1.881 58.441 56.400 0.266 0.000 0.800 288 E CB -0.083 29.722 29.700 0.175 0.000 0.746 288 E HN 0.488 nan 8.360 nan 0.000 0.452 289 T N 1.553 116.182 114.554 0.126 0.000 2.674 289 T HA -0.123 4.226 4.350 -0.003 0.000 0.265 289 T C 2.023 176.775 174.700 0.087 0.000 1.039 289 T CA 0.833 62.996 62.100 0.105 0.000 1.150 289 T CB -0.244 68.668 68.868 0.073 0.000 0.864 289 T HN 0.067 nan 8.240 nan 0.000 0.427 290 L N 1.140 122.412 121.223 0.082 0.000 2.046 290 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 290 L C 2.542 179.479 176.870 0.112 0.000 1.077 290 L CA 1.001 55.888 54.840 0.077 0.000 0.747 290 L CB -0.563 41.580 42.059 0.139 0.000 0.896 290 L HN 0.188 nan 8.230 nan 0.000 0.432 291 N N 0.163 118.961 118.700 0.163 0.000 2.309 291 N HA -0.105 4.633 4.740 -0.003 0.000 0.182 291 N C 1.789 177.467 175.510 0.279 0.000 1.018 291 N CA 1.330 54.532 53.050 0.253 0.000 0.876 291 N CB -0.379 38.212 38.487 0.173 0.000 0.972 291 N HN 0.351 nan 8.380 nan 0.000 0.434 292 G N 0.204 109.124 108.800 0.200 0.000 2.511 292 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.217 292 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.217 292 G C 1.301 176.153 174.900 -0.080 0.000 1.133 292 G CA 0.213 45.373 45.100 0.099 0.000 0.792 292 G HN 0.256 nan 8.290 nan 0.000 0.539 293 N N -0.527 118.153 118.700 -0.033 0.000 2.336 293 N HA 0.057 4.795 4.740 -0.003 0.000 0.189 293 N C -0.070 175.413 175.510 -0.046 0.000 1.113 293 N CA -0.392 52.591 53.050 -0.112 0.000 0.858 293 N CB 0.119 38.556 38.487 -0.083 0.000 0.970 293 N HN 0.519 nan 8.380 nan 0.000 0.471 294 W N 3.139 124.328 121.300 -0.186 0.000 2.287 294 W HA 0.350 5.008 4.660 -0.003 0.000 0.313 294 W C -0.520 175.876 176.519 -0.206 0.000 1.267 294 W CA -0.831 56.419 57.345 -0.159 0.000 1.201 294 W CB 0.483 29.870 29.460 -0.123 0.000 1.196 294 W HN -0.232 nan 8.180 nan 0.000 0.536 295 R N 4.644 125.188 120.500 0.073 0.000 2.670 295 R HA 0.353 4.691 4.340 -0.003 0.000 0.289 295 R C 0.115 176.526 176.300 0.186 0.000 0.965 295 R CA -0.686 55.302 56.100 -0.187 0.000 0.899 295 R CB 1.665 31.769 30.300 -0.326 0.000 1.173 295 R HN 0.713 nan 8.270 nan 0.000 0.456 296 S N 1.970 117.801 115.700 0.218 0.000 2.634 296 S HA 0.409 4.877 4.470 -0.003 0.000 0.261 296 S C -2.324 172.549 174.600 0.455 0.000 1.271 296 S CA -1.206 57.220 58.200 0.377 0.000 0.985 296 S CB 0.393 63.781 63.200 0.313 0.000 0.968 296 S HN 0.256 nan 8.310 nan 0.000 0.568 297 P HA 0.351 nan 4.420 nan 0.000 0.265 297 P C -0.159 177.186 177.300 0.074 0.000 1.187 297 P CA 0.483 63.682 63.100 0.165 0.000 0.766 297 P CB 0.175 31.895 31.700 0.034 0.000 0.820 298 G N 0.928 109.663 108.800 -0.109 0.000 2.761 298 G HA2 0.526 4.485 3.960 -0.003 0.000 0.296 298 G HA3 0.526 4.485 3.960 -0.003 0.000 0.296 298 G C -0.084 174.043 174.900 -1.289 0.000 1.416 298 G CA 0.179 44.832 45.100 -0.744 0.000 1.105 298 G HN 0.791 nan 8.290 nan 0.000 0.565 299 G N 1.089 108.598 108.800 -2.150 0.000 2.583 299 G HA2 0.107 4.065 3.960 -0.003 0.000 0.292 299 G HA3 0.107 4.065 3.960 -0.003 0.000 0.292 299 G C 1.634 176.158 174.900 -0.628 0.000 1.203 299 G CA 1.616 45.659 45.100 -1.762 0.000 0.987 299 G HN 2.146 nan 8.290 nan 0.000 0.554 300 A N -0.848 121.777 122.820 -0.325 0.000 2.119 300 A HA 0.460 4.778 4.320 -0.003 0.000 0.217 300 A C 1.334 179.109 177.584 0.317 0.000 1.153 300 A CA 1.938 54.002 52.037 0.044 0.000 0.692 300 A CB -0.148 18.825 19.000 -0.046 0.000 0.799 300 A HN 1.487 nan 8.150 nan 0.000 0.458 301 V N 1.765 121.781 119.914 0.168 0.000 2.353 301 V HA 0.125 4.243 4.120 -0.003 0.000 0.264 301 V C 0.514 176.707 176.094 0.165 0.000 1.049 301 V CA -0.348 62.132 62.300 0.300 0.000 0.896 301 V CB 1.028 32.996 31.823 0.242 0.000 1.025 301 V HN 0.272 nan 8.190 nan 0.000 0.475 302 K N 3.848 124.351 120.400 0.172 0.000 2.458 302 K HA 0.286 4.604 4.320 -0.003 0.000 0.194 302 K C -0.361 176.018 176.600 -0.368 0.000 1.024 302 K CA 0.359 56.565 56.287 -0.136 0.000 1.108 302 K CB -0.009 32.328 32.500 -0.273 0.000 0.846 302 K HN 0.496 nan 8.250 nan 0.000 0.518 303 F N 0.239 120.259 119.950 0.116 0.000 2.611 303 F HA 0.303 4.828 4.527 -0.003 0.000 0.324 303 F C 0.817 176.711 175.800 0.158 0.000 1.061 303 F CA -1.152 56.921 58.000 0.122 0.000 0.954 303 F CB 0.829 39.898 39.000 0.114 0.000 1.301 303 F HN -0.210 nan 8.300 nan 0.000 0.482 304 N N 0.637 119.562 118.700 0.374 0.000 2.453 304 N HA 0.238 4.977 4.740 -0.003 0.000 0.253 304 N C -0.369 175.308 175.510 0.278 0.000 1.252 304 N CA 0.537 53.801 53.050 0.357 0.000 0.917 304 N CB 1.409 40.103 38.487 0.344 0.000 1.117 304 N HN 0.613 nan 8.380 nan 0.000 0.442 305 T N -0.316 114.401 114.554 0.271 0.000 2.754 305 T HA 0.511 4.859 4.350 -0.003 0.000 0.296 305 T C -1.602 173.180 174.700 0.136 0.000 1.205 305 T CA -0.512 61.680 62.100 0.153 0.000 1.009 305 T CB 1.103 70.054 68.868 0.138 0.000 1.368 305 T HN 0.045 nan 8.240 nan 0.000 0.509 306 V N 2.584 122.526 119.914 0.047 0.000 2.577 306 V HA 0.616 4.734 4.120 -0.003 0.000 0.303 306 V C 0.450 176.541 176.094 -0.005 0.000 1.042 306 V CA -0.720 61.591 62.300 0.019 0.000 0.872 306 V CB 1.609 33.412 31.823 -0.033 0.000 0.998 306 V HN 1.136 nan 8.190 nan 0.000 0.423 307 T N 2.218 116.760 114.554 -0.019 0.000 2.912 307 T HA 0.483 4.831 4.350 -0.003 0.000 0.280 307 T C -1.998 172.649 174.700 -0.088 0.000 0.989 307 T CA -2.074 60.036 62.100 0.017 0.000 0.995 307 T CB 2.070 70.969 68.868 0.051 0.000 1.077 307 T HN 0.376 nan 8.240 nan 0.000 0.531 308 P HA 0.099 nan 4.420 nan 0.000 0.220 308 P C 0.141 177.287 177.300 -0.258 0.000 1.148 308 P CA 0.729 63.536 63.100 -0.488 0.000 0.803 308 P CB 0.232 31.299 31.700 -1.055 0.000 0.782 309 S N -2.245 113.455 115.700 -0.000 0.000 2.561 309 S HA 0.119 4.587 4.470 -0.003 0.000 0.292 309 S C 0.266 174.874 174.600 0.014 0.000 1.107 309 S CA -0.626 57.608 58.200 0.056 0.000 0.969 309 S CB 0.535 63.857 63.200 0.204 0.000 1.150 309 S HN -0.193 nan 8.310 nan 0.000 0.451 310 V N 4.961 124.801 119.914 -0.124 0.000 2.720 310 V HA -0.022 4.096 4.120 -0.003 0.000 0.256 310 V C 1.985 177.972 176.094 -0.179 0.000 1.082 310 V CA 2.796 64.920 62.300 -0.293 0.000 1.101 310 V CB -0.469 30.968 31.823 -0.643 0.000 0.693 310 V HN 1.048 nan 8.190 nan 0.000 0.479 311 T N -2.495 112.031 114.554 -0.047 0.000 3.069 311 T HA 0.318 4.666 4.350 -0.003 0.000 0.252 311 T C 0.960 175.673 174.700 0.021 0.000 1.053 311 T CA 0.347 62.456 62.100 0.014 0.000 0.964 311 T CB 0.009 68.926 68.868 0.082 0.000 1.005 311 T HN 0.558 nan 8.240 nan 0.000 0.532 312 G N 1.351 110.171 108.800 0.035 0.000 2.483 312 G HA2 0.348 4.307 3.960 -0.003 0.000 0.248 312 G HA3 0.348 4.307 3.960 -0.003 0.000 0.248 312 G C 0.785 175.657 174.900 -0.046 0.000 1.248 312 G CA -0.705 44.423 45.100 0.048 0.000 0.838 312 G HN 0.208 nan 8.290 nan 0.000 0.566 313 R N 1.020 121.432 120.500 -0.147 0.000 2.081 313 R HA -0.066 4.272 4.340 -0.003 0.000 0.235 313 R C 1.139 177.003 176.300 -0.727 0.000 1.131 313 R CA 1.726 57.420 56.100 -0.675 0.000 0.960 313 R CB -0.226 29.413 30.300 -1.103 0.000 0.856 313 R HN 0.745 nan 8.270 nan 0.000 0.436 314 W N -2.178 119.025 121.300 -0.162 0.000 2.702 314 W HA 0.305 4.963 4.660 -0.004 0.000 0.369 314 W C -0.051 176.607 176.519 0.231 0.000 0.987 314 W CA -0.745 56.609 57.345 0.016 0.000 1.702 314 W CB 0.585 30.013 29.460 -0.053 0.000 1.138 314 W HN -0.098 nan 8.180 nan 0.000 0.552 315 F N -0.704 119.427 119.950 0.301 0.000 2.661 315 F HA 0.327 4.852 4.527 -0.003 0.000 0.306 315 F C 1.391 177.268 175.800 0.129 0.000 1.094 315 F CA -0.836 57.315 58.000 0.252 0.000 1.254 315 F CB -0.578 38.474 39.000 0.087 0.000 1.040 315 F HN -0.326 nan 8.300 nan 0.000 0.562 316 S N -0.782 115.033 115.700 0.192 0.000 2.552 316 S HA 0.657 5.126 4.470 -0.003 0.000 0.271 316 S C 1.129 175.693 174.600 -0.060 0.000 1.168 316 S CA 0.355 58.556 58.200 0.003 0.000 1.026 316 S CB 0.351 63.519 63.200 -0.052 0.000 1.120 316 S HN 0.599 nan 8.310 nan 0.000 0.514 317 G N 1.906 110.614 108.800 -0.153 0.000 2.574 317 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.286 317 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.286 317 G C -0.044 174.751 174.900 -0.175 0.000 1.212 317 G CA 0.593 45.638 45.100 -0.091 0.000 0.979 317 G HN 1.222 nan 8.290 nan 0.000 0.557 318 N N 0.711 119.491 118.700 0.132 0.000 2.401 318 N HA 0.154 4.892 4.740 -0.003 0.000 0.264 318 N C 0.305 175.877 175.510 0.103 0.000 1.238 318 N CA 0.159 53.286 53.050 0.128 0.000 0.889 318 N CB 0.267 38.996 38.487 0.404 0.000 1.196 318 N HN 0.816 nan 8.380 nan 0.000 0.511 319 Q N 0.591 120.433 119.800 0.070 0.000 2.274 319 Q HA 0.157 4.495 4.340 -0.003 0.000 0.280 319 Q C -0.538 175.457 176.000 -0.008 0.000 1.047 319 Q CA 0.715 56.495 55.803 -0.039 0.000 0.907 319 Q CB 0.479 29.241 28.738 0.040 0.000 1.171 319 Q HN 0.206 nan 8.270 nan 0.000 0.381 320 T N 2.825 117.232 114.554 -0.245 0.000 2.861 320 T HA 0.443 4.791 4.350 -0.003 0.000 0.287 320 T C -0.912 173.624 174.700 -0.273 0.000 1.003 320 T CA -0.746 61.294 62.100 -0.100 0.000 0.977 320 T CB 1.033 69.835 68.868 -0.111 0.000 0.996 320 T HN 0.420 nan 8.240 nan 0.000 0.448 321 W N 2.259 123.444 121.300 -0.192 0.000 2.689 321 W HA 0.286 4.944 4.660 -0.003 0.000 0.340 321 W C -2.175 174.146 176.519 -0.329 0.000 1.060 321 W CA -2.361 54.868 57.345 -0.193 0.000 1.218 321 W CB 1.912 31.340 29.460 -0.053 0.000 1.410 321 W HN 0.487 nan 8.180 nan 0.000 0.528 322 P HA -0.185 nan 4.420 nan 0.000 0.214 322 P C 1.803 178.568 177.300 -0.893 0.000 1.162 322 P CA 1.854 64.522 63.100 -0.720 0.000 0.874 322 P CB 0.221 31.733 31.700 -0.314 0.000 0.784 323 W N 1.201 122.279 121.300 -0.369 0.000 2.301 323 W HA -0.283 4.375 4.660 -0.004 0.000 0.325 323 W C 1.381 177.833 176.519 -0.111 0.000 1.250 323 W CA 1.638 58.906 57.345 -0.129 0.000 1.261 323 W CB -0.481 29.011 29.460 0.054 0.000 1.157 323 W HN -0.043 nan 8.180 nan 0.000 0.473 324 D N -0.589 119.874 120.400 0.106 0.000 2.117 324 D HA -0.192 4.446 4.640 -0.003 0.000 0.197 324 D C 2.096 178.362 176.300 -0.058 0.000 0.987 324 D CA 2.372 56.413 54.000 0.068 0.000 0.829 324 D CB -0.852 39.991 40.800 0.072 0.000 0.961 324 D HN 0.027 nan 8.370 nan 0.000 0.460 325 T N -0.310 114.123 114.554 -0.202 0.000 2.746 325 T HA -0.169 4.179 4.350 -0.003 0.000 0.267 325 T C 1.616 176.330 174.700 0.024 0.000 1.039 325 T CA 1.119 63.090 62.100 -0.215 0.000 1.142 325 T CB -0.517 68.078 68.868 -0.454 0.000 0.866 325 T HN 0.384 nan 8.240 nan 0.000 0.444 326 W N 1.592 123.017 121.300 0.209 0.000 2.335 326 W HA -0.101 4.557 4.660 -0.003 0.000 0.311 326 W C 2.491 179.215 176.519 0.341 0.000 1.213 326 W CA 0.334 57.873 57.345 0.323 0.000 1.274 326 W CB -0.199 29.536 29.460 0.459 0.000 1.148 326 W HN 0.214 nan 8.180 nan 0.000 0.498 327 K N 0.580 121.230 120.400 0.416 0.000 2.057 327 K HA -0.162 4.156 4.320 -0.003 0.000 0.206 327 K C 1.980 178.624 176.600 0.074 0.000 1.050 327 K CA 1.488 57.920 56.287 0.242 0.000 0.935 327 K CB -0.486 32.022 32.500 0.014 0.000 0.715 327 K HN 0.239 nan 8.250 nan 0.000 0.439 328 Q N 0.441 120.266 119.800 0.041 0.000 2.050 328 Q HA -0.140 4.198 4.340 -0.003 0.000 0.202 328 Q C 2.230 178.194 176.000 -0.059 0.000 0.980 328 Q CA 1.690 57.474 55.803 -0.032 0.000 0.840 328 Q CB -0.226 28.477 28.738 -0.059 0.000 0.898 328 Q HN 0.370 nan 8.270 nan 0.000 0.424 329 A N 0.160 122.983 122.820 0.004 0.000 1.969 329 A HA -0.158 4.160 4.320 -0.003 0.000 0.218 329 A C 1.840 179.363 177.584 -0.102 0.000 1.169 329 A CA 0.793 52.794 52.037 -0.060 0.000 0.635 329 A CB -0.698 18.342 19.000 0.067 0.000 0.810 329 A HN 0.443 nan 8.150 nan 0.000 0.445 330 F N 0.933 120.773 119.950 -0.184 0.000 2.095 330 F HA -0.137 4.388 4.527 -0.003 0.000 0.298 330 F C 2.486 178.193 175.800 -0.155 0.000 1.104 330 F CA 1.524 59.339 58.000 -0.309 0.000 1.232 330 F CB -0.212 38.450 39.000 -0.564 0.000 0.987 330 F HN 0.255 nan 8.300 nan 0.000 0.475 331 A N 0.121 122.986 122.820 0.076 0.000 1.874 331 A HA -0.120 4.198 4.320 -0.003 0.000 0.214 331 A C 2.216 179.680 177.584 -0.201 0.000 1.189 331 A CA 1.493 53.585 52.037 0.092 0.000 0.615 331 A CB -0.751 18.306 19.000 0.096 0.000 0.830 331 A HN 0.452 nan 8.150 nan 0.000 0.443 332 M N -0.161 119.164 119.600 -0.457 0.000 2.446 332 M HA -0.111 4.367 4.480 -0.003 0.000 0.263 332 M C 2.285 178.074 176.300 -0.851 0.000 1.066 332 M CA 0.929 55.616 55.300 -1.022 0.000 1.087 332 M CB -0.358 31.753 32.600 -0.815 0.000 1.406 332 M HN 0.501 nan 8.290 nan 0.000 0.459 333 A N -0.418 122.059 122.820 -0.571 0.000 2.024 333 A HA -0.192 4.126 4.320 -0.003 0.000 0.220 333 A C 1.429 178.652 177.584 -0.601 0.000 1.164 333 A CA 1.625 53.303 52.037 -0.599 0.000 0.643 333 A CB -0.984 17.628 19.000 -0.647 0.000 0.806 333 A HN 0.540 nan 8.150 nan 0.000 0.451 334 H N -2.409 116.452 119.070 -0.348 0.000 2.547 334 H HA 0.216 4.771 4.556 -0.003 0.000 0.266 334 H C 0.994 176.318 175.328 -0.007 0.000 0.988 334 H CA 1.369 57.349 56.048 -0.112 0.000 1.147 334 H CB 0.060 29.909 29.762 0.146 0.000 1.365 334 H HN 0.805 nan 8.280 nan 0.000 0.589 335 F N -4.059 115.788 119.950 -0.173 0.000 2.801 335 F HA 0.317 4.842 4.527 -0.003 0.000 0.381 335 F C -0.019 175.705 175.800 -0.127 0.000 0.861 335 F CA -0.620 57.295 58.000 -0.140 0.000 1.039 335 F CB 0.609 39.478 39.000 -0.217 0.000 1.041 335 F HN -0.169 nan 8.300 nan 0.000 0.596 336 N N 2.800 121.056 118.700 -0.740 0.000 2.703 336 N HA 0.331 5.069 4.740 -0.003 0.000 0.283 336 N C -2.100 173.057 175.510 -0.588 0.000 1.851 336 N CA -2.273 50.453 53.050 -0.541 0.000 0.826 336 N CB 0.761 38.793 38.487 -0.759 0.000 1.239 336 N HN 0.010 nan 8.380 nan 0.000 0.495 337 P HA -0.092 nan 4.420 nan 0.000 0.218 337 P C 0.480 177.511 177.300 -0.449 0.000 1.148 337 P CA 1.035 63.851 63.100 -0.473 0.000 0.822 337 P CB 0.638 32.091 31.700 -0.412 0.000 0.784 338 D N -0.068 120.111 120.400 -0.368 0.000 2.123 338 D HA -0.121 4.518 4.640 -0.003 0.000 0.196 338 D C 1.961 178.045 176.300 -0.359 0.000 0.992 338 D CA 0.960 54.771 54.000 -0.314 0.000 0.833 338 D CB -0.413 40.248 40.800 -0.232 0.000 0.954 338 D HN 0.141 nan 8.370 nan 0.000 0.455 339 I N 0.654 120.925 120.570 -0.497 0.000 2.716 339 I HA -0.017 4.151 4.170 -0.003 0.000 0.259 339 I C 2.333 178.197 176.117 -0.423 0.000 1.172 339 I CA 0.280 61.239 61.300 -0.569 0.000 1.478 339 I CB -1.250 36.143 38.000 -1.012 0.000 1.104 339 I HN -0.141 nan 8.210 nan 0.000 0.439 340 A N 1.222 123.773 122.820 -0.448 0.000 1.902 340 A HA -0.207 4.111 4.320 -0.003 0.000 0.217 340 A C 2.379 179.799 177.584 -0.273 0.000 1.181 340 A CA 1.484 53.305 52.037 -0.359 0.000 0.623 340 A CB -0.426 18.314 19.000 -0.433 0.000 0.818 340 A HN 0.310 nan 8.150 nan 0.000 0.443 341 K N -0.533 119.623 120.400 -0.406 0.000 2.026 341 K HA -0.134 4.184 4.320 -0.003 0.000 0.208 341 K C 2.040 178.609 176.600 -0.051 0.000 1.048 341 K CA 1.367 57.398 56.287 -0.427 0.000 0.929 341 K CB -0.164 31.942 32.500 -0.657 0.000 0.713 341 K HN 0.414 nan 8.250 nan 0.000 0.439 342 E N 0.921 121.076 120.200 -0.075 0.000 2.085 342 E HA -0.208 4.140 4.350 -0.003 0.000 0.194 342 E C 1.834 178.456 176.600 0.037 0.000 0.994 342 E CA 1.026 57.449 56.400 0.039 0.000 0.801 342 E CB -0.357 29.377 29.700 0.056 0.000 0.743 342 E HN 0.238 nan 8.360 nan 0.000 0.453 343 N N 1.193 119.887 118.700 -0.011 0.000 2.104 343 N HA -0.137 4.601 4.740 -0.003 0.000 0.190 343 N C 1.873 177.409 175.510 0.042 0.000 1.024 343 N CA 1.023 54.074 53.050 0.002 0.000 0.853 343 N CB -0.304 38.151 38.487 -0.053 0.000 1.008 343 N HN 0.150 nan 8.380 nan 0.000 0.424 344 I N 0.190 120.849 120.570 0.148 0.000 2.252 344 I HA -0.191 3.977 4.170 -0.003 0.000 0.245 344 I C 2.354 178.636 176.117 0.275 0.000 1.102 344 I CA 0.763 62.272 61.300 0.348 0.000 1.385 344 I CB -0.162 38.194 38.000 0.594 0.000 1.064 344 I HN 0.146 nan 8.210 nan 0.000 0.414 345 R N 0.720 121.273 120.500 0.088 0.000 2.096 345 R HA -0.134 4.204 4.340 -0.003 0.000 0.235 345 R C 2.453 178.495 176.300 -0.430 0.000 1.127 345 R CA 1.396 57.336 56.100 -0.266 0.000 0.968 345 R CB -0.463 29.443 30.300 -0.657 0.000 0.861 345 R HN 0.361 nan 8.270 nan 0.000 0.440 346 A N 0.803 123.493 122.820 -0.216 0.000 1.883 346 A HA -0.138 4.180 4.320 -0.003 0.000 0.217 346 A C 2.376 179.966 177.584 0.010 0.000 1.186 346 A CA 1.551 53.592 52.037 0.006 0.000 0.624 346 A CB -0.643 18.430 19.000 0.121 0.000 0.822 346 A HN 0.115 nan 8.150 nan 0.000 0.444 347 V N -1.476 118.387 119.914 -0.085 0.000 2.295 347 V HA -0.235 3.883 4.120 -0.003 0.000 0.246 347 V C 2.253 178.208 176.094 -0.231 0.000 1.049 347 V CA 2.062 64.220 62.300 -0.236 0.000 1.024 347 V CB -0.915 30.639 31.823 -0.448 0.000 0.648 347 V HN 0.553 nan 8.190 nan 0.000 0.447 348 F N 1.041 120.955 119.950 -0.060 0.000 2.661 348 F HA -0.065 4.460 4.527 -0.003 0.000 0.298 348 F C 2.611 178.349 175.800 -0.103 0.000 1.137 348 F CA 1.017 58.963 58.000 -0.089 0.000 1.454 348 F CB -0.646 38.301 39.000 -0.089 0.000 1.103 348 F HN 0.256 nan 8.300 nan 0.000 0.577 349 S N -1.710 114.018 115.700 0.047 0.000 2.442 349 S HA -0.228 4.240 4.470 -0.003 0.000 0.236 349 S C 1.210 175.704 174.600 -0.176 0.000 1.007 349 S CA 0.732 58.916 58.200 -0.026 0.000 0.965 349 S CB -0.732 62.536 63.200 0.114 0.000 0.773 349 S HN 0.508 nan 8.310 nan 0.000 0.504 350 W N 2.091 123.428 121.300 0.062 0.000 2.926 350 W HA 0.467 5.125 4.660 -0.003 0.000 0.419 350 W C 0.563 177.097 176.519 0.023 0.000 0.993 350 W CA -0.950 56.453 57.345 0.097 0.000 2.025 350 W CB 0.051 29.619 29.460 0.180 0.000 1.152 350 W HN 0.303 nan 8.180 nan 0.000 0.659 351 Q N 1.129 120.990 119.800 0.101 0.000 2.364 351 Q HA 0.128 4.466 4.340 -0.003 0.000 0.267 351 Q C 0.029 176.082 176.000 0.089 0.000 0.999 351 Q CA -0.171 55.650 55.803 0.029 0.000 0.886 351 Q CB 0.677 29.468 28.738 0.088 0.000 1.243 351 Q HN -0.023 nan 8.270 nan 0.000 0.415 352 I N 4.233 124.865 120.570 0.104 0.000 2.618 352 I HA -0.054 4.114 4.170 -0.003 0.000 0.284 352 I C 0.280 176.459 176.117 0.103 0.000 1.146 352 I CA 0.641 62.026 61.300 0.141 0.000 1.425 352 I CB 0.644 38.750 38.000 0.177 0.000 1.383 352 I HN 0.549 nan 8.210 nan 0.000 0.562 353 Q N 7.113 126.965 119.800 0.086 0.000 2.248 353 Q HA 0.517 4.855 4.340 -0.003 0.000 0.263 353 Q C -2.309 173.730 176.000 0.065 0.000 1.007 353 Q CA -2.197 53.643 55.803 0.062 0.000 0.877 353 Q CB 0.773 29.530 28.738 0.032 0.000 1.315 353 Q HN 0.277 nan 8.270 nan 0.000 0.454 354 P HA 0.039 nan 4.420 nan 0.000 0.264 354 P C 0.451 177.777 177.300 0.043 0.000 1.183 354 P CA 1.146 64.278 63.100 0.053 0.000 0.763 354 P CB 0.277 32.003 31.700 0.043 0.000 0.807 355 G N 1.916 110.742 108.800 0.044 0.000 2.159 355 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.256 355 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.256 355 G C 0.153 175.078 174.900 0.042 0.000 0.977 355 G CA 0.056 45.178 45.100 0.036 0.000 0.652 355 G HN 0.665 nan 8.290 nan 0.000 0.531 356 D N 0.486 120.919 120.400 0.056 0.000 2.571 356 D HA 0.337 4.975 4.640 -0.003 0.000 0.231 356 D C 1.930 178.264 176.300 0.057 0.000 1.133 356 D CA 1.147 55.188 54.000 0.068 0.000 0.862 356 D CB 0.607 41.463 40.800 0.093 0.000 1.179 356 D HN 0.450 nan 8.370 nan 0.000 0.474 357 S N 1.669 117.403 115.700 0.056 0.000 2.447 357 S HA -0.105 4.363 4.470 -0.003 0.000 0.233 357 S C 1.487 176.111 174.600 0.039 0.000 1.006 357 S CA 0.786 59.010 58.200 0.041 0.000 0.957 357 S CB 0.106 63.327 63.200 0.036 0.000 0.773 357 S HN 0.365 nan 8.310 nan 0.000 0.507 358 V N 1.603 121.547 119.914 0.051 0.000 2.806 358 V HA 0.248 4.367 4.120 -0.003 0.000 0.239 358 V C 1.191 177.308 176.094 0.038 0.000 1.113 358 V CA 0.817 63.143 62.300 0.042 0.000 1.137 358 V CB -0.278 31.576 31.823 0.052 0.000 0.865 358 V HN 0.643 nan 8.190 nan 0.000 0.482 359 R N 1.021 121.551 120.500 0.050 0.000 2.644 359 R HA 0.318 4.656 4.340 -0.003 0.000 0.271 359 R C -2.440 173.891 176.300 0.052 0.000 1.687 359 R CA -1.350 54.770 56.100 0.033 0.000 1.655 359 R CB 0.528 30.826 30.300 -0.004 0.000 1.285 359 R HN 0.213 nan 8.270 nan 0.000 0.643 360 P HA -0.217 nan 4.420 nan 0.000 0.228 360 P C 0.706 178.046 177.300 0.066 0.000 1.151 360 P CA 1.042 64.176 63.100 0.058 0.000 0.770 360 P CB 0.403 32.129 31.700 0.043 0.000 0.786 361 Q N -0.657 119.178 119.800 0.057 0.000 2.403 361 Q HA -0.009 4.329 4.340 -0.003 0.000 0.203 361 Q C 0.151 176.226 176.000 0.125 0.000 0.932 361 Q CA 0.899 56.740 55.803 0.063 0.000 0.945 361 Q CB -0.496 28.258 28.738 0.026 0.000 1.045 361 Q HN 0.186 nan 8.270 nan 0.000 0.511 362 D N 1.240 121.729 120.400 0.149 0.000 2.643 362 D HA 0.176 4.814 4.640 -0.003 0.000 0.244 362 D C -0.482 175.980 176.300 0.270 0.000 1.257 362 D CA -0.265 53.896 54.000 0.268 0.000 0.831 362 D CB 0.938 41.754 40.800 0.028 0.000 1.043 362 D HN -0.029 nan 8.370 nan 0.000 0.488 363 V N 0.467 120.532 119.914 0.251 0.000 2.584 363 V HA 0.218 4.336 4.120 -0.003 0.000 0.303 363 V C 1.725 177.982 176.094 0.271 0.000 1.035 363 V CA 1.492 63.918 62.300 0.209 0.000 1.172 363 V CB 0.739 32.660 31.823 0.164 0.000 0.896 363 V HN 0.608 nan 8.190 nan 0.000 0.486 364 G N 4.659 113.565 108.800 0.176 0.000 2.234 364 G HA2 -0.275 3.684 3.960 -0.003 0.000 0.235 364 G HA3 -0.275 3.684 3.960 -0.003 0.000 0.235 364 G C 0.110 175.015 174.900 0.007 0.000 0.997 364 G CA 0.117 45.335 45.100 0.197 0.000 0.623 364 G HN 0.868 nan 8.290 nan 0.000 0.514 365 F N 2.197 121.820 119.950 -0.544 0.000 2.572 365 F HA 0.492 5.017 4.527 -0.003 0.000 0.370 365 F C 0.418 175.871 175.800 -0.579 0.000 1.103 365 F CA -0.080 57.278 58.000 -1.070 0.000 1.286 365 F CB 0.976 39.317 39.000 -1.097 0.000 1.105 365 F HN 0.084 nan 8.300 nan 0.000 0.583 366 V N 8.138 127.197 119.914 -1.424 0.000 2.357 366 V HA 0.301 4.419 4.120 -0.003 0.000 0.284 366 V C -2.110 173.132 176.094 -1.420 0.000 1.018 366 V CA -2.023 59.573 62.300 -1.174 0.000 0.841 366 V CB 1.262 32.368 31.823 -1.194 0.000 0.991 366 V HN 0.680 nan 8.190 nan 0.000 0.437 367 P HA 0.004 nan 4.420 nan 0.000 0.265 367 P C 0.499 177.470 177.300 -0.548 0.000 1.187 367 P CA 0.268 62.975 63.100 -0.655 0.000 0.766 367 P CB 0.721 32.175 31.700 -0.410 0.000 0.820 368 D N 2.973 123.172 120.400 -0.335 0.000 2.144 368 D HA -0.066 4.573 4.640 -0.003 0.000 0.200 368 D C 0.057 176.059 176.300 -0.496 0.000 0.978 368 D CA 1.248 55.119 54.000 -0.215 0.000 0.833 368 D CB 0.063 40.878 40.800 0.025 0.000 0.961 368 D HN 0.183 nan 8.370 nan 0.000 0.470 369 L N 0.536 121.353 121.223 -0.677 0.000 2.516 369 L HA 0.357 4.695 4.340 -0.003 0.000 0.267 369 L C -1.492 174.704 176.870 -1.123 0.000 0.957 369 L CA -1.000 53.232 54.840 -1.012 0.000 0.860 369 L CB 1.411 42.869 42.059 -1.003 0.000 1.265 369 L HN -0.024 nan 8.230 nan 0.000 0.403 370 I N 3.053 122.970 120.570 -1.089 0.000 2.693 370 I HA 1.048 5.216 4.170 -0.003 0.000 0.303 370 I C -0.310 175.426 176.117 -0.634 0.000 1.025 370 I CA -0.271 60.207 61.300 -1.371 0.000 1.086 370 I CB 1.887 39.204 38.000 -1.137 0.000 1.268 370 I HN 0.590 nan 8.210 nan 0.000 0.440 371 A N 3.460 126.129 122.820 -0.252 0.000 2.536 371 A HA 0.326 4.644 4.320 -0.003 0.000 0.293 371 A C -0.094 177.661 177.584 0.285 0.000 1.119 371 A CA -0.551 51.531 52.037 0.075 0.000 0.654 371 A CB -0.141 18.896 19.000 0.062 0.000 1.291 371 A HN 0.998 nan 8.150 nan 0.000 0.439 372 W N 1.256 122.630 121.300 0.123 0.000 2.304 372 W HA -0.114 4.544 4.660 -0.003 0.000 0.315 372 W C -0.314 176.233 176.519 0.047 0.000 1.233 372 W CA 2.193 59.594 57.345 0.092 0.000 1.261 372 W CB -0.162 29.331 29.460 0.055 0.000 1.150 372 W HN 0.621 nan 8.180 nan 0.000 0.494 373 N N 1.264 120.185 118.700 0.368 0.000 2.419 373 N HA 0.223 4.961 4.740 -0.003 0.000 0.277 373 N C -0.399 175.113 175.510 0.002 0.000 1.006 373 N CA -0.266 52.888 53.050 0.173 0.000 0.923 373 N CB 1.647 40.227 38.487 0.155 0.000 1.140 373 N HN -0.109 nan 8.380 nan 0.000 0.488 374 L N 1.074 122.116 121.223 -0.301 0.000 2.464 374 L HA 0.100 4.439 4.340 -0.003 0.000 0.264 374 L C 1.436 178.033 176.870 -0.455 0.000 1.199 374 L CA -0.245 54.122 54.840 -0.789 0.000 0.818 374 L CB 0.356 41.905 42.059 -0.849 0.000 1.102 374 L HN 0.576 nan 8.230 nan 0.000 0.473 375 S N 0.781 116.144 115.700 -0.561 0.000 2.600 375 S HA 0.204 4.672 4.470 -0.003 0.000 0.265 375 S C -1.947 172.536 174.600 -0.194 0.000 1.325 375 S CA -1.067 57.001 58.200 -0.221 0.000 1.002 375 S CB 0.785 63.912 63.200 -0.121 0.000 0.921 375 S HN 0.404 nan 8.310 nan 0.000 0.554 376 P HA -0.047 nan 4.420 nan 0.000 0.218 376 P C 0.971 178.224 177.300 -0.080 0.000 1.148 376 P CA 1.040 64.094 63.100 -0.076 0.000 0.822 376 P CB -0.017 31.661 31.700 -0.036 0.000 0.784 377 E N -0.750 119.403 120.200 -0.077 0.000 2.204 377 E HA -0.124 4.224 4.350 -0.003 0.000 0.195 377 E C 1.376 177.921 176.600 -0.091 0.000 0.990 377 E CA 1.013 57.376 56.400 -0.062 0.000 0.821 377 E CB -0.453 29.225 29.700 -0.036 0.000 0.750 377 E HN 0.250 nan 8.360 nan 0.000 0.477 378 R N -1.295 119.102 120.500 -0.172 0.000 2.546 378 R HA 0.283 4.621 4.340 -0.003 0.000 0.320 378 R C 0.560 176.757 176.300 -0.171 0.000 1.021 378 R CA 0.477 56.462 56.100 -0.190 0.000 1.088 378 R CB 0.876 30.968 30.300 -0.348 0.000 1.278 378 R HN 0.237 nan 8.270 nan 0.000 0.557 379 G N -0.151 108.570 108.800 -0.132 0.000 2.194 379 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.236 379 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.236 379 G C 0.364 175.202 174.900 -0.104 0.000 0.987 379 G CA -0.241 44.801 45.100 -0.098 0.000 0.635 379 G HN 0.537 nan 8.290 nan 0.000 0.520 380 G N -0.159 108.551 108.800 -0.151 0.000 2.671 380 G HA2 0.576 4.534 3.960 -0.003 0.000 0.275 380 G HA3 0.576 4.534 3.960 -0.003 0.000 0.275 380 G C 0.192 175.037 174.900 -0.091 0.000 1.368 380 G CA 0.597 45.624 45.100 -0.121 0.000 1.044 380 G HN 0.604 nan 8.290 nan 0.000 0.543 381 D N -1.585 118.775 120.400 -0.067 0.000 2.571 381 D HA 0.233 4.871 4.640 -0.003 0.000 0.239 381 D C 0.874 177.126 176.300 -0.079 0.000 1.267 381 D CA -0.294 53.666 54.000 -0.066 0.000 0.823 381 D CB 0.088 40.855 40.800 -0.055 0.000 1.056 381 D HN 0.550 nan 8.370 nan 0.000 0.494 382 G N -0.454 108.310 108.800 -0.059 0.000 2.403 382 G HA2 0.438 4.396 3.960 -0.003 0.000 0.259 382 G HA3 0.438 4.396 3.960 -0.003 0.000 0.259 382 G C 0.885 175.767 174.900 -0.030 0.000 1.244 382 G CA -0.423 44.661 45.100 -0.027 0.000 0.849 382 G HN 0.198 nan 8.290 nan 0.000 0.532 383 G N 0.763 109.500 108.800 -0.104 0.000 3.020 383 G HA2 -0.028 3.930 3.960 -0.003 0.000 0.217 383 G HA3 -0.028 3.930 3.960 -0.003 0.000 0.217 383 G C 1.103 176.184 174.900 0.302 0.000 1.144 383 G CA -0.007 45.062 45.100 -0.051 0.000 0.760 383 G HN 0.621 nan 8.290 nan 0.000 0.548 384 N N -0.918 117.936 118.700 0.255 0.000 2.368 384 N HA 0.035 4.773 4.740 -0.003 0.000 0.178 384 N C 0.560 176.143 175.510 0.121 0.000 1.021 384 N CA -0.579 52.617 53.050 0.243 0.000 0.875 384 N CB 0.129 38.737 38.487 0.202 0.000 1.020 384 N HN 0.258 nan 8.380 nan 0.000 0.433 385 W N 3.291 124.551 121.300 -0.067 0.000 2.513 385 W HA -0.069 4.589 4.660 -0.003 0.000 0.339 385 W C -0.334 176.142 176.519 -0.072 0.000 1.257 385 W CA 0.767 58.030 57.345 -0.136 0.000 1.280 385 W CB -0.341 29.021 29.460 -0.162 0.000 1.214 385 W HN 0.073 nan 8.180 nan 0.000 0.567 386 N N 4.083 122.710 118.700 -0.121 0.000 2.352 386 N HA 0.187 4.926 4.740 -0.003 0.000 0.291 386 N C -0.573 174.997 175.510 0.099 0.000 1.040 386 N CA -0.285 52.803 53.050 0.063 0.000 0.864 386 N CB 1.298 39.807 38.487 0.037 0.000 1.440 386 N HN 0.420 nan 8.380 nan 0.000 0.483 387 E N 1.915 122.269 120.200 0.257 0.000 2.812 387 E HA 0.195 4.543 4.350 -0.003 0.000 0.211 387 E C 0.513 177.277 176.600 0.274 0.000 0.986 387 E CA 0.008 56.629 56.400 0.368 0.000 1.119 387 E CB 0.647 30.575 29.700 0.379 0.000 1.046 387 E HN 0.483 nan 8.360 nan 0.000 0.474 388 R N 1.439 122.110 120.500 0.284 0.000 2.276 388 R HA 0.035 4.373 4.340 -0.003 0.000 0.203 388 R C 0.712 177.274 176.300 0.437 0.000 1.017 388 R CA 0.765 57.036 56.100 0.285 0.000 1.010 388 R CB 0.001 30.505 30.300 0.340 0.000 0.900 388 R HN 0.257 nan 8.270 nan 0.000 0.469 389 N N -2.190 116.805 118.700 0.492 0.000 3.356 389 N HA 0.027 4.765 4.740 -0.003 0.000 0.246 389 N C -0.976 174.857 175.510 0.538 0.000 1.480 389 N CA -0.553 52.816 53.050 0.533 0.000 0.877 389 N CB 1.484 40.238 38.487 0.444 0.000 1.431 389 N HN -0.213 nan 8.380 nan 0.000 0.500 390 T N -0.964 113.851 114.554 0.436 0.000 2.675 390 T HA 0.546 4.894 4.350 -0.003 0.000 0.241 390 T C -1.107 173.749 174.700 0.260 0.000 0.949 390 T CA -0.131 62.064 62.100 0.158 0.000 1.077 390 T CB 0.794 69.645 68.868 -0.028 0.000 1.797 390 T HN 0.439 nan 8.240 nan 0.000 0.551 391 K N 0.598 121.188 120.400 0.317 0.000 2.439 391 K HA 0.550 4.868 4.320 -0.003 0.000 0.260 391 K C -2.822 173.943 176.600 0.274 0.000 1.032 391 K CA -2.181 54.220 56.287 0.191 0.000 0.882 391 K CB 1.298 33.893 32.500 0.160 0.000 1.420 391 K HN 0.303 nan 8.250 nan 0.000 0.455 392 P HA 0.031 nan 4.420 nan 0.000 0.266 392 P C -0.618 176.679 177.300 -0.005 0.000 1.195 392 P CA 0.146 63.079 63.100 -0.278 0.000 0.768 392 P CB 0.515 31.559 31.700 -1.093 0.000 0.838 393 S N 2.878 118.549 115.700 -0.048 0.000 2.399 393 S HA 0.309 4.777 4.470 -0.003 0.000 0.301 393 S C 0.330 174.876 174.600 -0.091 0.000 1.093 393 S CA -0.431 57.818 58.200 0.081 0.000 1.077 393 S CB -0.932 62.225 63.200 -0.071 0.000 0.980 393 S HN 0.351 nan 8.310 nan 0.000 0.494 394 L N 4.413 125.574 121.223 -0.102 0.000 3.267 394 L HA 0.331 4.669 4.340 -0.003 0.000 0.289 394 L C 1.841 178.534 176.870 -0.295 0.000 1.260 394 L CA -0.101 54.722 54.840 -0.029 0.000 1.034 394 L CB -0.111 42.071 42.059 0.205 0.000 1.413 394 L HN 0.768 nan 8.230 nan 0.000 0.594 395 A N 0.638 122.897 122.820 -0.935 0.000 1.883 395 A HA -0.196 4.122 4.320 -0.003 0.000 0.217 395 A C 2.461 179.859 177.584 -0.310 0.000 1.186 395 A CA 2.030 53.341 52.037 -1.209 0.000 0.624 395 A CB -0.314 18.165 19.000 -0.869 0.000 0.822 395 A HN 0.423 nan 8.150 nan 0.000 0.444 396 A N -1.533 121.228 122.820 -0.098 0.000 1.902 396 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 396 A C 2.010 179.544 177.584 -0.084 0.000 1.181 396 A CA 1.655 53.679 52.037 -0.021 0.000 0.623 396 A CB -1.004 18.046 19.000 0.083 0.000 0.818 396 A HN 0.933 nan 8.150 nan 0.000 0.443 397 W N 0.726 121.843 121.300 -0.304 0.000 2.338 397 W HA -0.189 4.469 4.660 -0.003 0.000 0.304 397 W C 2.556 179.040 176.519 -0.059 0.000 1.212 397 W CA 2.064 59.112 57.345 -0.496 0.000 1.264 397 W CB -0.413 29.006 29.460 -0.067 0.000 1.142 397 W HN 0.262 nan 8.180 nan 0.000 0.512 398 S N -0.321 115.486 115.700 0.178 0.000 2.355 398 S HA -0.183 4.286 4.470 -0.003 0.000 0.222 398 S C 1.851 176.505 174.600 0.089 0.000 1.031 398 S CA 1.758 60.022 58.200 0.107 0.000 0.993 398 S CB -0.838 62.625 63.200 0.438 0.000 0.859 398 S HN 0.102 nan 8.310 nan 0.000 0.453 399 V N 1.905 121.908 119.914 0.148 0.000 2.332 399 V HA -0.182 3.936 4.120 -0.003 0.000 0.248 399 V C 2.504 178.754 176.094 0.261 0.000 1.055 399 V CA 2.193 64.664 62.300 0.285 0.000 1.038 399 V CB -0.638 31.201 31.823 0.027 0.000 0.651 399 V HN 0.540 nan 8.190 nan 0.000 0.450 400 M N 0.318 119.933 119.600 0.025 0.000 2.159 400 M HA -0.149 4.329 4.480 -0.003 0.000 0.263 400 M C 1.913 178.221 176.300 0.013 0.000 1.063 400 M CA 1.921 57.237 55.300 0.028 0.000 1.110 400 M CB -0.575 31.933 32.600 -0.152 0.000 1.374 400 M HN 0.303 nan 8.290 nan 0.000 0.411 401 E N -0.695 119.396 120.200 -0.181 0.000 2.110 401 E HA -0.116 4.232 4.350 -0.003 0.000 0.193 401 E C 1.818 178.210 176.600 -0.347 0.000 0.988 401 E CA 1.465 57.633 56.400 -0.386 0.000 0.804 401 E CB -0.380 28.786 29.700 -0.890 0.000 0.745 401 E HN 0.389 nan 8.360 nan 0.000 0.458 402 V N 0.331 120.111 119.914 -0.223 0.000 2.343 402 V HA -0.246 3.872 4.120 -0.003 0.000 0.247 402 V C 2.070 178.028 176.094 -0.227 0.000 1.051 402 V CA 2.016 64.115 62.300 -0.336 0.000 1.036 402 V CB -0.711 30.823 31.823 -0.480 0.000 0.654 402 V HN 0.410 nan 8.190 nan 0.000 0.451 403 Y N 1.911 122.186 120.300 -0.042 0.000 2.200 403 Y HA -0.199 4.349 4.550 -0.003 0.000 0.290 403 Y C 2.460 178.320 175.900 -0.067 0.000 1.137 403 Y CA 1.781 59.900 58.100 0.032 0.000 1.163 403 Y CB -0.414 38.130 38.460 0.140 0.000 0.988 403 Y HN 0.291 nan 8.280 nan 0.000 0.518 404 N N -0.064 118.537 118.700 -0.164 0.000 2.149 404 N HA -0.177 4.562 4.740 -0.003 0.000 0.188 404 N C 1.894 177.215 175.510 -0.315 0.000 1.019 404 N CA 1.772 54.680 53.050 -0.237 0.000 0.857 404 N CB -0.531 37.892 38.487 -0.108 0.000 0.997 404 N HN 0.349 nan 8.380 nan 0.000 0.426 405 V N 0.519 120.218 119.914 -0.359 0.000 2.379 405 V HA -0.106 4.012 4.120 -0.003 0.000 0.243 405 V C 2.456 178.361 176.094 -0.313 0.000 1.035 405 V CA 2.026 64.113 62.300 -0.356 0.000 1.035 405 V CB -0.789 30.740 31.823 -0.491 0.000 0.673 405 V HN 0.499 nan 8.190 nan 0.000 0.457 406 T N -2.776 111.576 114.554 -0.336 0.000 3.014 406 T HA -0.091 4.257 4.350 -0.003 0.000 0.263 406 T C 1.114 175.652 174.700 -0.270 0.000 1.078 406 T CA 0.790 62.725 62.100 -0.275 0.000 1.135 406 T CB -0.177 68.532 68.868 -0.266 0.000 0.895 406 T HN 0.537 nan 8.240 nan 0.000 0.480 407 Q N 0.612 120.135 119.800 -0.461 0.000 2.481 407 Q HA -0.175 4.163 4.340 -0.003 0.000 0.258 407 Q C -0.760 175.143 176.000 -0.161 0.000 0.961 407 Q CA 0.823 56.282 55.803 -0.573 0.000 1.121 407 Q CB -1.816 26.729 28.738 -0.321 0.000 1.503 407 Q HN 0.648 nan 8.270 nan 0.000 0.544 408 D N 0.516 120.925 120.400 0.016 0.000 2.393 408 D HA 0.136 4.774 4.640 -0.003 0.000 0.232 408 D C 0.736 177.271 176.300 0.392 0.000 1.192 408 D CA -0.006 54.103 54.000 0.182 0.000 0.882 408 D CB 0.742 41.611 40.800 0.115 0.000 1.038 408 D HN 0.098 nan 8.370 nan 0.000 0.499 409 K N 1.225 121.810 120.400 0.308 0.000 2.211 409 K HA -0.103 4.215 4.320 -0.003 0.000 0.203 409 K C 1.861 178.510 176.600 0.080 0.000 1.050 409 K CA 1.376 57.767 56.287 0.174 0.000 0.945 409 K CB 0.017 32.571 32.500 0.090 0.000 0.732 409 K HN 0.538 nan 8.250 nan 0.000 0.451 410 T N -1.153 113.467 114.554 0.111 0.000 2.915 410 T HA -0.182 4.166 4.350 -0.003 0.000 0.269 410 T C 1.581 176.347 174.700 0.110 0.000 1.071 410 T CA 0.374 62.519 62.100 0.076 0.000 1.132 410 T CB -0.390 68.525 68.868 0.080 0.000 0.878 410 T HN 0.503 nan 8.240 nan 0.000 0.479 411 W N 1.847 123.149 121.300 0.002 0.000 2.381 411 W HA -0.109 4.549 4.660 -0.003 0.000 0.301 411 W C 1.595 178.093 176.519 -0.034 0.000 1.205 411 W CA 0.589 57.929 57.345 -0.008 0.000 1.285 411 W CB -0.303 29.166 29.460 0.015 0.000 1.133 411 W HN 0.148 nan 8.180 nan 0.000 0.521 412 V N 2.226 122.026 119.914 -0.189 0.000 2.343 412 V HA -0.282 3.837 4.120 -0.003 0.000 0.247 412 V C 2.814 178.727 176.094 -0.302 0.000 1.051 412 V CA 2.333 64.411 62.300 -0.369 0.000 1.036 412 V CB -1.612 29.996 31.823 -0.357 0.000 0.654 412 V HN 0.295 nan 8.190 nan 0.000 0.451 413 A N -0.627 122.073 122.820 -0.201 0.000 1.972 413 A HA -0.258 4.060 4.320 -0.003 0.000 0.219 413 A C 2.300 179.799 177.584 -0.143 0.000 1.169 413 A CA 1.915 53.862 52.037 -0.150 0.000 0.635 413 A CB -0.447 18.492 19.000 -0.102 0.000 0.810 413 A HN 0.624 nan 8.150 nan 0.000 0.446 414 E N -0.921 119.161 120.200 -0.196 0.000 2.047 414 E HA -0.168 4.180 4.350 -0.003 0.000 0.191 414 E C 1.797 178.194 176.600 -0.338 0.000 0.987 414 E CA 1.369 57.641 56.400 -0.214 0.000 0.799 414 E CB -0.123 29.471 29.700 -0.177 0.000 0.752 414 E HN 0.478 nan 8.360 nan 0.000 0.449 415 M N -0.376 118.896 119.600 -0.546 0.000 2.388 415 M HA -0.056 4.422 4.480 -0.003 0.000 0.265 415 M C 1.955 177.983 176.300 -0.453 0.000 1.088 415 M CA 0.683 55.599 55.300 -0.639 0.000 1.134 415 M CB -1.029 31.012 32.600 -0.933 0.000 1.384 415 M HN 0.183 nan 8.290 nan 0.000 0.447 416 Y N 3.391 123.439 120.300 -0.419 0.000 2.040 416 Y HA -0.211 4.337 4.550 -0.003 0.000 0.275 416 Y C -0.603 175.156 175.900 -0.236 0.000 1.171 416 Y CA 2.639 60.558 58.100 -0.301 0.000 1.123 416 Y CB -1.840 36.479 38.460 -0.235 0.000 0.963 416 Y HN 0.160 nan 8.280 nan 0.000 0.493 417 P HA -0.179 nan 4.420 nan 0.000 0.218 417 P C 0.812 177.961 177.300 -0.251 0.000 1.148 417 P CA 2.126 65.090 63.100 -0.226 0.000 0.822 417 P CB -0.071 31.575 31.700 -0.090 0.000 0.784 418 K N -0.281 119.914 120.400 -0.342 0.000 2.062 418 K HA -0.004 4.315 4.320 -0.003 0.000 0.205 418 K C 2.399 178.810 176.600 -0.316 0.000 1.051 418 K CA 0.942 56.988 56.287 -0.402 0.000 0.941 418 K CB -0.556 31.450 32.500 -0.822 0.000 0.719 418 K HN 0.154 nan 8.250 nan 0.000 0.440 419 L N 0.732 121.713 121.223 -0.404 0.000 2.093 419 L HA -0.171 4.167 4.340 -0.003 0.000 0.208 419 L C 2.339 179.179 176.870 -0.050 0.000 1.085 419 L CA 0.791 55.540 54.840 -0.151 0.000 0.755 419 L CB -0.468 41.443 42.059 -0.247 0.000 0.904 419 L HN -0.022 nan 8.230 nan 0.000 0.435 420 V N 0.126 119.886 119.914 -0.257 0.000 2.343 420 V HA -0.290 3.828 4.120 -0.003 0.000 0.247 420 V C 2.768 178.921 176.094 0.099 0.000 1.051 420 V CA 1.834 64.027 62.300 -0.178 0.000 1.036 420 V CB -0.870 30.753 31.823 -0.333 0.000 0.654 420 V HN 0.482 nan 8.190 nan 0.000 0.451 421 A N -1.028 121.848 122.820 0.095 0.000 1.933 421 A HA -0.264 4.054 4.320 -0.003 0.000 0.218 421 A C 2.207 180.023 177.584 0.387 0.000 1.175 421 A CA 2.015 54.173 52.037 0.202 0.000 0.628 421 A CB -0.728 18.354 19.000 0.137 0.000 0.814 421 A HN 0.590 nan 8.150 nan 0.000 0.444 422 Y N 0.170 120.629 120.300 0.266 0.000 2.163 422 Y HA -0.206 4.342 4.550 -0.003 0.000 0.288 422 Y C 2.443 178.676 175.900 0.554 0.000 1.136 422 Y CA 1.694 60.018 58.100 0.374 0.000 1.147 422 Y CB -0.914 37.800 38.460 0.423 0.000 0.987 422 Y HN 0.642 nan 8.280 nan 0.000 0.509 423 H N 0.107 119.422 119.070 0.409 0.000 2.319 423 H HA -0.161 4.393 4.556 -0.003 0.000 0.297 423 H C 1.328 176.847 175.328 0.319 0.000 1.097 423 H CA 2.192 58.426 56.048 0.310 0.000 1.285 423 H CB -0.276 29.565 29.762 0.130 0.000 1.368 423 H HN 0.310 nan 8.280 nan 0.000 0.495 424 D N -0.221 120.466 120.400 0.477 0.000 2.178 424 D HA -0.142 4.496 4.640 -0.003 0.000 0.201 424 D C 2.065 178.497 176.300 0.219 0.000 0.980 424 D CA 0.829 55.022 54.000 0.322 0.000 0.842 424 D CB -0.870 40.105 40.800 0.291 0.000 0.948 424 D HN 0.524 nan 8.370 nan 0.000 0.472 425 W N 0.581 121.957 121.300 0.126 0.000 2.358 425 W HA -0.181 4.477 4.660 -0.003 0.000 0.303 425 W C 1.725 178.224 176.519 -0.034 0.000 1.208 425 W CA 1.175 58.545 57.345 0.042 0.000 1.274 425 W CB -0.700 28.799 29.460 0.065 0.000 1.138 425 W HN -0.026 nan 8.180 nan 0.000 0.515 426 W N 0.316 121.554 121.300 -0.103 0.000 2.338 426 W HA -0.172 4.486 4.660 -0.003 0.000 0.304 426 W C 2.331 178.600 176.519 -0.417 0.000 1.212 426 W CA 1.485 58.590 57.345 -0.400 0.000 1.264 426 W CB -0.994 28.327 29.460 -0.230 0.000 1.142 426 W HN -0.181 nan 8.180 nan 0.000 0.512 427 L N -0.247 120.929 121.223 -0.078 0.000 2.201 427 L HA -0.115 4.223 4.340 -0.003 0.000 0.212 427 L C 2.474 179.252 176.870 -0.154 0.000 1.105 427 L CA 1.167 55.937 54.840 -0.117 0.000 0.775 427 L CB -0.607 41.398 42.059 -0.090 0.000 0.913 427 L HN 0.009 nan 8.230 nan 0.000 0.440 428 R N -0.315 120.064 120.500 -0.202 0.000 2.090 428 R HA 0.015 4.353 4.340 -0.003 0.000 0.219 428 R C 1.253 177.377 176.300 -0.293 0.000 1.100 428 R CA 0.901 56.882 56.100 -0.199 0.000 0.991 428 R CB -0.029 30.189 30.300 -0.137 0.000 0.893 428 R HN 0.312 nan 8.270 nan 0.000 0.443 429 N N -0.241 118.138 118.700 -0.536 0.000 2.205 429 N HA 0.067 4.805 4.740 -0.003 0.000 0.201 429 N C 0.115 175.329 175.510 -0.494 0.000 1.128 429 N CA 0.259 52.971 53.050 -0.562 0.000 0.867 429 N CB 0.801 38.827 38.487 -0.768 0.000 0.996 429 N HN -0.094 nan 8.380 nan 0.000 0.503 430 R N 0.404 120.650 120.500 -0.422 0.000 2.698 430 R HA 0.219 4.557 4.340 -0.003 0.000 0.422 430 R C -0.902 175.340 176.300 -0.097 0.000 1.073 430 R CA -0.070 55.913 56.100 -0.194 0.000 1.054 430 R CB 0.163 30.430 30.300 -0.055 0.000 1.373 430 R HN -0.015 nan 8.270 nan 0.000 0.593 431 D N -0.603 119.727 120.400 -0.115 0.000 2.621 431 D HA 0.057 4.695 4.640 -0.003 0.000 0.274 431 D C 0.908 177.167 176.300 -0.070 0.000 1.215 431 D CA -0.297 53.649 54.000 -0.090 0.000 0.810 431 D CB 0.107 40.836 40.800 -0.118 0.000 1.248 431 D HN 0.138 nan 8.370 nan 0.000 0.517 432 H N 2.180 121.178 119.070 -0.121 0.000 2.321 432 H HA -0.175 4.379 4.556 -0.003 0.000 0.295 432 H C 1.335 176.611 175.328 -0.087 0.000 1.102 432 H CA 2.696 58.677 56.048 -0.111 0.000 1.266 432 H CB 0.419 30.116 29.762 -0.109 0.000 1.363 432 H HN 0.298 nan 8.280 nan 0.000 0.492 433 N N -0.253 118.397 118.700 -0.083 0.000 2.322 433 N HA 0.066 4.804 4.740 -0.003 0.000 0.194 433 N C 0.974 176.418 175.510 -0.111 0.000 1.126 433 N CA 0.717 53.698 53.050 -0.115 0.000 0.845 433 N CB -0.396 38.086 38.487 -0.007 0.000 0.976 433 N HN 0.509 nan 8.380 nan 0.000 0.475 434 G N 1.963 110.691 108.800 -0.120 0.000 2.356 434 G HA2 -0.364 3.595 3.960 -0.003 0.000 0.296 434 G HA3 -0.364 3.595 3.960 -0.003 0.000 0.296 434 G C 0.409 175.254 174.900 -0.093 0.000 1.022 434 G CA 0.608 45.644 45.100 -0.108 0.000 0.961 434 G HN 0.728 nan 8.290 nan 0.000 0.510 435 N N -0.415 118.220 118.700 -0.108 0.000 2.230 435 N HA 0.355 5.093 4.740 -0.003 0.000 0.202 435 N C 1.592 176.999 175.510 -0.172 0.000 1.119 435 N CA 0.522 53.501 53.050 -0.118 0.000 0.851 435 N CB 0.025 38.443 38.487 -0.115 0.000 0.990 435 N HN 1.497 nan 8.380 nan 0.000 0.497 436 G N -0.558 108.146 108.800 -0.159 0.000 2.159 436 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.256 436 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.256 436 G C -0.506 174.260 174.900 -0.225 0.000 0.977 436 G CA 0.391 45.395 45.100 -0.159 0.000 0.652 436 G HN 0.312 nan 8.290 nan 0.000 0.531 437 V N 1.931 121.663 119.914 -0.303 0.000 2.304 437 V HA 0.402 4.520 4.120 -0.003 0.000 0.278 437 V C -1.657 174.290 176.094 -0.245 0.000 1.018 437 V CA -1.642 60.444 62.300 -0.358 0.000 0.814 437 V CB 1.613 33.038 31.823 -0.664 0.000 1.021 437 V HN 0.071 nan 8.190 nan 0.000 0.440 438 P HA 0.243 nan 4.420 nan 0.000 0.270 438 P C -0.474 176.725 177.300 -0.169 0.000 1.227 438 P CA -0.066 62.938 63.100 -0.159 0.000 0.788 438 P CB 0.791 32.395 31.700 -0.159 0.000 0.926 439 E N -0.405 119.741 120.200 -0.090 0.000 2.359 439 E HA 0.447 4.795 4.350 -0.003 0.000 0.266 439 E C -1.002 175.604 176.600 0.010 0.000 0.920 439 E CA -0.539 55.817 56.400 -0.073 0.000 0.788 439 E CB 0.464 30.164 29.700 0.001 0.000 1.279 439 E HN 0.272 nan 8.360 nan 0.000 0.438 440 Y N 0.208 120.589 120.300 0.135 0.000 2.304 440 Y HA 0.610 5.158 4.550 -0.003 0.000 0.327 440 Y C 1.020 177.006 175.900 0.144 0.000 1.209 440 Y CA 0.498 58.700 58.100 0.171 0.000 1.299 440 Y CB 1.246 39.735 38.460 0.047 0.000 1.249 440 Y HN 0.600 nan 8.280 nan 0.000 0.519 441 G N -0.287 108.738 108.800 0.375 0.000 2.772 441 G HA2 0.750 4.708 3.960 -0.003 0.000 0.284 441 G HA3 0.750 4.708 3.960 -0.003 0.000 0.284 441 G C -1.843 173.237 174.900 0.301 0.000 1.217 441 G CA -0.237 45.021 45.100 0.263 0.000 0.831 441 G HN 0.812 nan 8.290 nan 0.000 0.523 442 A N -0.985 122.021 122.820 0.309 0.000 2.594 442 A HA 0.897 5.215 4.320 -0.003 0.000 0.291 442 A C 0.095 177.916 177.584 0.395 0.000 1.105 442 A CA 0.387 52.638 52.037 0.355 0.000 0.694 442 A CB 1.070 20.194 19.000 0.207 0.000 1.291 442 A HN 1.824 nan 8.150 nan 0.000 0.410 443 T N -1.230 113.556 114.554 0.387 0.000 2.862 443 T HA 0.590 4.938 4.350 -0.003 0.000 0.276 443 T C 0.335 175.240 174.700 0.341 0.000 0.974 443 T CA -0.608 61.622 62.100 0.216 0.000 0.966 443 T CB 0.681 69.510 68.868 -0.065 0.000 1.072 443 T HN 0.825 nan 8.240 nan 0.000 0.538 444 R N 0.704 121.291 120.500 0.145 0.000 2.389 444 R HA 0.417 4.755 4.340 -0.003 0.000 0.295 444 R C -1.095 175.257 176.300 0.087 0.000 1.075 444 R CA -0.145 56.053 56.100 0.163 0.000 1.005 444 R CB -0.005 30.318 30.300 0.039 0.000 0.987 444 R HN 0.896 nan 8.270 nan 0.000 0.452 445 D N 1.669 122.107 120.400 0.063 0.000 2.655 445 D HA 0.148 4.786 4.640 -0.003 0.000 0.229 445 D C -0.049 176.209 176.300 -0.070 0.000 1.229 445 D CA -0.682 53.250 54.000 -0.112 0.000 0.807 445 D CB 1.642 42.170 40.800 -0.453 0.000 1.514 445 D HN 0.438 nan 8.370 nan 0.000 0.444 446 K N 0.799 121.168 120.400 -0.051 0.000 2.281 446 K HA -0.069 4.250 4.320 -0.003 0.000 0.203 446 K C 1.438 178.032 176.600 -0.011 0.000 1.046 446 K CA 1.165 57.446 56.287 -0.009 0.000 0.938 446 K CB -0.026 32.475 32.500 0.002 0.000 0.737 446 K HN 0.367 nan 8.250 nan 0.000 0.458 447 A N 0.237 123.010 122.820 -0.078 0.000 2.123 447 A HA -0.062 4.257 4.320 -0.003 0.000 0.214 447 A C 1.267 178.919 177.584 0.112 0.000 1.152 447 A CA 0.793 52.821 52.037 -0.015 0.000 0.728 447 A CB -0.347 18.633 19.000 -0.033 0.000 0.814 447 A HN 0.371 nan 8.150 nan 0.000 0.464 448 H N -1.176 117.909 119.070 0.025 0.000 2.729 448 H HA 0.137 4.691 4.556 -0.003 0.000 0.263 448 H C -0.045 175.300 175.328 0.028 0.000 0.961 448 H CA 0.185 56.224 56.048 -0.016 0.000 1.217 448 H CB 0.263 30.034 29.762 0.015 0.000 1.447 448 H HN 0.741 nan 8.280 nan 0.000 0.496 449 N N -0.147 118.672 118.700 0.198 0.000 2.825 449 N HA 0.135 4.873 4.740 -0.003 0.000 0.253 449 N C -0.625 174.947 175.510 0.103 0.000 1.426 449 N CA -0.719 52.434 53.050 0.172 0.000 0.851 449 N CB 1.267 39.914 38.487 0.266 0.000 1.470 449 N HN -0.024 nan 8.380 nan 0.000 0.517 450 T N -2.661 111.943 114.554 0.085 0.000 2.754 450 T HA 0.223 4.571 4.350 -0.003 0.000 0.286 450 T C 0.745 175.477 174.700 0.053 0.000 0.997 450 T CA -0.346 61.786 62.100 0.053 0.000 0.982 450 T CB 0.567 69.459 68.868 0.041 0.000 1.027 450 T HN 0.603 nan 8.240 nan 0.000 0.529 451 E N 0.505 120.728 120.200 0.038 0.000 2.153 451 E HA -0.124 4.224 4.350 -0.003 0.000 0.194 451 E C 2.218 178.838 176.600 0.034 0.000 0.988 451 E CA 1.363 57.782 56.400 0.032 0.000 0.811 451 E CB -0.213 29.502 29.700 0.024 0.000 0.746 451 E HN 0.798 nan 8.360 nan 0.000 0.466 452 S N -0.584 115.138 115.700 0.036 0.000 2.607 452 S HA 0.148 4.616 4.470 -0.003 0.000 0.224 452 S C 1.568 176.194 174.600 0.044 0.000 0.969 452 S CA 0.301 58.522 58.200 0.035 0.000 0.927 452 S CB 0.387 63.607 63.200 0.033 0.000 0.772 452 S HN 0.404 nan 8.310 nan 0.000 0.533 453 G N 0.565 109.401 108.800 0.059 0.000 2.144 453 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.218 453 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.218 453 G C -0.386 174.580 174.900 0.110 0.000 0.988 453 G CA -0.157 44.987 45.100 0.074 0.000 0.659 453 G HN 0.589 nan 8.290 nan 0.000 0.522 454 E N 0.294 120.560 120.200 0.110 0.000 2.229 454 E HA 0.425 4.773 4.350 -0.003 0.000 0.283 454 E C 0.751 177.454 176.600 0.171 0.000 1.030 454 E CA -0.542 55.938 56.400 0.133 0.000 0.836 454 E CB 1.011 30.768 29.700 0.095 0.000 1.068 454 E HN 0.425 nan 8.360 nan 0.000 0.401 455 M N 4.548 124.287 119.600 0.231 0.000 2.238 455 M HA 0.092 4.570 4.480 -0.003 0.000 0.350 455 M C -1.013 175.392 176.300 0.174 0.000 1.321 455 M CA 0.051 55.479 55.300 0.214 0.000 1.097 455 M CB 0.273 32.992 32.600 0.198 0.000 1.713 455 M HN 0.436 nan 8.290 nan 0.000 0.455 456 L N 6.712 127.988 121.223 0.089 0.000 2.375 456 L HA 0.605 4.943 4.340 -0.003 0.000 0.271 456 L C -0.651 176.275 176.870 0.094 0.000 1.107 456 L CA -0.519 54.333 54.840 0.020 0.000 0.806 456 L CB 0.697 42.752 42.059 -0.006 0.000 1.146 456 L HN 0.775 nan 8.230 nan 0.000 0.447 457 F N -0.794 119.115 119.950 -0.068 0.000 2.703 457 F HA 0.602 5.127 4.527 -0.003 0.000 0.308 457 F C -1.087 174.672 175.800 -0.068 0.000 1.126 457 F CA -0.780 57.163 58.000 -0.095 0.000 0.959 457 F CB 1.463 40.409 39.000 -0.090 0.000 1.297 457 F HN 0.173 nan 8.300 nan 0.000 0.441 458 T N 2.339 116.958 114.554 0.108 0.000 2.841 458 T HA 0.618 4.966 4.350 -0.003 0.000 0.285 458 T C -1.096 173.644 174.700 0.066 0.000 0.991 458 T CA -0.673 61.437 62.100 0.016 0.000 0.966 458 T CB 1.767 70.622 68.868 -0.021 0.000 0.962 458 T HN 0.615 nan 8.240 nan 0.000 0.438 459 V N 3.731 123.680 119.914 0.059 0.000 2.407 459 V HA 0.571 4.689 4.120 -0.003 0.000 0.278 459 V C 0.068 176.178 176.094 0.027 0.000 1.037 459 V CA -0.720 61.590 62.300 0.016 0.000 0.900 459 V CB 1.340 33.209 31.823 0.077 0.000 0.983 459 V HN 0.625 nan 8.190 nan 0.000 0.459 460 K N 4.161 124.580 120.400 0.032 0.000 2.292 460 K HA 0.673 4.991 4.320 -0.003 0.000 0.257 460 K C -0.929 175.735 176.600 0.107 0.000 0.940 460 K CA -0.694 55.629 56.287 0.060 0.000 0.811 460 K CB 1.388 33.914 32.500 0.043 0.000 1.120 460 K HN 0.538 nan 8.250 nan 0.000 0.428 461 K N 3.110 123.560 120.400 0.084 0.000 2.637 461 K HA 0.568 4.887 4.320 -0.003 0.000 0.248 461 K C 0.062 176.693 176.600 0.053 0.000 0.971 461 K CA 0.350 56.687 56.287 0.083 0.000 0.858 461 K CB 0.963 33.514 32.500 0.085 0.000 1.170 461 K HN 0.686 nan 8.250 nan 0.000 0.443 462 G N 3.546 112.373 108.800 0.045 0.000 2.565 462 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.295 462 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.295 462 G C 0.069 174.987 174.900 0.029 0.000 1.165 462 G CA 0.452 45.571 45.100 0.032 0.000 0.977 462 G HN 0.645 nan 8.290 nan 0.000 0.546 463 D N 1.576 121.990 120.400 0.023 0.000 2.363 463 D HA 0.167 4.805 4.640 -0.003 0.000 0.214 463 D C 0.501 176.813 176.300 0.020 0.000 1.093 463 D CA 0.305 54.317 54.000 0.020 0.000 0.837 463 D CB 0.347 41.156 40.800 0.015 0.000 0.948 463 D HN 0.199 nan 8.370 nan 0.000 0.507 464 K N 1.423 121.837 120.400 0.024 0.000 2.156 464 K HA 0.384 4.702 4.320 -0.003 0.000 0.271 464 K C 0.507 177.122 176.600 0.026 0.000 0.995 464 K CA -0.196 56.105 56.287 0.023 0.000 0.890 464 K CB 2.160 34.675 32.500 0.026 0.000 1.073 464 K HN 0.062 nan 8.250 nan 0.000 0.454 465 E N 1.126 121.337 120.200 0.017 0.000 2.299 465 E HA 0.359 4.707 4.350 -0.003 0.000 0.260 465 E C -0.948 175.656 176.600 0.006 0.000 0.944 465 E CA -0.744 55.664 56.400 0.013 0.000 0.815 465 E CB 2.072 31.774 29.700 0.003 0.000 1.252 465 E HN 0.470 nan 8.360 nan 0.000 0.418 466 E N 1.313 121.510 120.200 -0.004 0.000 2.565 466 E HA 0.093 4.441 4.350 -0.003 0.000 0.343 466 E C -1.603 174.953 176.600 -0.073 0.000 0.968 466 E CA -0.279 56.108 56.400 -0.022 0.000 0.773 466 E CB 0.790 30.494 29.700 0.008 0.000 1.513 466 E HN 0.519 nan 8.360 nan 0.000 0.384 467 T N 1.323 115.813 114.554 -0.106 0.000 2.832 467 T HA 0.453 4.801 4.350 -0.003 0.000 0.296 467 T C 0.171 174.696 174.700 -0.292 0.000 0.968 467 T CA -0.406 61.580 62.100 -0.191 0.000 1.107 467 T CB 1.509 70.299 68.868 -0.131 0.000 0.916 467 T HN 0.441 nan 8.240 nan 0.000 0.517 468 Q N 1.338 120.784 119.800 -0.592 0.000 2.882 468 Q HA 0.748 5.086 4.340 -0.003 0.000 0.315 468 Q C -0.912 174.621 176.000 -0.780 0.000 1.004 468 Q CA -1.271 54.133 55.803 -0.664 0.000 0.777 468 Q CB 2.283 30.577 28.738 -0.740 0.000 1.506 468 Q HN 0.923 nan 8.270 nan 0.000 0.489 469 S N -1.510 113.929 115.700 -0.434 0.000 2.570 469 S HA 0.880 5.348 4.470 -0.003 0.000 0.270 469 S C -0.549 174.143 174.600 0.152 0.000 1.149 469 S CA -0.236 57.893 58.200 -0.117 0.000 0.837 469 S CB 1.886 65.057 63.200 -0.048 0.000 1.124 469 S HN 1.310 nan 8.310 nan 0.000 0.465 470 G N 0.261 109.216 108.800 0.257 0.000 3.067 470 G HA2 0.113 4.071 3.960 -0.003 0.000 0.686 470 G HA3 0.113 4.071 3.960 -0.003 0.000 0.686 470 G C -0.147 174.957 174.900 0.340 0.000 1.119 470 G CA -0.239 45.015 45.100 0.257 0.000 0.790 470 G HN 1.517 nan 8.290 nan 0.000 0.605 471 L N 1.756 123.130 121.223 0.252 0.000 2.046 471 L HA -0.005 4.333 4.340 -0.003 0.000 0.208 471 L C 2.519 179.547 176.870 0.263 0.000 1.077 471 L CA 2.652 57.647 54.840 0.257 0.000 0.747 471 L CB -0.404 41.772 42.059 0.195 0.000 0.896 471 L HN 0.699 nan 8.230 nan 0.000 0.432 472 N N 0.128 118.943 118.700 0.191 0.000 2.069 472 N HA -0.194 4.544 4.740 -0.003 0.000 0.191 472 N C 1.557 177.149 175.510 0.138 0.000 1.031 472 N CA 1.607 54.740 53.050 0.138 0.000 0.852 472 N CB -0.590 37.963 38.487 0.109 0.000 1.018 472 N HN 0.479 nan 8.380 nan 0.000 0.423 473 N N 0.718 119.543 118.700 0.209 0.000 2.120 473 N HA -0.173 4.565 4.740 -0.003 0.000 0.188 473 N C 1.797 177.416 175.510 0.180 0.000 1.024 473 N CA 0.643 53.844 53.050 0.251 0.000 0.852 473 N CB -0.574 38.142 38.487 0.382 0.000 1.003 473 N HN 0.404 nan 8.380 nan 0.000 0.424 474 Y N 1.825 122.087 120.300 -0.064 0.000 2.128 474 Y HA -0.174 4.374 4.550 -0.003 0.000 0.284 474 Y C 2.340 178.080 175.900 -0.267 0.000 1.154 474 Y CA 1.781 59.535 58.100 -0.577 0.000 1.149 474 Y CB -0.642 37.488 38.460 -0.549 0.000 0.976 474 Y HN 0.058 nan 8.280 nan 0.000 0.505 475 A N 0.936 123.537 122.820 -0.366 0.000 1.883 475 A HA -0.227 4.091 4.320 -0.003 0.000 0.217 475 A C 2.459 179.885 177.584 -0.263 0.000 1.186 475 A CA 3.034 54.838 52.037 -0.389 0.000 0.624 475 A CB -1.462 17.481 19.000 -0.095 0.000 0.822 475 A HN 0.588 nan 8.150 nan 0.000 0.444 476 R N -0.675 119.751 120.500 -0.124 0.000 2.073 476 R HA -0.030 4.308 4.340 -0.003 0.000 0.234 476 R C 2.269 178.535 176.300 -0.057 0.000 1.134 476 R CA 1.894 57.960 56.100 -0.056 0.000 0.952 476 R CB -1.867 28.439 30.300 0.010 0.000 0.850 476 R HN 0.437 nan 8.270 nan 0.000 0.433 477 V N 0.817 120.690 119.914 -0.067 0.000 2.287 477 V HA -0.241 3.877 4.120 -0.003 0.000 0.248 477 V C 2.603 178.727 176.094 0.050 0.000 1.053 477 V CA 2.002 64.307 62.300 0.008 0.000 1.027 477 V CB -0.429 31.387 31.823 -0.013 0.000 0.646 477 V HN 0.430 nan 8.190 nan 0.000 0.447 478 V N -0.093 119.732 119.914 -0.148 0.000 2.594 478 V HA -0.269 3.849 4.120 -0.003 0.000 0.253 478 V C 2.384 178.450 176.094 -0.047 0.000 1.069 478 V CA 2.131 64.387 62.300 -0.074 0.000 1.082 478 V CB -0.609 30.996 31.823 -0.363 0.000 0.680 478 V HN 0.680 nan 8.190 nan 0.000 0.469 479 E N 0.457 120.608 120.200 -0.081 0.000 2.047 479 E HA -0.224 4.124 4.350 -0.003 0.000 0.191 479 E C 2.278 178.856 176.600 -0.037 0.000 0.987 479 E CA 1.307 57.673 56.400 -0.057 0.000 0.799 479 E CB 0.008 29.677 29.700 -0.053 0.000 0.752 479 E HN 0.589 nan 8.360 nan 0.000 0.449 480 K N -0.839 119.550 120.400 -0.018 0.000 2.001 480 K HA -0.027 4.291 4.320 -0.003 0.000 0.208 480 K C 1.378 177.930 176.600 -0.081 0.000 1.048 480 K CA 0.888 57.160 56.287 -0.025 0.000 0.932 480 K CB -0.132 32.373 32.500 0.008 0.000 0.715 480 K HN 0.347 nan 8.250 nan 0.000 0.437 481 G N 1.943 110.675 108.800 -0.114 0.000 2.176 481 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.252 481 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.252 481 G C -0.076 174.512 174.900 -0.521 0.000 1.024 481 G CA 0.255 45.076 45.100 -0.465 0.000 0.755 481 G HN 0.410 nan 8.290 nan 0.000 0.507 482 Q N -0.441 119.227 119.800 -0.221 0.000 2.938 482 Q HA 0.424 4.763 4.340 -0.003 0.000 0.343 482 Q C -0.013 175.979 176.000 -0.014 0.000 1.185 482 Q CA -0.094 55.642 55.803 -0.111 0.000 0.939 482 Q CB -0.128 28.602 28.738 -0.014 0.000 1.480 482 Q HN 0.847 nan 8.270 nan 0.000 0.442 483 Y N -3.989 116.316 120.300 0.008 0.000 2.581 483 Y HA 0.411 4.960 4.550 -0.003 0.000 0.345 483 Y C 0.068 175.975 175.900 0.012 0.000 1.036 483 Y CA -1.648 56.462 58.100 0.015 0.000 1.042 483 Y CB 0.869 39.343 38.460 0.024 0.000 1.289 483 Y HN -0.187 nan 8.280 nan 0.000 0.471 484 D N 0.885 121.436 120.400 0.253 0.000 2.271 484 D HA 0.064 4.702 4.640 -0.003 0.000 0.206 484 D C -0.140 176.305 176.300 0.243 0.000 0.967 484 D CA 1.480 55.578 54.000 0.164 0.000 0.867 484 D CB 0.403 41.262 40.800 0.098 0.000 0.960 484 D HN 0.554 nan 8.370 nan 0.000 0.509 485 S N -0.277 115.615 115.700 0.319 0.000 2.543 485 S HA 0.481 4.949 4.470 -0.003 0.000 0.274 485 S C -1.508 173.059 174.600 -0.055 0.000 1.149 485 S CA -1.049 57.261 58.200 0.183 0.000 0.866 485 S CB 2.066 65.319 63.200 0.087 0.000 1.111 485 S HN -0.010 nan 8.310 nan 0.000 0.457 486 L N 1.609 122.714 121.223 -0.196 0.000 2.342 486 L HA 0.592 4.930 4.340 -0.003 0.000 0.276 486 L C -0.804 175.973 176.870 -0.155 0.000 0.997 486 L CA -0.154 54.477 54.840 -0.349 0.000 0.838 486 L CB 1.275 42.950 42.059 -0.640 0.000 1.224 486 L HN 0.854 nan 8.230 nan 0.000 0.416 487 E N 6.641 126.789 120.200 -0.087 0.000 2.146 487 E HA 0.454 4.803 4.350 -0.003 0.000 0.282 487 E C -0.923 175.627 176.600 -0.083 0.000 0.989 487 E CA -0.220 56.133 56.400 -0.077 0.000 0.799 487 E CB 1.753 31.426 29.700 -0.045 0.000 1.088 487 E HN 0.527 nan 8.360 nan 0.000 0.397 488 I N 4.705 125.159 120.570 -0.193 0.000 2.495 488 I HA 0.175 4.343 4.170 -0.003 0.000 0.277 488 I C -2.023 173.860 176.117 -0.389 0.000 1.045 488 I CA -2.194 58.932 61.300 -0.290 0.000 1.135 488 I CB 1.613 39.312 38.000 -0.501 0.000 1.241 488 I HN 0.229 nan 8.210 nan 0.000 0.469 489 P HA -0.275 nan 4.420 nan 0.000 0.216 489 P C 1.582 178.548 177.300 -0.556 0.000 1.154 489 P CA 1.620 64.558 63.100 -0.271 0.000 0.865 489 P CB 0.361 32.038 31.700 -0.038 0.000 0.789 490 A N -0.712 121.625 122.820 -0.805 0.000 1.930 490 A HA -0.255 4.063 4.320 -0.003 0.000 0.217 490 A C 2.347 179.423 177.584 -0.847 0.000 1.175 490 A CA 1.750 53.084 52.037 -1.172 0.000 0.627 490 A CB -1.317 17.053 19.000 -1.051 0.000 0.815 490 A HN 0.214 nan 8.150 nan 0.000 0.443 491 Q N -0.443 118.680 119.800 -1.128 0.000 2.230 491 Q HA -0.060 4.278 4.340 -0.003 0.000 0.202 491 Q C 1.788 177.441 176.000 -0.578 0.000 0.963 491 Q CA 1.326 56.476 55.803 -1.088 0.000 0.866 491 Q CB -0.118 27.884 28.738 -1.227 0.000 0.931 491 Q HN 0.403 nan 8.270 nan 0.000 0.452 492 V N 0.684 120.247 119.914 -0.585 0.000 2.358 492 V HA -0.247 3.871 4.120 -0.003 0.000 0.246 492 V C 2.289 177.819 176.094 -0.940 0.000 1.047 492 V CA 1.767 63.693 62.300 -0.623 0.000 1.035 492 V CB -0.937 30.508 31.823 -0.630 0.000 0.658 492 V HN 0.512 nan 8.190 nan 0.000 0.452 493 A N -0.076 122.247 122.820 -0.829 0.000 1.972 493 A HA -0.076 4.242 4.320 -0.003 0.000 0.219 493 A C 2.387 179.861 177.584 -0.183 0.000 1.169 493 A CA 1.889 53.604 52.037 -0.537 0.000 0.635 493 A CB -0.634 18.283 19.000 -0.139 0.000 0.810 493 A HN 0.566 nan 8.150 nan 0.000 0.446 494 A N 0.350 123.059 122.820 -0.185 0.000 1.930 494 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 494 A C 2.490 179.962 177.584 -0.186 0.000 1.175 494 A CA 2.145 54.162 52.037 -0.033 0.000 0.627 494 A CB -0.858 18.206 19.000 0.106 0.000 0.815 494 A HN 0.976 nan 8.150 nan 0.000 0.443 495 S N -1.606 113.940 115.700 -0.258 0.000 2.402 495 S HA -0.163 4.305 4.470 -0.003 0.000 0.229 495 S C 1.731 176.245 174.600 -0.145 0.000 1.021 495 S CA 1.065 59.097 58.200 -0.280 0.000 0.974 495 S CB -0.611 62.540 63.200 -0.081 0.000 0.800 495 S HN 0.654 nan 8.310 nan 0.000 0.484 496 W N 2.132 123.342 121.300 -0.149 0.000 2.388 496 W HA 0.230 4.888 4.660 -0.004 0.000 0.294 496 W C 2.475 178.914 176.519 -0.132 0.000 1.212 496 W CA 0.350 57.641 57.345 -0.090 0.000 1.271 496 W CB -1.112 28.369 29.460 0.034 0.000 1.126 496 W HN 0.545 nan 8.180 nan 0.000 0.535 497 E N 0.579 120.839 120.200 0.099 0.000 2.204 497 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 497 E C 2.225 178.596 176.600 -0.383 0.000 0.989 497 E CA 1.773 58.197 56.400 0.040 0.000 0.824 497 E CB -0.023 29.813 29.700 0.226 0.000 0.756 497 E HN 0.116 nan 8.360 nan 0.000 0.477 498 S N -1.282 113.949 115.700 -0.782 0.000 2.489 498 S HA 0.075 4.543 4.470 -0.003 0.000 0.228 498 S C 1.735 175.857 174.600 -0.796 0.000 0.995 498 S CA 0.800 58.174 58.200 -1.377 0.000 0.934 498 S CB 0.174 62.574 63.200 -1.334 0.000 0.771 498 S HN 0.496 nan 8.310 nan 0.000 0.522 499 G N 1.440 109.917 108.800 -0.538 0.000 2.205 499 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.261 499 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.261 499 G C 0.272 174.793 174.900 -0.631 0.000 0.980 499 G CA 0.162 45.005 45.100 -0.428 0.000 0.632 499 G HN 0.604 nan 8.290 nan 0.000 0.533 500 R N 0.786 120.832 120.500 -0.756 0.000 2.564 500 R HA 0.349 4.687 4.340 -0.003 0.000 0.282 500 R C 0.555 176.557 176.300 -0.496 0.000 1.573 500 R CA 0.127 55.477 56.100 -1.251 0.000 1.588 500 R CB 0.467 30.210 30.300 -0.928 0.000 1.154 500 R HN 0.372 nan 8.270 nan 0.000 0.606 501 D N -0.721 119.480 120.400 -0.331 0.000 2.403 501 D HA -0.173 4.465 4.640 -0.003 0.000 0.227 501 D C 0.480 176.463 176.300 -0.528 0.000 0.995 501 D CA 0.816 54.700 54.000 -0.194 0.000 0.928 501 D CB 0.266 41.104 40.800 0.063 0.000 0.887 501 D HN 0.294 nan 8.370 nan 0.000 0.529 502 D N -0.886 119.365 120.400 -0.248 0.000 2.620 502 D HA 0.312 4.950 4.640 -0.003 0.000 0.260 502 D C -0.363 176.058 176.300 0.202 0.000 1.367 502 D CA -0.309 53.480 54.000 -0.351 0.000 0.805 502 D CB 0.353 41.138 40.800 -0.026 0.000 1.096 502 D HN 0.246 nan 8.370 nan 0.000 0.488 503 A N 0.222 123.264 122.820 0.371 0.000 2.462 503 A HA 0.540 4.858 4.320 -0.003 0.000 0.243 503 A C 1.710 179.592 177.584 0.496 0.000 1.076 503 A CA 0.396 52.703 52.037 0.449 0.000 0.773 503 A CB 0.585 19.787 19.000 0.337 0.000 1.010 503 A HN 0.295 nan 8.150 nan 0.000 0.493 504 A N 2.261 125.320 122.820 0.398 0.000 1.908 504 A HA -0.087 4.231 4.320 -0.003 0.000 0.218 504 A C 2.089 179.851 177.584 0.297 0.000 1.181 504 A CA 1.968 54.282 52.037 0.461 0.000 0.627 504 A CB -0.997 18.277 19.000 0.457 0.000 0.818 504 A HN 1.516 nan 8.150 nan 0.000 0.445 505 V N -1.201 118.727 119.914 0.024 0.000 2.688 505 V HA -0.170 3.948 4.120 -0.003 0.000 0.256 505 V C 1.379 177.309 176.094 -0.274 0.000 1.084 505 V CA 1.653 63.813 62.300 -0.234 0.000 1.103 505 V CB -0.737 30.837 31.823 -0.416 0.000 0.688 505 V HN 0.506 nan 8.190 nan 0.000 0.480 506 F N 0.711 120.794 119.950 0.222 0.000 2.645 506 F HA 0.520 5.045 4.527 -0.003 0.000 0.300 506 F C 1.690 177.451 175.800 -0.065 0.000 1.115 506 F CA 0.155 58.251 58.000 0.160 0.000 1.355 506 F CB -0.187 39.009 39.000 0.325 0.000 1.026 506 F HN 0.234 nan 8.300 nan 0.000 0.536 507 G N -0.460 108.420 108.800 0.133 0.000 2.176 507 G HA2 -0.298 3.661 3.960 -0.003 0.000 0.253 507 G HA3 -0.298 3.661 3.960 -0.003 0.000 0.253 507 G C 0.066 174.976 174.900 0.016 0.000 0.979 507 G CA -0.574 44.578 45.100 0.088 0.000 0.641 507 G HN 0.177 nan 8.290 nan 0.000 0.530 508 F N 0.556 120.700 119.950 0.323 0.000 2.421 508 F HA 0.752 5.277 4.527 -0.004 0.000 0.358 508 F C 0.657 176.525 175.800 0.114 0.000 1.115 508 F CA -0.620 57.502 58.000 0.203 0.000 1.160 508 F CB 1.119 40.244 39.000 0.208 0.000 1.123 508 F HN 0.159 nan 8.300 nan 0.000 0.508 509 I N 3.256 123.877 120.570 0.085 0.000 2.743 509 I HA 0.247 4.415 4.170 -0.003 0.000 0.292 509 I C -1.527 174.520 176.117 -0.117 0.000 1.343 509 I CA -0.868 60.330 61.300 -0.170 0.000 1.038 509 I CB 1.681 39.217 38.000 -0.773 0.000 1.311 509 I HN 0.597 nan 8.210 nan 0.000 0.426 510 D N 6.195 126.543 120.400 -0.087 0.000 2.354 510 D HA 0.236 4.874 4.640 -0.003 0.000 0.247 510 D C 0.668 176.918 176.300 -0.083 0.000 1.138 510 D CA -0.388 53.582 54.000 -0.050 0.000 0.958 510 D CB 1.028 41.816 40.800 -0.021 0.000 1.144 510 D HN 0.477 nan 8.370 nan 0.000 0.458 511 K N 0.093 120.465 120.400 -0.047 0.000 2.034 511 K HA -0.252 4.066 4.320 -0.003 0.000 0.214 511 K C 1.748 178.320 176.600 -0.047 0.000 1.051 511 K CA 1.937 58.197 56.287 -0.045 0.000 0.931 511 K CB -0.214 32.273 32.500 -0.020 0.000 0.715 511 K HN 0.438 nan 8.250 nan 0.000 0.446 512 E N 1.023 121.202 120.200 -0.034 0.000 2.058 512 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 512 E C 2.085 178.667 176.600 -0.030 0.000 0.997 512 E CA 1.477 57.863 56.400 -0.024 0.000 0.801 512 E CB -0.144 29.548 29.700 -0.013 0.000 0.746 512 E HN 0.341 nan 8.360 nan 0.000 0.450 513 Q N -0.376 119.389 119.800 -0.057 0.000 2.079 513 Q HA -0.091 4.247 4.340 -0.003 0.000 0.200 513 Q C 2.143 178.074 176.000 -0.115 0.000 0.974 513 Q CA 0.917 56.675 55.803 -0.075 0.000 0.840 513 Q CB -0.163 28.504 28.738 -0.119 0.000 0.898 513 Q HN 0.190 nan 8.270 nan 0.000 0.430 514 L N 1.234 122.343 121.223 -0.189 0.000 2.141 514 L HA -0.141 4.197 4.340 -0.003 0.000 0.209 514 L C 1.388 178.251 176.870 -0.011 0.000 1.094 514 L CA 1.776 56.492 54.840 -0.207 0.000 0.763 514 L CB -0.345 41.559 42.059 -0.258 0.000 0.908 514 L HN 0.083 nan 8.230 nan 0.000 0.437 515 D N -0.271 120.120 120.400 -0.014 0.000 2.117 515 D HA -0.223 4.415 4.640 -0.003 0.000 0.198 515 D C 2.061 178.380 176.300 0.032 0.000 0.982 515 D CA 1.290 55.297 54.000 0.012 0.000 0.828 515 D CB -0.030 40.769 40.800 -0.002 0.000 0.967 515 D HN 0.380 nan 8.370 nan 0.000 0.464 516 K N -0.198 120.223 120.400 0.034 0.000 2.057 516 K HA -0.207 4.111 4.320 -0.003 0.000 0.207 516 K C 2.276 178.922 176.600 0.076 0.000 1.049 516 K CA 0.835 57.149 56.287 0.044 0.000 0.931 516 K CB -0.237 32.291 32.500 0.047 0.000 0.714 516 K HN 0.092 nan 8.250 nan 0.000 0.440 517 Y N 1.161 121.454 120.300 -0.011 0.000 2.165 517 Y HA -0.248 4.300 4.550 -0.004 0.000 0.286 517 Y C 1.827 177.759 175.900 0.054 0.000 1.155 517 Y CA 1.614 59.739 58.100 0.041 0.000 1.164 517 Y CB -0.297 38.191 38.460 0.046 0.000 0.978 517 Y HN -0.147 nan 8.280 nan 0.000 0.513 518 V N 0.410 120.356 119.914 0.054 0.000 2.358 518 V HA -0.296 3.822 4.120 -0.003 0.000 0.246 518 V C 2.699 178.750 176.094 -0.072 0.000 1.047 518 V CA 1.730 64.015 62.300 -0.026 0.000 1.035 518 V CB -1.613 30.241 31.823 0.051 0.000 0.658 518 V HN 0.561 nan 8.190 nan 0.000 0.452 519 A N 0.471 123.270 122.820 -0.036 0.000 1.978 519 A HA -0.214 4.104 4.320 -0.003 0.000 0.220 519 A C 1.870 179.418 177.584 -0.060 0.000 1.170 519 A CA 1.902 53.917 52.037 -0.036 0.000 0.636 519 A CB -0.593 18.397 19.000 -0.015 0.000 0.810 519 A HN 0.606 nan 8.150 nan 0.000 0.448 520 N N -0.885 117.760 118.700 -0.091 0.000 2.461 520 N HA 0.143 4.881 4.740 -0.003 0.000 0.188 520 N C 1.094 176.516 175.510 -0.148 0.000 1.134 520 N CA 1.084 54.072 53.050 -0.104 0.000 0.878 520 N CB 0.469 38.901 38.487 -0.093 0.000 0.972 520 N HN 0.685 nan 8.380 nan 0.000 0.456 521 G N -0.933 107.766 108.800 -0.169 0.000 2.184 521 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.206 521 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.206 521 G C 0.458 175.224 174.900 -0.224 0.000 0.995 521 G CA -0.168 44.838 45.100 -0.158 0.000 0.651 521 G HN 0.585 nan 8.290 nan 0.000 0.511 522 G N -0.208 108.326 108.800 -0.444 0.000 2.580 522 G HA2 0.568 4.526 3.960 -0.003 0.000 0.278 522 G HA3 0.568 4.526 3.960 -0.003 0.000 0.278 522 G C -0.183 174.647 174.900 -0.115 0.000 1.212 522 G CA -0.430 44.340 45.100 -0.550 0.000 0.939 522 G HN 0.365 nan 8.290 nan 0.000 0.513 523 K N -0.154 120.347 120.400 0.168 0.000 2.221 523 K HA 0.282 4.600 4.320 -0.003 0.000 0.258 523 K C 1.065 177.889 176.600 0.373 0.000 0.944 523 K CA -0.728 55.681 56.287 0.204 0.000 0.823 523 K CB 2.705 35.277 32.500 0.121 0.000 1.113 523 K HN 0.398 nan 8.250 nan 0.000 0.431 524 R N 0.389 121.043 120.500 0.257 0.000 2.127 524 R HA -0.141 4.197 4.340 -0.003 0.000 0.238 524 R C 1.996 178.440 176.300 0.240 0.000 1.134 524 R CA 1.938 58.188 56.100 0.251 0.000 0.975 524 R CB -0.181 30.188 30.300 0.115 0.000 0.865 524 R HN 0.689 nan 8.270 nan 0.000 0.447 525 S N 0.670 116.465 115.700 0.158 0.000 2.507 525 S HA -0.092 4.376 4.470 -0.003 0.000 0.235 525 S C 1.075 175.731 174.600 0.094 0.000 0.988 525 S CA 1.001 59.264 58.200 0.104 0.000 0.944 525 S CB -0.012 63.220 63.200 0.053 0.000 0.762 525 S HN 0.175 nan 8.310 nan 0.000 0.526 526 D N 0.617 121.098 120.400 0.135 0.000 2.310 526 D HA -0.025 4.613 4.640 -0.003 0.000 0.212 526 D C 0.356 176.487 176.300 -0.280 0.000 0.965 526 D CA 0.715 54.690 54.000 -0.041 0.000 0.879 526 D CB -0.221 40.590 40.800 0.019 0.000 0.921 526 D HN 0.695 nan 8.370 nan 0.000 0.510 527 W N 0.664 121.927 121.300 -0.060 0.000 3.239 527 W HA 0.175 4.835 4.660 0.000 0.000 0.348 527 W C 0.197 176.674 176.519 -0.070 0.000 1.183 527 W CA -0.200 57.087 57.345 -0.097 0.000 1.819 527 W CB 0.042 29.420 29.460 -0.138 0.000 1.091 527 W HN -0.349 nan 8.180 nan 0.000 0.629 528 T N 1.612 116.223 114.554 0.095 0.000 2.728 528 T HA 0.336 4.685 4.350 -0.003 0.000 0.296 528 T C -0.019 174.703 174.700 0.036 0.000 0.940 528 T CA -0.234 61.904 62.100 0.065 0.000 1.013 528 T CB 1.442 70.350 68.868 0.067 0.000 0.912 528 T HN -0.430 nan 8.240 nan 0.000 0.484 529 V N 5.697 125.632 119.914 0.035 0.000 2.364 529 V HA 0.245 4.363 4.120 -0.003 0.000 0.272 529 V C 0.628 176.791 176.094 0.115 0.000 1.036 529 V CA -0.781 61.558 62.300 0.065 0.000 0.880 529 V CB 0.587 32.458 31.823 0.081 0.000 0.991 529 V HN 0.750 nan 8.190 nan 0.000 0.460 530 K N 3.712 124.190 120.400 0.130 0.000 2.258 530 K HA 0.442 4.760 4.320 -0.003 0.000 0.264 530 K C -0.809 175.946 176.600 0.258 0.000 1.007 530 K CA -0.151 56.257 56.287 0.202 0.000 0.941 530 K CB 0.776 33.356 32.500 0.133 0.000 0.966 530 K HN 0.465 nan 8.250 nan 0.000 0.480 531 F N 0.132 120.117 119.950 0.058 0.000 2.561 531 F HA 0.618 5.143 4.527 -0.003 0.000 0.321 531 F C -0.850 174.867 175.800 -0.139 0.000 1.065 531 F CA -0.564 57.361 58.000 -0.124 0.000 0.934 531 F CB 1.882 40.682 39.000 -0.333 0.000 1.215 531 F HN 0.600 nan 8.300 nan 0.000 0.471 532 A N 2.837 125.286 122.820 -0.618 0.000 2.594 532 A HA 0.644 4.962 4.320 -0.003 0.000 0.291 532 A C -1.550 175.780 177.584 -0.425 0.000 1.105 532 A CA -0.848 50.904 52.037 -0.475 0.000 0.694 532 A CB 1.494 20.020 19.000 -0.790 0.000 1.291 532 A HN 0.733 nan 8.150 nan 0.000 0.410 533 E N 0.964 121.073 120.200 -0.151 0.000 2.222 533 E HA 0.568 4.916 4.350 -0.003 0.000 0.272 533 E C -1.143 175.419 176.600 -0.064 0.000 0.982 533 E CA -1.019 55.274 56.400 -0.178 0.000 0.842 533 E CB 1.122 30.738 29.700 -0.140 0.000 1.144 533 E HN 0.423 nan 8.360 nan 0.000 0.397 534 N N 2.015 120.605 118.700 -0.183 0.000 2.446 534 N HA 0.321 5.059 4.740 -0.003 0.000 0.265 534 N C -0.979 174.442 175.510 -0.148 0.000 0.975 534 N CA -0.531 52.465 53.050 -0.090 0.000 0.928 534 N CB 1.522 39.940 38.487 -0.116 0.000 1.160 534 N HN 0.385 nan 8.380 nan 0.000 0.495 535 R N 0.044 120.477 120.500 -0.112 0.000 2.803 535 R HA 0.508 4.846 4.340 -0.003 0.000 0.276 535 R C 0.297 176.542 176.300 -0.092 0.000 0.978 535 R CA -0.746 55.293 56.100 -0.100 0.000 0.939 535 R CB 1.625 31.880 30.300 -0.075 0.000 1.179 535 R HN 0.627 nan 8.270 nan 0.000 0.472 536 S N 0.415 116.070 115.700 -0.075 0.000 2.661 536 S HA -0.001 4.467 4.470 -0.003 0.000 0.265 536 S C 1.068 175.636 174.600 -0.054 0.000 1.225 536 S CA -0.540 57.621 58.200 -0.064 0.000 0.986 536 S CB 1.088 64.258 63.200 -0.049 0.000 1.008 536 S HN 0.670 nan 8.310 nan 0.000 0.565 537 Q N 1.164 120.937 119.800 -0.046 0.000 2.096 537 Q HA -0.174 4.164 4.340 -0.003 0.000 0.204 537 Q C 1.255 177.238 176.000 -0.029 0.000 0.982 537 Q CA 2.370 58.150 55.803 -0.038 0.000 0.850 537 Q CB -0.661 28.058 28.738 -0.032 0.000 0.901 537 Q HN 0.911 nan 8.270 nan 0.000 0.422 538 D N -2.073 118.312 120.400 -0.025 0.000 2.336 538 D HA 0.093 4.731 4.640 -0.003 0.000 0.229 538 D C 0.947 177.236 176.300 -0.019 0.000 1.061 538 D CA 0.763 54.752 54.000 -0.018 0.000 0.875 538 D CB -0.287 40.505 40.800 -0.014 0.000 0.904 538 D HN 0.424 nan 8.370 nan 0.000 0.525 539 G N -0.369 108.416 108.800 -0.026 0.000 2.176 539 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.253 539 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.253 539 G C 0.388 175.270 174.900 -0.030 0.000 0.979 539 G CA 0.247 45.331 45.100 -0.026 0.000 0.641 539 G HN 0.449 nan 8.290 nan 0.000 0.530 540 T N 1.469 116.004 114.554 -0.032 0.000 2.888 540 T HA 0.378 4.726 4.350 -0.003 0.000 0.301 540 T C 0.455 175.120 174.700 -0.058 0.000 1.001 540 T CA 0.058 62.138 62.100 -0.034 0.000 1.147 540 T CB 1.579 70.431 68.868 -0.027 0.000 0.931 540 T HN 0.621 nan 8.240 nan 0.000 0.541 541 L N 5.261 126.446 121.223 -0.064 0.000 2.385 541 L HA 0.232 4.570 4.340 -0.003 0.000 0.281 541 L C 0.650 177.448 176.870 -0.122 0.000 1.106 541 L CA 0.274 55.045 54.840 -0.115 0.000 0.856 541 L CB -0.287 41.708 42.059 -0.108 0.000 1.186 541 L HN 0.698 nan 8.230 nan 0.000 0.453 542 L N 4.889 126.020 121.223 -0.155 0.000 2.354 542 L HA 0.456 4.794 4.340 -0.003 0.000 0.212 542 L C 1.194 177.974 176.870 -0.150 0.000 1.091 542 L CA 0.514 55.278 54.840 -0.127 0.000 0.828 542 L CB -0.408 41.572 42.059 -0.133 0.000 0.973 542 L HN 0.887 nan 8.230 nan 0.000 0.461 543 G N -1.780 106.848 108.800 -0.287 0.000 2.441 543 G HA2 0.138 4.096 3.960 -0.003 0.000 0.222 543 G HA3 0.138 4.096 3.960 -0.003 0.000 0.222 543 G C -2.002 172.517 174.900 -0.635 0.000 1.254 543 G CA -0.711 44.208 45.100 -0.302 0.000 0.959 543 G HN -0.153 nan 8.290 nan 0.000 0.474 544 Y N -0.633 119.613 120.300 -0.090 0.000 2.615 544 Y HA 0.809 5.358 4.550 -0.003 0.000 0.341 544 Y C 0.257 175.945 175.900 -0.354 0.000 1.089 544 Y CA -0.720 57.195 58.100 -0.308 0.000 1.049 544 Y CB 2.511 40.753 38.460 -0.363 0.000 1.296 544 Y HN 0.623 nan 8.280 nan 0.000 0.470 545 S N 0.994 116.417 115.700 -0.461 0.000 2.546 545 S HA 0.583 5.051 4.470 -0.003 0.000 0.274 545 S C -1.206 173.117 174.600 -0.462 0.000 1.121 545 S CA -0.855 57.158 58.200 -0.312 0.000 0.887 545 S CB 1.240 64.337 63.200 -0.172 0.000 1.094 545 S HN 0.467 nan 8.310 nan 0.000 0.474 546 L N 2.167 123.345 121.223 -0.075 0.000 2.439 546 L HA 0.321 4.659 4.340 -0.003 0.000 0.269 546 L C 0.022 176.883 176.870 -0.015 0.000 1.179 546 L CA -0.304 54.593 54.840 0.094 0.000 0.828 546 L CB 0.165 42.361 42.059 0.228 0.000 1.106 546 L HN 0.530 nan 8.230 nan 0.000 0.467 547 L N 3.909 125.133 121.223 0.001 0.000 2.583 547 L HA 0.224 4.562 4.340 -0.003 0.000 0.239 547 L C -0.068 176.830 176.870 0.048 0.000 1.347 547 L CA 0.408 55.236 54.840 -0.020 0.000 1.246 547 L CB -0.405 41.643 42.059 -0.018 0.000 1.496 547 L HN 0.626 nan 8.230 nan 0.000 0.413 548 Q N 0.945 120.786 119.800 0.069 0.000 2.378 548 Q HA 0.253 4.591 4.340 -0.003 0.000 0.262 548 Q C -1.405 174.652 176.000 0.094 0.000 0.978 548 Q CA -0.614 55.247 55.803 0.097 0.000 0.918 548 Q CB 1.918 30.745 28.738 0.149 0.000 1.415 548 Q HN 0.307 nan 8.270 nan 0.000 0.409 549 E N 1.607 121.853 120.200 0.076 0.000 2.092 549 E HA 0.358 4.706 4.350 -0.003 0.000 0.271 549 E C -1.050 175.576 176.600 0.042 0.000 0.919 549 E CA -0.424 55.997 56.400 0.035 0.000 0.760 549 E CB 1.793 31.519 29.700 0.043 0.000 1.106 549 E HN 0.398 nan 8.360 nan 0.000 0.408 550 S N 1.774 117.476 115.700 0.005 0.000 2.545 550 S HA -0.015 4.454 4.470 -0.003 0.000 0.275 550 S C 1.103 175.658 174.600 -0.076 0.000 1.299 550 S CA -0.525 57.690 58.200 0.026 0.000 1.048 550 S CB 1.673 64.979 63.200 0.176 0.000 0.938 550 S HN 0.482 nan 8.310 nan 0.000 0.496 551 V N 3.117 122.989 119.914 -0.070 0.000 2.515 551 V HA -0.147 3.971 4.120 -0.003 0.000 0.250 551 V C 2.007 177.932 176.094 -0.280 0.000 1.058 551 V CA 2.347 64.555 62.300 -0.153 0.000 1.064 551 V CB -0.538 31.199 31.823 -0.144 0.000 0.675 551 V HN 1.004 nan 8.190 nan 0.000 0.461 552 D N -0.572 119.670 120.400 -0.263 0.000 2.123 552 D HA -0.275 4.363 4.640 -0.003 0.000 0.200 552 D C 2.026 178.013 176.300 -0.521 0.000 0.976 552 D CA 1.618 55.343 54.000 -0.459 0.000 0.831 552 D CB -0.556 40.081 40.800 -0.273 0.000 0.974 552 D HN 0.556 nan 8.370 nan 0.000 0.469 553 Q N 1.573 121.207 119.800 -0.276 0.000 2.061 553 Q HA -0.110 4.228 4.340 -0.003 0.000 0.204 553 Q C 2.198 177.990 176.000 -0.346 0.000 0.984 553 Q CA 2.720 58.292 55.803 -0.384 0.000 0.846 553 Q CB -0.772 27.464 28.738 -0.838 0.000 0.902 553 Q HN 0.300 nan 8.270 nan 0.000 0.421 554 A N -0.463 122.178 122.820 -0.300 0.000 1.933 554 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 554 A C 2.326 179.792 177.584 -0.196 0.000 1.175 554 A CA 1.856 53.758 52.037 -0.224 0.000 0.628 554 A CB -0.740 18.171 19.000 -0.149 0.000 0.814 554 A HN 0.459 nan 8.150 nan 0.000 0.444 555 S N -1.347 114.174 115.700 -0.298 0.000 2.406 555 S HA -0.071 4.397 4.470 -0.003 0.000 0.228 555 S C 1.720 176.218 174.600 -0.170 0.000 1.020 555 S CA 1.122 59.146 58.200 -0.293 0.000 0.965 555 S CB -0.457 62.461 63.200 -0.469 0.000 0.798 555 S HN 0.662 nan 8.310 nan 0.000 0.488 556 Y N 1.167 121.385 120.300 -0.136 0.000 2.314 556 Y HA 0.146 4.694 4.550 -0.003 0.000 0.293 556 Y C 2.359 178.165 175.900 -0.157 0.000 1.129 556 Y CA 0.198 58.219 58.100 -0.132 0.000 1.201 556 Y CB -0.526 37.830 38.460 -0.173 0.000 0.999 556 Y HN 0.195 nan 8.280 nan 0.000 0.541 557 M N -1.634 117.915 119.600 -0.086 0.000 2.175 557 M HA -0.220 4.258 4.480 -0.003 0.000 0.264 557 M C 2.058 178.340 176.300 -0.031 0.000 1.063 557 M CA 1.353 56.560 55.300 -0.155 0.000 1.119 557 M CB -1.405 31.048 32.600 -0.244 0.000 1.377 557 M HN 0.389 nan 8.290 nan 0.000 0.415 558 Y N 0.773 121.014 120.300 -0.099 0.000 2.145 558 Y HA -0.242 4.306 4.550 -0.003 0.000 0.286 558 Y C 2.870 178.757 175.900 -0.022 0.000 1.145 558 Y CA 2.239 60.297 58.100 -0.070 0.000 1.148 558 Y CB -0.432 37.953 38.460 -0.127 0.000 0.981 558 Y HN 0.250 nan 8.280 nan 0.000 0.507 559 S N -0.335 115.408 115.700 0.071 0.000 2.359 559 S HA -0.255 4.214 4.470 -0.003 0.000 0.224 559 S C 1.931 176.619 174.600 0.147 0.000 1.035 559 S CA 1.951 60.213 58.200 0.105 0.000 1.018 559 S CB -0.822 62.523 63.200 0.242 0.000 0.876 559 S HN 0.714 nan 8.310 nan 0.000 0.448 560 D N 1.111 121.572 120.400 0.101 0.000 2.104 560 D HA -0.113 4.525 4.640 -0.003 0.000 0.194 560 D C 2.031 178.326 176.300 -0.009 0.000 0.994 560 D CA 1.509 55.557 54.000 0.080 0.000 0.830 560 D CB -0.480 40.338 40.800 0.029 0.000 0.959 560 D HN 0.418 nan 8.370 nan 0.000 0.452 561 N N -0.949 117.728 118.700 -0.038 0.000 2.142 561 N HA -0.192 4.546 4.740 -0.003 0.000 0.186 561 N C 1.770 177.184 175.510 -0.161 0.000 1.023 561 N CA 1.068 54.068 53.050 -0.084 0.000 0.852 561 N CB -0.468 38.032 38.487 0.022 0.000 0.998 561 N HN 0.416 nan 8.380 nan 0.000 0.424 562 H N 0.177 119.017 119.070 -0.384 0.000 2.319 562 H HA -0.124 4.430 4.556 -0.003 0.000 0.299 562 H C 1.484 176.612 175.328 -0.334 0.000 1.092 562 H CA 1.857 57.628 56.048 -0.462 0.000 1.302 562 H CB -0.316 29.015 29.762 -0.720 0.000 1.373 562 H HN 0.206 nan 8.280 nan 0.000 0.497 563 Y N -0.212 119.985 120.300 -0.173 0.000 2.314 563 Y HA -0.040 4.508 4.550 -0.003 0.000 0.293 563 Y C 2.557 178.340 175.900 -0.195 0.000 1.129 563 Y CA 0.783 58.778 58.100 -0.176 0.000 1.201 563 Y CB -0.272 38.189 38.460 0.002 0.000 0.999 563 Y HN 0.197 nan 8.280 nan 0.000 0.541 564 L N -1.087 120.055 121.223 -0.136 0.000 2.093 564 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 564 L C 2.591 179.379 176.870 -0.137 0.000 1.085 564 L CA 1.023 55.687 54.840 -0.293 0.000 0.755 564 L CB -0.633 40.846 42.059 -0.966 0.000 0.904 564 L HN 0.228 nan 8.230 nan 0.000 0.435 565 A N -0.136 122.616 122.820 -0.113 0.000 1.877 565 A HA -0.226 4.093 4.320 -0.003 0.000 0.216 565 A C 2.134 179.678 177.584 -0.067 0.000 1.186 565 A CA 1.614 53.660 52.037 0.015 0.000 0.620 565 A CB -0.417 18.570 19.000 -0.021 0.000 0.822 565 A HN 0.423 nan 8.150 nan 0.000 0.443 566 E N -0.682 119.423 120.200 -0.158 0.000 2.077 566 E HA -0.190 4.158 4.350 -0.003 0.000 0.193 566 E C 2.096 178.621 176.600 -0.125 0.000 0.989 566 E CA 1.543 57.858 56.400 -0.141 0.000 0.800 566 E CB -0.260 29.352 29.700 -0.146 0.000 0.746 566 E HN 0.663 nan 8.360 nan 0.000 0.452 567 M N 0.127 119.658 119.600 -0.115 0.000 2.175 567 M HA -0.098 4.380 4.480 -0.003 0.000 0.264 567 M C 2.493 178.606 176.300 -0.311 0.000 1.063 567 M CA 1.185 56.365 55.300 -0.200 0.000 1.119 567 M CB -0.153 32.395 32.600 -0.086 0.000 1.377 567 M HN 0.119 nan 8.290 nan 0.000 0.415 568 A N 0.071 122.766 122.820 -0.209 0.000 1.908 568 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 568 A C 2.197 179.659 177.584 -0.204 0.000 1.181 568 A CA 2.300 54.182 52.037 -0.258 0.000 0.627 568 A CB -1.167 17.864 19.000 0.052 0.000 0.818 568 A HN 0.441 nan 8.150 nan 0.000 0.445 569 T N 0.402 114.875 114.554 -0.134 0.000 2.708 569 T HA -0.095 4.253 4.350 -0.003 0.000 0.266 569 T C 1.787 176.407 174.700 -0.133 0.000 1.037 569 T CA 1.367 63.402 62.100 -0.108 0.000 1.146 569 T CB -0.277 68.545 68.868 -0.077 0.000 0.865 569 T HN 0.296 nan 8.240 nan 0.000 0.435 570 I N 1.142 121.607 120.570 -0.175 0.000 2.264 570 I HA -0.062 4.106 4.170 -0.003 0.000 0.248 570 I C 1.995 177.993 176.117 -0.198 0.000 1.111 570 I CA 1.381 62.567 61.300 -0.190 0.000 1.382 570 I CB -1.019 36.792 38.000 -0.314 0.000 1.060 570 I HN 0.295 nan 8.210 nan 0.000 0.418 571 L N 0.230 121.293 121.223 -0.267 0.000 2.591 571 L HA 0.154 4.492 4.340 -0.003 0.000 0.228 571 L C 1.246 178.000 176.870 -0.193 0.000 1.133 571 L CA 0.411 55.092 54.840 -0.266 0.000 0.880 571 L CB -0.526 41.275 42.059 -0.430 0.000 1.033 571 L HN 0.459 nan 8.230 nan 0.000 0.450 572 G N 1.283 109.991 108.800 -0.153 0.000 2.225 572 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.264 572 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.264 572 G C 0.158 174.996 174.900 -0.103 0.000 1.060 572 G CA -0.006 45.030 45.100 -0.107 0.000 0.833 572 G HN 0.460 nan 8.290 nan 0.000 0.498 573 K N 0.369 120.696 120.400 -0.122 0.000 2.724 573 K HA 0.256 4.574 4.320 -0.003 0.000 0.198 573 K C -1.220 175.345 176.600 -0.059 0.000 1.099 573 K CA -1.442 54.791 56.287 -0.089 0.000 1.025 573 K CB 1.938 34.372 32.500 -0.111 0.000 1.509 573 K HN 0.165 nan 8.250 nan 0.000 0.564 574 P HA -0.226 nan 4.420 nan 0.000 0.216 574 P C 0.625 177.903 177.300 -0.036 0.000 1.150 574 P CA 1.414 64.491 63.100 -0.039 0.000 0.843 574 P CB 0.455 32.133 31.700 -0.036 0.000 0.787 575 E N 0.281 120.457 120.200 -0.040 0.000 2.152 575 E HA -0.123 4.225 4.350 -0.003 0.000 0.192 575 E C 2.087 178.642 176.600 -0.075 0.000 0.983 575 E CA 0.877 57.247 56.400 -0.050 0.000 0.818 575 E CB -0.358 29.314 29.700 -0.047 0.000 0.758 575 E HN 0.505 nan 8.360 nan 0.000 0.467 576 E N 0.719 120.884 120.200 -0.059 0.000 2.107 576 E HA -0.070 4.278 4.350 -0.003 0.000 0.191 576 E C 2.032 178.595 176.600 -0.062 0.000 0.982 576 E CA 0.793 57.136 56.400 -0.095 0.000 0.809 576 E CB -0.028 29.711 29.700 0.065 0.000 0.756 576 E HN 0.162 nan 8.360 nan 0.000 0.459 577 A N 1.808 124.648 122.820 0.034 0.000 1.902 577 A HA -0.221 4.098 4.320 -0.003 0.000 0.217 577 A C 1.962 179.560 177.584 0.023 0.000 1.181 577 A CA 1.371 53.454 52.037 0.076 0.000 0.623 577 A CB -0.265 18.745 19.000 0.017 0.000 0.818 577 A HN 0.034 nan 8.150 nan 0.000 0.443 578 K N -0.647 119.737 120.400 -0.027 0.000 2.057 578 K HA -0.135 4.184 4.320 -0.003 0.000 0.207 578 K C 2.337 178.901 176.600 -0.059 0.000 1.049 578 K CA 1.502 57.769 56.287 -0.035 0.000 0.931 578 K CB -0.208 32.267 32.500 -0.041 0.000 0.714 578 K HN 0.399 nan 8.250 nan 0.000 0.440 579 R N -0.311 120.106 120.500 -0.139 0.000 2.081 579 R HA -0.139 4.199 4.340 -0.003 0.000 0.235 579 R C 2.257 178.450 176.300 -0.178 0.000 1.131 579 R CA 1.494 57.472 56.100 -0.204 0.000 0.960 579 R CB -0.304 29.789 30.300 -0.344 0.000 0.856 579 R HN 0.244 nan 8.270 nan 0.000 0.436 580 Y N 0.363 120.637 120.300 -0.042 0.000 2.242 580 Y HA -0.099 4.449 4.550 -0.003 0.000 0.291 580 Y C 2.462 178.330 175.900 -0.055 0.000 1.137 580 Y CA 0.880 58.945 58.100 -0.059 0.000 1.181 580 Y CB -0.390 38.017 38.460 -0.088 0.000 0.989 580 Y HN -0.022 nan 8.280 nan 0.000 0.527 581 R N 0.350 120.905 120.500 0.091 0.000 2.096 581 R HA -0.226 4.112 4.340 -0.003 0.000 0.235 581 R C 2.312 178.635 176.300 0.038 0.000 1.127 581 R CA 1.710 57.835 56.100 0.042 0.000 0.968 581 R CB -0.209 30.107 30.300 0.027 0.000 0.861 581 R HN 0.442 nan 8.270 nan 0.000 0.440 582 Q N 0.277 120.094 119.800 0.027 0.000 2.079 582 Q HA -0.127 4.211 4.340 -0.003 0.000 0.200 582 Q C 2.094 178.119 176.000 0.043 0.000 0.974 582 Q CA 1.293 57.112 55.803 0.026 0.000 0.840 582 Q CB 0.022 28.761 28.738 0.000 0.000 0.898 582 Q HN 0.407 nan 8.270 nan 0.000 0.430 583 L N 0.100 121.356 121.223 0.056 0.000 2.093 583 L HA -0.131 4.207 4.340 -0.003 0.000 0.208 583 L C 2.558 179.475 176.870 0.078 0.000 1.085 583 L CA 0.891 55.779 54.840 0.080 0.000 0.755 583 L CB -0.587 41.564 42.059 0.153 0.000 0.904 583 L HN 0.294 nan 8.230 nan 0.000 0.435 584 A N -0.359 122.488 122.820 0.045 0.000 1.902 584 A HA -0.275 4.043 4.320 -0.003 0.000 0.217 584 A C 2.211 179.915 177.584 0.200 0.000 1.181 584 A CA 1.768 53.789 52.037 -0.026 0.000 0.623 584 A CB -0.504 18.302 19.000 -0.323 0.000 0.818 584 A HN 0.366 nan 8.150 nan 0.000 0.443 585 Q N 0.007 119.896 119.800 0.148 0.000 2.084 585 Q HA -0.209 4.129 4.340 -0.003 0.000 0.202 585 Q C 2.123 178.201 176.000 0.129 0.000 0.978 585 Q CA 2.311 58.208 55.803 0.158 0.000 0.844 585 Q CB -0.447 28.348 28.738 0.094 0.000 0.898 585 Q HN 0.775 nan 8.270 nan 0.000 0.426 586 Q N -0.538 119.322 119.800 0.101 0.000 2.084 586 Q HA -0.127 4.211 4.340 -0.003 0.000 0.202 586 Q C 2.181 178.247 176.000 0.110 0.000 0.978 586 Q CA 1.396 57.252 55.803 0.087 0.000 0.844 586 Q CB -0.135 28.636 28.738 0.056 0.000 0.898 586 Q HN 0.376 nan 8.270 nan 0.000 0.426 587 L N 0.185 121.479 121.223 0.119 0.000 2.056 587 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 587 L C 2.524 179.465 176.870 0.119 0.000 1.078 587 L CA 0.978 55.887 54.840 0.114 0.000 0.749 587 L CB -0.538 41.599 42.059 0.130 0.000 0.901 587 L HN 0.221 nan 8.230 nan 0.000 0.433 588 A N -0.197 122.698 122.820 0.125 0.000 1.902 588 A HA -0.247 4.071 4.320 -0.003 0.000 0.217 588 A C 1.916 179.496 177.584 -0.007 0.000 1.181 588 A CA 2.052 54.048 52.037 -0.068 0.000 0.623 588 A CB -0.563 18.365 19.000 -0.119 0.000 0.818 588 A HN 0.369 nan 8.150 nan 0.000 0.443 589 D N -1.760 118.673 120.400 0.055 0.000 2.117 589 D HA -0.160 4.478 4.640 -0.003 0.000 0.197 589 D C 1.668 178.015 176.300 0.078 0.000 0.987 589 D CA 1.486 55.518 54.000 0.053 0.000 0.829 589 D CB -0.433 40.406 40.800 0.064 0.000 0.961 589 D HN 0.632 nan 8.370 nan 0.000 0.460 590 Y N 1.054 121.351 120.300 -0.004 0.000 2.200 590 Y HA -0.113 4.435 4.550 -0.003 0.000 0.290 590 Y C 2.256 178.160 175.900 0.006 0.000 1.137 590 Y CA 1.119 59.219 58.100 -0.000 0.000 1.163 590 Y CB -0.170 38.284 38.460 -0.009 0.000 0.988 590 Y HN -0.109 nan 8.280 nan 0.000 0.518 591 I N 0.233 120.900 120.570 0.162 0.000 2.179 591 I HA -0.376 3.793 4.170 -0.003 0.000 0.242 591 I C 1.729 177.929 176.117 0.139 0.000 1.088 591 I CA 2.102 63.450 61.300 0.079 0.000 1.357 591 I CB -0.492 37.453 38.000 -0.092 0.000 1.051 591 I HN 0.288 nan 8.210 nan 0.000 0.409 592 N N -0.500 118.254 118.700 0.090 0.000 2.244 592 N HA -0.122 4.616 4.740 -0.003 0.000 0.183 592 N C 1.622 177.168 175.510 0.059 0.000 1.016 592 N CA 1.575 54.687 53.050 0.103 0.000 0.866 592 N CB 0.012 38.488 38.487 -0.020 0.000 0.980 592 N HN 0.269 nan 8.380 nan 0.000 0.430 593 T N -0.801 113.750 114.554 -0.005 0.000 2.852 593 T HA 0.012 4.360 4.350 -0.003 0.000 0.256 593 T C 1.980 176.630 174.700 -0.084 0.000 1.038 593 T CA 0.649 62.721 62.100 -0.046 0.000 1.141 593 T CB -0.177 68.639 68.868 -0.087 0.000 0.869 593 T HN 0.349 nan 8.240 nan 0.000 0.439 594 c N 0.797 119.272 118.600 -0.208 0.000 2.507 594 c HA 0.318 4.886 4.570 -0.003 0.000 0.280 594 c C 2.529 176.575 174.090 -0.073 0.000 1.345 594 c CA 0.115 56.287 56.329 -0.262 0.000 1.736 594 c CB -0.877 41.203 42.510 -0.717 0.000 2.060 594 c HN 0.501 nan 8.230 nan 0.000 0.498 595 M N -0.872 118.759 119.600 0.051 0.000 2.441 595 M HA 0.209 4.687 4.480 -0.003 0.000 0.244 595 M C 0.134 176.603 176.300 0.282 0.000 1.122 595 M CA 0.326 55.736 55.300 0.185 0.000 1.041 595 M CB 0.207 32.931 32.600 0.206 0.000 1.438 595 M HN 0.226 nan 8.290 nan 0.000 0.484 596 F N 1.731 121.694 119.950 0.022 0.000 2.411 596 F HA 0.282 4.807 4.527 -0.002 0.000 0.350 596 F C -0.167 175.575 175.800 -0.097 0.000 1.114 596 F CA -1.287 56.559 58.000 -0.257 0.000 1.135 596 F CB 0.520 39.236 39.000 -0.472 0.000 1.120 596 F HN -0.111 nan 8.300 nan 0.000 0.495 597 D N 8.397 128.386 120.400 -0.684 0.000 2.373 597 D HA 0.362 5.000 4.640 -0.003 0.000 0.227 597 D C -2.121 173.764 176.300 -0.692 0.000 1.091 597 D CA -2.460 51.281 54.000 -0.432 0.000 0.840 597 D CB 1.815 42.540 40.800 -0.125 0.000 1.060 597 D HN 0.215 nan 8.370 nan 0.000 0.502 598 P HA -0.125 nan 4.420 nan 0.000 0.216 598 P C 1.194 178.416 177.300 -0.130 0.000 1.150 598 P CA 1.139 64.137 63.100 -0.169 0.000 0.837 598 P CB 0.246 31.951 31.700 0.007 0.000 0.786 599 T N -1.026 113.459 114.554 -0.116 0.000 2.684 599 T HA -0.135 4.213 4.350 -0.003 0.000 0.267 599 T C 1.630 176.296 174.700 -0.057 0.000 1.036 599 T CA 2.250 64.308 62.100 -0.070 0.000 1.148 599 T CB -1.114 67.713 68.868 -0.069 0.000 0.863 599 T HN 0.329 nan 8.240 nan 0.000 0.436 600 T N -1.170 113.346 114.554 -0.064 0.000 3.069 600 T HA 0.135 4.483 4.350 -0.003 0.000 0.252 600 T C 0.358 175.060 174.700 0.004 0.000 1.053 600 T CA -0.209 61.894 62.100 0.005 0.000 0.964 600 T CB 0.043 68.974 68.868 0.106 0.000 1.005 600 T HN 0.193 nan 8.240 nan 0.000 0.532 601 Q N 0.216 119.932 119.800 -0.140 0.000 2.452 601 Q HA -0.149 4.189 4.340 -0.003 0.000 0.318 601 Q C -0.816 175.190 176.000 0.011 0.000 1.386 601 Q CA 0.662 56.392 55.803 -0.121 0.000 0.872 601 Q CB -2.106 26.693 28.738 0.102 0.000 1.151 601 Q HN 0.712 nan 8.270 nan 0.000 0.417 602 F N -0.990 118.643 119.950 -0.528 0.000 2.713 602 F HA 0.494 5.020 4.527 -0.002 0.000 0.311 602 F C -0.997 174.463 175.800 -0.566 0.000 1.141 602 F CA -1.176 56.603 58.000 -0.369 0.000 0.939 602 F CB 1.099 39.922 39.000 -0.294 0.000 1.325 602 F HN -0.029 nan 8.300 nan 0.000 0.453 603 Y N 1.789 121.642 120.300 -0.745 0.000 2.352 603 Y HA 0.618 5.166 4.550 -0.003 0.000 0.326 603 Y C -0.973 174.535 175.900 -0.654 0.000 1.166 603 Y CA -0.344 57.474 58.100 -0.470 0.000 1.182 603 Y CB 1.223 39.449 38.460 -0.390 0.000 1.216 603 Y HN 0.390 nan 8.280 nan 0.000 0.474 604 Y N -0.713 119.646 120.300 0.098 0.000 2.625 604 Y HA 0.275 4.823 4.550 -0.003 0.000 0.338 604 Y C -0.604 175.302 175.900 0.009 0.000 1.123 604 Y CA -1.622 56.504 58.100 0.043 0.000 1.046 604 Y CB 1.063 39.538 38.460 0.025 0.000 1.299 604 Y HN 0.452 nan 8.280 nan 0.000 0.464 605 D N 0.790 121.283 120.400 0.154 0.000 2.360 605 D HA 0.423 5.061 4.640 -0.003 0.000 0.242 605 D C -0.716 175.632 176.300 0.079 0.000 1.184 605 D CA 0.134 54.179 54.000 0.076 0.000 0.930 605 D CB 1.071 41.886 40.800 0.026 0.000 1.161 605 D HN 0.387 nan 8.370 nan 0.000 0.447 606 V N -1.805 118.151 119.914 0.070 0.000 2.823 606 V HA 0.621 4.739 4.120 -0.003 0.000 0.312 606 V C -0.087 176.036 176.094 0.049 0.000 1.072 606 V CA -1.103 61.227 62.300 0.050 0.000 0.937 606 V CB 1.914 33.776 31.823 0.065 0.000 1.013 606 V HN 0.340 nan 8.190 nan 0.000 0.430 607 R N 2.270 122.784 120.500 0.023 0.000 2.560 607 R HA 0.608 4.947 4.340 -0.003 0.000 0.270 607 R C -0.570 175.758 176.300 0.046 0.000 1.074 607 R CA -0.607 55.510 56.100 0.029 0.000 1.140 607 R CB 1.316 31.619 30.300 0.005 0.000 1.073 607 R HN 0.733 nan 8.270 nan 0.000 0.527 608 I N 2.623 123.224 120.570 0.051 0.000 2.282 608 I HA 0.093 4.261 4.170 -0.003 0.000 0.290 608 I C 0.348 176.493 176.117 0.048 0.000 1.090 608 I CA -0.039 61.298 61.300 0.061 0.000 1.231 608 I CB 0.610 38.651 38.000 0.069 0.000 1.434 608 I HN 0.451 nan 8.210 nan 0.000 0.487 609 E N 4.163 124.386 120.200 0.039 0.000 2.391 609 E HA 0.014 4.362 4.350 -0.003 0.000 0.255 609 E C 0.473 177.094 176.600 0.034 0.000 1.187 609 E CA -0.586 55.831 56.400 0.028 0.000 0.941 609 E CB 0.927 30.636 29.700 0.015 0.000 1.010 609 E HN 0.448 nan 8.360 nan 0.000 0.458 610 D N 0.710 121.125 120.400 0.027 0.000 2.172 610 D HA -0.155 4.483 4.640 -0.003 0.000 0.196 610 D C 0.320 176.637 176.300 0.028 0.000 0.999 610 D CA 1.656 55.673 54.000 0.029 0.000 0.856 610 D CB 0.059 40.871 40.800 0.019 0.000 0.934 610 D HN 0.335 nan 8.370 nan 0.000 0.453 611 K N 0.006 120.419 120.400 0.022 0.000 2.469 611 K HA 0.492 4.810 4.320 -0.003 0.000 0.254 611 K C -3.019 173.594 176.600 0.021 0.000 0.939 611 K CA -1.653 54.646 56.287 0.019 0.000 0.812 611 K CB 2.760 35.268 32.500 0.012 0.000 1.301 611 K HN -0.276 nan 8.250 nan 0.000 0.433 612 P HA 0.068 nan 4.420 nan 0.000 0.272 612 P C -0.170 177.138 177.300 0.014 0.000 1.240 612 P CA -0.452 62.664 63.100 0.028 0.000 0.791 612 P CB 0.660 32.382 31.700 0.037 0.000 0.978 613 L N 0.616 121.843 121.223 0.007 0.000 2.476 613 L HA 0.125 4.464 4.340 -0.003 0.000 0.255 613 L C 2.162 179.029 176.870 -0.005 0.000 1.218 613 L CA -0.330 54.506 54.840 -0.006 0.000 0.819 613 L CB -0.229 41.817 42.059 -0.021 0.000 1.119 613 L HN 0.427 nan 8.230 nan 0.000 0.485 614 A N 1.466 124.281 122.820 -0.009 0.000 1.978 614 A HA -0.201 4.117 4.320 -0.003 0.000 0.220 614 A C 1.647 179.227 177.584 -0.007 0.000 1.170 614 A CA 1.921 53.955 52.037 -0.006 0.000 0.636 614 A CB -0.835 18.160 19.000 -0.009 0.000 0.810 614 A HN 0.946 nan 8.150 nan 0.000 0.448 615 N N -1.245 117.446 118.700 -0.015 0.000 2.521 615 N HA 0.241 4.979 4.740 -0.003 0.000 0.188 615 N C 1.038 176.541 175.510 -0.012 0.000 1.146 615 N CA 1.354 54.393 53.050 -0.018 0.000 0.893 615 N CB -0.289 38.178 38.487 -0.034 0.000 0.975 615 N HN 0.787 nan 8.380 nan 0.000 0.451 616 G N -1.112 107.689 108.800 0.002 0.000 2.234 616 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.235 616 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.235 616 G C 0.103 175.036 174.900 0.056 0.000 0.997 616 G CA 0.040 45.159 45.100 0.032 0.000 0.623 616 G HN 0.502 nan 8.290 nan 0.000 0.514 617 c N 1.628 120.217 118.600 -0.019 0.000 2.657 617 c HA 0.531 5.099 4.570 -0.003 0.000 0.420 617 c C 2.442 176.566 174.090 0.056 0.000 1.323 617 c CA 0.562 56.854 56.329 -0.062 0.000 1.894 617 c CB 0.609 43.005 42.510 -0.190 0.000 2.681 617 c HN 0.989 nan 8.230 nan 0.000 0.613 618 A N 2.460 125.382 122.820 0.169 0.000 2.070 618 A HA 0.379 4.697 4.320 -0.003 0.000 0.220 618 A C 1.120 178.745 177.584 0.069 0.000 1.159 618 A CA 1.594 53.710 52.037 0.132 0.000 0.656 618 A CB -0.426 18.677 19.000 0.172 0.000 0.800 618 A HN 1.435 nan 8.150 nan 0.000 0.453 619 G N -1.766 107.059 108.800 0.041 0.000 2.349 619 G HA2 0.438 4.396 3.960 -0.003 0.000 0.294 619 G HA3 0.438 4.396 3.960 -0.003 0.000 0.294 619 G C -1.288 173.603 174.900 -0.015 0.000 1.380 619 G CA -0.913 44.194 45.100 0.011 0.000 0.811 619 G HN 0.164 nan 8.290 nan 0.000 0.519 620 K N 0.541 120.923 120.400 -0.031 0.000 2.202 620 K HA 0.406 4.724 4.320 -0.003 0.000 0.264 620 K C -2.385 174.179 176.600 -0.059 0.000 1.010 620 K CA -1.226 55.029 56.287 -0.053 0.000 0.940 620 K CB 0.934 33.395 32.500 -0.066 0.000 0.983 620 K HN 0.139 nan 8.250 nan 0.000 0.475 621 P HA 0.022 nan 4.420 nan 0.000 0.268 621 P C -0.384 176.813 177.300 -0.171 0.000 1.205 621 P CA 0.197 63.256 63.100 -0.069 0.000 0.771 621 P CB 0.312 31.975 31.700 -0.062 0.000 0.858 622 I N 2.941 123.422 120.570 -0.148 0.000 2.330 622 I HA -0.039 4.129 4.170 -0.003 0.000 0.280 622 I C 1.756 177.644 176.117 -0.383 0.000 1.069 622 I CA -0.086 61.082 61.300 -0.219 0.000 1.873 622 I CB -0.427 37.475 38.000 -0.163 0.000 1.476 622 I HN 0.233 nan 8.210 nan 0.000 0.813 623 V N 0.793 120.354 119.914 -0.588 0.000 2.490 623 V HA -0.225 3.893 4.120 -0.003 0.000 0.250 623 V C 2.290 178.151 176.094 -0.388 0.000 1.061 623 V CA 1.774 63.556 62.300 -0.863 0.000 1.064 623 V CB -0.650 30.756 31.823 -0.696 0.000 0.670 623 V HN 0.768 nan 8.190 nan 0.000 0.461 624 E N 1.596 121.645 120.200 -0.253 0.000 2.338 624 E HA -0.246 4.103 4.350 -0.003 0.000 0.197 624 E C 2.017 178.519 176.600 -0.164 0.000 1.007 624 E CA 1.285 57.627 56.400 -0.097 0.000 0.849 624 E CB -0.476 29.218 29.700 -0.009 0.000 0.774 624 E HN 0.667 nan 8.360 nan 0.000 0.506 625 R N 0.829 121.105 120.500 -0.374 0.000 2.310 625 R HA 0.171 4.509 4.340 -0.003 0.000 0.202 625 R C 0.723 177.024 176.300 0.001 0.000 0.933 625 R CA 0.482 56.259 56.100 -0.539 0.000 1.054 625 R CB 0.237 30.075 30.300 -0.771 0.000 0.985 625 R HN 0.312 nan 8.270 nan 0.000 0.489 626 G N 1.538 110.390 108.800 0.088 0.000 2.756 626 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.678 626 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.678 626 G C -1.080 174.035 174.900 0.358 0.000 1.349 626 G CA -0.900 44.331 45.100 0.220 0.000 0.847 626 G HN 0.137 nan 8.290 nan 0.000 0.548 627 K N 0.150 120.716 120.400 0.277 0.000 2.174 627 K HA 0.622 4.940 4.320 -0.003 0.000 0.275 627 K C 0.681 177.522 176.600 0.401 0.000 1.015 627 K CA 0.188 56.637 56.287 0.270 0.000 0.933 627 K CB 1.588 33.998 32.500 -0.151 0.000 1.025 627 K HN 1.069 nan 8.250 nan 0.000 0.463 628 G N 1.177 110.273 108.800 0.494 0.000 2.766 628 G HA2 0.296 4.254 3.960 -0.003 0.000 0.288 628 G HA3 0.296 4.254 3.960 -0.003 0.000 0.288 628 G C -2.332 172.556 174.900 -0.019 0.000 1.408 628 G CA -1.042 44.279 45.100 0.369 0.000 0.852 628 G HN 0.275 nan 8.290 nan 0.000 0.487 629 P HA -0.099 nan 4.420 nan 0.000 0.225 629 P C 1.308 177.899 177.300 -1.182 0.000 1.148 629 P CA 1.128 63.359 63.100 -1.448 0.000 0.779 629 P CB 0.229 31.569 31.700 -0.600 0.000 0.780 630 E N 0.522 120.408 120.200 -0.523 0.000 2.265 630 E HA -0.119 4.230 4.350 -0.003 0.000 0.196 630 E C 2.094 178.393 176.600 -0.502 0.000 0.996 630 E CA 1.488 57.641 56.400 -0.412 0.000 0.832 630 E CB -1.679 27.892 29.700 -0.214 0.000 0.756 630 E HN 0.217 nan 8.360 nan 0.000 0.491 631 G N 1.297 109.768 108.800 -0.548 0.000 2.448 631 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.219 631 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.219 631 G C 1.051 175.572 174.900 -0.632 0.000 1.127 631 G CA 0.731 45.337 45.100 -0.825 0.000 0.766 631 G HN 0.587 nan 8.290 nan 0.000 0.552 632 W N -0.684 120.391 121.300 -0.374 0.000 3.132 632 W HA 0.581 5.239 4.660 -0.004 0.000 0.364 632 W C 1.726 178.103 176.519 -0.236 0.000 1.129 632 W CA -0.298 56.879 57.345 -0.280 0.000 1.815 632 W CB -0.287 29.061 29.460 -0.186 0.000 1.099 632 W HN 0.002 nan 8.180 nan 0.000 0.605 633 S N 2.064 117.591 115.700 -0.287 0.000 2.382 633 S HA -0.082 4.386 4.470 -0.003 0.000 0.228 633 S C -0.463 173.952 174.600 -0.309 0.000 1.027 633 S CA 1.653 59.676 58.200 -0.294 0.000 0.991 633 S CB -0.997 61.898 63.200 -0.507 0.000 0.823 633 S HN 0.071 nan 8.310 nan 0.000 0.469 634 P HA 0.005 nan 4.420 nan 0.000 0.220 634 P C 0.995 178.106 177.300 -0.315 0.000 1.148 634 P CA 0.703 63.465 63.100 -0.565 0.000 0.803 634 P CB 0.052 31.088 31.700 -1.106 0.000 0.782 635 L N -2.338 118.790 121.223 -0.159 0.000 2.068 635 L HA -0.019 4.319 4.340 -0.003 0.000 0.204 635 L C 2.219 179.200 176.870 0.184 0.000 1.076 635 L CA 1.471 56.346 54.840 0.059 0.000 0.753 635 L CB -1.622 40.457 42.059 0.032 0.000 0.910 635 L HN -0.084 nan 8.230 nan 0.000 0.439 636 F N 0.944 120.897 119.950 0.005 0.000 2.095 636 F HA -0.233 4.292 4.527 -0.003 0.000 0.298 636 F C 2.201 177.978 175.800 -0.038 0.000 1.104 636 F CA 1.685 59.671 58.000 -0.023 0.000 1.232 636 F CB -0.427 38.528 39.000 -0.075 0.000 0.987 636 F HN 0.180 nan 8.300 nan 0.000 0.475 637 N N 0.248 118.726 118.700 -0.370 0.000 2.467 637 N HA 0.063 4.801 4.740 -0.003 0.000 0.184 637 N C 1.497 176.879 175.510 -0.214 0.000 1.106 637 N CA 1.032 53.849 53.050 -0.387 0.000 0.892 637 N CB -0.128 38.234 38.487 -0.208 0.000 0.969 637 N HN 0.511 nan 8.380 nan 0.000 0.454 638 G N 0.440 109.133 108.800 -0.179 0.000 2.147 638 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.244 638 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.244 638 G C 0.917 175.600 174.900 -0.362 0.000 1.005 638 G CA 0.480 45.496 45.100 -0.141 0.000 0.713 638 G HN 0.509 nan 8.290 nan 0.000 0.515 639 A N -0.680 121.749 122.820 -0.652 0.000 2.081 639 A HA 0.745 5.064 4.320 -0.003 0.000 0.214 639 A C 1.788 179.083 177.584 -0.481 0.000 1.158 639 A CA 1.716 53.135 52.037 -1.030 0.000 0.724 639 A CB -0.099 18.261 19.000 -1.066 0.000 0.826 639 A HN 2.106 nan 8.150 nan 0.000 0.463 640 A N 0.739 123.373 122.820 -0.310 0.000 2.445 640 A HA 0.483 4.801 4.320 -0.003 0.000 0.242 640 A C 0.892 178.391 177.584 -0.142 0.000 1.075 640 A CA 0.407 52.298 52.037 -0.243 0.000 0.777 640 A CB -0.336 18.435 19.000 -0.381 0.000 1.013 640 A HN 0.694 nan 8.150 nan 0.000 0.493 641 T N -0.173 114.286 114.554 -0.158 0.000 2.849 641 T HA 0.285 4.633 4.350 -0.003 0.000 0.284 641 T C 0.930 175.560 174.700 -0.117 0.000 1.004 641 T CA 0.132 62.176 62.100 -0.092 0.000 1.021 641 T CB 0.926 69.716 68.868 -0.131 0.000 1.013 641 T HN 0.638 nan 8.240 nan 0.000 0.527 642 Q N 1.310 121.124 119.800 0.023 0.000 2.096 642 Q HA -0.056 4.282 4.340 -0.003 0.000 0.204 642 Q C 2.359 178.328 176.000 -0.052 0.000 0.982 642 Q CA 2.310 58.156 55.803 0.071 0.000 0.850 642 Q CB -1.106 27.703 28.738 0.119 0.000 0.901 642 Q HN 0.926 nan 8.270 nan 0.000 0.422 643 A N 0.409 123.175 122.820 -0.090 0.000 1.877 643 A HA -0.212 4.106 4.320 -0.003 0.000 0.216 643 A C 1.908 179.356 177.584 -0.226 0.000 1.186 643 A CA 1.779 53.746 52.037 -0.118 0.000 0.620 643 A CB -0.757 18.171 19.000 -0.119 0.000 0.822 643 A HN 0.496 nan 8.150 nan 0.000 0.443 644 N N 0.324 118.780 118.700 -0.406 0.000 2.244 644 N HA -0.032 4.706 4.740 -0.003 0.000 0.183 644 N C 1.798 177.090 175.510 -0.362 0.000 1.016 644 N CA 1.399 54.039 53.050 -0.683 0.000 0.866 644 N CB -0.554 37.310 38.487 -1.037 0.000 0.980 644 N HN 0.473 nan 8.380 nan 0.000 0.430 645 A N 1.261 123.861 122.820 -0.365 0.000 1.898 645 A HA -0.132 4.187 4.320 -0.003 0.000 0.216 645 A C 1.739 179.215 177.584 -0.180 0.000 1.181 645 A CA 1.468 53.259 52.037 -0.409 0.000 0.620 645 A CB -0.388 18.015 19.000 -0.996 0.000 0.819 645 A HN 0.106 nan 8.150 nan 0.000 0.442 646 D N 0.304 120.664 120.400 -0.066 0.000 2.123 646 D HA -0.107 4.531 4.640 -0.003 0.000 0.196 646 D C 2.212 178.493 176.300 -0.032 0.000 0.992 646 D CA 1.586 55.604 54.000 0.030 0.000 0.833 646 D CB -0.438 40.429 40.800 0.112 0.000 0.954 646 D HN 0.440 nan 8.370 nan 0.000 0.455 647 A N 0.676 123.495 122.820 -0.002 0.000 1.873 647 A HA -0.120 4.198 4.320 -0.003 0.000 0.215 647 A C 2.577 180.232 177.584 0.118 0.000 1.186 647 A CA 1.175 53.264 52.037 0.087 0.000 0.616 647 A CB -0.770 18.358 19.000 0.214 0.000 0.823 647 A HN 0.140 nan 8.150 nan 0.000 0.442 648 V N -0.220 119.759 119.914 0.109 0.000 2.343 648 V HA -0.235 3.883 4.120 -0.003 0.000 0.247 648 V C 2.574 178.734 176.094 0.109 0.000 1.051 648 V CA 1.991 64.403 62.300 0.188 0.000 1.036 648 V CB -0.746 31.131 31.823 0.090 0.000 0.654 648 V HN 0.372 nan 8.190 nan 0.000 0.451 649 V N -0.286 119.564 119.914 -0.106 0.000 2.407 649 V HA -0.286 3.832 4.120 -0.003 0.000 0.248 649 V C 2.421 178.413 176.094 -0.169 0.000 1.055 649 V CA 1.979 64.118 62.300 -0.269 0.000 1.049 649 V CB -0.735 30.643 31.823 -0.740 0.000 0.662 649 V HN 0.555 nan 8.190 nan 0.000 0.455 650 K N -0.363 119.978 120.400 -0.098 0.000 2.097 650 K HA -0.125 4.193 4.320 -0.003 0.000 0.206 650 K C 2.049 178.673 176.600 0.039 0.000 1.049 650 K CA 1.323 57.594 56.287 -0.027 0.000 0.933 650 K CB -0.321 32.185 32.500 0.009 0.000 0.717 650 K HN 0.358 nan 8.250 nan 0.000 0.442 651 V N 1.520 121.500 119.914 0.110 0.000 2.358 651 V HA -0.232 3.887 4.120 -0.003 0.000 0.246 651 V C 2.208 178.438 176.094 0.226 0.000 1.047 651 V CA 1.586 63.978 62.300 0.153 0.000 1.035 651 V CB -0.361 31.585 31.823 0.206 0.000 0.658 651 V HN 0.329 nan 8.190 nan 0.000 0.452 652 M N -0.551 119.176 119.600 0.212 0.000 2.149 652 M HA -0.160 4.318 4.480 -0.003 0.000 0.261 652 M C 1.892 178.243 176.300 0.085 0.000 1.064 652 M CA 1.896 57.273 55.300 0.128 0.000 1.102 652 M CB -0.386 32.123 32.600 -0.151 0.000 1.369 652 M HN 0.252 nan 8.290 nan 0.000 0.408 653 L N -0.682 120.555 121.223 0.024 0.000 2.591 653 L HA 0.033 4.371 4.340 -0.003 0.000 0.228 653 L C 0.579 177.478 176.870 0.049 0.000 1.133 653 L CA -0.294 54.556 54.840 0.018 0.000 0.880 653 L CB -0.454 41.592 42.059 -0.022 0.000 1.033 653 L HN 0.127 nan 8.230 nan 0.000 0.450 654 D N 1.008 121.448 120.400 0.067 0.000 2.343 654 D HA 0.083 4.721 4.640 -0.003 0.000 0.255 654 D C -1.722 174.604 176.300 0.042 0.000 1.187 654 D CA -1.934 52.093 54.000 0.044 0.000 0.875 654 D CB 1.857 42.674 40.800 0.029 0.000 1.136 654 D HN -0.111 nan 8.370 nan 0.000 0.469 655 P HA -0.043 nan 4.420 nan 0.000 0.225 655 P C 0.589 177.881 177.300 -0.014 0.000 1.148 655 P CA 0.990 64.108 63.100 0.030 0.000 0.779 655 P CB 0.302 32.022 31.700 0.034 0.000 0.780 656 K N -1.098 119.279 120.400 -0.038 0.000 2.426 656 K HA 0.025 4.343 4.320 -0.003 0.000 0.193 656 K C 1.276 177.781 176.600 -0.158 0.000 1.028 656 K CA 0.641 56.877 56.287 -0.085 0.000 1.047 656 K CB 0.242 32.702 32.500 -0.067 0.000 0.821 656 K HN 0.186 nan 8.250 nan 0.000 0.513 657 E N -0.486 119.620 120.200 -0.156 0.000 2.645 657 E HA 0.123 4.472 4.350 -0.003 0.000 0.198 657 E C 1.037 177.374 176.600 -0.439 0.000 1.091 657 E CA 0.606 56.803 56.400 -0.338 0.000 1.096 657 E CB -0.036 29.522 29.700 -0.236 0.000 2.013 657 E HN 0.098 nan 8.360 nan 0.000 0.537 658 F N 0.594 120.572 119.950 0.047 0.000 2.728 658 F HA 0.262 4.788 4.527 -0.002 0.000 0.314 658 F C 0.951 176.820 175.800 0.115 0.000 1.094 658 F CA -0.398 57.681 58.000 0.131 0.000 1.217 658 F CB 0.489 39.617 39.000 0.213 0.000 1.056 658 F HN -0.103 nan 8.300 nan 0.000 0.577 659 N N 1.842 120.673 118.700 0.218 0.000 3.124 659 N HA 0.060 4.798 4.740 -0.003 0.000 0.284 659 N C -0.065 175.543 175.510 0.162 0.000 1.209 659 N CA 0.205 53.358 53.050 0.171 0.000 1.149 659 N CB -0.081 38.475 38.487 0.114 0.000 1.434 659 N HN 0.175 nan 8.380 nan 0.000 0.529 660 T N -1.914 112.766 114.554 0.209 0.000 2.884 660 T HA 0.219 4.567 4.350 -0.003 0.000 0.277 660 T C 1.417 176.277 174.700 0.266 0.000 0.976 660 T CA -0.735 61.496 62.100 0.220 0.000 0.956 660 T CB 0.451 69.463 68.868 0.241 0.000 1.113 660 T HN 0.143 nan 8.240 nan 0.000 0.554 661 F N 1.217 121.236 119.950 0.116 0.000 2.063 661 F HA -0.066 4.460 4.527 -0.002 0.000 0.298 661 F C 0.708 176.637 175.800 0.214 0.000 1.105 661 F CA 1.536 59.595 58.000 0.098 0.000 1.215 661 F CB -0.275 38.692 39.000 -0.054 0.000 0.972 661 F HN 0.285 nan 8.300 nan 0.000 0.483 662 V N 3.240 123.261 119.914 0.178 0.000 2.326 662 V HA 0.304 4.422 4.120 -0.003 0.000 0.281 662 V C -2.097 174.130 176.094 0.222 0.000 1.015 662 V CA -1.766 60.563 62.300 0.049 0.000 0.823 662 V CB 1.108 32.907 31.823 -0.041 0.000 1.009 662 V HN -0.008 nan 8.190 nan 0.000 0.436 663 P HA 0.347 nan 4.420 nan 0.000 0.276 663 P C 0.114 177.711 177.300 0.495 0.000 1.261 663 P CA -0.150 63.172 63.100 0.369 0.000 0.800 663 P CB 0.998 32.884 31.700 0.310 0.000 1.066 664 L N -2.471 119.023 121.223 0.452 0.000 3.533 664 L HA -0.178 4.160 4.340 -0.003 0.000 0.477 664 L C 0.929 178.241 176.870 0.736 0.000 1.306 664 L CA 0.209 55.321 54.840 0.452 0.000 0.850 664 L CB -2.325 39.767 42.059 0.056 0.000 1.654 664 L HN 0.618 nan 8.230 nan 0.000 0.863 665 G N -0.458 108.809 108.800 0.779 0.000 2.621 665 G HA2 0.277 4.235 3.960 -0.003 0.000 0.271 665 G HA3 0.277 4.235 3.960 -0.003 0.000 0.271 665 G C 0.928 176.285 174.900 0.761 0.000 1.236 665 G CA 0.402 45.922 45.100 0.701 0.000 0.958 665 G HN 0.310 nan 8.290 nan 0.000 0.512 666 T N -1.369 113.558 114.554 0.622 0.000 3.215 666 T HA 0.443 4.791 4.350 -0.003 0.000 0.254 666 T C 0.496 175.522 174.700 0.543 0.000 1.149 666 T CA 1.088 63.529 62.100 0.567 0.000 1.042 666 T CB -0.738 68.471 68.868 0.568 0.000 0.966 666 T HN 1.207 nan 8.240 nan 0.000 0.534 667 A N 0.099 123.288 122.820 0.615 0.000 2.555 667 A HA 0.753 5.071 4.320 -0.003 0.000 0.297 667 A C -0.244 177.558 177.584 0.362 0.000 1.060 667 A CA -0.445 51.905 52.037 0.522 0.000 0.710 667 A CB 0.671 19.967 19.000 0.494 0.000 1.282 667 A HN 0.477 nan 8.150 nan 0.000 0.399 668 A N 1.124 123.874 122.820 -0.117 0.000 2.366 668 A HA 0.542 4.861 4.320 -0.003 0.000 0.249 668 A C 1.079 178.383 177.584 -0.467 0.000 1.084 668 A CA -0.163 51.419 52.037 -0.758 0.000 0.794 668 A CB -0.126 18.237 19.000 -1.061 0.000 1.034 668 A HN 1.231 nan 8.150 nan 0.000 0.491 669 L N 0.799 121.624 121.223 -0.663 0.000 2.261 669 L HA -0.166 4.172 4.340 -0.003 0.000 0.216 669 L C 2.512 179.081 176.870 -0.502 0.000 1.114 669 L CA 1.829 56.132 54.840 -0.895 0.000 0.777 669 L CB -0.663 41.034 42.059 -0.603 0.000 0.910 669 L HN 0.986 nan 8.230 nan 0.000 0.440 670 T N -4.373 109.993 114.554 -0.313 0.000 3.100 670 T HA -0.024 4.324 4.350 -0.003 0.000 0.253 670 T C 0.989 175.677 174.700 -0.020 0.000 1.118 670 T CA -0.297 61.717 62.100 -0.144 0.000 1.058 670 T CB -0.364 68.424 68.868 -0.133 0.000 0.953 670 T HN 0.137 nan 8.240 nan 0.000 0.515 671 N N 2.867 121.576 118.700 0.015 0.000 2.468 671 N HA 0.091 4.829 4.740 -0.003 0.000 0.265 671 N C -1.930 173.723 175.510 0.239 0.000 1.199 671 N CA -1.488 51.665 53.050 0.172 0.000 0.928 671 N CB 1.629 40.261 38.487 0.242 0.000 1.059 671 N HN 0.003 nan 8.380 nan 0.000 0.467 672 P HA -0.071 nan 4.420 nan 0.000 0.219 672 P C 0.102 177.483 177.300 0.136 0.000 1.146 672 P CA 1.137 64.388 63.100 0.252 0.000 0.808 672 P CB 0.268 32.202 31.700 0.390 0.000 0.779 673 A N -2.141 120.783 122.820 0.174 0.000 2.423 673 A HA 0.188 4.506 4.320 -0.003 0.000 0.246 673 A C 0.362 178.047 177.584 0.170 0.000 1.278 673 A CA -0.588 51.496 52.037 0.078 0.000 0.903 673 A CB -1.226 17.807 19.000 0.056 0.000 0.997 673 A HN 0.100 nan 8.150 nan 0.000 0.510 674 F N 1.082 121.092 119.950 0.099 0.000 2.607 674 F HA 0.411 4.935 4.527 -0.005 0.000 0.374 674 F C 0.621 176.473 175.800 0.086 0.000 1.104 674 F CA 0.744 58.806 58.000 0.103 0.000 1.296 674 F CB 0.555 39.601 39.000 0.077 0.000 1.085 674 F HN 0.112 nan 8.300 nan 0.000 0.584 675 G N 4.482 112.714 108.800 -0.947 0.000 2.668 675 G HA2 0.501 4.459 3.960 -0.003 0.000 0.284 675 G HA3 0.501 4.459 3.960 -0.003 0.000 0.284 675 G C 0.022 174.396 174.900 -0.876 0.000 1.456 675 G CA -0.243 44.444 45.100 -0.689 0.000 1.214 675 G HN 1.073 nan 8.290 nan 0.000 0.568 676 A N 1.619 124.013 122.820 -0.709 0.000 2.024 676 A HA -0.020 4.298 4.320 -0.003 0.000 0.220 676 A C 1.508 179.010 177.584 -0.137 0.000 1.164 676 A CA 1.852 53.710 52.037 -0.300 0.000 0.643 676 A CB 0.038 19.040 19.000 0.003 0.000 0.806 676 A HN 0.498 nan 8.150 nan 0.000 0.451 677 D N -0.940 119.388 120.400 -0.121 0.000 2.395 677 D HA 0.225 4.863 4.640 -0.003 0.000 0.213 677 D C -0.025 176.286 176.300 0.018 0.000 1.110 677 D CA -0.040 53.936 54.000 -0.041 0.000 0.835 677 D CB 0.232 41.017 40.800 -0.026 0.000 0.965 677 D HN 0.414 nan 8.370 nan 0.000 0.505 678 I N 1.675 122.236 120.570 -0.015 0.000 2.396 678 I HA -0.032 4.136 4.170 -0.003 0.000 0.289 678 I C 1.450 177.681 176.117 0.189 0.000 1.056 678 I CA -0.604 60.747 61.300 0.085 0.000 1.365 678 I CB 0.714 38.736 38.000 0.037 0.000 1.407 678 I HN -0.145 nan 8.210 nan 0.000 0.509 679 Y N 5.179 125.482 120.300 0.005 0.000 2.062 679 Y HA -0.249 4.299 4.550 -0.003 0.000 0.276 679 Y C 1.399 177.248 175.900 -0.085 0.000 1.189 679 Y CA 2.051 60.129 58.100 -0.036 0.000 1.130 679 Y CB -0.332 38.119 38.460 -0.015 0.000 0.959 679 Y HN 0.600 nan 8.280 nan 0.000 0.499 680 W N -1.022 120.546 121.300 0.446 0.000 2.966 680 W HA 0.338 4.995 4.660 -0.004 0.000 0.406 680 W C 0.675 177.356 176.519 0.270 0.000 1.027 680 W CA -0.115 57.421 57.345 0.318 0.000 1.930 680 W CB 0.377 29.965 29.460 0.214 0.000 1.144 680 W HN -0.295 nan 8.180 nan 0.000 0.626 681 R N 0.023 120.742 120.500 0.365 0.000 2.637 681 R HA 0.357 4.696 4.340 -0.003 0.000 0.446 681 R C 0.844 177.235 176.300 0.152 0.000 1.024 681 R CA 0.388 56.659 56.100 0.286 0.000 1.080 681 R CB 0.787 31.221 30.300 0.223 0.000 1.421 681 R HN 0.241 nan 8.270 nan 0.000 0.593 682 G N 0.303 109.235 108.800 0.219 0.000 4.018 682 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.195 682 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.195 682 G C -0.133 174.923 174.900 0.260 0.000 1.019 682 G CA -0.724 44.477 45.100 0.167 0.000 0.871 682 G HN -0.026 nan 8.290 nan 0.000 0.339 683 R N 1.001 121.597 120.500 0.160 0.000 2.698 683 R HA 0.413 4.751 4.340 -0.003 0.000 0.266 683 R C 0.024 176.484 176.300 0.267 0.000 1.026 683 R CA -0.011 56.154 56.100 0.109 0.000 1.102 683 R CB 0.781 31.002 30.300 -0.132 0.000 0.978 683 R HN 0.171 nan 8.270 nan 0.000 0.436 684 V N 3.559 123.617 119.914 0.238 0.000 2.407 684 V HA 0.223 4.341 4.120 -0.003 0.000 0.278 684 V C -0.349 175.927 176.094 0.303 0.000 1.037 684 V CA -0.534 62.004 62.300 0.398 0.000 0.900 684 V CB 0.786 32.855 31.823 0.410 0.000 0.983 684 V HN 0.563 nan 8.190 nan 0.000 0.459 685 W N 2.691 124.139 121.300 0.247 0.000 2.570 685 W HA 0.549 5.207 4.660 -0.004 0.000 0.337 685 W C 0.968 177.686 176.519 0.332 0.000 1.067 685 W CA -0.689 56.800 57.345 0.240 0.000 1.229 685 W CB 1.475 31.084 29.460 0.248 0.000 1.355 685 W HN 0.317 nan 8.180 nan 0.000 0.555 686 V N 1.666 121.905 119.914 0.543 0.000 2.626 686 V HA -0.257 3.861 4.120 -0.003 0.000 0.252 686 V C 1.952 178.106 176.094 0.101 0.000 1.067 686 V CA 2.206 64.729 62.300 0.372 0.000 1.081 686 V CB -0.722 31.345 31.823 0.405 0.000 0.686 686 V HN 0.689 nan 8.190 nan 0.000 0.468 687 D N -0.123 120.201 120.400 -0.127 0.000 2.097 687 D HA -0.222 4.416 4.640 -0.003 0.000 0.197 687 D C 1.962 177.647 176.300 -1.024 0.000 0.984 687 D CA 1.157 54.393 54.000 -1.272 0.000 0.826 687 D CB -0.464 39.490 40.800 -1.409 0.000 0.973 687 D HN 0.349 nan 8.370 nan 0.000 0.460 688 Q N -0.444 119.261 119.800 -0.160 0.000 2.119 688 Q HA -0.071 4.267 4.340 -0.003 0.000 0.201 688 Q C 2.142 178.372 176.000 0.385 0.000 0.972 688 Q CA 0.541 56.516 55.803 0.287 0.000 0.847 688 Q CB -0.681 28.384 28.738 0.545 0.000 0.903 688 Q HN 0.419 nan 8.270 nan 0.000 0.433 689 F N -0.209 119.829 119.950 0.147 0.000 2.075 689 F HA -0.224 4.301 4.527 -0.003 0.000 0.297 689 F C 2.129 177.877 175.800 -0.086 0.000 1.113 689 F CA 1.555 59.577 58.000 0.037 0.000 1.218 689 F CB -0.500 38.499 39.000 -0.002 0.000 0.984 689 F HN 0.147 nan 8.300 nan 0.000 0.472 690 W N 0.124 121.291 121.300 -0.222 0.000 2.363 690 W HA -0.227 4.431 4.660 -0.004 0.000 0.296 690 W C 1.922 178.321 176.519 -0.201 0.000 1.212 690 W CA 1.869 59.061 57.345 -0.255 0.000 1.260 690 W CB -0.635 28.781 29.460 -0.074 0.000 1.131 690 W HN 0.053 nan 8.180 nan 0.000 0.530 691 F N 0.611 120.453 119.950 -0.179 0.000 2.126 691 F HA -0.059 4.466 4.527 -0.003 0.000 0.299 691 F C 2.590 178.212 175.800 -0.297 0.000 1.096 691 F CA 1.443 59.144 58.000 -0.499 0.000 1.255 691 F CB -1.577 37.161 39.000 -0.436 0.000 0.997 691 F HN -0.001 nan 8.300 nan 0.000 0.479 692 G N -0.177 108.482 108.800 -0.236 0.000 2.421 692 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.216 692 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.216 692 G C 1.691 176.180 174.900 -0.685 0.000 1.171 692 G CA 0.611 45.195 45.100 -0.860 0.000 0.775 692 G HN 0.212 nan 8.290 nan 0.000 0.543 693 L N 0.544 121.285 121.223 -0.804 0.000 2.046 693 L HA 0.034 4.372 4.340 -0.003 0.000 0.208 693 L C 2.779 179.317 176.870 -0.554 0.000 1.077 693 L CA 1.355 55.656 54.840 -0.898 0.000 0.747 693 L CB -0.338 40.867 42.059 -1.424 0.000 0.896 693 L HN 0.039 nan 8.230 nan 0.000 0.432 694 K N -0.536 119.610 120.400 -0.422 0.000 2.097 694 K HA -0.033 4.285 4.320 -0.003 0.000 0.206 694 K C 2.089 178.711 176.600 0.038 0.000 1.049 694 K CA 1.277 57.493 56.287 -0.118 0.000 0.933 694 K CB -0.900 31.440 32.500 -0.266 0.000 0.717 694 K HN 0.424 nan 8.250 nan 0.000 0.442 695 G N 1.180 110.014 108.800 0.057 0.000 2.418 695 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.217 695 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.217 695 G C 1.665 176.661 174.900 0.160 0.000 1.158 695 G CA 0.738 45.930 45.100 0.154 0.000 0.771 695 G HN 0.171 nan 8.290 nan 0.000 0.545 696 M N 0.100 119.696 119.600 -0.006 0.000 2.067 696 M HA -0.036 4.442 4.480 -0.003 0.000 0.260 696 M C 2.455 178.875 176.300 0.199 0.000 1.069 696 M CA 1.784 57.114 55.300 0.050 0.000 1.117 696 M CB -0.346 32.173 32.600 -0.135 0.000 1.334 696 M HN 0.369 nan 8.290 nan 0.000 0.407 697 E N 0.646 120.912 120.200 0.110 0.000 2.085 697 E HA -0.259 4.089 4.350 -0.003 0.000 0.194 697 E C 2.147 178.802 176.600 0.091 0.000 0.994 697 E CA 1.232 57.720 56.400 0.147 0.000 0.801 697 E CB -0.108 29.739 29.700 0.245 0.000 0.743 697 E HN 0.352 nan 8.360 nan 0.000 0.453 698 R N -0.519 120.015 120.500 0.057 0.000 2.105 698 R HA -0.174 4.164 4.340 -0.003 0.000 0.239 698 R C 0.847 176.979 176.300 -0.280 0.000 1.135 698 R CA 1.536 57.562 56.100 -0.124 0.000 0.967 698 R CB -0.168 30.012 30.300 -0.200 0.000 0.861 698 R HN 0.294 nan 8.270 nan 0.000 0.442 699 Y N -0.657 119.685 120.300 0.070 0.000 2.625 699 Y HA 0.276 4.824 4.550 -0.003 0.000 0.285 699 Y C 1.078 176.977 175.900 -0.001 0.000 1.168 699 Y CA 0.378 58.525 58.100 0.079 0.000 1.250 699 Y CB 0.979 39.531 38.460 0.152 0.000 1.130 699 Y HN 0.372 nan 8.280 nan 0.000 0.526 700 G N -0.762 108.036 108.800 -0.004 0.000 2.132 700 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.234 700 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.234 700 G C -0.194 174.471 174.900 -0.390 0.000 0.989 700 G CA -0.228 44.745 45.100 -0.212 0.000 0.676 700 G HN 0.468 nan 8.290 nan 0.000 0.522 701 Y N -0.320 120.004 120.300 0.040 0.000 2.722 701 Y HA 0.399 4.948 4.550 -0.003 0.000 0.314 701 Y C 1.900 177.806 175.900 0.009 0.000 1.008 701 Y CA -0.084 58.027 58.100 0.017 0.000 1.294 701 Y CB 0.315 38.774 38.460 -0.000 0.000 1.231 701 Y HN 0.266 nan 8.280 nan 0.000 0.558 702 R N 0.564 121.130 120.500 0.110 0.000 2.105 702 R HA -0.168 4.170 4.340 -0.003 0.000 0.239 702 R C 1.135 177.506 176.300 0.117 0.000 1.135 702 R CA 2.160 58.344 56.100 0.140 0.000 0.967 702 R CB 0.067 30.441 30.300 0.123 0.000 0.861 702 R HN 0.342 nan 8.270 nan 0.000 0.442 703 D N 0.629 121.079 120.400 0.084 0.000 2.123 703 D HA -0.171 4.468 4.640 -0.003 0.000 0.196 703 D C 1.346 177.689 176.300 0.071 0.000 0.992 703 D CA 1.273 55.317 54.000 0.074 0.000 0.833 703 D CB -0.289 40.544 40.800 0.056 0.000 0.954 703 D HN 0.328 nan 8.370 nan 0.000 0.455 704 D N 0.406 120.856 120.400 0.084 0.000 2.183 704 D HA -0.045 4.593 4.640 -0.003 0.000 0.203 704 D C 2.011 178.292 176.300 -0.033 0.000 0.969 704 D CA 0.752 54.780 54.000 0.046 0.000 0.842 704 D CB 0.026 40.868 40.800 0.071 0.000 0.957 704 D HN 0.101 nan 8.370 nan 0.000 0.484 705 A N 0.906 123.682 122.820 -0.074 0.000 1.898 705 A HA -0.101 4.217 4.320 -0.003 0.000 0.216 705 A C 2.386 179.850 177.584 -0.200 0.000 1.181 705 A CA 0.732 52.597 52.037 -0.287 0.000 0.620 705 A CB -0.715 18.024 19.000 -0.435 0.000 0.819 705 A HN 0.172 nan 8.150 nan 0.000 0.442 706 L N -0.613 120.622 121.223 0.019 0.000 2.083 706 L HA -0.220 4.118 4.340 -0.003 0.000 0.209 706 L C 2.578 179.509 176.870 0.102 0.000 1.083 706 L CA 1.696 56.616 54.840 0.132 0.000 0.752 706 L CB -0.411 41.739 42.059 0.153 0.000 0.899 706 L HN 0.374 nan 8.230 nan 0.000 0.433 707 K N 0.062 120.498 120.400 0.061 0.000 2.057 707 K HA -0.134 4.184 4.320 -0.003 0.000 0.206 707 K C 2.086 178.732 176.600 0.077 0.000 1.050 707 K CA 1.115 57.439 56.287 0.062 0.000 0.935 707 K CB -0.210 32.316 32.500 0.044 0.000 0.715 707 K HN 0.255 nan 8.250 nan 0.000 0.439 708 L N 0.588 121.841 121.223 0.050 0.000 2.131 708 L HA -0.158 4.180 4.340 -0.003 0.000 0.210 708 L C 2.578 179.639 176.870 0.317 0.000 1.092 708 L CA 0.925 55.836 54.840 0.119 0.000 0.759 708 L CB -0.595 41.454 42.059 -0.018 0.000 0.903 708 L HN 0.219 nan 8.230 nan 0.000 0.435 709 A N 0.056 123.039 122.820 0.272 0.000 1.930 709 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 709 A C 1.952 179.868 177.584 0.553 0.000 1.175 709 A CA 1.984 54.327 52.037 0.510 0.000 0.627 709 A CB -0.530 18.713 19.000 0.405 0.000 0.815 709 A HN 0.469 nan 8.150 nan 0.000 0.443 710 D N -1.128 119.460 120.400 0.313 0.000 2.144 710 D HA -0.106 4.532 4.640 -0.003 0.000 0.200 710 D C 1.857 178.216 176.300 0.098 0.000 0.978 710 D CA 1.891 56.009 54.000 0.197 0.000 0.833 710 D CB -0.121 40.738 40.800 0.099 0.000 0.961 710 D HN 0.317 nan 8.370 nan 0.000 0.470 711 T N -0.513 114.064 114.554 0.038 0.000 2.708 711 T HA -0.143 4.205 4.350 -0.003 0.000 0.266 711 T C 1.554 176.108 174.700 -0.244 0.000 1.037 711 T CA 1.131 63.105 62.100 -0.211 0.000 1.146 711 T CB -0.618 68.192 68.868 -0.096 0.000 0.865 711 T HN 0.251 nan 8.240 nan 0.000 0.435 712 F N 0.916 120.803 119.950 -0.105 0.000 2.102 712 F HA -0.069 4.456 4.527 -0.003 0.000 0.298 712 F C 1.892 177.590 175.800 -0.169 0.000 1.105 712 F CA 1.060 58.931 58.000 -0.215 0.000 1.239 712 F CB -0.432 38.413 39.000 -0.259 0.000 0.991 712 F HN 0.111 nan 8.300 nan 0.000 0.474 713 F N 1.235 121.203 119.950 0.031 0.000 2.171 713 F HA -0.136 4.389 4.527 -0.003 0.000 0.300 713 F C 2.396 178.029 175.800 -0.278 0.000 1.090 713 F CA 1.704 59.590 58.000 -0.190 0.000 1.293 713 F CB -0.350 38.465 39.000 -0.308 0.000 1.013 713 F HN -0.138 nan 8.300 nan 0.000 0.486 714 R N -1.750 118.623 120.500 -0.212 0.000 2.161 714 R HA 0.005 4.343 4.340 -0.003 0.000 0.213 714 R C 1.519 177.675 176.300 -0.240 0.000 1.055 714 R CA 1.283 57.231 56.100 -0.254 0.000 0.996 714 R CB -0.331 29.801 30.300 -0.280 0.000 0.901 714 R HN 0.477 nan 8.270 nan 0.000 0.456 715 H N -0.722 118.049 119.070 -0.498 0.000 2.729 715 H HA 0.302 4.856 4.556 -0.003 0.000 0.263 715 H C 0.201 175.181 175.328 -0.579 0.000 0.961 715 H CA -0.365 55.282 56.048 -0.669 0.000 1.217 715 H CB 0.704 29.680 29.762 -1.310 0.000 1.447 715 H HN 0.055 nan 8.280 nan 0.000 0.496 716 A N 2.702 125.073 122.820 -0.749 0.000 2.473 716 A HA 0.046 4.364 4.320 -0.003 0.000 0.282 716 A C 0.164 177.490 177.584 -0.431 0.000 1.163 716 A CA -0.272 51.161 52.037 -1.005 0.000 0.827 716 A CB -0.069 17.777 19.000 -1.924 0.000 1.098 716 A HN 0.132 nan 8.150 nan 0.000 0.515 717 K N 1.636 121.961 120.400 -0.125 0.000 2.524 717 K HA 0.146 4.464 4.320 -0.003 0.000 0.279 717 K C 1.395 177.992 176.600 -0.004 0.000 0.993 717 K CA 1.264 57.540 56.287 -0.017 0.000 1.030 717 K CB 0.229 32.760 32.500 0.051 0.000 0.891 717 K HN 1.536 nan 8.250 nan 0.000 0.488 718 G N 1.918 110.692 108.800 -0.044 0.000 2.189 718 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.267 718 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.267 718 G C 0.812 175.677 174.900 -0.059 0.000 0.975 718 G CA 0.489 45.568 45.100 -0.035 0.000 0.644 718 G HN 0.539 nan 8.290 nan 0.000 0.537 719 L N 1.473 122.612 121.223 -0.139 0.000 2.042 719 L HA 0.034 4.373 4.340 -0.003 0.000 0.210 719 L C 2.896 179.660 176.870 -0.175 0.000 1.076 719 L CA 3.411 58.140 54.840 -0.185 0.000 0.749 719 L CB -0.596 41.202 42.059 -0.435 0.000 0.893 719 L HN 0.682 nan 8.230 nan 0.000 0.432 720 T N -3.303 111.123 114.554 -0.213 0.000 3.122 720 T HA 0.548 4.896 4.350 -0.003 0.000 0.250 720 T C 0.653 175.332 174.700 -0.034 0.000 1.067 720 T CA 0.104 62.136 62.100 -0.114 0.000 0.966 720 T CB -0.304 68.488 68.868 -0.126 0.000 1.002 720 T HN 0.335 nan 8.240 nan 0.000 0.542 721 A N 2.200 125.002 122.820 -0.030 0.000 2.274 721 A HA 0.571 4.889 4.320 -0.003 0.000 0.297 721 A C 0.802 178.400 177.584 0.023 0.000 1.191 721 A CA -0.266 51.771 52.037 0.000 0.000 0.889 721 A CB 0.506 19.504 19.000 -0.004 0.000 1.294 721 A HN 0.408 nan 8.150 nan 0.000 0.506 722 D N -0.603 119.818 120.400 0.034 0.000 2.395 722 D HA 0.249 4.887 4.640 -0.003 0.000 0.226 722 D C 0.565 176.898 176.300 0.055 0.000 1.146 722 D CA 0.349 54.380 54.000 0.051 0.000 0.830 722 D CB -0.566 40.268 40.800 0.057 0.000 0.958 722 D HN 0.542 nan 8.370 nan 0.000 0.501 723 G N 1.103 109.929 108.800 0.042 0.000 2.537 723 G HA2 0.457 4.415 3.960 -0.003 0.000 0.273 723 G HA3 0.457 4.415 3.960 -0.003 0.000 0.273 723 G C -2.419 172.509 174.900 0.047 0.000 1.189 723 G CA -1.216 43.909 45.100 0.041 0.000 0.881 723 G HN 0.039 nan 8.290 nan 0.000 0.535 724 P HA 0.210 nan 4.420 nan 0.000 0.274 724 P C -0.129 177.188 177.300 0.029 0.000 1.237 724 P CA -0.252 62.879 63.100 0.051 0.000 0.793 724 P CB 1.295 33.027 31.700 0.054 0.000 0.977 725 I N 1.614 122.213 120.570 0.047 0.000 2.496 725 I HA 0.053 4.221 4.170 -0.003 0.000 0.285 725 I C 1.347 177.461 176.117 -0.005 0.000 1.080 725 I CA 0.283 61.610 61.300 0.046 0.000 1.404 725 I CB 0.122 38.181 38.000 0.097 0.000 1.403 725 I HN 0.312 nan 8.210 nan 0.000 0.539 726 Q N 4.158 123.893 119.800 -0.109 0.000 2.738 726 Q HA 0.305 4.643 4.340 -0.003 0.000 0.197 726 Q C 0.430 176.185 176.000 -0.408 0.000 1.012 726 Q CA -0.749 54.899 55.803 -0.257 0.000 0.968 726 Q CB 1.157 29.689 28.738 -0.343 0.000 1.590 726 Q HN 0.525 nan 8.270 nan 0.000 0.490 727 E N -0.047 119.692 120.200 -0.768 0.000 2.127 727 E HA -0.034 4.314 4.350 -0.003 0.000 0.191 727 E C -0.220 175.569 176.600 -1.351 0.000 0.964 727 E CA 0.666 56.343 56.400 -1.204 0.000 0.832 727 E CB 0.330 29.054 29.700 -1.627 0.000 0.790 727 E HN 0.470 nan 8.360 nan 0.000 0.465 728 N N -1.326 116.554 118.700 -1.366 0.000 3.039 728 N HA 0.266 5.004 4.740 -0.003 0.000 0.257 728 N C -1.602 173.286 175.510 -1.036 0.000 1.497 728 N CA -0.743 51.524 53.050 -1.305 0.000 0.861 728 N CB 0.583 37.947 38.487 -1.872 0.000 1.479 728 N HN -0.154 nan 8.380 nan 0.000 0.547 729 Y N -1.372 118.702 120.300 -0.377 0.000 2.512 729 Y HA 0.450 4.998 4.550 -0.004 0.000 0.348 729 Y C -0.154 175.680 175.900 -0.109 0.000 0.990 729 Y CA -1.085 56.898 58.100 -0.196 0.000 1.033 729 Y CB 1.656 40.048 38.460 -0.112 0.000 1.259 729 Y HN 0.576 nan 8.280 nan 0.000 0.461 730 N N 4.565 123.327 118.700 0.103 0.000 2.475 730 N HA 0.075 4.813 4.740 -0.003 0.000 0.267 730 N C -1.846 173.776 175.510 0.187 0.000 1.169 730 N CA -1.583 51.523 53.050 0.093 0.000 0.947 730 N CB 1.384 39.902 38.487 0.051 0.000 1.061 730 N HN 0.376 nan 8.380 nan 0.000 0.466 731 P HA -0.084 nan 4.420 nan 0.000 0.223 731 P C 1.164 178.646 177.300 0.303 0.000 1.151 731 P CA 1.004 64.283 63.100 0.298 0.000 0.787 731 P CB 0.471 32.397 31.700 0.376 0.000 0.788 732 L N -0.667 120.690 121.223 0.225 0.000 2.354 732 L HA 0.080 4.418 4.340 -0.003 0.000 0.212 732 L C 2.368 179.183 176.870 -0.091 0.000 1.091 732 L CA 1.725 56.636 54.840 0.119 0.000 0.828 732 L CB -0.882 41.230 42.059 0.087 0.000 0.973 732 L HN 0.092 nan 8.230 nan 0.000 0.461 733 T N -5.303 109.234 114.554 -0.027 0.000 2.959 733 T HA 0.281 4.629 4.350 -0.003 0.000 0.254 733 T C 1.443 176.196 174.700 0.089 0.000 1.003 733 T CA 0.579 62.570 62.100 -0.181 0.000 0.950 733 T CB 1.020 69.815 68.868 -0.121 0.000 1.090 733 T HN 0.313 nan 8.240 nan 0.000 0.503 734 G N 1.764 110.714 108.800 0.250 0.000 2.179 734 G HA2 -0.050 3.908 3.960 -0.003 0.000 0.260 734 G HA3 -0.050 3.908 3.960 -0.003 0.000 0.260 734 G C 0.355 175.373 174.900 0.195 0.000 0.977 734 G CA -0.014 45.224 45.100 0.230 0.000 0.641 734 G HN 1.293 nan 8.290 nan 0.000 0.533 735 A N 0.142 123.028 122.820 0.109 0.000 2.477 735 A HA 0.579 4.897 4.320 -0.003 0.000 0.246 735 A C 0.666 178.245 177.584 -0.009 0.000 1.078 735 A CA 0.420 52.483 52.037 0.042 0.000 0.770 735 A CB 0.257 19.254 19.000 -0.005 0.000 1.011 735 A HN 0.573 nan 8.150 nan 0.000 0.494 736 Q N 0.968 120.721 119.800 -0.078 0.000 2.260 736 Q HA 0.481 4.819 4.340 -0.003 0.000 0.242 736 Q C -0.544 175.298 176.000 -0.264 0.000 0.932 736 Q CA -0.086 55.552 55.803 -0.274 0.000 0.891 736 Q CB 1.151 29.723 28.738 -0.278 0.000 1.222 736 Q HN 0.812 nan 8.270 nan 0.000 0.453 737 Q N -0.548 119.008 119.800 -0.406 0.000 2.482 737 Q HA 0.639 4.977 4.340 -0.003 0.000 0.286 737 Q C -0.897 174.832 176.000 -0.451 0.000 1.007 737 Q CA -0.522 55.093 55.803 -0.314 0.000 0.801 737 Q CB 2.617 31.215 28.738 -0.234 0.000 1.455 737 Q HN 0.890 nan 8.270 nan 0.000 0.398 738 G N 0.136 108.791 108.800 -0.242 0.000 2.479 738 G HA2 0.222 4.180 3.960 -0.003 0.000 0.686 738 G HA3 0.222 4.180 3.960 -0.003 0.000 0.686 738 G C -1.041 173.668 174.900 -0.317 0.000 1.295 738 G CA -0.568 44.350 45.100 -0.304 0.000 0.922 738 G HN 0.786 nan 8.290 nan 0.000 0.582 739 A N 1.646 124.177 122.820 -0.482 0.000 2.511 739 A HA 0.644 4.962 4.320 -0.003 0.000 0.242 739 A C -1.192 176.179 177.584 -0.356 0.000 1.069 739 A CA 0.059 51.606 52.037 -0.816 0.000 0.763 739 A CB -0.082 18.546 19.000 -0.619 0.000 1.001 739 A HN 0.783 nan 8.150 nan 0.000 0.498 740 P HA 0.178 nan 4.420 nan 0.000 0.277 740 P C -0.558 176.733 177.300 -0.014 0.000 1.240 740 P CA -0.210 62.835 63.100 -0.091 0.000 0.798 740 P CB 0.285 31.960 31.700 -0.042 0.000 0.979 741 N N -1.514 117.206 118.700 0.034 0.000 2.758 741 N HA -0.237 4.502 4.740 -0.003 0.000 0.248 741 N C -0.756 174.792 175.510 0.063 0.000 1.076 741 N CA 0.120 53.205 53.050 0.058 0.000 0.696 741 N CB -2.157 36.367 38.487 0.062 0.000 0.979 741 N HN 0.388 nan 8.380 nan 0.000 0.550 742 F N 1.035 120.917 119.950 -0.113 0.000 2.471 742 F HA 0.302 4.827 4.527 -0.002 0.000 0.365 742 F C 1.570 177.293 175.800 -0.128 0.000 1.095 742 F CA -0.221 57.672 58.000 -0.178 0.000 1.174 742 F CB 0.739 39.571 39.000 -0.280 0.000 1.105 742 F HN 0.052 nan 8.300 nan 0.000 0.535 743 S N 5.076 120.367 115.700 -0.682 0.000 2.351 743 S HA -0.262 4.206 4.470 -0.003 0.000 0.220 743 S C 1.647 176.039 174.600 -0.347 0.000 1.035 743 S CA 2.041 59.967 58.200 -0.457 0.000 1.031 743 S CB -0.669 62.299 63.200 -0.388 0.000 0.928 743 S HN 0.920 nan 8.310 nan 0.000 0.433 744 W N 2.253 123.111 121.300 -0.737 0.000 2.465 744 W HA 0.178 4.836 4.660 -0.003 0.000 0.268 744 W C 1.790 178.327 176.519 0.031 0.000 1.242 744 W CA 0.371 57.550 57.345 -0.276 0.000 1.248 744 W CB -1.144 28.201 29.460 -0.192 0.000 1.118 744 W HN 0.085 nan 8.180 nan 0.000 0.587 745 S N 1.066 116.938 115.700 0.287 0.000 2.368 745 S HA -0.045 4.423 4.470 -0.003 0.000 0.224 745 S C 2.244 177.018 174.600 0.290 0.000 1.029 745 S CA 1.754 60.210 58.200 0.427 0.000 0.988 745 S CB -0.835 62.585 63.200 0.367 0.000 0.838 745 S HN 0.438 nan 8.310 nan 0.000 0.462 746 A N 1.622 124.539 122.820 0.162 0.000 1.902 746 A HA 0.083 4.401 4.320 -0.003 0.000 0.217 746 A C 2.340 180.015 177.584 0.152 0.000 1.181 746 A CA 1.742 53.866 52.037 0.144 0.000 0.623 746 A CB -1.108 17.938 19.000 0.076 0.000 0.818 746 A HN 0.507 nan 8.150 nan 0.000 0.443 747 A N -1.055 121.818 122.820 0.089 0.000 1.883 747 A HA -0.221 4.097 4.320 -0.003 0.000 0.217 747 A C 2.063 179.577 177.584 -0.116 0.000 1.186 747 A CA 1.659 53.693 52.037 -0.005 0.000 0.624 747 A CB -0.938 17.985 19.000 -0.128 0.000 0.822 747 A HN 0.676 nan 8.150 nan 0.000 0.444 748 H N -0.829 118.245 119.070 0.007 0.000 2.502 748 H HA 0.113 4.667 4.556 -0.003 0.000 0.283 748 H C 1.993 177.290 175.328 -0.052 0.000 1.015 748 H CA 1.077 57.018 56.048 -0.179 0.000 1.298 748 H CB -0.059 29.617 29.762 -0.143 0.000 1.411 748 H HN 0.397 nan 8.280 nan 0.000 0.556 749 L N -0.233 121.116 121.223 0.211 0.000 2.109 749 L HA -0.193 4.145 4.340 -0.003 0.000 0.207 749 L C 2.489 179.497 176.870 0.229 0.000 1.086 749 L CA 0.900 55.903 54.840 0.270 0.000 0.760 749 L CB -0.434 41.841 42.059 0.360 0.000 0.910 749 L HN 0.187 nan 8.230 nan 0.000 0.437 750 Y N 0.410 120.774 120.300 0.107 0.000 2.200 750 Y HA -0.254 4.294 4.550 -0.003 0.000 0.290 750 Y C 2.522 178.489 175.900 0.112 0.000 1.137 750 Y CA 1.552 59.721 58.100 0.114 0.000 1.163 750 Y CB -0.141 38.364 38.460 0.075 0.000 0.988 750 Y HN 0.043 nan 8.280 nan 0.000 0.518 751 M N -0.573 118.969 119.600 -0.096 0.000 2.159 751 M HA -0.226 4.252 4.480 -0.003 0.000 0.263 751 M C 2.133 178.389 176.300 -0.073 0.000 1.063 751 M CA 1.642 56.819 55.300 -0.205 0.000 1.110 751 M CB -0.407 31.788 32.600 -0.676 0.000 1.374 751 M HN 0.316 nan 8.290 nan 0.000 0.411 752 L N -1.245 119.931 121.223 -0.079 0.000 2.083 752 L HA -0.236 4.102 4.340 -0.003 0.000 0.209 752 L C 2.592 179.181 176.870 -0.469 0.000 1.083 752 L CA 1.352 56.053 54.840 -0.233 0.000 0.752 752 L CB -0.803 40.872 42.059 -0.640 0.000 0.899 752 L HN 0.302 nan 8.230 nan 0.000 0.433 753 Y N 0.684 120.786 120.300 -0.330 0.000 2.181 753 Y HA -0.298 4.250 4.550 -0.003 0.000 0.288 753 Y C 2.340 178.129 175.900 -0.185 0.000 1.146 753 Y CA 2.146 60.215 58.100 -0.053 0.000 1.164 753 Y CB -0.469 37.986 38.460 -0.009 0.000 0.982 753 Y HN 0.216 nan 8.280 nan 0.000 0.515 754 N N -0.798 117.606 118.700 -0.493 0.000 2.171 754 N HA -0.172 4.566 4.740 -0.003 0.000 0.184 754 N C 0.950 176.212 175.510 -0.413 0.000 1.021 754 N CA 1.358 54.074 53.050 -0.556 0.000 0.854 754 N CB 0.017 38.215 38.487 -0.483 0.000 0.994 754 N HN 0.423 nan 8.380 nan 0.000 0.426 755 D N -1.033 119.155 120.400 -0.353 0.000 2.323 755 D HA 0.022 4.660 4.640 -0.003 0.000 0.218 755 D C 0.646 176.425 176.300 -0.867 0.000 0.973 755 D CA 0.766 54.408 54.000 -0.597 0.000 0.890 755 D CB 0.092 40.485 40.800 -0.679 0.000 1.011 755 D HN 0.313 nan 8.370 nan 0.000 0.499 756 F N -0.720 119.167 119.950 -0.105 0.000 2.834 756 F HA 0.227 4.752 4.527 -0.003 0.000 0.332 756 F C 0.325 176.155 175.800 0.050 0.000 1.056 756 F CA -0.581 57.383 58.000 -0.060 0.000 1.178 756 F CB 0.327 39.287 39.000 -0.066 0.000 1.037 756 F HN -0.284 nan 8.300 nan 0.000 0.580 757 F N 3.940 123.956 119.950 0.110 0.000 2.443 757 F HA 0.528 5.053 4.527 -0.003 0.000 0.353 757 F C 0.682 176.424 175.800 -0.098 0.000 1.101 757 F CA -1.109 56.889 58.000 -0.003 0.000 1.226 757 F CB 0.345 39.332 39.000 -0.022 0.000 1.140 757 F HN -0.017 nan 8.300 nan 0.000 0.557 758 R N 1.471 122.017 120.500 0.077 0.000 2.741 758 R HA 0.316 4.654 4.340 -0.003 0.000 0.276 758 R C -1.145 175.121 176.300 -0.057 0.000 1.028 758 R CA -1.130 54.964 56.100 -0.010 0.000 0.865 758 R CB 1.568 31.871 30.300 0.006 0.000 1.268 758 R HN 0.564 nan 8.270 nan 0.000 0.475 759 K N 0.000 120.374 120.400 -0.044 0.000 2.780 759 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 759 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 759 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543