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 3c4y_1_B DATA FIRST_RESID 30 DATA SEQUENCE SRDRKYLARL KLPPLSKCEA LRESLDLGFE GMCLEQPIGK RLFQQFLRTH DATA SEQUENCE EQHGPALQLW KDIEDYDTAD DALRPQKAQA LRAAYLXXQA QLFCSFLDAE DATA SEQUENCE TVARARXXXX XXLFQPLLRA VLAHLGQAPF QEFLDSLYFL RFLQWKWLEA DATA SEQUENCE QPMGEDWFLD FRVXXXXXXX XVFACQMKAT GKLYACKKLN KKRLKKRKGY DATA SEQUENCE QGAMVEKKIL AKVHSRFIVS LAYAFETKTD LCLVMTIMNG GDIRYHIYNV DATA SEQUENCE DEDNPGFQEP RAIFYTAQIV SGLEHLHQRN IIYRDLKPEN VLLDDDGNVR DATA SEQUENCE ISDLGLAVEL KAGQTKTKGY AGTPGFMAPE LLLGEEYDFS VDYFALGVTL DATA SEQUENCE YEMIAARGPF RARGEKVENK ELKQRVLEQA VTYPDKFSPA SKDFCEALLQ DATA SEQUENCE KDPEKRLGFR DGSCDGLRTH PLFRDISWRQ LEAGMLTPPF VPDXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAFEKAD TEFFQEFASG TCPIPWQEEM IETGVFGDLN DATA SEQUENCE VWR 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.593 174.600 -0.012 0.000 1.055 30 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 30 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 31 R N 0.073 120.568 120.500 -0.009 0.000 2.673 31 R HA 0.640 4.981 4.340 0.001 0.000 0.281 31 R C -1.757 174.541 176.300 -0.003 0.000 0.991 31 R CA -0.730 55.369 56.100 -0.002 0.000 0.896 31 R CB 1.863 32.167 30.300 0.008 0.000 1.201 31 R HN 0.752 nan 8.270 nan 0.000 0.457 32 D N 0.475 120.877 120.400 0.003 0.000 2.277 32 D HA 0.285 4.925 4.640 0.001 0.000 0.250 32 D C 0.500 176.818 176.300 0.029 0.000 1.032 32 D CA -0.404 53.604 54.000 0.014 0.000 0.947 32 D CB 1.326 42.136 40.800 0.017 0.000 1.159 32 D HN 0.477 nan 8.370 nan 0.000 0.460 33 R N 1.613 122.128 120.500 0.025 0.000 2.167 33 R HA 0.170 4.511 4.340 0.001 0.000 0.195 33 R C 1.838 178.138 176.300 -0.000 0.000 1.027 33 R CA -0.253 55.856 56.100 0.014 0.000 1.114 33 R CB -0.084 30.215 30.300 -0.003 0.000 1.075 33 R HN 0.284 nan 8.270 nan 0.000 0.538 34 K N 0.738 121.122 120.400 -0.027 0.000 2.097 34 K HA -0.130 4.191 4.320 0.001 0.000 0.206 34 K C 1.304 177.779 176.600 -0.209 0.000 1.049 34 K CA 1.505 57.718 56.287 -0.123 0.000 0.933 34 K CB -0.038 32.358 32.500 -0.174 0.000 0.717 34 K HN 0.154 nan 8.250 nan 0.000 0.442 35 Y N -0.235 119.972 120.300 -0.155 0.000 2.475 35 Y HA -0.045 4.506 4.550 0.001 0.000 0.289 35 Y C 1.689 177.572 175.900 -0.029 0.000 1.121 35 Y CA 0.263 58.233 58.100 -0.216 0.000 1.257 35 Y CB 0.263 38.552 38.460 -0.286 0.000 1.026 35 Y HN 0.064 nan 8.280 nan 0.000 0.555 36 L N -0.682 120.619 121.223 0.130 0.000 2.492 36 L HA 0.089 4.430 4.340 0.001 0.000 0.223 36 L C 2.157 179.081 176.870 0.091 0.000 1.132 36 L CA 1.035 55.950 54.840 0.125 0.000 0.850 36 L CB -0.648 41.464 42.059 0.087 0.000 0.966 36 L HN 0.125 nan 8.230 nan 0.000 0.454 37 A N -1.013 121.831 122.820 0.039 0.000 2.016 37 A HA -0.055 4.266 4.320 0.001 0.000 0.217 37 A C 2.122 179.729 177.584 0.038 0.000 1.162 37 A CA 0.518 52.565 52.037 0.016 0.000 0.662 37 A CB -0.331 18.650 19.000 -0.031 0.000 0.812 37 A HN 0.350 nan 8.150 nan 0.000 0.450 38 R N -0.353 120.184 120.500 0.062 0.000 2.340 38 R HA 0.161 4.502 4.340 0.001 0.000 0.215 38 R C -0.843 175.589 176.300 0.219 0.000 1.017 38 R CA 0.268 56.450 56.100 0.137 0.000 1.111 38 R CB -0.386 30.022 30.300 0.181 0.000 1.049 38 R HN 0.412 nan 8.270 nan 0.000 0.490 39 L N 0.933 122.262 121.223 0.176 0.000 2.454 39 L HA 0.397 4.738 4.340 0.001 0.000 0.258 39 L C -0.517 176.418 176.870 0.109 0.000 1.025 39 L CA -0.474 54.471 54.840 0.174 0.000 0.901 39 L CB 1.193 43.370 42.059 0.198 0.000 1.210 39 L HN -0.155 nan 8.230 nan 0.000 0.457 40 K N 2.434 122.901 120.400 0.110 0.000 2.295 40 K HA 0.697 5.018 4.320 0.001 0.000 0.239 40 K C -0.822 175.775 176.600 -0.005 0.000 0.991 40 K CA -0.982 55.326 56.287 0.035 0.000 0.845 40 K CB 2.875 35.391 32.500 0.026 0.000 1.197 40 K HN 0.318 nan 8.250 nan 0.000 0.441 41 L N 3.722 124.883 121.223 -0.104 0.000 2.313 41 L HA 0.291 4.632 4.340 0.001 0.000 0.282 41 L C -1.684 175.056 176.870 -0.216 0.000 1.092 41 L CA -1.605 53.120 54.840 -0.193 0.000 0.831 41 L CB 0.128 42.057 42.059 -0.215 0.000 1.159 41 L HN 0.439 nan 8.230 nan 0.000 0.442 42 P HA 0.516 nan 4.420 nan 0.000 0.284 42 P C -2.656 174.416 177.300 -0.380 0.000 1.292 42 P CA -1.429 61.371 63.100 -0.500 0.000 0.800 42 P CB 0.225 31.271 31.700 -1.090 0.000 1.188 43 P HA 0.310 nan 4.420 nan 0.000 0.318 43 P C 0.478 177.614 177.300 -0.275 0.000 1.309 43 P CA -0.215 62.727 63.100 -0.263 0.000 0.736 43 P CB 0.459 32.032 31.700 -0.212 0.000 1.440 44 L N -1.467 119.640 121.223 -0.193 0.000 2.781 44 L HA 0.153 4.494 4.340 0.001 0.000 0.245 44 L C 1.676 178.472 176.870 -0.124 0.000 1.118 44 L CA 0.402 55.148 54.840 -0.157 0.000 0.918 44 L CB -0.149 41.845 42.059 -0.108 0.000 1.246 44 L HN 0.151 nan 8.230 nan 0.000 0.526 45 S N 0.139 115.768 115.700 -0.118 0.000 2.561 45 S HA -0.008 4.463 4.470 0.001 0.000 0.225 45 S C 1.709 176.261 174.600 -0.081 0.000 0.977 45 S CA 0.779 58.930 58.200 -0.082 0.000 0.926 45 S CB 0.032 63.192 63.200 -0.067 0.000 0.769 45 S HN 0.349 nan 8.310 nan 0.000 0.533 46 K N 0.219 120.539 120.400 -0.133 0.000 2.242 46 K HA 0.156 4.477 4.320 0.001 0.000 0.200 46 K C 0.488 177.054 176.600 -0.056 0.000 1.050 46 K CA 0.389 56.611 56.287 -0.109 0.000 0.981 46 K CB 0.084 32.439 32.500 -0.243 0.000 0.795 46 K HN 0.191 nan 8.250 nan 0.000 0.477 47 C N 2.566 121.807 119.300 -0.098 0.000 3.305 47 C HA 0.161 4.622 4.460 0.001 0.000 0.566 47 C C 1.014 176.005 174.990 0.002 0.000 1.178 47 C CA 0.025 59.024 59.018 -0.031 0.000 1.317 47 C CB -1.868 25.825 27.740 -0.078 0.000 1.634 47 C HN 0.416 nan 8.230 nan 0.000 0.643 48 E N 0.197 120.408 120.200 0.018 0.000 2.441 48 E HA 0.081 4.432 4.350 0.001 0.000 0.212 48 E C 2.090 178.713 176.600 0.038 0.000 0.840 48 E CA 0.232 56.648 56.400 0.027 0.000 1.143 48 E CB 0.159 29.866 29.700 0.012 0.000 1.153 48 E HN 0.592 nan 8.360 nan 0.000 0.539 49 A N 0.893 123.739 122.820 0.044 0.000 2.066 49 A HA -0.073 4.248 4.320 0.001 0.000 0.218 49 A C 1.889 179.503 177.584 0.050 0.000 1.157 49 A CA 0.824 52.888 52.037 0.044 0.000 0.670 49 A CB -0.152 18.876 19.000 0.047 0.000 0.804 49 A HN 0.048 nan 8.150 nan 0.000 0.453 50 L N -0.811 120.451 121.223 0.065 0.000 2.131 50 L HA 0.064 4.405 4.340 0.001 0.000 0.206 50 L C 2.379 179.298 176.870 0.081 0.000 1.087 50 L CA 1.637 56.520 54.840 0.072 0.000 0.767 50 L CB -0.779 41.334 42.059 0.089 0.000 0.917 50 L HN 0.392 nan 8.230 nan 0.000 0.441 51 R N -0.014 120.537 120.500 0.085 0.000 2.103 51 R HA -0.220 4.121 4.340 0.001 0.000 0.242 51 R C 2.049 178.389 176.300 0.067 0.000 1.142 51 R CA 1.821 57.978 56.100 0.095 0.000 0.960 51 R CB 0.086 30.436 30.300 0.084 0.000 0.858 51 R HN 0.366 nan 8.270 nan 0.000 0.439 52 E N -0.891 119.338 120.200 0.049 0.000 2.102 52 E HA -0.057 4.294 4.350 0.001 0.000 0.190 52 E C 1.901 178.520 176.600 0.032 0.000 0.971 52 E CA 1.256 57.677 56.400 0.035 0.000 0.821 52 E CB 0.154 29.869 29.700 0.026 0.000 0.777 52 E HN 0.353 nan 8.360 nan 0.000 0.460 53 S N 0.115 115.834 115.700 0.033 0.000 2.481 53 S HA 0.020 4.491 4.470 0.001 0.000 0.231 53 S C 0.811 175.428 174.600 0.028 0.000 0.996 53 S CA 0.162 58.377 58.200 0.025 0.000 0.942 53 S CB -0.108 63.104 63.200 0.019 0.000 0.768 53 S HN 0.022 nan 8.310 nan 0.000 0.520 54 L N 2.359 123.607 121.223 0.043 0.000 2.343 54 L HA 0.426 4.767 4.340 0.001 0.000 0.275 54 L C -0.541 176.361 176.870 0.053 0.000 1.056 54 L CA -0.491 54.379 54.840 0.051 0.000 0.804 54 L CB 1.307 43.411 42.059 0.076 0.000 1.203 54 L HN 0.304 nan 8.230 nan 0.000 0.440 55 D N 2.511 122.940 120.400 0.048 0.000 2.940 55 D HA 0.125 4.766 4.640 0.001 0.000 0.366 55 D C -0.306 176.022 176.300 0.046 0.000 1.446 55 D CA -0.307 53.718 54.000 0.042 0.000 0.780 55 D CB -0.225 40.591 40.800 0.026 0.000 1.206 55 D HN 0.196 nan 8.370 nan 0.000 0.454 56 L N 1.526 122.789 121.223 0.067 0.000 2.678 56 L HA 0.304 4.645 4.340 0.001 0.000 0.276 56 L C 1.260 178.165 176.870 0.060 0.000 1.142 56 L CA -0.106 54.771 54.840 0.061 0.000 0.961 56 L CB 0.274 42.389 42.059 0.093 0.000 1.291 56 L HN 0.252 nan 8.230 nan 0.000 0.476 57 G N 1.962 110.780 108.800 0.029 0.000 2.491 57 G HA2 -0.042 3.919 3.960 0.001 0.000 0.242 57 G HA3 -0.042 3.919 3.960 0.001 0.000 0.242 57 G C 0.605 175.499 174.900 -0.010 0.000 1.266 57 G CA -0.445 44.670 45.100 0.025 0.000 0.844 57 G HN 0.636 nan 8.290 nan 0.000 0.571 58 F N 0.866 120.662 119.950 -0.257 0.000 2.068 58 F HA -0.339 4.189 4.527 0.001 0.000 0.289 58 F C 2.363 177.958 175.800 -0.342 0.000 1.089 58 F CA 2.824 60.520 58.000 -0.507 0.000 1.263 58 F CB -0.331 38.278 39.000 -0.651 0.000 0.955 58 F HN 0.701 nan 8.300 nan 0.000 0.501 59 E N -0.695 119.305 120.200 -0.334 0.000 2.085 59 E HA -0.171 4.180 4.350 0.001 0.000 0.194 59 E C 2.329 178.749 176.600 -0.299 0.000 0.994 59 E CA 1.165 57.337 56.400 -0.381 0.000 0.801 59 E CB -0.831 28.765 29.700 -0.172 0.000 0.743 59 E HN 0.543 nan 8.360 nan 0.000 0.453 60 G N 0.326 109.017 108.800 -0.181 0.000 2.679 60 G HA2 -0.120 3.841 3.960 0.001 0.000 0.212 60 G HA3 -0.120 3.841 3.960 0.001 0.000 0.212 60 G C 1.087 175.927 174.900 -0.100 0.000 1.137 60 G CA 0.342 45.376 45.100 -0.110 0.000 0.787 60 G HN 0.199 nan 8.290 nan 0.000 0.534 61 M N -0.934 118.563 119.600 -0.172 0.000 2.547 61 M HA 0.149 4.630 4.480 0.001 0.000 0.151 61 M C 2.097 178.257 176.300 -0.234 0.000 1.481 61 M CA 0.274 55.495 55.300 -0.131 0.000 1.387 61 M CB -0.187 32.365 32.600 -0.081 0.000 0.782 61 M HN 0.065 nan 8.290 nan 0.000 0.480 62 C N 1.584 120.665 119.300 -0.364 0.000 2.440 62 C HA -0.015 4.446 4.460 0.001 0.000 0.278 62 C C 2.712 177.506 174.990 -0.327 0.000 1.295 62 C CA 0.645 59.451 59.018 -0.353 0.000 1.738 62 C CB -1.229 26.295 27.740 -0.361 0.000 1.987 62 C HN 0.599 nan 8.230 nan 0.000 0.492 63 L N 0.181 121.128 121.223 -0.460 0.000 2.201 63 L HA -0.123 4.218 4.340 0.001 0.000 0.212 63 L C 2.341 179.094 176.870 -0.195 0.000 1.105 63 L CA 1.589 56.204 54.840 -0.375 0.000 0.775 63 L CB -0.651 41.114 42.059 -0.490 0.000 0.913 63 L HN 0.513 nan 8.230 nan 0.000 0.440 64 E N -0.740 119.354 120.200 -0.177 0.000 2.290 64 E HA 0.038 4.389 4.350 0.001 0.000 0.199 64 E C 0.413 176.975 176.600 -0.063 0.000 0.912 64 E CA -0.087 56.257 56.400 -0.093 0.000 0.924 64 E CB 0.394 30.043 29.700 -0.085 0.000 0.901 64 E HN 0.446 nan 8.360 nan 0.000 0.487 65 Q N 1.979 121.745 119.800 -0.056 0.000 2.361 65 Q HA 0.092 4.432 4.340 0.001 0.000 0.250 65 Q C -2.044 173.954 176.000 -0.005 0.000 1.023 65 Q CA -1.668 54.145 55.803 0.017 0.000 0.915 65 Q CB 1.213 30.034 28.738 0.138 0.000 1.238 65 Q HN 0.010 nan 8.270 nan 0.000 0.451 66 P HA -0.159 nan 4.420 nan 0.000 0.218 66 P C 0.666 177.898 177.300 -0.113 0.000 1.149 66 P CA 1.155 64.217 63.100 -0.064 0.000 0.817 66 P CB 0.246 31.894 31.700 -0.086 0.000 0.785 67 I N -1.092 119.446 120.570 -0.053 0.000 2.493 67 I HA -0.112 4.058 4.170 0.001 0.000 0.254 67 I C 2.381 178.553 176.117 0.092 0.000 1.160 67 I CA 1.419 62.683 61.300 -0.061 0.000 1.445 67 I CB -1.002 37.034 38.000 0.060 0.000 1.086 67 I HN 0.016 nan 8.210 nan 0.000 0.433 68 G N 0.896 109.665 108.800 -0.051 0.000 2.424 68 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 68 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 68 G C 1.599 176.361 174.900 -0.231 0.000 1.202 68 G CA 0.660 45.447 45.100 -0.522 0.000 0.793 68 G HN 0.236 nan 8.290 nan 0.000 0.534 69 K N 0.067 120.374 120.400 -0.154 0.000 2.044 69 K HA -0.319 4.002 4.320 0.001 0.000 0.224 69 K C 2.537 179.124 176.600 -0.021 0.000 1.056 69 K CA 2.252 58.491 56.287 -0.080 0.000 0.962 69 K CB -0.205 32.284 32.500 -0.019 0.000 0.730 69 K HN 0.204 nan 8.250 nan 0.000 0.453 70 R N 0.407 120.888 120.500 -0.032 0.000 2.066 70 R HA 0.004 4.345 4.340 0.001 0.000 0.232 70 R C 2.399 178.766 176.300 0.112 0.000 1.131 70 R CA 1.368 57.472 56.100 0.007 0.000 0.955 70 R CB -0.308 29.905 30.300 -0.145 0.000 0.851 70 R HN 0.286 nan 8.270 nan 0.000 0.432 71 L N -0.512 120.811 121.223 0.167 0.000 2.042 71 L HA -0.186 4.155 4.340 0.001 0.000 0.210 71 L C 2.172 179.295 176.870 0.421 0.000 1.076 71 L CA 1.128 56.219 54.840 0.420 0.000 0.749 71 L CB -0.450 41.949 42.059 0.567 0.000 0.893 71 L HN 0.241 nan 8.230 nan 0.000 0.432 72 F N 0.620 120.484 119.950 -0.142 0.000 2.206 72 F HA -0.145 4.383 4.527 0.002 0.000 0.298 72 F C 2.549 178.254 175.800 -0.158 0.000 1.090 72 F CA 1.169 58.876 58.000 -0.489 0.000 1.323 72 F CB -0.489 37.945 39.000 -0.943 0.000 1.028 72 F HN 0.057 nan 8.300 nan 0.000 0.492 73 Q N 0.000 119.724 119.800 -0.128 0.000 2.029 73 Q HA -0.313 4.028 4.340 0.001 0.000 0.209 73 Q C 2.231 178.188 176.000 -0.072 0.000 0.999 73 Q CA 2.448 58.196 55.803 -0.091 0.000 0.857 73 Q CB -0.447 28.335 28.738 0.073 0.000 0.926 73 Q HN 0.539 nan 8.270 nan 0.000 0.415 74 Q N -0.715 119.092 119.800 0.013 0.000 2.234 74 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 74 Q C 1.801 177.555 176.000 -0.409 0.000 0.980 74 Q CA 1.025 56.813 55.803 -0.024 0.000 0.869 74 Q CB -0.133 28.740 28.738 0.226 0.000 0.912 74 Q HN 0.345 nan 8.270 nan 0.000 0.436 75 F N 0.669 120.252 119.950 -0.613 0.000 2.206 75 F HA -0.094 4.434 4.527 0.002 0.000 0.298 75 F C 1.545 177.186 175.800 -0.266 0.000 1.090 75 F CA 0.985 58.576 58.000 -0.683 0.000 1.323 75 F CB 0.100 39.070 39.000 -0.051 0.000 1.028 75 F HN -0.057 nan 8.300 nan 0.000 0.492 76 L N -0.247 120.820 121.223 -0.259 0.000 2.552 76 L HA 0.012 4.353 4.340 0.001 0.000 0.227 76 L C 2.399 179.192 176.870 -0.129 0.000 1.146 76 L CA 0.456 55.164 54.840 -0.219 0.000 0.858 76 L CB -0.558 41.359 42.059 -0.238 0.000 0.969 76 L HN 0.110 nan 8.230 nan 0.000 0.451 77 R N 0.222 120.647 120.500 -0.125 0.000 2.080 77 R HA -0.094 4.247 4.340 0.001 0.000 0.222 77 R C 2.477 178.747 176.300 -0.050 0.000 1.107 77 R CA 1.754 57.822 56.100 -0.053 0.000 0.980 77 R CB 0.021 30.312 30.300 -0.015 0.000 0.879 77 R HN 0.395 nan 8.270 nan 0.000 0.439 78 T N -2.306 112.209 114.554 -0.066 0.000 2.978 78 T HA -0.019 4.332 4.350 0.001 0.000 0.262 78 T C 0.371 174.963 174.700 -0.179 0.000 1.063 78 T CA 0.435 62.492 62.100 -0.072 0.000 1.140 78 T CB -0.289 68.582 68.868 0.004 0.000 0.886 78 T HN 0.164 nan 8.240 nan 0.000 0.470 79 H N 2.032 120.926 119.070 -0.293 0.000 3.015 79 H HA 0.395 4.952 4.556 0.001 0.000 0.268 79 H C 0.871 176.087 175.328 -0.187 0.000 1.113 79 H CA -0.257 55.617 56.048 -0.289 0.000 1.479 79 H CB 0.822 30.264 29.762 -0.533 0.000 1.493 79 H HN 0.373 nan 8.280 nan 0.000 0.486 80 E N 1.945 122.097 120.200 -0.080 0.000 2.274 80 E HA -0.165 4.185 4.350 0.001 0.000 0.194 80 E C 1.788 178.346 176.600 -0.071 0.000 0.996 80 E CA 0.490 56.854 56.400 -0.061 0.000 0.840 80 E CB 0.181 29.847 29.700 -0.057 0.000 0.772 80 E HN 0.701 nan 8.360 nan 0.000 0.491 81 Q N 0.164 119.874 119.800 -0.150 0.000 2.369 81 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 81 Q C 0.273 176.059 176.000 -0.356 0.000 0.963 81 Q CA 1.110 56.750 55.803 -0.273 0.000 0.894 81 Q CB 0.058 28.558 28.738 -0.396 0.000 0.965 81 Q HN 0.454 nan 8.270 nan 0.000 0.475 82 H N 0.006 119.104 119.070 0.046 0.000 2.528 82 H HA 0.335 4.892 4.556 0.001 0.000 0.256 82 H C 1.118 176.464 175.328 0.030 0.000 1.204 82 H CA 0.243 56.316 56.048 0.042 0.000 0.955 82 H CB 0.603 30.347 29.762 -0.030 0.000 1.817 82 H HN 0.346 nan 8.280 nan 0.000 0.579 83 G N 1.972 110.839 108.800 0.111 0.000 2.424 83 G HA2 -0.131 3.830 3.960 0.001 0.000 0.214 83 G HA3 -0.131 3.830 3.960 0.001 0.000 0.214 83 G C -0.619 174.364 174.900 0.139 0.000 1.202 83 G CA 0.193 45.350 45.100 0.096 0.000 0.793 83 G HN 0.268 nan 8.290 nan 0.000 0.534 84 P HA -0.109 nan 4.420 nan 0.000 0.217 84 P C 2.064 179.464 177.300 0.165 0.000 1.151 84 P CA 2.131 65.354 63.100 0.205 0.000 0.849 84 P CB -0.107 31.702 31.700 0.181 0.000 0.787 85 A N -1.405 121.560 122.820 0.241 0.000 1.968 85 A HA -0.108 4.213 4.320 0.001 0.000 0.217 85 A C 2.053 179.726 177.584 0.148 0.000 1.169 85 A CA 1.028 53.214 52.037 0.247 0.000 0.638 85 A CB -1.412 17.790 19.000 0.336 0.000 0.812 85 A HN 0.135 nan 8.150 nan 0.000 0.446 86 L N -0.562 120.742 121.223 0.135 0.000 1.973 86 L HA -0.121 4.220 4.340 0.001 0.000 0.208 86 L C 2.315 179.290 176.870 0.175 0.000 1.073 86 L CA 2.159 57.101 54.840 0.170 0.000 0.746 86 L CB -0.934 41.183 42.059 0.098 0.000 0.891 86 L HN 0.347 nan 8.230 nan 0.000 0.433 87 Q N -0.472 119.386 119.800 0.097 0.000 2.135 87 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 87 Q C 2.218 178.171 176.000 -0.079 0.000 0.981 87 Q CA 1.964 57.796 55.803 0.050 0.000 0.856 87 Q CB -0.651 28.169 28.738 0.138 0.000 0.902 87 Q HN 0.545 nan 8.270 nan 0.000 0.425 88 L N -0.039 121.053 121.223 -0.218 0.000 1.971 88 L HA -0.203 4.138 4.340 0.001 0.000 0.215 88 L C 2.067 178.822 176.870 -0.192 0.000 1.072 88 L CA 2.468 57.002 54.840 -0.509 0.000 0.758 88 L CB -1.258 40.564 42.059 -0.396 0.000 0.889 88 L HN 0.391 nan 8.230 nan 0.000 0.433 89 W N 0.817 122.017 121.300 -0.167 0.000 2.363 89 W HA -0.156 4.505 4.660 0.002 0.000 0.296 89 W C 2.433 178.912 176.519 -0.067 0.000 1.212 89 W CA 2.070 59.358 57.345 -0.095 0.000 1.260 89 W CB -0.251 29.170 29.460 -0.065 0.000 1.131 89 W HN 0.123 nan 8.180 nan 0.000 0.530 90 K N 0.031 120.158 120.400 -0.454 0.000 2.001 90 K HA -0.223 4.098 4.320 0.001 0.000 0.214 90 K C 1.610 177.980 176.600 -0.383 0.000 1.050 90 K CA 2.056 57.976 56.287 -0.611 0.000 0.934 90 K CB -0.577 31.742 32.500 -0.303 0.000 0.718 90 K HN 0.036 nan 8.250 nan 0.000 0.443 91 D N 0.541 120.815 120.400 -0.210 0.000 2.310 91 D HA -0.077 4.564 4.640 0.001 0.000 0.212 91 D C 1.762 178.013 176.300 -0.081 0.000 0.965 91 D CA 0.702 54.639 54.000 -0.104 0.000 0.879 91 D CB -0.019 40.770 40.800 -0.018 0.000 0.921 91 D HN 0.242 nan 8.370 nan 0.000 0.510 92 I N 0.694 121.186 120.570 -0.130 0.000 2.286 92 I HA -0.174 3.997 4.170 0.001 0.000 0.245 92 I C 2.282 178.387 176.117 -0.019 0.000 1.104 92 I CA 0.893 62.179 61.300 -0.023 0.000 1.397 92 I CB -0.073 37.939 38.000 0.020 0.000 1.072 92 I HN -0.058 nan 8.210 nan 0.000 0.417 93 E N 0.689 120.770 120.200 -0.199 0.000 2.204 93 E HA -0.221 4.130 4.350 0.001 0.000 0.194 93 E C 1.490 178.026 176.600 -0.107 0.000 0.989 93 E CA 1.112 57.404 56.400 -0.179 0.000 0.824 93 E CB 0.049 29.531 29.700 -0.363 0.000 0.756 93 E HN 0.456 nan 8.360 nan 0.000 0.477 94 D N -0.414 119.928 120.400 -0.097 0.000 2.149 94 D HA -0.149 4.492 4.640 0.001 0.000 0.201 94 D C 1.547 177.874 176.300 0.044 0.000 0.972 94 D CA 0.810 54.790 54.000 -0.033 0.000 0.835 94 D CB -0.261 40.523 40.800 -0.028 0.000 0.966 94 D HN 0.216 nan 8.370 nan 0.000 0.476 95 Y N 1.529 121.810 120.300 -0.031 0.000 2.337 95 Y HA -0.091 4.460 4.550 0.001 0.000 0.293 95 Y C 1.490 177.410 175.900 0.034 0.000 1.123 95 Y CA 1.059 59.169 58.100 0.017 0.000 1.201 95 Y CB 0.027 38.514 38.460 0.045 0.000 1.011 95 Y HN -0.202 nan 8.280 nan 0.000 0.545 96 D N -0.390 120.022 120.400 0.019 0.000 2.133 96 D HA -0.199 4.442 4.640 0.001 0.000 0.192 96 D C 2.034 178.270 176.300 -0.106 0.000 1.001 96 D CA 2.439 56.416 54.000 -0.039 0.000 0.844 96 D CB -0.588 40.230 40.800 0.029 0.000 0.944 96 D HN 0.541 nan 8.370 nan 0.000 0.447 97 T N -1.996 112.510 114.554 -0.080 0.000 3.081 97 T HA 0.451 4.802 4.350 0.001 0.000 0.250 97 T C 0.916 175.564 174.700 -0.087 0.000 1.100 97 T CA 0.129 62.190 62.100 -0.066 0.000 1.038 97 T CB 0.063 68.909 68.868 -0.037 0.000 0.962 97 T HN 0.157 nan 8.240 nan 0.000 0.516 98 A N 1.718 124.459 122.820 -0.131 0.000 2.536 98 A HA 0.306 4.627 4.320 0.001 0.000 0.234 98 A C 0.552 178.076 177.584 -0.099 0.000 1.076 98 A CA -0.241 51.734 52.037 -0.104 0.000 0.769 98 A CB -0.254 18.680 19.000 -0.109 0.000 1.020 98 A HN 0.395 nan 8.150 nan 0.000 0.508 99 D N -1.068 119.301 120.400 -0.052 0.000 2.314 99 D HA 0.262 4.903 4.640 0.001 0.000 0.252 99 D C 0.009 176.284 176.300 -0.042 0.000 1.295 99 D CA 0.298 54.274 54.000 -0.040 0.000 0.995 99 D CB 0.393 41.181 40.800 -0.019 0.000 1.125 99 D HN 0.467 nan 8.370 nan 0.000 0.537 100 D N -1.362 119.022 120.400 -0.027 0.000 2.479 100 D HA 0.341 4.982 4.640 0.001 0.000 0.218 100 D C 0.020 176.320 176.300 0.001 0.000 1.177 100 D CA -0.024 53.965 54.000 -0.019 0.000 0.830 100 D CB 0.739 41.524 40.800 -0.025 0.000 1.014 100 D HN 0.232 nan 8.370 nan 0.000 0.503 101 A N -0.214 122.610 122.820 0.006 0.000 2.508 101 A HA 0.315 4.636 4.320 0.001 0.000 0.250 101 A C 1.060 178.662 177.584 0.030 0.000 1.208 101 A CA -0.084 51.963 52.037 0.017 0.000 0.960 101 A CB 0.157 19.162 19.000 0.009 0.000 1.099 101 A HN 0.185 nan 8.150 nan 0.000 0.542 102 L N -1.474 119.771 121.223 0.037 0.000 2.858 102 L HA 0.283 4.624 4.340 0.001 0.000 0.251 102 L C 2.085 179.022 176.870 0.113 0.000 1.149 102 L CA -0.050 54.825 54.840 0.059 0.000 0.955 102 L CB 0.112 42.197 42.059 0.044 0.000 1.289 102 L HN 0.262 nan 8.230 nan 0.000 0.542 103 R N 0.988 121.560 120.500 0.121 0.000 2.075 103 R HA -0.078 4.263 4.340 0.001 0.000 0.232 103 R C -0.459 176.040 176.300 0.332 0.000 1.126 103 R CA 1.295 57.557 56.100 0.270 0.000 0.963 103 R CB -0.989 29.391 30.300 0.134 0.000 0.858 103 R HN 0.222 nan 8.270 nan 0.000 0.435 104 P HA -0.208 nan 4.420 nan 0.000 0.216 104 P C 1.052 178.420 177.300 0.115 0.000 1.150 104 P CA 1.394 64.576 63.100 0.137 0.000 0.843 104 P CB 0.011 31.763 31.700 0.086 0.000 0.787 105 Q N -0.197 119.666 119.800 0.105 0.000 2.062 105 Q HA -0.111 4.230 4.340 0.001 0.000 0.196 105 Q C 2.004 178.053 176.000 0.082 0.000 0.967 105 Q CA 1.257 57.105 55.803 0.076 0.000 0.832 105 Q CB -0.178 28.595 28.738 0.059 0.000 0.899 105 Q HN 0.106 nan 8.270 nan 0.000 0.442 106 K N -0.065 120.417 120.400 0.136 0.000 2.211 106 K HA -0.093 4.228 4.320 0.001 0.000 0.203 106 K C 1.949 178.565 176.600 0.027 0.000 1.050 106 K CA 0.794 57.166 56.287 0.142 0.000 0.945 106 K CB -0.022 32.655 32.500 0.296 0.000 0.732 106 K HN 0.240 nan 8.250 nan 0.000 0.451 107 A N 1.311 124.143 122.820 0.020 0.000 1.855 107 A HA -0.218 4.103 4.320 0.001 0.000 0.215 107 A C 2.052 179.614 177.584 -0.036 0.000 1.191 107 A CA 1.300 53.284 52.037 -0.088 0.000 0.613 107 A CB -0.516 18.532 19.000 0.080 0.000 0.829 107 A HN 0.301 nan 8.150 nan 0.000 0.442 108 Q N -0.887 118.924 119.800 0.018 0.000 2.364 108 Q HA -0.031 4.310 4.340 0.001 0.000 0.207 108 Q C 1.996 177.987 176.000 -0.014 0.000 0.970 108 Q CA 0.954 56.763 55.803 0.010 0.000 0.888 108 Q CB -0.233 28.519 28.738 0.023 0.000 0.951 108 Q HN 0.670 nan 8.270 nan 0.000 0.469 109 A N 0.071 122.881 122.820 -0.017 0.000 1.874 109 A HA -0.060 4.260 4.320 0.001 0.000 0.214 109 A C 1.862 179.417 177.584 -0.047 0.000 1.189 109 A CA 0.570 52.591 52.037 -0.026 0.000 0.615 109 A CB -0.397 18.603 19.000 -0.000 0.000 0.830 109 A HN 0.401 nan 8.150 nan 0.000 0.443 110 L N -0.928 120.255 121.223 -0.067 0.000 2.156 110 L HA -0.083 4.258 4.340 0.001 0.000 0.208 110 L C 2.808 179.635 176.870 -0.071 0.000 1.095 110 L CA 0.811 55.616 54.840 -0.057 0.000 0.770 110 L CB -0.260 41.657 42.059 -0.236 0.000 0.914 110 L HN 0.338 nan 8.230 nan 0.000 0.439 111 R N -0.470 119.957 120.500 -0.123 0.000 2.115 111 R HA -0.065 4.276 4.340 0.001 0.000 0.230 111 R C 2.116 178.394 176.300 -0.038 0.000 1.111 111 R CA 1.173 57.230 56.100 -0.071 0.000 0.976 111 R CB -0.254 30.036 30.300 -0.016 0.000 0.870 111 R HN 0.295 nan 8.270 nan 0.000 0.445 112 A N 0.282 123.067 122.820 -0.058 0.000 2.169 112 A HA 0.153 4.474 4.320 0.001 0.000 0.212 112 A C 1.929 179.432 177.584 -0.135 0.000 1.153 112 A CA 1.069 53.063 52.037 -0.071 0.000 0.756 112 A CB 0.034 18.997 19.000 -0.061 0.000 0.813 112 A HN 0.336 nan 8.150 nan 0.000 0.471 113 A N -2.130 120.552 122.820 -0.231 0.000 2.063 113 A HA 0.397 4.718 4.320 0.001 0.000 0.211 113 A C 1.559 178.715 177.584 -0.713 0.000 1.177 113 A CA 0.874 52.584 52.037 -0.546 0.000 0.759 113 A CB -0.053 18.452 19.000 -0.825 0.000 0.857 113 A HN 0.519 nan 8.150 nan 0.000 0.468 114 Y N -1.642 118.647 120.300 -0.019 0.000 2.550 114 Y HA 0.417 4.968 4.550 0.002 0.000 0.275 114 Y C 0.889 176.832 175.900 0.073 0.000 1.148 114 Y CA -0.717 57.381 58.100 -0.003 0.000 1.200 114 Y CB 0.148 38.559 38.460 -0.081 0.000 1.299 114 Y HN 0.032 nan 8.280 nan 0.000 0.509 119 A N 1.065 123.823 122.820 -0.103 0.000 2.346 119 A HA 0.301 4.622 4.320 0.001 0.000 0.252 119 A C 1.074 178.676 177.584 0.030 0.000 1.089 119 A CA 0.129 52.169 52.037 0.006 0.000 0.797 119 A CB 0.527 19.585 19.000 0.098 0.000 1.047 119 A HN 0.558 nan 8.150 nan 0.000 0.494 120 Q N -0.313 119.474 119.800 -0.021 0.000 2.354 120 Q HA 0.139 4.480 4.340 0.001 0.000 0.203 120 Q C 0.181 176.188 176.000 0.011 0.000 0.933 120 Q CA 0.682 56.477 55.803 -0.014 0.000 0.901 120 Q CB 0.033 28.742 28.738 -0.047 0.000 1.007 120 Q HN 0.681 nan 8.270 nan 0.000 0.495 121 L N 0.648 121.866 121.223 -0.009 0.000 3.094 121 L HA 0.299 4.640 4.340 0.001 0.000 0.254 121 L C -0.281 176.684 176.870 0.158 0.000 1.298 121 L CA -0.630 54.249 54.840 0.066 0.000 1.050 121 L CB 0.021 42.107 42.059 0.045 0.000 1.420 121 L HN 0.039 nan 8.230 nan 0.000 0.548 122 F N 2.036 121.986 119.950 0.000 0.000 2.494 122 F HA 0.164 4.692 4.527 0.002 0.000 0.369 122 F C 0.974 176.751 175.800 -0.039 0.000 1.098 122 F CA -0.789 57.205 58.000 -0.010 0.000 1.154 122 F CB 0.090 39.067 39.000 -0.038 0.000 1.103 122 F HN 0.166 nan 8.300 nan 0.000 0.549 123 C N 3.207 122.217 119.300 -0.484 0.000 2.595 123 C HA 0.457 4.918 4.460 0.001 0.000 0.384 123 C C 0.521 175.106 174.990 -0.675 0.000 1.289 123 C CA -0.792 57.931 59.018 -0.493 0.000 2.372 123 C CB 0.568 27.899 27.740 -0.681 0.000 2.593 123 C HN 0.836 nan 8.230 nan 0.000 0.639 124 S N 0.497 115.951 115.700 -0.410 0.000 2.128 124 S HA 0.405 4.876 4.470 0.001 0.000 0.157 124 S C -0.102 174.430 174.600 -0.113 0.000 1.650 124 S CA -0.506 57.554 58.200 -0.232 0.000 1.269 124 S CB -0.265 62.940 63.200 0.008 0.000 1.227 124 S HN 0.799 nan 8.310 nan 0.000 0.405 125 F N -1.199 118.671 119.950 -0.133 0.000 2.675 125 F HA 0.551 5.079 4.527 0.002 0.000 0.315 125 F C 0.052 175.651 175.800 -0.334 0.000 0.888 125 F CA -0.593 57.287 58.000 -0.201 0.000 1.100 125 F CB -0.045 38.831 39.000 -0.206 0.000 0.908 125 F HN 0.107 nan 8.300 nan 0.000 0.657 126 L N 2.436 123.449 121.223 -0.350 0.000 2.421 126 L HA 0.248 4.589 4.340 0.001 0.000 0.263 126 L C 0.892 177.662 176.870 -0.168 0.000 1.122 126 L CA -0.653 54.057 54.840 -0.217 0.000 0.804 126 L CB 0.678 42.619 42.059 -0.197 0.000 1.150 126 L HN 0.220 nan 8.230 nan 0.000 0.457 127 D N 1.619 121.973 120.400 -0.078 0.000 1.971 127 D HA 0.050 4.691 4.640 0.001 0.000 0.300 127 D C 0.289 176.580 176.300 -0.015 0.000 1.091 127 D CA 0.432 54.414 54.000 -0.029 0.000 0.835 127 D CB 0.145 40.944 40.800 -0.001 0.000 1.002 127 D HN 0.450 nan 8.370 nan 0.000 0.343 128 A N -1.253 121.573 122.820 0.009 0.000 3.019 128 A HA 0.165 4.486 4.320 0.001 0.000 0.202 128 A C 0.743 178.344 177.584 0.028 0.000 0.924 128 A CA -0.361 51.695 52.037 0.031 0.000 1.156 128 A CB -0.304 18.734 19.000 0.063 0.000 1.265 128 A HN 0.359 nan 8.150 nan 0.000 0.526 129 E N -0.654 119.557 120.200 0.018 0.000 2.251 129 E HA -0.021 4.330 4.350 0.001 0.000 0.194 129 E C 1.064 177.680 176.600 0.026 0.000 0.964 129 E CA 1.181 57.594 56.400 0.022 0.000 0.868 129 E CB 0.490 30.201 29.700 0.019 0.000 0.828 129 E HN 0.472 nan 8.360 nan 0.000 0.481 130 T N 0.376 114.944 114.554 0.022 0.000 3.088 130 T HA 0.000 4.351 4.350 0.001 0.000 0.259 130 T C 1.774 176.502 174.700 0.045 0.000 1.122 130 T CA 0.276 62.396 62.100 0.033 0.000 1.095 130 T CB 0.316 69.201 68.868 0.027 0.000 0.930 130 T HN -0.025 nan 8.240 nan 0.000 0.508 131 V N 1.806 121.745 119.914 0.041 0.000 2.407 131 V HA -0.135 3.986 4.120 0.001 0.000 0.248 131 V C 2.890 179.026 176.094 0.070 0.000 1.055 131 V CA 1.687 64.024 62.300 0.062 0.000 1.049 131 V CB -1.096 30.772 31.823 0.075 0.000 0.662 131 V HN 0.535 nan 8.190 nan 0.000 0.455 132 A N 0.447 123.299 122.820 0.054 0.000 1.929 132 A HA -0.193 4.128 4.320 0.001 0.000 0.216 132 A C 2.300 179.912 177.584 0.047 0.000 1.176 132 A CA 1.762 53.827 52.037 0.047 0.000 0.628 132 A CB -0.471 18.549 19.000 0.034 0.000 0.816 132 A HN 0.462 nan 8.150 nan 0.000 0.444 133 R N 0.490 121.019 120.500 0.050 0.000 2.083 133 R HA -0.074 4.267 4.340 0.001 0.000 0.237 133 R C 1.933 178.262 176.300 0.048 0.000 1.137 133 R CA 2.158 58.285 56.100 0.045 0.000 0.951 133 R CB -0.768 29.561 30.300 0.048 0.000 0.851 133 R HN 0.365 nan 8.270 nan 0.000 0.434 134 A N 0.151 123.029 122.820 0.096 0.000 2.169 134 A HA 0.132 4.453 4.320 0.001 0.000 0.212 134 A C 0.896 178.521 177.584 0.069 0.000 1.153 134 A CA 0.097 52.207 52.037 0.122 0.000 0.756 134 A CB -0.293 18.948 19.000 0.401 0.000 0.813 134 A HN 0.271 nan 8.150 nan 0.000 0.471 143 F N 3.216 123.228 119.950 0.103 0.000 2.963 143 F HA 0.269 4.797 4.527 0.001 0.000 0.321 143 F C 1.435 177.280 175.800 0.076 0.000 1.234 143 F CA -0.411 57.624 58.000 0.057 0.000 1.296 143 F CB 0.468 39.470 39.000 0.003 0.000 0.981 143 F HN 0.497 nan 8.300 nan 0.000 0.507 144 Q N -0.037 119.872 119.800 0.181 0.000 2.096 144 Q HA 0.006 4.347 4.340 0.001 0.000 0.197 144 Q C -0.714 175.358 176.000 0.121 0.000 0.964 144 Q CA 0.964 56.854 55.803 0.145 0.000 0.838 144 Q CB -1.846 26.952 28.738 0.100 0.000 0.906 144 Q HN 0.311 nan 8.270 nan 0.000 0.444 145 P HA -0.070 nan 4.420 nan 0.000 0.223 145 P C 1.406 178.763 177.300 0.096 0.000 1.151 145 P CA 0.536 63.686 63.100 0.082 0.000 0.787 145 P CB 0.005 31.742 31.700 0.062 0.000 0.788 146 L N -0.899 120.404 121.223 0.134 0.000 2.046 146 L HA -0.142 4.198 4.340 0.001 0.000 0.208 146 L C 2.204 179.132 176.870 0.097 0.000 1.077 146 L CA 1.584 56.498 54.840 0.124 0.000 0.747 146 L CB -1.451 40.716 42.059 0.181 0.000 0.896 146 L HN -0.075 nan 8.230 nan 0.000 0.432 147 L N -0.599 120.697 121.223 0.121 0.000 2.027 147 L HA -0.174 4.167 4.340 0.001 0.000 0.206 147 L C 2.604 179.537 176.870 0.105 0.000 1.074 147 L CA 1.711 56.627 54.840 0.126 0.000 0.745 147 L CB -0.561 41.594 42.059 0.160 0.000 0.898 147 L HN 0.166 nan 8.230 nan 0.000 0.433 148 R N -0.836 119.718 120.500 0.091 0.000 2.237 148 R HA -0.049 4.292 4.340 0.001 0.000 0.219 148 R C 2.113 178.454 176.300 0.068 0.000 1.080 148 R CA 0.810 56.953 56.100 0.072 0.000 0.995 148 R CB -0.368 29.968 30.300 0.061 0.000 0.875 148 R HN 0.535 nan 8.270 nan 0.000 0.462 149 A N 0.297 123.159 122.820 0.071 0.000 1.898 149 A HA -0.101 4.220 4.320 0.001 0.000 0.216 149 A C 2.179 179.820 177.584 0.096 0.000 1.181 149 A CA 1.151 53.230 52.037 0.070 0.000 0.620 149 A CB -0.478 18.555 19.000 0.055 0.000 0.819 149 A HN 0.201 nan 8.150 nan 0.000 0.442 150 V N -0.058 119.918 119.914 0.104 0.000 2.379 150 V HA -0.138 3.983 4.120 0.001 0.000 0.245 150 V C 2.403 178.553 176.094 0.093 0.000 1.044 150 V CA 1.717 64.107 62.300 0.149 0.000 1.036 150 V CB -0.429 31.483 31.823 0.149 0.000 0.664 150 V HN 0.576 nan 8.190 nan 0.000 0.453 151 L N 0.227 121.487 121.223 0.062 0.000 1.971 151 L HA -0.186 4.155 4.340 0.001 0.000 0.215 151 L C 2.827 179.716 176.870 0.033 0.000 1.072 151 L CA 1.968 56.839 54.840 0.052 0.000 0.758 151 L CB -1.067 41.028 42.059 0.060 0.000 0.889 151 L HN 0.416 nan 8.230 nan 0.000 0.433 152 A N -0.365 122.476 122.820 0.034 0.000 1.881 152 A HA -0.376 3.945 4.320 0.001 0.000 0.219 152 A C 2.136 179.665 177.584 -0.092 0.000 1.215 152 A CA 2.575 54.604 52.037 -0.012 0.000 0.648 152 A CB -1.141 17.875 19.000 0.027 0.000 0.832 152 A HN 0.605 nan 8.150 nan 0.000 0.455 153 H N -0.540 118.467 119.070 -0.106 0.000 2.326 153 H HA 0.061 4.618 4.556 0.002 0.000 0.301 153 H C 1.804 176.963 175.328 -0.281 0.000 1.081 153 H CA 1.735 57.696 56.048 -0.145 0.000 1.334 153 H CB -0.269 29.471 29.762 -0.036 0.000 1.385 153 H HN 0.340 nan 8.280 nan 0.000 0.504 154 L N -0.342 120.757 121.223 -0.206 0.000 2.189 154 L HA -0.127 4.214 4.340 0.001 0.000 0.214 154 L C 2.330 178.904 176.870 -0.494 0.000 1.097 154 L CA 1.110 55.758 54.840 -0.320 0.000 0.764 154 L CB -0.396 41.557 42.059 -0.177 0.000 0.900 154 L HN 0.497 nan 8.230 nan 0.000 0.436 155 G N -1.754 106.511 108.800 -0.893 0.000 3.088 155 G HA2 0.020 3.981 3.960 0.001 0.000 0.212 155 G HA3 0.020 3.981 3.960 0.001 0.000 0.212 155 G C 1.158 175.420 174.900 -1.063 0.000 1.173 155 G CA -0.122 43.799 45.100 -1.965 0.000 0.779 155 G HN 0.383 nan 8.290 nan 0.000 0.540 156 Q N -0.431 118.996 119.800 -0.623 0.000 2.497 156 Q HA 0.331 4.672 4.340 0.001 0.000 0.180 156 Q C 2.705 178.523 176.000 -0.305 0.000 0.778 156 Q CA 0.365 55.925 55.803 -0.404 0.000 0.803 156 Q CB -0.113 28.404 28.738 -0.369 0.000 1.129 156 Q HN 0.201 nan 8.270 nan 0.000 0.597 157 A N 1.981 124.548 122.820 -0.423 0.000 1.854 157 A HA -0.048 4.273 4.320 0.001 0.000 0.214 157 A C -0.512 176.960 177.584 -0.186 0.000 1.192 157 A CA 1.304 53.182 52.037 -0.265 0.000 0.611 157 A CB -1.572 17.285 19.000 -0.238 0.000 0.832 157 A HN 0.257 nan 8.150 nan 0.000 0.442 158 P HA -0.061 nan 4.420 nan 0.000 0.222 158 P C 1.243 178.514 177.300 -0.049 0.000 1.153 158 P CA 0.489 63.487 63.100 -0.170 0.000 0.798 158 P CB -0.126 31.268 31.700 -0.510 0.000 0.796 159 F N 1.228 121.018 119.950 -0.266 0.000 2.365 159 F HA -0.140 4.388 4.527 0.001 0.000 0.300 159 F C 1.935 177.568 175.800 -0.278 0.000 1.090 159 F CA 1.221 59.041 58.000 -0.300 0.000 1.408 159 F CB -0.498 38.214 39.000 -0.480 0.000 1.060 159 F HN -0.177 nan 8.300 nan 0.000 0.534 160 Q N 0.707 120.316 119.800 -0.318 0.000 2.181 160 Q HA -0.225 4.116 4.340 0.001 0.000 0.205 160 Q C 1.973 177.735 176.000 -0.396 0.000 0.980 160 Q CA 2.027 57.615 55.803 -0.357 0.000 0.862 160 Q CB -0.488 28.143 28.738 -0.178 0.000 0.905 160 Q HN 0.607 nan 8.270 nan 0.000 0.429 161 E N -0.132 119.884 120.200 -0.306 0.000 2.033 161 E HA -0.106 4.245 4.350 0.001 0.000 0.189 161 E C 1.718 178.009 176.600 -0.516 0.000 0.979 161 E CA 0.429 56.688 56.400 -0.234 0.000 0.802 161 E CB -0.310 29.440 29.700 0.084 0.000 0.763 161 E HN 0.173 nan 8.360 nan 0.000 0.449 162 F N 2.467 121.735 119.950 -1.137 0.000 2.063 162 F HA -0.339 4.189 4.527 0.002 0.000 0.297 162 F C 1.866 177.256 175.800 -0.683 0.000 1.099 162 F CA 1.770 59.061 58.000 -1.182 0.000 1.220 162 F CB -0.432 37.888 39.000 -1.134 0.000 0.972 162 F HN -0.075 nan 8.300 nan 0.000 0.487 163 L N -0.586 120.134 121.223 -0.838 0.000 1.971 163 L HA -0.244 4.097 4.340 0.001 0.000 0.215 163 L C 0.870 177.256 176.870 -0.806 0.000 1.072 163 L CA 1.780 55.978 54.840 -1.070 0.000 0.758 163 L CB -1.108 40.430 42.059 -0.868 0.000 0.889 163 L HN 0.045 nan 8.230 nan 0.000 0.433 164 D N 1.030 121.162 120.400 -0.447 0.000 3.057 164 D HA 0.198 4.839 4.640 0.001 0.000 0.246 164 D C 0.207 176.463 176.300 -0.073 0.000 1.238 164 D CA 0.247 54.128 54.000 -0.198 0.000 0.949 164 D CB 0.289 41.007 40.800 -0.137 0.000 1.086 164 D HN 0.344 nan 8.370 nan 0.000 0.487 165 S N -1.681 113.990 115.700 -0.047 0.000 2.643 165 S HA 0.355 4.826 4.470 0.001 0.000 0.270 165 S C 0.888 175.566 174.600 0.131 0.000 1.166 165 S CA -0.798 57.467 58.200 0.107 0.000 0.815 165 S CB 0.972 64.305 63.200 0.223 0.000 1.139 165 S HN 0.019 nan 8.310 nan 0.000 0.472 166 L N -0.106 121.205 121.223 0.146 0.000 1.961 166 L HA -0.076 4.265 4.340 0.001 0.000 0.210 166 L C 2.329 179.193 176.870 -0.009 0.000 1.072 166 L CA 1.778 56.624 54.840 0.009 0.000 0.749 166 L CB -1.016 40.959 42.059 -0.141 0.000 0.889 166 L HN 0.790 nan 8.230 nan 0.000 0.432 167 Y N -0.191 120.174 120.300 0.109 0.000 2.132 167 Y HA -0.375 4.175 4.550 0.001 0.000 0.280 167 Y C 2.498 178.405 175.900 0.012 0.000 1.193 167 Y CA 2.177 60.390 58.100 0.188 0.000 1.157 167 Y CB -1.083 37.668 38.460 0.485 0.000 0.966 167 Y HN 0.206 nan 8.280 nan 0.000 0.511 168 F N 0.264 119.862 119.950 -0.587 0.000 2.126 168 F HA -0.205 4.322 4.527 0.001 0.000 0.299 168 F C 1.784 177.558 175.800 -0.043 0.000 1.096 168 F CA 1.439 59.034 58.000 -0.674 0.000 1.255 168 F CB -0.893 37.416 39.000 -1.151 0.000 0.997 168 F HN -0.032 nan 8.300 nan 0.000 0.479 169 L N 0.253 120.992 121.223 -0.807 0.000 2.012 169 L HA -0.203 4.138 4.340 0.001 0.000 0.210 169 L C 2.709 179.398 176.870 -0.302 0.000 1.073 169 L CA 1.690 56.049 54.840 -0.802 0.000 0.748 169 L CB -0.836 41.014 42.059 -0.348 0.000 0.891 169 L HN 0.118 nan 8.230 nan 0.000 0.431 170 R N 0.180 120.658 120.500 -0.036 0.000 2.117 170 R HA -0.243 4.098 4.340 0.001 0.000 0.243 170 R C 2.128 178.654 176.300 0.377 0.000 1.143 170 R CA 1.633 57.833 56.100 0.167 0.000 0.968 170 R CB -0.980 29.511 30.300 0.317 0.000 0.863 170 R HN 0.252 nan 8.270 nan 0.000 0.444 171 F N 0.553 120.650 119.950 0.245 0.000 2.095 171 F HA -0.144 4.384 4.527 0.001 0.000 0.298 171 F C 1.751 177.679 175.800 0.213 0.000 1.104 171 F CA 1.688 59.888 58.000 0.333 0.000 1.232 171 F CB -0.350 38.827 39.000 0.294 0.000 0.987 171 F HN 0.023 nan 8.300 nan 0.000 0.475 172 L N -0.385 120.854 121.223 0.028 0.000 2.081 172 L HA -0.296 4.045 4.340 0.001 0.000 0.212 172 L C 2.371 179.251 176.870 0.018 0.000 1.080 172 L CA 1.729 56.538 54.840 -0.052 0.000 0.754 172 L CB -0.875 41.062 42.059 -0.203 0.000 0.893 172 L HN 0.269 nan 8.230 nan 0.000 0.433 173 Q N -1.566 118.240 119.800 0.010 0.000 2.163 173 Q HA -0.147 4.194 4.340 0.001 0.000 0.198 173 Q C 2.117 178.192 176.000 0.125 0.000 0.954 173 Q CA 1.281 57.095 55.803 0.018 0.000 0.851 173 Q CB -0.140 28.514 28.738 -0.139 0.000 0.928 173 Q HN 0.496 nan 8.270 nan 0.000 0.459 174 W N 1.491 122.862 121.300 0.118 0.000 2.358 174 W HA -0.139 4.522 4.660 0.001 0.000 0.303 174 W C 2.208 178.772 176.519 0.074 0.000 1.208 174 W CA 0.530 57.979 57.345 0.174 0.000 1.274 174 W CB 0.139 29.698 29.460 0.166 0.000 1.138 174 W HN -0.034 nan 8.180 nan 0.000 0.515 175 K N -0.641 119.782 120.400 0.038 0.000 2.057 175 K HA -0.217 4.104 4.320 0.001 0.000 0.207 175 K C 1.592 178.158 176.600 -0.056 0.000 1.049 175 K CA 1.631 57.824 56.287 -0.156 0.000 0.931 175 K CB -1.412 30.946 32.500 -0.236 0.000 0.714 175 K HN 0.369 nan 8.250 nan 0.000 0.440 176 W N 1.543 122.778 121.300 -0.109 0.000 2.318 176 W HA -0.250 4.410 4.660 0.001 0.000 0.313 176 W C 1.753 178.220 176.519 -0.087 0.000 1.221 176 W CA 1.267 58.556 57.345 -0.094 0.000 1.266 176 W CB -0.423 28.990 29.460 -0.078 0.000 1.150 176 W HN 0.058 nan 8.180 nan 0.000 0.496 177 L N 1.323 122.516 121.223 -0.049 0.000 2.376 177 L HA -0.054 4.287 4.340 0.001 0.000 0.219 177 L C 2.323 179.033 176.870 -0.266 0.000 1.133 177 L CA 2.178 56.833 54.840 -0.309 0.000 0.816 177 L CB -1.033 41.130 42.059 0.173 0.000 0.933 177 L HN 0.245 nan 8.230 nan 0.000 0.449 178 E N -0.132 119.858 120.200 -0.351 0.000 2.072 178 E HA -0.094 4.257 4.350 0.001 0.000 0.191 178 E C 1.133 177.375 176.600 -0.596 0.000 0.985 178 E CA 0.703 56.617 56.400 -0.811 0.000 0.801 178 E CB -0.065 28.852 29.700 -1.305 0.000 0.750 178 E HN 0.482 nan 8.360 nan 0.000 0.452 179 A N 2.028 124.555 122.820 -0.488 0.000 3.051 179 A HA 0.073 4.394 4.320 0.001 0.000 0.257 179 A C -0.330 176.998 177.584 -0.427 0.000 1.785 179 A CA 0.122 51.920 52.037 -0.399 0.000 1.420 179 A CB -0.077 18.733 19.000 -0.317 0.000 1.063 179 A HN 0.123 nan 8.150 nan 0.000 0.630 180 Q N 0.520 120.086 119.800 -0.390 0.000 2.495 180 Q HA 0.469 4.810 4.340 0.001 0.000 0.287 180 Q C -2.985 172.851 176.000 -0.274 0.000 1.078 180 Q CA -1.853 53.733 55.803 -0.361 0.000 0.793 180 Q CB 2.176 30.657 28.738 -0.429 0.000 1.459 180 Q HN 0.279 nan 8.270 nan 0.000 0.422 181 P HA 0.381 nan 4.420 nan 0.000 0.283 181 P C -0.833 176.307 177.300 -0.267 0.000 1.412 181 P CA -0.179 62.823 63.100 -0.163 0.000 0.912 181 P CB 0.122 31.779 31.700 -0.071 0.000 1.132 182 M N 2.695 122.086 119.600 -0.348 0.000 2.495 182 M HA 0.374 4.855 4.480 0.001 0.000 0.346 182 M C 1.003 177.091 176.300 -0.352 0.000 1.251 182 M CA -0.143 54.750 55.300 -0.678 0.000 1.249 182 M CB 1.142 33.375 32.600 -0.612 0.000 1.229 182 M HN 0.328 nan 8.290 nan 0.000 0.450 183 G N 1.029 109.806 108.800 -0.039 0.000 2.510 183 G HA2 0.174 4.135 3.960 0.001 0.000 0.280 183 G HA3 0.174 4.135 3.960 0.001 0.000 0.280 183 G C 0.773 175.623 174.900 -0.084 0.000 1.386 183 G CA -0.361 44.736 45.100 -0.004 0.000 1.047 183 G HN 0.782 nan 8.290 nan 0.000 0.527 184 E N -0.301 119.872 120.200 -0.045 0.000 2.171 184 E HA -0.215 4.136 4.350 0.001 0.000 0.197 184 E C 1.198 177.817 176.600 0.031 0.000 0.997 184 E CA 1.557 57.953 56.400 -0.006 0.000 0.810 184 E CB -0.289 29.468 29.700 0.094 0.000 0.738 184 E HN 0.376 nan 8.360 nan 0.000 0.467 185 D N 0.709 121.146 120.400 0.061 0.000 2.190 185 D HA -0.167 4.473 4.640 0.001 0.000 0.200 185 D C 1.103 177.254 176.300 -0.249 0.000 0.992 185 D CA 1.123 55.100 54.000 -0.039 0.000 0.854 185 D CB -0.345 40.416 40.800 -0.064 0.000 0.936 185 D HN 0.473 nan 8.370 nan 0.000 0.462 186 W N -0.414 120.749 121.300 -0.228 0.000 3.180 186 W HA 0.208 4.869 4.660 0.001 0.000 0.254 186 W C 0.036 176.013 176.519 -0.903 0.000 1.318 186 W CA -0.233 56.780 57.345 -0.554 0.000 1.608 186 W CB -0.246 28.952 29.460 -0.437 0.000 1.124 186 W HN -0.220 nan 8.180 nan 0.000 0.694 187 F N -0.331 119.501 119.950 -0.197 0.000 2.626 187 F HA 0.484 5.011 4.527 0.001 0.000 0.311 187 F C -0.532 175.217 175.800 -0.085 0.000 1.088 187 F CA -1.531 56.394 58.000 -0.125 0.000 0.949 187 F CB 1.199 40.150 39.000 -0.081 0.000 1.322 187 F HN -0.496 nan 8.300 nan 0.000 0.461 188 L N 1.611 122.951 121.223 0.195 0.000 2.333 188 L HA 0.725 5.066 4.340 0.001 0.000 0.269 188 L C -1.399 175.632 176.870 0.267 0.000 1.010 188 L CA -0.197 54.744 54.840 0.169 0.000 0.818 188 L CB 1.786 43.928 42.059 0.138 0.000 1.306 188 L HN 0.487 nan 8.230 nan 0.000 0.430 189 D N 2.600 123.152 120.400 0.255 0.000 2.819 189 D HA 0.508 5.149 4.640 0.001 0.000 0.232 189 D C -0.460 176.103 176.300 0.439 0.000 1.160 189 D CA 0.270 54.407 54.000 0.227 0.000 0.858 189 D CB 2.041 42.705 40.800 -0.227 0.000 1.610 189 D HN 0.561 nan 8.370 nan 0.000 0.481 190 F N -0.469 119.653 119.950 0.287 0.000 2.381 190 F HA 0.285 4.812 4.527 0.001 0.000 0.400 190 F C -0.021 175.880 175.800 0.167 0.000 0.822 190 F CA -0.623 57.493 58.000 0.193 0.000 0.926 190 F CB 0.736 39.805 39.000 0.116 0.000 1.080 190 F HN 0.129 nan 8.300 nan 0.000 0.604 191 R N 1.914 122.045 120.500 -0.614 0.000 2.561 191 R HA 0.767 5.108 4.340 0.001 0.000 0.297 191 R C -1.356 174.673 176.300 -0.451 0.000 0.969 191 R CA -0.652 55.216 56.100 -0.386 0.000 0.879 191 R CB 2.434 32.555 30.300 -0.299 0.000 1.178 191 R HN 0.107 nan 8.270 nan 0.000 0.445 202 F N 1.573 121.491 119.950 -0.053 0.000 2.654 202 F HA 0.926 5.454 4.527 0.002 0.000 0.334 202 F C 0.487 176.236 175.800 -0.086 0.000 1.078 202 F CA -0.526 57.418 58.000 -0.092 0.000 0.986 202 F CB 1.943 40.896 39.000 -0.079 0.000 1.362 202 F HN 0.639 nan 8.300 nan 0.000 0.498 203 A N 0.527 123.376 122.820 0.048 0.000 2.317 203 A HA 0.736 5.057 4.320 0.001 0.000 0.327 203 A C -1.075 176.561 177.584 0.088 0.000 1.178 203 A CA -0.550 51.510 52.037 0.037 0.000 0.817 203 A CB 0.491 19.459 19.000 -0.052 0.000 1.189 203 A HN 1.029 nan 8.150 nan 0.000 0.489 204 C N 1.287 120.733 119.300 0.242 0.000 2.609 204 C HA 0.775 5.236 4.460 0.001 0.000 0.313 204 C C -0.645 174.619 174.990 0.457 0.000 1.175 204 C CA -0.687 58.549 59.018 0.363 0.000 1.434 204 C CB 0.653 28.587 27.740 0.324 0.000 2.005 204 C HN 0.983 nan 8.230 nan 0.000 0.471 205 Q N 3.196 123.254 119.800 0.429 0.000 2.257 205 Q HA 0.379 4.720 4.340 0.001 0.000 0.255 205 Q C -0.295 175.821 176.000 0.192 0.000 0.920 205 Q CA -0.588 55.389 55.803 0.290 0.000 0.927 205 Q CB 1.228 30.057 28.738 0.151 0.000 1.229 205 Q HN 0.902 nan 8.270 nan 0.000 0.433 206 M N 4.725 124.407 119.600 0.138 0.000 2.251 206 M HA 0.034 4.514 4.480 0.001 0.000 0.346 206 M C 0.138 176.274 176.300 -0.274 0.000 1.499 206 M CA 0.902 55.991 55.300 -0.351 0.000 1.128 206 M CB 0.332 32.920 32.600 -0.020 0.000 1.809 206 M HN 0.750 nan 8.290 nan 0.000 0.464 207 K N 3.800 123.935 120.400 -0.442 0.000 2.002 207 K HA -0.141 4.180 4.320 0.001 0.000 0.209 207 K C 1.744 178.254 176.600 -0.150 0.000 1.048 207 K CA 1.785 57.869 56.287 -0.337 0.000 0.930 207 K CB -0.173 31.917 32.500 -0.684 0.000 0.714 207 K HN 0.825 nan 8.250 nan 0.000 0.438 208 A N 1.347 124.129 122.820 -0.063 0.000 1.865 208 A HA -0.206 4.115 4.320 0.001 0.000 0.217 208 A C 2.397 180.010 177.584 0.048 0.000 1.191 208 A CA 2.567 54.648 52.037 0.074 0.000 0.623 208 A CB -1.241 17.882 19.000 0.205 0.000 0.826 208 A HN 0.541 nan 8.150 nan 0.000 0.444 209 T N -3.996 110.579 114.554 0.036 0.000 2.770 209 T HA 0.356 4.707 4.350 0.001 0.000 0.258 209 T C 1.465 176.176 174.700 0.018 0.000 1.039 209 T CA 1.461 63.584 62.100 0.038 0.000 1.143 209 T CB -0.658 68.239 68.868 0.048 0.000 0.866 209 T HN 1.891 nan 8.240 nan 0.000 0.428 210 G N 1.311 110.113 108.800 0.004 0.000 2.309 210 G HA2 -0.123 3.838 3.960 0.001 0.000 0.183 210 G HA3 -0.123 3.838 3.960 0.001 0.000 0.183 210 G C -0.309 174.598 174.900 0.011 0.000 1.063 210 G CA -0.025 45.075 45.100 -0.001 0.000 0.768 210 G HN 0.839 nan 8.290 nan 0.000 0.490 211 K N 0.215 120.634 120.400 0.032 0.000 2.156 211 K HA 0.797 5.118 4.320 0.001 0.000 0.254 211 K C 0.601 177.195 176.600 -0.011 0.000 0.950 211 K CA -1.036 55.243 56.287 -0.013 0.000 0.849 211 K CB 0.847 33.340 32.500 -0.012 0.000 1.100 211 K HN 0.187 nan 8.250 nan 0.000 0.434 212 L N 3.527 124.668 121.223 -0.136 0.000 2.360 212 L HA 0.487 4.828 4.340 0.001 0.000 0.271 212 L C -0.840 175.876 176.870 -0.256 0.000 1.057 212 L CA -0.895 53.917 54.840 -0.047 0.000 0.803 212 L CB 0.641 42.701 42.059 0.002 0.000 1.207 212 L HN 0.667 nan 8.230 nan 0.000 0.445 213 Y N -0.035 120.383 120.300 0.197 0.000 2.436 213 Y HA 0.420 4.970 4.550 0.002 0.000 0.327 213 Y C -0.190 175.780 175.900 0.117 0.000 1.138 213 Y CA -0.953 57.243 58.100 0.160 0.000 1.042 213 Y CB 2.032 40.612 38.460 0.199 0.000 1.302 213 Y HN 0.641 nan 8.280 nan 0.000 0.439 214 A N 2.141 125.121 122.820 0.267 0.000 2.395 214 A HA 0.416 4.737 4.320 0.001 0.000 0.286 214 A C -0.580 177.087 177.584 0.138 0.000 1.193 214 A CA -0.104 52.029 52.037 0.161 0.000 0.852 214 A CB -0.328 18.733 19.000 0.102 0.000 1.118 214 A HN 0.771 nan 8.150 nan 0.000 0.524 215 C N 4.238 123.611 119.300 0.122 0.000 2.264 215 C HA 0.467 4.928 4.460 0.001 0.000 0.322 215 C C 0.468 175.493 174.990 0.058 0.000 1.210 215 C CA -0.767 58.280 59.018 0.048 0.000 1.539 215 C CB -0.420 27.327 27.740 0.013 0.000 2.167 215 C HN 0.899 nan 8.230 nan 0.000 0.463 216 K N 5.068 125.481 120.400 0.022 0.000 2.349 216 K HA 0.290 4.611 4.320 0.001 0.000 0.288 216 K C -0.232 176.371 176.600 0.006 0.000 1.058 216 K CA 0.290 56.599 56.287 0.038 0.000 0.953 216 K CB 0.330 32.845 32.500 0.024 0.000 0.997 216 K HN 0.653 nan 8.250 nan 0.000 0.477 217 K N 5.163 125.595 120.400 0.053 0.000 2.259 217 K HA 0.460 4.781 4.320 0.001 0.000 0.252 217 K C -0.870 175.737 176.600 0.013 0.000 0.936 217 K CA -0.822 55.468 56.287 0.004 0.000 0.810 217 K CB 1.582 34.092 32.500 0.018 0.000 1.143 217 K HN 0.420 nan 8.250 nan 0.000 0.427 218 L N 1.445 122.642 121.223 -0.042 0.000 2.385 218 L HA 0.368 4.709 4.340 0.001 0.000 0.273 218 L C -0.029 176.814 176.870 -0.045 0.000 0.990 218 L CA -0.930 53.889 54.840 -0.035 0.000 0.821 218 L CB 1.747 43.768 42.059 -0.063 0.000 1.279 218 L HN 0.623 nan 8.230 nan 0.000 0.412 219 N N 2.893 121.589 118.700 -0.005 0.000 2.416 219 N HA 0.013 4.754 4.740 0.001 0.000 0.271 219 N C 0.696 176.215 175.510 0.014 0.000 1.245 219 N CA -0.062 52.991 53.050 0.005 0.000 0.940 219 N CB 0.822 39.326 38.487 0.028 0.000 1.175 219 N HN 0.688 nan 8.380 nan 0.000 0.483 220 K N 3.047 123.439 120.400 -0.012 0.000 2.044 220 K HA -0.213 4.108 4.320 0.001 0.000 0.210 220 K C 1.479 178.196 176.600 0.196 0.000 1.049 220 K CA 1.748 58.057 56.287 0.038 0.000 0.927 220 K CB 0.100 32.552 32.500 -0.080 0.000 0.713 220 K HN 0.488 nan 8.250 nan 0.000 0.443 221 K N 0.367 120.870 120.400 0.172 0.000 2.097 221 K HA -0.127 4.194 4.320 0.001 0.000 0.206 221 K C 2.115 178.768 176.600 0.088 0.000 1.049 221 K CA 1.040 57.401 56.287 0.124 0.000 0.933 221 K CB -0.065 32.470 32.500 0.059 0.000 0.717 221 K HN 0.072 nan 8.250 nan 0.000 0.442 222 R N 0.795 121.342 120.500 0.077 0.000 2.148 222 R HA -0.002 4.339 4.340 0.001 0.000 0.223 222 R C 2.125 178.479 176.300 0.089 0.000 1.088 222 R CA 0.683 56.821 56.100 0.063 0.000 0.985 222 R CB -0.076 30.253 30.300 0.048 0.000 0.880 222 R HN 0.215 nan 8.270 nan 0.000 0.451 223 L N 0.827 122.125 121.223 0.125 0.000 2.005 223 L HA -0.164 4.177 4.340 0.001 0.000 0.207 223 L C 2.407 179.431 176.870 0.257 0.000 1.072 223 L CA 1.567 56.510 54.840 0.172 0.000 0.744 223 L CB -0.273 41.882 42.059 0.159 0.000 0.895 223 L HN 0.134 nan 8.230 nan 0.000 0.433 224 K N -0.011 120.581 120.400 0.320 0.000 2.280 224 K HA -0.249 4.072 4.320 0.001 0.000 0.202 224 K C 1.990 178.631 176.600 0.067 0.000 1.047 224 K CA 1.074 57.509 56.287 0.247 0.000 0.942 224 K CB 0.115 32.779 32.500 0.273 0.000 0.739 224 K HN -0.031 nan 8.250 nan 0.000 0.457 225 K N 1.034 121.474 120.400 0.067 0.000 2.442 225 K HA -0.063 4.258 4.320 0.001 0.000 0.198 225 K C 0.803 177.411 176.600 0.014 0.000 1.042 225 K CA 1.150 57.450 56.287 0.022 0.000 0.958 225 K CB 0.208 32.722 32.500 0.023 0.000 0.766 225 K HN 0.148 nan 8.250 nan 0.000 0.474 226 R N -0.434 120.085 120.500 0.032 0.000 2.566 226 R HA 0.198 4.539 4.340 0.001 0.000 0.388 226 R C -0.533 175.773 176.300 0.011 0.000 0.989 226 R CA -0.185 55.928 56.100 0.022 0.000 1.164 226 R CB 0.500 30.824 30.300 0.041 0.000 1.459 226 R HN -0.001 nan 8.270 nan 0.000 0.553 227 K N 0.493 120.879 120.400 -0.023 0.000 3.078 227 K HA -0.188 4.133 4.320 0.001 0.000 0.261 227 K C 0.669 177.291 176.600 0.036 0.000 0.947 227 K CA 0.616 56.857 56.287 -0.077 0.000 0.702 227 K CB -1.317 31.119 32.500 -0.107 0.000 1.318 227 K HN 0.526 nan 8.250 nan 0.000 0.473 228 G N -0.695 108.184 108.800 0.132 0.000 3.262 228 G HA2 -0.016 3.945 3.960 0.001 0.000 0.228 228 G HA3 -0.016 3.945 3.960 0.001 0.000 0.228 228 G C 0.823 175.858 174.900 0.224 0.000 1.197 228 G CA -0.276 44.913 45.100 0.149 0.000 0.819 228 G HN 0.435 nan 8.290 nan 0.000 0.531 229 Y N 0.342 120.631 120.300 -0.019 0.000 2.097 229 Y HA -0.274 4.277 4.550 0.001 0.000 0.282 229 Y C 3.104 179.013 175.900 0.014 0.000 1.152 229 Y CA 1.497 59.567 58.100 -0.051 0.000 1.136 229 Y CB 0.156 38.476 38.460 -0.234 0.000 0.975 229 Y HN 0.243 nan 8.280 nan 0.000 0.498 230 Q N -0.587 119.321 119.800 0.179 0.000 2.167 230 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 230 Q C 2.415 178.486 176.000 0.119 0.000 0.970 230 Q CA 1.322 57.200 55.803 0.125 0.000 0.855 230 Q CB -0.500 28.285 28.738 0.078 0.000 0.911 230 Q HN 0.511 nan 8.270 nan 0.000 0.438 231 G N -0.186 108.682 108.800 0.114 0.000 2.484 231 G HA2 -0.042 3.919 3.960 0.001 0.000 0.218 231 G HA3 -0.042 3.919 3.960 0.001 0.000 0.218 231 G C 1.307 176.275 174.900 0.114 0.000 1.130 231 G CA 0.660 45.823 45.100 0.105 0.000 0.784 231 G HN 0.411 nan 8.290 nan 0.000 0.543 232 A N 0.244 123.143 122.820 0.132 0.000 1.887 232 A HA 0.296 4.617 4.320 0.001 0.000 0.212 232 A C 2.207 179.900 177.584 0.182 0.000 1.198 232 A CA 1.584 53.707 52.037 0.143 0.000 0.628 232 A CB -0.242 18.837 19.000 0.132 0.000 0.847 232 A HN 0.308 nan 8.150 nan 0.000 0.449 233 M N -0.110 119.627 119.600 0.228 0.000 2.086 233 M HA -0.079 4.402 4.480 0.001 0.000 0.261 233 M C 1.870 178.263 176.300 0.154 0.000 1.067 233 M CA 1.582 57.034 55.300 0.253 0.000 1.116 233 M CB -0.412 32.396 32.600 0.346 0.000 1.348 233 M HN 0.113 nan 8.290 nan 0.000 0.407 234 V N 0.873 120.867 119.914 0.133 0.000 2.324 234 V HA -0.331 3.790 4.120 0.001 0.000 0.250 234 V C 2.385 178.528 176.094 0.081 0.000 1.060 234 V CA 2.437 64.796 62.300 0.097 0.000 1.042 234 V CB -1.121 30.758 31.823 0.093 0.000 0.650 234 V HN 0.707 nan 8.190 nan 0.000 0.450 235 E N 0.253 120.508 120.200 0.091 0.000 2.106 235 E HA -0.268 4.082 4.350 0.001 0.000 0.192 235 E C 2.332 178.962 176.600 0.051 0.000 0.984 235 E CA 1.390 57.834 56.400 0.073 0.000 0.806 235 E CB -0.216 29.535 29.700 0.084 0.000 0.750 235 E HN 0.520 nan 8.360 nan 0.000 0.458 236 K N 1.346 121.784 120.400 0.064 0.000 2.031 236 K HA -0.142 4.179 4.320 0.001 0.000 0.205 236 K C 1.993 178.578 176.600 -0.026 0.000 1.049 236 K CA 1.306 57.597 56.287 0.007 0.000 0.939 236 K CB -0.103 32.400 32.500 0.004 0.000 0.717 236 K HN 0.035 nan 8.250 nan 0.000 0.438 237 K N 0.368 120.770 120.400 0.003 0.000 2.218 237 K HA -0.100 4.221 4.320 0.001 0.000 0.205 237 K C 1.850 178.445 176.600 -0.008 0.000 1.046 237 K CA 1.164 57.447 56.287 -0.007 0.000 0.933 237 K CB -0.002 32.513 32.500 0.025 0.000 0.728 237 K HN 0.224 nan 8.250 nan 0.000 0.454 238 I N 0.249 120.821 120.570 0.003 0.000 3.645 238 I HA -0.052 4.119 4.170 0.001 0.000 0.300 238 I C 1.859 177.972 176.117 -0.007 0.000 1.260 238 I CA 0.590 61.893 61.300 0.005 0.000 1.365 238 I CB -0.571 37.439 38.000 0.017 0.000 1.077 238 I HN 0.120 nan 8.210 nan 0.000 0.439 239 L N 1.193 122.403 121.223 -0.021 0.000 2.005 239 L HA -0.121 4.220 4.340 0.001 0.000 0.207 239 L C 2.716 179.562 176.870 -0.041 0.000 1.072 239 L CA 1.557 56.376 54.840 -0.035 0.000 0.744 239 L CB -0.436 41.596 42.059 -0.045 0.000 0.895 239 L HN 0.189 nan 8.230 nan 0.000 0.433 240 A N -0.595 122.188 122.820 -0.061 0.000 2.067 240 A HA -0.215 4.106 4.320 0.001 0.000 0.219 240 A C 2.255 179.814 177.584 -0.041 0.000 1.158 240 A CA 1.445 53.439 52.037 -0.072 0.000 0.661 240 A CB -0.344 18.590 19.000 -0.110 0.000 0.801 240 A HN 0.311 nan 8.150 nan 0.000 0.452 241 K N -0.110 120.277 120.400 -0.022 0.000 2.459 241 K HA 0.087 4.408 4.320 0.001 0.000 0.193 241 K C 0.054 176.675 176.600 0.036 0.000 1.030 241 K CA 0.745 57.033 56.287 0.000 0.000 1.026 241 K CB -0.027 32.475 32.500 0.002 0.000 0.809 241 K HN 0.412 nan 8.250 nan 0.000 0.504 242 V N -1.019 118.921 119.914 0.042 0.000 2.735 242 V HA 0.396 4.517 4.120 0.001 0.000 0.310 242 V C -1.395 174.739 176.094 0.066 0.000 1.061 242 V CA -0.998 61.352 62.300 0.083 0.000 0.913 242 V CB 1.470 33.343 31.823 0.084 0.000 1.005 242 V HN 0.153 nan 8.190 nan 0.000 0.428 243 H N 2.334 121.374 119.070 -0.051 0.000 2.569 243 H HA 0.674 5.231 4.556 0.002 0.000 0.247 243 H C -0.778 174.418 175.328 -0.220 0.000 1.346 243 H CA 0.312 56.293 56.048 -0.112 0.000 1.502 243 H CB 0.778 30.504 29.762 -0.061 0.000 1.512 243 H HN 0.930 nan 8.280 nan 0.000 0.502 244 S N 2.735 118.079 115.700 -0.593 0.000 2.478 244 S HA 0.210 4.680 4.470 0.001 0.000 0.312 244 S C 0.832 175.003 174.600 -0.714 0.000 1.094 244 S CA -1.018 56.737 58.200 -0.742 0.000 1.081 244 S CB 0.520 63.019 63.200 -1.169 0.000 1.007 244 S HN 0.847 nan 8.310 nan 0.000 0.475 245 R N 3.031 122.989 120.500 -0.904 0.000 2.386 245 R HA 0.085 4.426 4.340 0.001 0.000 0.216 245 R C -0.594 175.170 176.300 -0.893 0.000 1.119 245 R CA 0.719 56.327 56.100 -0.820 0.000 1.158 245 R CB -0.715 29.179 30.300 -0.677 0.000 1.057 245 R HN 0.559 nan 8.270 nan 0.000 0.489 246 F N 0.138 119.975 119.950 -0.188 0.000 2.683 246 F HA 0.476 5.004 4.527 0.001 0.000 0.306 246 F C 0.241 175.937 175.800 -0.174 0.000 1.102 246 F CA -0.734 57.183 58.000 -0.137 0.000 1.244 246 F CB 0.485 39.425 39.000 -0.100 0.000 1.029 246 F HN -0.112 nan 8.300 nan 0.000 0.545 247 I N 1.361 121.847 120.570 -0.141 0.000 2.533 247 I HA 0.269 4.440 4.170 0.001 0.000 0.290 247 I C -0.326 175.699 176.117 -0.154 0.000 1.056 247 I CA -1.649 59.557 61.300 -0.156 0.000 1.057 247 I CB 2.354 40.240 38.000 -0.190 0.000 1.240 247 I HN -0.210 nan 8.210 nan 0.000 0.423 248 V N 2.566 122.415 119.914 -0.108 0.000 2.441 248 V HA 0.077 4.198 4.120 0.001 0.000 0.279 248 V C 0.484 176.543 176.094 -0.059 0.000 0.990 248 V CA -0.050 62.211 62.300 -0.065 0.000 1.116 248 V CB -0.300 31.500 31.823 -0.038 0.000 0.977 248 V HN 0.736 nan 8.190 nan 0.000 0.470 249 S N 6.869 122.544 115.700 -0.042 0.000 2.422 249 S HA 0.456 4.927 4.470 0.001 0.000 0.283 249 S C -0.213 174.394 174.600 0.013 0.000 1.163 249 S CA -0.446 57.754 58.200 -0.001 0.000 1.054 249 S CB 0.802 64.043 63.200 0.070 0.000 0.967 249 S HN 0.849 nan 8.310 nan 0.000 0.499 250 L N 3.834 125.036 121.223 -0.034 0.000 2.410 250 L HA 0.460 4.801 4.340 0.001 0.000 0.273 250 L C 0.838 177.614 176.870 -0.157 0.000 1.152 250 L CA 0.451 55.237 54.840 -0.090 0.000 0.855 250 L CB 0.460 42.459 42.059 -0.101 0.000 1.129 250 L HN 0.672 nan 8.230 nan 0.000 0.463 251 A N 4.057 126.709 122.820 -0.280 0.000 1.984 251 A HA 0.297 4.618 4.320 0.001 0.000 0.203 251 A C -0.067 177.094 177.584 -0.705 0.000 1.292 251 A CA 0.433 52.155 52.037 -0.524 0.000 0.782 251 A CB -0.064 18.472 19.000 -0.774 0.000 0.924 251 A HN 0.673 nan 8.150 nan 0.000 0.475 252 Y N -2.197 117.990 120.300 -0.188 0.000 2.638 252 Y HA 0.676 5.227 4.550 0.001 0.000 0.339 252 Y C -0.152 175.668 175.900 -0.133 0.000 1.084 252 Y CA -0.658 57.381 58.100 -0.102 0.000 1.068 252 Y CB 1.964 40.406 38.460 -0.030 0.000 1.294 252 Y HN 0.224 nan 8.280 nan 0.000 0.480 253 A N 1.826 124.711 122.820 0.109 0.000 2.480 253 A HA 0.775 5.096 4.320 0.001 0.000 0.289 253 A C -1.672 175.936 177.584 0.040 0.000 1.044 253 A CA -0.558 51.383 52.037 -0.159 0.000 0.761 253 A CB 0.271 19.003 19.000 -0.447 0.000 1.289 253 A HN 0.734 nan 8.150 nan 0.000 0.401 254 F N 0.053 119.994 119.950 -0.016 0.000 2.715 254 F HA 0.845 5.372 4.527 0.001 0.000 0.318 254 F C -0.501 175.368 175.800 0.115 0.000 1.141 254 F CA -1.023 56.999 58.000 0.036 0.000 0.950 254 F CB 1.308 40.311 39.000 0.005 0.000 1.374 254 F HN 0.554 nan 8.300 nan 0.000 0.477 255 E N -0.688 119.673 120.200 0.268 0.000 2.191 255 E HA 0.471 4.822 4.350 0.001 0.000 0.263 255 E C -0.345 176.332 176.600 0.128 0.000 0.881 255 E CA -0.577 55.874 56.400 0.085 0.000 0.757 255 E CB 2.128 31.839 29.700 0.017 0.000 1.147 255 E HN 0.788 nan 8.360 nan 0.000 0.414 256 T N 1.712 116.302 114.554 0.060 0.000 2.896 256 T HA 0.195 4.545 4.350 0.001 0.000 0.238 256 T C 1.176 175.865 174.700 -0.018 0.000 1.045 256 T CA 1.000 63.141 62.100 0.068 0.000 1.248 256 T CB -0.058 68.846 68.868 0.060 0.000 0.955 256 T HN 0.525 nan 8.240 nan 0.000 0.416 257 K N -1.168 119.182 120.400 -0.083 0.000 2.947 257 K HA 0.047 4.368 4.320 0.001 0.000 0.213 257 K C 2.188 178.714 176.600 -0.123 0.000 2.404 257 K CA 0.783 57.010 56.287 -0.100 0.000 1.481 257 K CB -0.547 31.933 32.500 -0.033 0.000 2.676 257 K HN 0.412 nan 8.250 nan 0.000 0.516 258 T N -0.683 113.826 114.554 -0.075 0.000 2.937 258 T HA 0.096 4.447 4.350 0.001 0.000 0.260 258 T C 0.277 174.914 174.700 -0.106 0.000 1.051 258 T CA 0.990 63.057 62.100 -0.055 0.000 1.141 258 T CB -0.074 68.784 68.868 -0.017 0.000 0.879 258 T HN 0.023 nan 8.240 nan 0.000 0.459 259 D N -0.235 120.083 120.400 -0.136 0.000 2.490 259 D HA 0.664 5.305 4.640 0.001 0.000 0.232 259 D C -1.141 175.008 176.300 -0.251 0.000 1.053 259 D CA -0.627 53.273 54.000 -0.167 0.000 0.914 259 D CB 1.942 42.679 40.800 -0.103 0.000 1.431 259 D HN 0.155 nan 8.370 nan 0.000 0.483 260 L N 0.793 121.834 121.223 -0.305 0.000 2.325 260 L HA 0.674 5.015 4.340 0.001 0.000 0.278 260 L C -0.717 175.987 176.870 -0.277 0.000 1.023 260 L CA -0.685 53.942 54.840 -0.355 0.000 0.811 260 L CB 1.335 43.016 42.059 -0.630 0.000 1.249 260 L HN 0.411 nan 8.230 nan 0.000 0.431 261 C N 2.693 121.763 119.300 -0.383 0.000 2.971 261 C HA 0.718 5.179 4.460 0.001 0.000 0.310 261 C C -0.377 174.350 174.990 -0.438 0.000 1.285 261 C CA -0.953 57.760 59.018 -0.507 0.000 1.593 261 C CB 1.976 29.169 27.740 -0.911 0.000 2.076 261 C HN 0.648 nan 8.230 nan 0.000 0.472 262 L N 1.687 122.735 121.223 -0.292 0.000 2.680 262 L HA 0.265 4.606 4.340 0.001 0.000 0.260 262 L C -0.737 176.059 176.870 -0.123 0.000 0.975 262 L CA -0.167 54.559 54.840 -0.190 0.000 0.920 262 L CB 1.380 43.384 42.059 -0.092 0.000 1.234 262 L HN 0.517 nan 8.230 nan 0.000 0.429 263 V N 5.104 124.947 119.914 -0.118 0.000 2.540 263 V HA 0.172 4.293 4.120 0.001 0.000 0.297 263 V C 0.478 176.506 176.094 -0.110 0.000 1.024 263 V CA 0.598 62.827 62.300 -0.118 0.000 1.105 263 V CB 1.055 32.736 31.823 -0.236 0.000 0.938 263 V HN 0.717 nan 8.190 nan 0.000 0.482 264 M N 3.369 122.989 119.600 0.034 0.000 2.658 264 M HA 0.587 5.068 4.480 0.001 0.000 0.295 264 M C -0.373 176.101 176.300 0.291 0.000 1.248 264 M CA -0.718 54.641 55.300 0.098 0.000 0.843 264 M CB 1.940 34.566 32.600 0.042 0.000 1.749 264 M HN 0.289 nan 8.290 nan 0.000 0.464 265 T N 2.357 117.061 114.554 0.249 0.000 2.853 265 T HA 0.269 4.620 4.350 0.001 0.000 0.298 265 T C 0.371 175.140 174.700 0.116 0.000 0.978 265 T CA -0.353 61.892 62.100 0.243 0.000 1.152 265 T CB 0.064 69.017 68.868 0.142 0.000 0.914 265 T HN 0.642 nan 8.240 nan 0.000 0.539 266 I N 4.133 124.743 120.570 0.067 0.000 2.996 266 I HA -0.058 4.113 4.170 0.001 0.000 0.311 266 I C -0.294 175.836 176.117 0.021 0.000 1.219 266 I CA 0.737 62.055 61.300 0.030 0.000 1.452 266 I CB 0.100 38.089 38.000 -0.019 0.000 1.319 266 I HN 0.495 nan 8.210 nan 0.000 0.564 267 M N 7.955 127.567 119.600 0.021 0.000 2.224 267 M HA 0.216 4.697 4.480 0.001 0.000 0.281 267 M C -0.242 176.060 176.300 0.002 0.000 1.025 267 M CA -0.469 54.840 55.300 0.013 0.000 0.954 267 M CB 1.323 33.929 32.600 0.011 0.000 1.639 267 M HN 0.702 nan 8.290 nan 0.000 0.461 268 N N 1.895 120.600 118.700 0.009 0.000 2.063 268 N HA 0.124 4.865 4.740 0.001 0.000 0.238 268 N C 1.401 176.896 175.510 -0.025 0.000 1.094 268 N CA 1.007 54.056 53.050 -0.001 0.000 1.128 268 N CB 0.259 38.759 38.487 0.022 0.000 1.498 268 N HN 0.779 nan 8.380 nan 0.000 0.563 269 G N -0.079 108.734 108.800 0.021 0.000 2.946 269 G HA2 -0.185 3.776 3.960 0.001 0.000 0.290 269 G HA3 -0.185 3.776 3.960 0.001 0.000 0.290 269 G C 0.589 175.396 174.900 -0.155 0.000 1.077 269 G CA 2.012 47.136 45.100 0.040 0.000 0.808 269 G HN 0.897 nan 8.290 nan 0.000 0.792 270 G N -1.498 107.185 108.800 -0.196 0.000 2.341 270 G HA2 0.508 4.469 3.960 0.001 0.000 0.299 270 G HA3 0.508 4.469 3.960 0.001 0.000 0.299 270 G C -1.398 173.336 174.900 -0.277 0.000 1.274 270 G CA 0.408 45.184 45.100 -0.540 0.000 0.853 270 G HN 0.816 nan 8.290 nan 0.000 0.493 271 D N -1.043 119.189 120.400 -0.279 0.000 2.506 271 D HA 0.508 5.149 4.640 0.001 0.000 0.272 271 D C 1.392 177.679 176.300 -0.022 0.000 1.214 271 D CA -0.768 53.185 54.000 -0.078 0.000 1.067 271 D CB 0.945 41.729 40.800 -0.027 0.000 1.117 271 D HN 0.157 nan 8.370 nan 0.000 0.578 272 I N -0.808 119.822 120.570 0.101 0.000 2.406 272 I HA -0.072 4.099 4.170 0.001 0.000 0.249 272 I C 2.358 178.650 176.117 0.292 0.000 1.122 272 I CA 0.927 62.376 61.300 0.248 0.000 1.431 272 I CB -1.114 37.013 38.000 0.211 0.000 1.087 272 I HN 0.573 nan 8.210 nan 0.000 0.424 273 R N 0.271 120.899 120.500 0.213 0.000 2.083 273 R HA -0.259 4.082 4.340 0.001 0.000 0.237 273 R C 2.474 178.912 176.300 0.230 0.000 1.137 273 R CA 1.732 57.991 56.100 0.264 0.000 0.951 273 R CB -0.593 29.815 30.300 0.180 0.000 0.851 273 R HN 0.181 nan 8.270 nan 0.000 0.434 274 Y N 0.586 120.866 120.300 -0.034 0.000 2.133 274 Y HA -0.377 4.173 4.550 0.002 0.000 0.279 274 Y C 2.419 178.256 175.900 -0.105 0.000 1.209 274 Y CA 2.339 60.352 58.100 -0.144 0.000 1.152 274 Y CB -0.142 38.116 38.460 -0.336 0.000 0.961 274 Y HN 0.319 nan 8.280 nan 0.000 0.512 275 H N -1.626 117.643 119.070 0.332 0.000 2.344 275 H HA -0.004 4.553 4.556 0.001 0.000 0.307 275 H C 2.560 178.043 175.328 0.258 0.000 1.057 275 H CA 1.408 57.650 56.048 0.324 0.000 1.373 275 H CB -0.735 29.255 29.762 0.379 0.000 1.421 275 H HN 0.312 nan 8.280 nan 0.000 0.532 276 I N 0.468 121.196 120.570 0.263 0.000 2.068 276 I HA -0.381 3.790 4.170 0.001 0.000 0.238 276 I C 2.171 178.101 176.117 -0.312 0.000 1.046 276 I CA 1.958 62.990 61.300 -0.446 0.000 1.306 276 I CB -0.404 37.372 38.000 -0.373 0.000 1.023 276 I HN 0.137 nan 8.210 nan 0.000 0.399 277 Y N -0.411 119.833 120.300 -0.094 0.000 2.301 277 Y HA -0.004 4.546 4.550 0.001 0.000 0.295 277 Y C 1.842 177.700 175.900 -0.071 0.000 1.119 277 Y CA 1.150 59.200 58.100 -0.082 0.000 1.162 277 Y CB -0.102 38.321 38.460 -0.062 0.000 1.046 277 Y HN 0.177 nan 8.280 nan 0.000 0.538 278 N N -1.206 117.544 118.700 0.082 0.000 2.200 278 N HA 0.096 4.837 4.740 0.001 0.000 0.224 278 N C 0.960 176.469 175.510 -0.002 0.000 1.179 278 N CA -0.078 52.963 53.050 -0.014 0.000 0.877 278 N CB 0.810 39.207 38.487 -0.150 0.000 1.072 278 N HN -0.011 nan 8.380 nan 0.000 0.519 279 V N 0.353 120.312 119.914 0.075 0.000 2.249 279 V HA -0.075 4.046 4.120 0.001 0.000 0.239 279 V C 0.287 176.413 176.094 0.054 0.000 1.038 279 V CA 1.538 63.903 62.300 0.109 0.000 1.005 279 V CB 0.048 31.966 31.823 0.159 0.000 0.646 279 V HN 0.210 nan 8.190 nan 0.000 0.455 280 D N -1.534 118.885 120.400 0.032 0.000 2.381 280 D HA 0.294 4.935 4.640 0.001 0.000 0.235 280 D C 0.588 176.889 176.300 0.001 0.000 1.068 280 D CA -0.182 53.827 54.000 0.016 0.000 0.832 280 D CB 1.875 42.680 40.800 0.008 0.000 1.101 280 D HN 0.230 nan 8.370 nan 0.000 0.515 281 E N 1.476 121.679 120.200 0.005 0.000 2.008 281 E HA -0.083 4.268 4.350 0.001 0.000 0.191 281 E C 0.938 177.535 176.600 -0.005 0.000 0.986 281 E CA 0.850 57.251 56.400 0.002 0.000 0.807 281 E CB 0.234 29.938 29.700 0.006 0.000 0.766 281 E HN 0.433 nan 8.360 nan 0.000 0.450 282 D N 0.380 120.779 120.400 -0.002 0.000 2.312 282 D HA -0.039 4.602 4.640 0.001 0.000 0.211 282 D C 0.030 176.323 176.300 -0.012 0.000 0.964 282 D CA 0.599 54.596 54.000 -0.004 0.000 0.877 282 D CB -0.055 40.746 40.800 0.001 0.000 0.924 282 D HN -0.005 nan 8.370 nan 0.000 0.515 283 N N 1.743 120.433 118.700 -0.015 0.000 3.044 283 N HA 0.171 4.912 4.740 0.001 0.000 0.254 283 N C -2.514 172.965 175.510 -0.052 0.000 1.253 283 N CA -1.156 51.878 53.050 -0.026 0.000 0.944 283 N CB 1.425 39.904 38.487 -0.013 0.000 1.217 283 N HN 0.097 nan 8.380 nan 0.000 0.498 284 P HA 0.255 nan 4.420 nan 0.000 0.274 284 P C 0.723 177.894 177.300 -0.214 0.000 1.231 284 P CA 0.391 63.408 63.100 -0.138 0.000 0.790 284 P CB 0.881 32.502 31.700 -0.131 0.000 0.951 285 G N 1.154 109.732 108.800 -0.371 0.000 2.642 285 G HA2 -0.174 3.787 3.960 0.001 0.000 0.231 285 G HA3 -0.174 3.787 3.960 0.001 0.000 0.231 285 G C -0.853 173.786 174.900 -0.436 0.000 1.338 285 G CA -0.572 44.178 45.100 -0.583 0.000 0.883 285 G HN 0.431 nan 8.290 nan 0.000 0.570 286 F N 0.012 119.916 119.950 -0.078 0.000 2.613 286 F HA 0.600 5.128 4.527 0.001 0.000 0.342 286 F C 1.133 176.880 175.800 -0.088 0.000 1.066 286 F CA -1.276 56.686 58.000 -0.063 0.000 1.002 286 F CB 1.194 40.192 39.000 -0.002 0.000 1.319 286 F HN 0.466 nan 8.300 nan 0.000 0.495 287 Q N 0.347 120.231 119.800 0.139 0.000 2.286 287 Q HA 0.094 4.434 4.340 0.001 0.000 0.169 287 Q C 0.929 176.918 176.000 -0.018 0.000 1.082 287 Q CA -0.033 55.780 55.803 0.018 0.000 1.101 287 Q CB 0.280 29.015 28.738 -0.006 0.000 1.877 287 Q HN 0.751 nan 8.270 nan 0.000 0.561 288 E N -0.235 119.930 120.200 -0.059 0.000 2.079 288 E HA -0.036 4.315 4.350 0.001 0.000 0.191 288 E C -1.015 175.536 176.600 -0.082 0.000 0.961 288 E CA 0.131 56.479 56.400 -0.088 0.000 0.823 288 E CB -0.351 29.288 29.700 -0.102 0.000 0.789 288 E HN 0.303 nan 8.360 nan 0.000 0.459 289 P HA -0.052 nan 4.420 nan 0.000 0.229 289 P C 0.923 178.146 177.300 -0.129 0.000 1.160 289 P CA 0.758 63.804 63.100 -0.090 0.000 0.777 289 P CB 0.035 31.680 31.700 -0.091 0.000 0.814 290 R N 0.299 120.703 120.500 -0.160 0.000 2.062 290 R HA -0.003 4.338 4.340 0.001 0.000 0.229 290 R C 2.092 178.188 176.300 -0.339 0.000 1.128 290 R CA 1.508 57.419 56.100 -0.316 0.000 0.960 290 R CB -0.758 29.408 30.300 -0.223 0.000 0.855 290 R HN 0.060 nan 8.270 nan 0.000 0.432 291 A N 0.945 123.743 122.820 -0.035 0.000 1.898 291 A HA -0.095 4.226 4.320 0.001 0.000 0.216 291 A C 2.149 179.801 177.584 0.114 0.000 1.181 291 A CA 1.125 53.253 52.037 0.153 0.000 0.620 291 A CB -0.483 18.636 19.000 0.199 0.000 0.819 291 A HN 0.349 nan 8.150 nan 0.000 0.442 292 I N -1.733 118.855 120.570 0.029 0.000 2.127 292 I HA -0.283 3.888 4.170 0.001 0.000 0.241 292 I C 2.360 178.550 176.117 0.122 0.000 1.075 292 I CA 1.942 63.267 61.300 0.042 0.000 1.334 292 I CB -0.365 37.593 38.000 -0.070 0.000 1.040 292 I HN 0.473 nan 8.210 nan 0.000 0.405 293 F N 0.897 120.761 119.950 -0.144 0.000 2.120 293 F HA -0.320 4.208 4.527 0.001 0.000 0.300 293 F C 2.251 178.017 175.800 -0.058 0.000 1.095 293 F CA 1.783 59.678 58.000 -0.175 0.000 1.249 293 F CB -0.324 38.454 39.000 -0.370 0.000 0.995 293 F HN 0.020 nan 8.300 nan 0.000 0.480 294 Y N 0.065 120.485 120.300 0.200 0.000 2.220 294 Y HA -0.108 4.443 4.550 0.001 0.000 0.291 294 Y C 2.702 178.671 175.900 0.115 0.000 1.129 294 Y CA 1.381 59.556 58.100 0.125 0.000 1.161 294 Y CB -1.609 36.935 38.460 0.140 0.000 0.997 294 Y HN -0.042 nan 8.280 nan 0.000 0.522 295 T N 0.170 114.923 114.554 0.331 0.000 2.759 295 T HA -0.220 4.131 4.350 0.001 0.000 0.269 295 T C 2.225 177.128 174.700 0.338 0.000 1.042 295 T CA 1.403 63.710 62.100 0.345 0.000 1.140 295 T CB -0.586 68.519 68.868 0.396 0.000 0.864 295 T HN 0.422 nan 8.240 nan 0.000 0.455 296 A N 1.359 124.364 122.820 0.307 0.000 1.873 296 A HA -0.114 4.207 4.320 0.001 0.000 0.215 296 A C 2.318 179.928 177.584 0.043 0.000 1.186 296 A CA 1.234 53.394 52.037 0.206 0.000 0.616 296 A CB -0.636 18.362 19.000 -0.002 0.000 0.823 296 A HN 0.477 nan 8.150 nan 0.000 0.442 297 Q N -0.644 119.111 119.800 -0.075 0.000 2.181 297 Q HA -0.164 4.176 4.340 0.001 0.000 0.205 297 Q C 2.004 177.944 176.000 -0.100 0.000 0.980 297 Q CA 1.545 57.284 55.803 -0.107 0.000 0.862 297 Q CB -0.342 28.390 28.738 -0.011 0.000 0.905 297 Q HN 0.769 nan 8.270 nan 0.000 0.429 298 I N -0.368 120.225 120.570 0.038 0.000 2.252 298 I HA -0.241 3.930 4.170 0.001 0.000 0.245 298 I C 2.206 178.340 176.117 0.029 0.000 1.102 298 I CA 0.656 61.995 61.300 0.064 0.000 1.385 298 I CB -0.255 37.842 38.000 0.161 0.000 1.064 298 I HN -0.003 nan 8.210 nan 0.000 0.414 299 V N 0.282 120.235 119.914 0.065 0.000 2.324 299 V HA -0.319 3.802 4.120 0.001 0.000 0.250 299 V C 2.407 178.459 176.094 -0.070 0.000 1.060 299 V CA 2.361 64.696 62.300 0.058 0.000 1.042 299 V CB -0.687 31.131 31.823 -0.009 0.000 0.650 299 V HN 0.403 nan 8.190 nan 0.000 0.450 300 S N 0.037 115.575 115.700 -0.270 0.000 2.446 300 S HA 0.030 4.500 4.470 0.001 0.000 0.225 300 S C 2.008 176.330 174.600 -0.462 0.000 1.016 300 S CA 0.855 58.783 58.200 -0.453 0.000 0.943 300 S CB -0.088 62.634 63.200 -0.797 0.000 0.786 300 S HN 0.682 nan 8.310 nan 0.000 0.508 301 G N 1.828 110.375 108.800 -0.421 0.000 2.402 301 G HA2 -0.075 3.886 3.960 0.001 0.000 0.216 301 G HA3 -0.075 3.886 3.960 0.001 0.000 0.216 301 G C 1.289 176.127 174.900 -0.103 0.000 1.162 301 G CA 0.367 45.419 45.100 -0.080 0.000 0.777 301 G HN 0.418 nan 8.290 nan 0.000 0.539 302 L N 0.209 121.355 121.223 -0.130 0.000 2.141 302 L HA -0.021 4.320 4.340 0.001 0.000 0.209 302 L C 2.817 179.505 176.870 -0.303 0.000 1.094 302 L CA 1.012 55.672 54.840 -0.300 0.000 0.763 302 L CB -0.241 41.787 42.059 -0.052 0.000 0.908 302 L HN 0.262 nan 8.230 nan 0.000 0.437 303 E N 0.201 120.413 120.200 0.020 0.000 2.058 303 E HA -0.321 4.030 4.350 0.001 0.000 0.194 303 E C 1.994 178.611 176.600 0.028 0.000 0.997 303 E CA 1.942 58.440 56.400 0.164 0.000 0.801 303 E CB -0.080 29.692 29.700 0.121 0.000 0.746 303 E HN 0.576 nan 8.360 nan 0.000 0.450 304 H N 0.337 119.360 119.070 -0.079 0.000 2.389 304 H HA 0.011 4.568 4.556 0.001 0.000 0.299 304 H C 2.295 177.496 175.328 -0.212 0.000 1.081 304 H CA 1.419 57.424 56.048 -0.071 0.000 1.345 304 H CB -0.113 29.659 29.762 0.016 0.000 1.393 304 H HN 0.121 nan 8.280 nan 0.000 0.520 305 L N 0.039 121.117 121.223 -0.242 0.000 2.013 305 L HA -0.282 4.059 4.340 0.001 0.000 0.212 305 L C 1.354 177.849 176.870 -0.626 0.000 1.073 305 L CA 2.229 56.784 54.840 -0.474 0.000 0.753 305 L CB -0.325 41.264 42.059 -0.783 0.000 0.890 305 L HN 0.575 nan 8.230 nan 0.000 0.432 306 H N -2.067 116.578 119.070 -0.708 0.000 2.562 306 H HA 0.011 4.568 4.556 0.001 0.000 0.267 306 H C 2.115 176.825 175.328 -1.030 0.000 0.959 306 H CA 0.076 55.280 56.048 -1.407 0.000 1.204 306 H CB 0.342 28.716 29.762 -2.313 0.000 1.430 306 H HN 0.388 nan 8.280 nan 0.000 0.545 307 Q N 0.891 120.494 119.800 -0.329 0.000 2.181 307 Q HA -0.114 4.227 4.340 0.001 0.000 0.205 307 Q C 1.244 177.224 176.000 -0.033 0.000 0.980 307 Q CA 1.165 56.992 55.803 0.040 0.000 0.862 307 Q CB 0.119 28.844 28.738 -0.021 0.000 0.905 307 Q HN 0.415 nan 8.270 nan 0.000 0.429 308 R N 0.464 120.890 120.500 -0.123 0.000 2.426 308 R HA 0.066 4.407 4.340 0.001 0.000 0.263 308 R C -0.675 175.616 176.300 -0.014 0.000 0.961 308 R CA -0.124 55.944 56.100 -0.054 0.000 1.086 308 R CB 0.339 30.607 30.300 -0.053 0.000 1.186 308 R HN 0.184 nan 8.270 nan 0.000 0.537 309 N N 0.946 119.627 118.700 -0.031 0.000 2.648 309 N HA -0.183 4.558 4.740 0.001 0.000 0.265 309 N C -1.322 174.309 175.510 0.202 0.000 1.100 309 N CA 1.017 54.163 53.050 0.159 0.000 0.715 309 N CB -1.019 37.599 38.487 0.218 0.000 0.881 309 N HN 0.290 nan 8.380 nan 0.000 0.548 310 I N 0.311 120.917 120.570 0.059 0.000 2.752 310 I HA 0.490 4.661 4.170 0.001 0.000 0.295 310 I C 0.028 176.318 176.117 0.289 0.000 1.219 310 I CA -0.918 60.489 61.300 0.179 0.000 1.030 310 I CB 2.034 40.050 38.000 0.027 0.000 1.259 310 I HN -0.015 nan 8.210 nan 0.000 0.423 311 I N 3.525 124.341 120.570 0.410 0.000 2.648 311 I HA 0.272 4.443 4.170 0.001 0.000 0.304 311 I C -0.169 176.148 176.117 0.334 0.000 1.009 311 I CA -0.575 61.011 61.300 0.476 0.000 1.114 311 I CB 1.880 40.135 38.000 0.425 0.000 1.293 311 I HN 0.600 nan 8.210 nan 0.000 0.449 312 Y N 3.503 123.895 120.300 0.154 0.000 2.559 312 Y HA 0.175 4.726 4.550 0.001 0.000 0.279 312 Y C 1.737 177.679 175.900 0.070 0.000 1.117 312 Y CA 0.158 58.300 58.100 0.071 0.000 1.263 312 Y CB 0.214 38.685 38.460 0.018 0.000 1.230 312 Y HN 0.658 nan 8.280 nan 0.000 0.528 313 R N -0.820 119.722 120.500 0.069 0.000 1.247 313 R HA -0.297 4.044 4.340 0.001 0.000 0.031 313 R C -0.043 176.139 176.300 -0.196 0.000 0.958 313 R CA 2.013 58.081 56.100 -0.053 0.000 1.979 313 R CB -2.026 28.262 30.300 -0.021 0.000 0.185 313 R HN 0.379 nan 8.270 nan 0.000 0.728 314 D N 1.486 121.643 120.400 -0.406 0.000 2.411 314 D HA 0.431 5.072 4.640 0.001 0.000 0.225 314 D C -1.303 174.469 176.300 -0.880 0.000 1.156 314 D CA -0.265 53.454 54.000 -0.468 0.000 0.874 314 D CB 0.762 41.350 40.800 -0.354 0.000 1.034 314 D HN 0.155 nan 8.370 nan 0.000 0.502 315 L N 4.582 125.521 121.223 -0.475 0.000 2.376 315 L HA 0.568 4.909 4.340 0.001 0.000 0.275 315 L C -1.142 175.561 176.870 -0.279 0.000 0.987 315 L CA -0.324 54.342 54.840 -0.290 0.000 0.828 315 L CB 0.951 43.019 42.059 0.016 0.000 1.249 315 L HN 0.498 nan 8.230 nan 0.000 0.409 316 K N 3.179 123.414 120.400 -0.275 0.000 2.578 316 K HA 0.606 4.927 4.320 0.001 0.000 0.287 316 K C -2.882 173.642 176.600 -0.126 0.000 1.010 316 K CA -1.643 54.381 56.287 -0.438 0.000 0.889 316 K CB 0.896 32.803 32.500 -0.987 0.000 1.514 316 K HN 0.063 nan 8.250 nan 0.000 0.424 317 P HA -0.257 nan 4.420 nan 0.000 0.214 317 P C 0.954 178.287 177.300 0.055 0.000 1.163 317 P CA 1.576 64.722 63.100 0.076 0.000 0.883 317 P CB -0.006 31.788 31.700 0.157 0.000 0.788 318 E N -0.603 119.610 120.200 0.022 0.000 2.333 318 E HA -0.170 4.181 4.350 0.001 0.000 0.198 318 E C 0.417 177.019 176.600 0.003 0.000 1.007 318 E CA 1.069 57.478 56.400 0.016 0.000 0.845 318 E CB -1.061 28.639 29.700 -0.001 0.000 0.766 318 E HN 0.192 nan 8.360 nan 0.000 0.507 319 N N 0.667 119.363 118.700 -0.007 0.000 2.378 319 N HA 0.171 4.912 4.740 0.001 0.000 0.243 319 N C -1.421 174.144 175.510 0.091 0.000 1.137 319 N CA 0.032 53.112 53.050 0.050 0.000 0.862 319 N CB 1.202 39.723 38.487 0.057 0.000 1.116 319 N HN -0.048 nan 8.380 nan 0.000 0.499 320 V N 0.751 120.699 119.914 0.057 0.000 2.777 320 V HA 0.413 4.533 4.120 0.001 0.000 0.306 320 V C -0.311 175.799 176.094 0.026 0.000 1.112 320 V CA -0.804 61.528 62.300 0.052 0.000 0.917 320 V CB 2.413 34.275 31.823 0.065 0.000 1.018 320 V HN -0.001 nan 8.190 nan 0.000 0.426 321 L N 4.035 125.268 121.223 0.017 0.000 2.299 321 L HA 0.720 5.061 4.340 0.001 0.000 0.268 321 L C -0.933 175.948 176.870 0.017 0.000 1.012 321 L CA -0.947 53.899 54.840 0.010 0.000 0.816 321 L CB 1.925 43.985 42.059 0.002 0.000 1.355 321 L HN 0.381 nan 8.230 nan 0.000 0.457 322 L N 1.021 122.271 121.223 0.045 0.000 2.476 322 L HA 0.298 4.639 4.340 0.001 0.000 0.269 322 L C -1.194 175.719 176.870 0.072 0.000 0.965 322 L CA -0.762 54.118 54.840 0.066 0.000 0.845 322 L CB 2.133 44.248 42.059 0.094 0.000 1.259 322 L HN 0.641 nan 8.230 nan 0.000 0.403 323 D N 1.249 121.689 120.400 0.067 0.000 2.411 323 D HA 0.054 4.694 4.640 0.001 0.000 0.251 323 D C 0.336 176.666 176.300 0.050 0.000 1.201 323 D CA -0.400 53.630 54.000 0.049 0.000 0.996 323 D CB 0.945 41.767 40.800 0.038 0.000 1.101 323 D HN 0.373 nan 8.370 nan 0.000 0.504 324 D N -0.426 119.994 120.400 0.033 0.000 2.178 324 D HA -0.136 4.505 4.640 0.001 0.000 0.201 324 D C 1.036 177.342 176.300 0.011 0.000 0.980 324 D CA 1.073 55.085 54.000 0.021 0.000 0.842 324 D CB 0.010 40.818 40.800 0.013 0.000 0.948 324 D HN 0.448 nan 8.370 nan 0.000 0.472 325 D N -0.422 119.990 120.400 0.020 0.000 2.234 325 D HA 0.021 4.662 4.640 0.001 0.000 0.205 325 D C 1.659 177.980 176.300 0.035 0.000 0.962 325 D CA 1.164 55.175 54.000 0.018 0.000 0.855 325 D CB 0.380 41.194 40.800 0.023 0.000 0.951 325 D HN 0.333 nan 8.370 nan 0.000 0.500 326 G N 0.741 109.584 108.800 0.071 0.000 2.148 326 G HA2 -0.207 3.754 3.960 0.001 0.000 0.203 326 G HA3 -0.207 3.754 3.960 0.001 0.000 0.203 326 G C -0.132 174.921 174.900 0.255 0.000 0.993 326 G CA -0.508 44.665 45.100 0.121 0.000 0.661 326 G HN 0.134 nan 8.290 nan 0.000 0.518 327 N N 0.844 119.675 118.700 0.218 0.000 2.437 327 N HA 0.527 5.267 4.740 0.001 0.000 0.259 327 N C 0.730 176.355 175.510 0.191 0.000 0.983 327 N CA 0.269 53.476 53.050 0.262 0.000 0.937 327 N CB 2.187 40.777 38.487 0.172 0.000 1.122 327 N HN 0.729 nan 8.380 nan 0.000 0.499 328 V N 1.072 121.125 119.914 0.232 0.000 3.264 328 V HA 0.583 4.703 4.120 0.001 0.000 0.304 328 V C 0.520 176.686 176.094 0.120 0.000 1.086 328 V CA -0.399 61.986 62.300 0.141 0.000 1.090 328 V CB 0.900 32.791 31.823 0.112 0.000 1.112 328 V HN 0.566 nan 8.190 nan 0.000 0.472 329 R N 1.240 121.784 120.500 0.073 0.000 2.906 329 R HA 0.730 5.071 4.340 0.001 0.000 0.258 329 R C -0.950 175.369 176.300 0.032 0.000 1.156 329 R CA -0.801 55.332 56.100 0.055 0.000 0.996 329 R CB 1.931 32.232 30.300 0.002 0.000 1.259 329 R HN 0.930 nan 8.270 nan 0.000 0.462 330 I N -1.166 119.394 120.570 -0.016 0.000 2.530 330 I HA 0.682 4.853 4.170 0.001 0.000 0.297 330 I C -0.521 175.540 176.117 -0.093 0.000 1.011 330 I CA -0.520 60.746 61.300 -0.057 0.000 1.107 330 I CB 2.143 40.043 38.000 -0.167 0.000 1.285 330 I HN 0.686 nan 8.210 nan 0.000 0.436 331 S N 2.104 117.795 115.700 -0.016 0.000 2.661 331 S HA 0.575 5.046 4.470 0.001 0.000 0.285 331 S C -0.848 173.810 174.600 0.098 0.000 1.138 331 S CA -0.632 57.576 58.200 0.014 0.000 0.855 331 S CB 1.689 64.902 63.200 0.021 0.000 1.136 331 S HN 0.921 nan 8.310 nan 0.000 0.484 332 D N -0.202 120.242 120.400 0.073 0.000 4.733 332 D HA -0.084 4.557 4.640 0.001 0.000 0.239 332 D C -0.819 175.583 176.300 0.171 0.000 1.075 332 D CA 0.336 54.394 54.000 0.098 0.000 1.258 332 D CB -0.507 40.341 40.800 0.081 0.000 0.761 332 D HN 0.487 nan 8.370 nan 0.000 0.378 333 L N 3.292 124.590 121.223 0.125 0.000 3.255 333 L HA 0.404 4.745 4.340 0.001 0.000 0.293 333 L C 2.136 179.081 176.870 0.123 0.000 1.302 333 L CA 0.462 55.393 54.840 0.152 0.000 0.977 333 L CB 0.009 42.112 42.059 0.073 0.000 1.390 333 L HN 0.562 nan 8.230 nan 0.000 0.588 334 G N 0.627 109.491 108.800 0.106 0.000 2.433 334 G HA2 -0.160 3.801 3.960 0.001 0.000 0.216 334 G HA3 -0.160 3.801 3.960 0.001 0.000 0.216 334 G C 0.974 175.933 174.900 0.097 0.000 1.186 334 G CA 0.107 45.260 45.100 0.089 0.000 0.779 334 G HN 0.325 nan 8.290 nan 0.000 0.543 335 L N 1.692 122.973 121.223 0.097 0.000 2.382 335 L HA 0.446 4.787 4.340 0.001 0.000 0.259 335 L C 0.468 177.444 176.870 0.178 0.000 1.291 335 L CA -0.234 54.662 54.840 0.093 0.000 1.176 335 L CB 0.321 42.385 42.059 0.008 0.000 1.373 335 L HN 0.218 nan 8.230 nan 0.000 0.426 336 A N 2.580 125.497 122.820 0.162 0.000 3.409 336 A HA 0.360 4.680 4.320 0.001 0.000 0.282 336 A C -0.506 177.160 177.584 0.136 0.000 1.064 336 A CA -0.347 51.793 52.037 0.172 0.000 0.889 336 A CB 0.661 19.744 19.000 0.138 0.000 1.251 336 A HN 0.209 nan 8.150 nan 0.000 0.538 337 V N 0.687 120.688 119.914 0.145 0.000 2.775 337 V HA 0.314 4.435 4.120 0.001 0.000 0.299 337 V C 0.355 176.529 176.094 0.133 0.000 1.062 337 V CA -0.038 62.338 62.300 0.126 0.000 1.063 337 V CB 1.393 33.290 31.823 0.123 0.000 0.994 337 V HN 0.752 nan 8.190 nan 0.000 0.483 338 E N 4.935 125.199 120.200 0.107 0.000 2.191 338 E HA 0.449 4.800 4.350 0.001 0.000 0.278 338 E C -1.226 175.432 176.600 0.097 0.000 0.972 338 E CA -0.674 55.788 56.400 0.105 0.000 0.804 338 E CB 1.430 31.178 29.700 0.081 0.000 1.110 338 E HN 0.690 nan 8.360 nan 0.000 0.394 339 L N 4.247 125.542 121.223 0.120 0.000 2.307 339 L HA 0.355 4.696 4.340 0.001 0.000 0.282 339 L C 0.512 177.428 176.870 0.077 0.000 1.051 339 L CA -0.524 54.370 54.840 0.090 0.000 0.804 339 L CB 1.310 43.438 42.059 0.117 0.000 1.197 339 L HN 0.558 nan 8.230 nan 0.000 0.431 340 K N 1.821 122.251 120.400 0.050 0.000 2.894 340 K HA 0.688 5.009 4.320 0.001 0.000 0.325 340 K C -0.358 176.268 176.600 0.045 0.000 0.984 340 K CA -0.530 55.783 56.287 0.043 0.000 1.266 340 K CB 0.220 32.737 32.500 0.029 0.000 1.423 340 K HN 0.604 nan 8.250 nan 0.000 0.614 341 A N -0.427 122.413 122.820 0.034 0.000 2.343 341 A HA 0.585 4.906 4.320 0.001 0.000 0.308 341 A C 0.396 177.995 177.584 0.025 0.000 1.092 341 A CA 0.005 52.063 52.037 0.034 0.000 0.751 341 A CB 0.746 19.765 19.000 0.031 0.000 1.203 341 A HN 0.715 nan 8.150 nan 0.000 0.452 342 G N 1.017 109.832 108.800 0.025 0.000 2.284 342 G HA2 -0.230 3.731 3.960 0.001 0.000 0.230 342 G HA3 -0.230 3.731 3.960 0.001 0.000 0.230 342 G C 0.536 175.442 174.900 0.011 0.000 1.021 342 G CA 0.533 45.643 45.100 0.018 0.000 0.619 342 G HN 1.011 nan 8.290 nan 0.000 0.510 343 Q N -0.016 119.790 119.800 0.009 0.000 2.317 343 Q HA 0.634 4.975 4.340 0.001 0.000 0.229 343 Q C 1.421 177.416 176.000 -0.009 0.000 0.984 343 Q CA 0.525 56.325 55.803 -0.005 0.000 0.911 343 Q CB 1.298 30.029 28.738 -0.010 0.000 1.217 343 Q HN 0.251 nan 8.270 nan 0.000 0.501 344 T N 0.543 115.080 114.554 -0.029 0.000 3.045 344 T HA 0.255 4.606 4.350 0.001 0.000 0.239 344 T C -0.247 174.401 174.700 -0.086 0.000 1.008 344 T CA 0.505 62.581 62.100 -0.040 0.000 1.143 344 T CB 0.363 69.208 68.868 -0.037 0.000 0.894 344 T HN 0.480 nan 8.240 nan 0.000 0.451 345 K N -0.017 120.317 120.400 -0.111 0.000 2.469 345 K HA 0.598 4.919 4.320 0.001 0.000 0.268 345 K C -1.467 175.019 176.600 -0.191 0.000 1.027 345 K CA -0.817 55.360 56.287 -0.184 0.000 0.893 345 K CB 2.133 34.515 32.500 -0.197 0.000 1.460 345 K HN 0.045 nan 8.250 nan 0.000 0.449 346 T N 0.241 114.621 114.554 -0.289 0.000 2.900 346 T HA 0.468 4.818 4.350 0.001 0.000 0.303 346 T C -1.630 172.792 174.700 -0.463 0.000 1.142 346 T CA -0.690 61.251 62.100 -0.266 0.000 1.007 346 T CB 1.255 70.026 68.868 -0.161 0.000 1.156 346 T HN 0.457 nan 8.240 nan 0.000 0.490 347 K N 0.960 121.190 120.400 -0.283 0.000 2.313 347 K HA 0.893 5.214 4.320 0.001 0.000 0.235 347 K C -0.093 176.506 176.600 -0.002 0.000 1.035 347 K CA -0.858 55.284 56.287 -0.240 0.000 0.868 347 K CB 2.051 34.482 32.500 -0.114 0.000 1.232 347 K HN 0.943 nan 8.250 nan 0.000 0.459 348 G N -0.070 108.829 108.800 0.166 0.000 2.343 348 G HA2 0.151 4.112 3.960 0.001 0.000 0.289 348 G HA3 0.151 4.112 3.960 0.001 0.000 0.289 348 G C -2.403 172.675 174.900 0.297 0.000 1.295 348 G CA -0.785 44.447 45.100 0.220 0.000 0.869 348 G HN 0.484 nan 8.290 nan 0.000 0.522 349 Y N 0.334 120.687 120.300 0.089 0.000 2.325 349 Y HA 0.654 5.205 4.550 0.001 0.000 0.336 349 Y C -0.239 175.676 175.900 0.025 0.000 1.130 349 Y CA 0.487 58.613 58.100 0.043 0.000 1.264 349 Y CB 0.865 39.341 38.460 0.027 0.000 1.128 349 Y HN 1.751 nan 8.280 nan 0.000 0.469 350 A N 2.974 125.733 122.820 -0.102 0.000 2.569 350 A HA 0.814 5.135 4.320 0.001 0.000 0.292 350 A C -0.289 177.223 177.584 -0.120 0.000 1.032 350 A CA -0.041 51.962 52.037 -0.058 0.000 0.669 350 A CB 0.537 19.564 19.000 0.045 0.000 1.290 350 A HN 1.699 nan 8.150 nan 0.000 0.422 351 G N -0.726 108.024 108.800 -0.083 0.000 2.286 351 G HA2 0.534 4.495 3.960 0.001 0.000 0.118 351 G HA3 0.534 4.495 3.960 0.001 0.000 0.118 351 G C -0.652 174.224 174.900 -0.041 0.000 1.267 351 G CA 0.418 45.470 45.100 -0.080 0.000 1.171 351 G HN 1.665 nan 8.290 nan 0.000 0.465 352 T N 2.869 117.424 114.554 0.002 0.000 2.937 352 T HA 0.612 4.963 4.350 0.001 0.000 0.297 352 T C -2.986 171.795 174.700 0.135 0.000 0.991 352 T CA -0.713 61.441 62.100 0.091 0.000 0.990 352 T CB 2.377 71.335 68.868 0.150 0.000 0.991 352 T HN 0.356 nan 8.240 nan 0.000 0.440 353 P HA 0.208 nan 4.420 nan 0.000 0.253 353 P C 1.054 178.378 177.300 0.040 0.000 1.170 353 P CA 1.218 64.341 63.100 0.038 0.000 0.806 353 P CB -0.024 31.695 31.700 0.033 0.000 0.775 354 G N 2.267 111.059 108.800 -0.013 0.000 2.612 354 G HA2 -0.260 3.700 3.960 0.001 0.000 0.200 354 G HA3 -0.260 3.700 3.960 0.001 0.000 0.200 354 G C 0.575 175.304 174.900 -0.284 0.000 1.053 354 G CA -0.387 44.607 45.100 -0.177 0.000 0.707 354 G HN 0.403 nan 8.290 nan 0.000 0.497 355 F N 2.202 122.217 119.950 0.108 0.000 2.695 355 F HA 0.567 5.095 4.527 0.001 0.000 0.303 355 F C 1.730 177.579 175.800 0.081 0.000 1.091 355 F CA -0.126 57.938 58.000 0.107 0.000 1.300 355 F CB 0.125 39.138 39.000 0.022 0.000 1.071 355 F HN 0.044 nan 8.300 nan 0.000 0.578 356 M N 0.705 120.378 119.600 0.121 0.000 2.245 356 M HA 0.298 4.779 4.480 0.001 0.000 0.330 356 M C 0.664 176.904 176.300 -0.101 0.000 1.098 356 M CA -0.219 55.042 55.300 -0.065 0.000 1.172 356 M CB 0.526 33.017 32.600 -0.182 0.000 1.467 356 M HN 0.126 nan 8.290 nan 0.000 0.454 357 A N 2.980 125.607 122.820 -0.323 0.000 2.272 357 A HA 0.418 4.739 4.320 0.001 0.000 0.275 357 A C -1.900 175.297 177.584 -0.644 0.000 1.096 357 A CA -1.434 50.173 52.037 -0.717 0.000 0.822 357 A CB -0.384 18.320 19.000 -0.494 0.000 1.088 357 A HN 0.594 nan 8.150 nan 0.000 0.495 358 P HA -0.194 nan 4.420 nan 0.000 0.215 358 P C 1.125 178.273 177.300 -0.253 0.000 1.157 358 P CA 1.743 64.598 63.100 -0.409 0.000 0.874 358 P CB 0.045 31.534 31.700 -0.353 0.000 0.790 359 E N -0.329 119.737 120.200 -0.223 0.000 2.511 359 E HA -0.079 4.272 4.350 0.001 0.000 0.196 359 E C 1.768 178.323 176.600 -0.074 0.000 1.066 359 E CA 0.475 56.820 56.400 -0.093 0.000 0.871 359 E CB -0.866 28.821 29.700 -0.022 0.000 0.863 359 E HN 0.303 nan 8.360 nan 0.000 0.520 360 L N 0.007 121.072 121.223 -0.264 0.000 2.298 360 L HA 0.123 4.464 4.340 0.001 0.000 0.209 360 L C 2.331 179.039 176.870 -0.271 0.000 1.084 360 L CA 0.176 54.762 54.840 -0.424 0.000 0.816 360 L CB 0.089 41.763 42.059 -0.642 0.000 0.967 360 L HN 0.086 nan 8.230 nan 0.000 0.460 361 L N -0.723 120.364 121.223 -0.227 0.000 2.095 361 L HA -0.166 4.175 4.340 0.001 0.000 0.204 361 L C 2.295 179.186 176.870 0.035 0.000 1.080 361 L CA 0.979 55.718 54.840 -0.168 0.000 0.759 361 L CB -0.169 41.802 42.059 -0.148 0.000 0.914 361 L HN 0.244 nan 8.230 nan 0.000 0.439 362 L N -0.477 120.758 121.223 0.019 0.000 2.141 362 L HA -0.046 4.295 4.340 0.001 0.000 0.209 362 L C 1.143 178.087 176.870 0.123 0.000 1.094 362 L CA 0.950 55.828 54.840 0.064 0.000 0.763 362 L CB -0.521 41.549 42.059 0.018 0.000 0.908 362 L HN 0.510 nan 8.230 nan 0.000 0.437 363 G N 0.477 109.364 108.800 0.144 0.000 2.392 363 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 363 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 363 G C -0.176 174.812 174.900 0.148 0.000 1.097 363 G CA -0.361 44.860 45.100 0.201 0.000 0.840 363 G HN 0.354 nan 8.290 nan 0.000 0.492 364 E N -0.505 119.790 120.200 0.159 0.000 2.518 364 E HA 0.494 4.845 4.350 0.001 0.000 0.248 364 E C -0.052 176.571 176.600 0.039 0.000 1.028 364 E CA -0.952 55.499 56.400 0.085 0.000 0.922 364 E CB 1.222 30.957 29.700 0.059 0.000 1.299 364 E HN 0.364 nan 8.360 nan 0.000 0.457 365 E N 0.957 121.119 120.200 -0.063 0.000 2.152 365 E HA 0.163 4.514 4.350 0.001 0.000 0.285 365 E C -1.330 175.182 176.600 -0.147 0.000 1.043 365 E CA -0.110 56.158 56.400 -0.221 0.000 0.839 365 E CB 0.322 29.926 29.700 -0.160 0.000 1.069 365 E HN 0.258 nan 8.360 nan 0.000 0.399 366 Y N 0.651 120.899 120.300 -0.086 0.000 2.462 366 Y HA 0.352 4.903 4.550 0.001 0.000 0.346 366 Y C -0.048 175.756 175.900 -0.161 0.000 0.976 366 Y CA -1.722 56.317 58.100 -0.102 0.000 1.044 366 Y CB 0.707 39.112 38.460 -0.092 0.000 1.230 366 Y HN 0.338 nan 8.280 nan 0.000 0.455 367 D N 1.774 122.181 120.400 0.012 0.000 2.447 367 D HA 0.053 4.694 4.640 0.001 0.000 0.265 367 D C 0.423 176.656 176.300 -0.111 0.000 1.250 367 D CA -0.497 53.405 54.000 -0.164 0.000 1.046 367 D CB 0.441 41.202 40.800 -0.066 0.000 1.095 367 D HN 0.596 nan 8.370 nan 0.000 0.555 368 F N -0.326 119.618 119.950 -0.010 0.000 2.333 368 F HA -0.130 4.398 4.527 0.001 0.000 0.300 368 F C 2.586 178.310 175.800 -0.128 0.000 1.083 368 F CA 1.013 58.904 58.000 -0.182 0.000 1.395 368 F CB -0.313 38.245 39.000 -0.737 0.000 1.056 368 F HN 0.274 nan 8.300 nan 0.000 0.529 369 S N 0.154 115.989 115.700 0.224 0.000 2.595 369 S HA -0.087 4.384 4.470 0.001 0.000 0.235 369 S C 1.940 176.689 174.600 0.247 0.000 0.974 369 S CA 0.670 59.077 58.200 0.345 0.000 0.942 369 S CB -1.291 62.143 63.200 0.390 0.000 0.766 369 S HN 0.363 nan 8.310 nan 0.000 0.536 370 V N -0.515 119.475 119.914 0.125 0.000 2.626 370 V HA -0.129 3.992 4.120 0.001 0.000 0.252 370 V C 1.714 177.894 176.094 0.143 0.000 1.067 370 V CA 1.796 64.137 62.300 0.068 0.000 1.081 370 V CB -0.796 30.946 31.823 -0.134 0.000 0.686 370 V HN 0.220 nan 8.190 nan 0.000 0.468 371 D N 0.114 120.571 120.400 0.096 0.000 2.091 371 D HA -0.101 4.540 4.640 0.001 0.000 0.199 371 D C 2.066 178.438 176.300 0.120 0.000 0.980 371 D CA 2.053 56.095 54.000 0.070 0.000 0.831 371 D CB -0.601 40.204 40.800 0.008 0.000 0.987 371 D HN 0.629 nan 8.370 nan 0.000 0.460 372 Y N -0.419 120.019 120.300 0.230 0.000 2.333 372 Y HA -0.146 4.405 4.550 0.001 0.000 0.290 372 Y C 2.217 178.214 175.900 0.160 0.000 1.144 372 Y CA 0.286 58.493 58.100 0.179 0.000 1.228 372 Y CB -0.210 38.340 38.460 0.149 0.000 0.985 372 Y HN -0.081 nan 8.280 nan 0.000 0.542 373 F N 0.340 120.409 119.950 0.199 0.000 2.113 373 F HA -0.161 4.367 4.527 0.001 0.000 0.297 373 F C 2.370 178.242 175.800 0.121 0.000 1.103 373 F CA 1.127 59.199 58.000 0.121 0.000 1.248 373 F CB -0.511 38.535 39.000 0.076 0.000 0.999 373 F HN -0.037 nan 8.300 nan 0.000 0.475 374 A N 0.475 123.498 122.820 0.339 0.000 1.908 374 A HA -0.214 4.107 4.320 0.001 0.000 0.218 374 A C 2.096 179.862 177.584 0.303 0.000 1.181 374 A CA 1.838 54.084 52.037 0.348 0.000 0.627 374 A CB -1.340 17.853 19.000 0.322 0.000 0.818 374 A HN 0.532 nan 8.150 nan 0.000 0.445 375 L N 0.298 121.660 121.223 0.231 0.000 2.042 375 L HA -0.054 4.287 4.340 0.001 0.000 0.210 375 L C 2.317 179.281 176.870 0.156 0.000 1.076 375 L CA 2.578 57.551 54.840 0.221 0.000 0.749 375 L CB -1.292 40.924 42.059 0.262 0.000 0.893 375 L HN 0.273 nan 8.230 nan 0.000 0.432 376 G N -0.780 108.043 108.800 0.039 0.000 2.440 376 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 376 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 376 G C 1.508 176.374 174.900 -0.057 0.000 1.154 376 G CA 1.250 46.316 45.100 -0.057 0.000 0.767 376 G HN 0.374 nan 8.290 nan 0.000 0.552 377 V N 1.036 120.852 119.914 -0.163 0.000 2.427 377 V HA -0.167 3.954 4.120 0.001 0.000 0.248 377 V C 3.137 179.328 176.094 0.162 0.000 1.051 377 V CA 2.290 64.469 62.300 -0.202 0.000 1.048 377 V CB -0.932 30.575 31.823 -0.527 0.000 0.666 377 V HN 0.408 nan 8.190 nan 0.000 0.456 378 T N 0.801 115.574 114.554 0.366 0.000 2.674 378 T HA -0.180 4.171 4.350 0.001 0.000 0.265 378 T C 1.934 176.806 174.700 0.286 0.000 1.039 378 T CA 1.738 64.076 62.100 0.395 0.000 1.150 378 T CB -0.415 68.634 68.868 0.301 0.000 0.864 378 T HN 0.315 nan 8.240 nan 0.000 0.427 379 L N 0.287 121.662 121.223 0.253 0.000 2.127 379 L HA -0.052 4.289 4.340 0.001 0.000 0.211 379 L C 2.057 179.073 176.870 0.243 0.000 1.089 379 L CA 1.580 56.567 54.840 0.244 0.000 0.757 379 L CB -0.898 41.300 42.059 0.233 0.000 0.899 379 L HN 0.317 nan 8.230 nan 0.000 0.434 380 Y N 0.383 120.765 120.300 0.136 0.000 2.109 380 Y HA -0.251 4.300 4.550 0.001 0.000 0.285 380 Y C 2.690 178.636 175.900 0.076 0.000 1.131 380 Y CA 2.115 60.298 58.100 0.139 0.000 1.121 380 Y CB -0.078 38.368 38.460 -0.024 0.000 0.987 380 Y HN 0.349 nan 8.280 nan 0.000 0.495 381 E N -0.290 120.102 120.200 0.320 0.000 2.265 381 E HA -0.226 4.125 4.350 0.001 0.000 0.196 381 E C 2.148 178.747 176.600 -0.001 0.000 0.996 381 E CA 0.934 57.445 56.400 0.184 0.000 0.832 381 E CB -0.105 29.758 29.700 0.271 0.000 0.756 381 E HN 0.522 nan 8.360 nan 0.000 0.491 382 M N -0.081 119.555 119.600 0.060 0.000 2.059 382 M HA -0.130 4.351 4.480 0.001 0.000 0.259 382 M C 1.196 177.373 176.300 -0.206 0.000 1.072 382 M CA 1.404 56.697 55.300 -0.010 0.000 1.117 382 M CB 0.042 32.800 32.600 0.263 0.000 1.320 382 M HN 0.129 nan 8.290 nan 0.000 0.408 383 I N -0.738 119.758 120.570 -0.123 0.000 3.731 383 I HA 0.169 4.340 4.170 0.001 0.000 0.341 383 I C 0.787 176.760 176.117 -0.240 0.000 1.532 383 I CA -0.218 60.952 61.300 -0.217 0.000 1.163 383 I CB -0.236 37.576 38.000 -0.312 0.000 1.339 383 I HN 0.181 nan 8.210 nan 0.000 0.449 384 A N 1.074 123.755 122.820 -0.231 0.000 1.827 384 A HA 0.637 4.958 4.320 0.001 0.000 0.196 384 A C 1.399 178.892 177.584 -0.152 0.000 1.833 384 A CA 0.630 52.556 52.037 -0.186 0.000 1.363 384 A CB 0.283 19.132 19.000 -0.251 0.000 1.439 384 A HN 0.585 nan 8.150 nan 0.000 0.391 385 A N -0.341 122.318 122.820 -0.268 0.000 3.009 385 A HA -0.069 4.252 4.320 0.001 0.000 0.264 385 A C 0.271 177.771 177.584 -0.141 0.000 1.408 385 A CA 1.600 53.383 52.037 -0.423 0.000 0.789 385 A CB -2.235 16.573 19.000 -0.322 0.000 1.040 385 A HN 1.853 nan 8.150 nan 0.000 0.576 386 R N -2.160 118.351 120.500 0.019 0.000 2.765 386 R HA 0.563 4.904 4.340 0.001 0.000 0.277 386 R C 0.187 176.584 176.300 0.162 0.000 1.028 386 R CA -0.582 55.611 56.100 0.155 0.000 0.860 386 R CB 0.041 30.414 30.300 0.121 0.000 1.270 386 R HN 1.317 nan 8.270 nan 0.000 0.484 387 G N 1.244 110.101 108.800 0.094 0.000 2.441 387 G HA2 0.299 4.260 3.960 0.001 0.000 0.243 387 G HA3 0.299 4.260 3.960 0.001 0.000 0.243 387 G C -1.521 173.213 174.900 -0.277 0.000 1.281 387 G CA -1.220 43.843 45.100 -0.061 0.000 0.854 387 G HN 0.460 nan 8.290 nan 0.000 0.560 388 P HA -0.152 nan 4.420 nan 0.000 0.215 388 P C 1.306 178.004 177.300 -1.003 0.000 1.153 388 P CA 1.415 63.643 63.100 -1.453 0.000 0.853 388 P CB 0.069 30.736 31.700 -1.721 0.000 0.788 389 F N -0.529 119.181 119.950 -0.401 0.000 2.262 389 F HA 0.086 4.614 4.527 0.001 0.000 0.292 389 F C 2.056 177.753 175.800 -0.172 0.000 1.081 389 F CA 0.193 58.036 58.000 -0.262 0.000 1.355 389 F CB -0.573 38.311 39.000 -0.193 0.000 1.069 389 F HN -0.299 nan 8.300 nan 0.000 0.506 390 R N 0.593 121.109 120.500 0.027 0.000 2.697 390 R HA 0.558 4.899 4.340 0.001 0.000 0.262 390 R C -0.147 176.156 176.300 0.006 0.000 1.255 390 R CA -0.239 55.876 56.100 0.024 0.000 1.136 390 R CB -0.010 30.306 30.300 0.027 0.000 1.169 390 R HN 0.084 nan 8.270 nan 0.000 0.594 391 A N 0.499 123.331 122.820 0.021 0.000 2.311 391 A HA 0.332 4.653 4.320 0.001 0.000 0.334 391 A C -0.377 177.237 177.584 0.050 0.000 1.139 391 A CA -0.741 51.315 52.037 0.032 0.000 0.830 391 A CB 0.784 19.800 19.000 0.027 0.000 1.234 391 A HN 0.705 nan 8.150 nan 0.000 0.483 392 R N 0.619 121.161 120.500 0.070 0.000 2.504 392 R HA 0.222 4.563 4.340 0.001 0.000 0.291 392 R C 1.114 177.461 176.300 0.079 0.000 0.974 392 R CA 1.425 57.590 56.100 0.108 0.000 1.077 392 R CB -0.425 29.950 30.300 0.125 0.000 0.926 392 R HN 1.900 nan 8.270 nan 0.000 0.407 393 G N 3.092 111.936 108.800 0.073 0.000 2.186 393 G HA2 -0.376 3.585 3.960 0.001 0.000 0.266 393 G HA3 -0.376 3.585 3.960 0.001 0.000 0.266 393 G C 0.054 174.967 174.900 0.022 0.000 0.982 393 G CA 0.730 45.847 45.100 0.028 0.000 0.670 393 G HN 0.775 nan 8.290 nan 0.000 0.533 394 E N 0.429 120.646 120.200 0.029 0.000 2.351 394 E HA 0.327 4.678 4.350 0.001 0.000 0.266 394 E C 0.234 176.844 176.600 0.018 0.000 1.031 394 E CA -0.267 56.145 56.400 0.021 0.000 0.911 394 E CB 0.173 29.886 29.700 0.022 0.000 0.986 394 E HN 0.252 nan 8.360 nan 0.000 0.446 395 K N 4.118 124.525 120.400 0.012 0.000 2.518 395 K HA 0.109 4.430 4.320 0.001 0.000 0.244 395 K C -0.229 176.377 176.600 0.010 0.000 1.232 395 K CA -0.318 55.975 56.287 0.010 0.000 1.189 395 K CB 0.111 32.614 32.500 0.006 0.000 1.737 395 K HN 0.324 nan 8.250 nan 0.000 0.333 396 V N -1.958 117.963 119.914 0.011 0.000 3.133 396 V HA 0.229 4.350 4.120 0.001 0.000 0.305 396 V C 0.550 176.650 176.094 0.009 0.000 1.084 396 V CA -0.752 61.552 62.300 0.008 0.000 1.089 396 V CB 0.979 32.806 31.823 0.005 0.000 1.073 396 V HN 0.431 nan 8.190 nan 0.000 0.477 397 E N 1.831 122.034 120.200 0.006 0.000 2.405 397 E HA 0.204 4.555 4.350 0.001 0.000 0.253 397 E C 0.454 177.060 176.600 0.010 0.000 1.257 397 E CA -0.129 56.276 56.400 0.009 0.000 0.960 397 E CB 0.167 29.871 29.700 0.006 0.000 1.077 397 E HN 0.788 nan 8.360 nan 0.000 0.512 398 N N 0.485 119.196 118.700 0.018 0.000 2.412 398 N HA -0.031 4.710 4.740 0.001 0.000 0.184 398 N C 0.808 176.327 175.510 0.016 0.000 1.101 398 N CA 0.493 53.557 53.050 0.023 0.000 0.881 398 N CB 0.204 38.718 38.487 0.046 0.000 0.969 398 N HN 0.252 nan 8.380 nan 0.000 0.459 399 K N 0.717 121.121 120.400 0.008 0.000 2.044 399 K HA -0.047 4.274 4.320 0.001 0.000 0.204 399 K C 1.595 178.180 176.600 -0.025 0.000 1.049 399 K CA 0.778 57.064 56.287 -0.003 0.000 0.945 399 K CB 0.146 32.644 32.500 -0.004 0.000 0.724 399 K HN -0.002 nan 8.250 nan 0.000 0.440 400 E N 1.329 121.513 120.200 -0.026 0.000 2.152 400 E HA -0.140 4.211 4.350 0.001 0.000 0.192 400 E C 1.741 178.305 176.600 -0.060 0.000 0.983 400 E CA 0.559 56.934 56.400 -0.042 0.000 0.818 400 E CB -0.111 29.571 29.700 -0.029 0.000 0.758 400 E HN 0.041 nan 8.360 nan 0.000 0.467 401 L N 0.988 122.187 121.223 -0.040 0.000 2.141 401 L HA -0.053 4.288 4.340 0.001 0.000 0.209 401 L C 2.097 178.916 176.870 -0.085 0.000 1.094 401 L CA 1.930 56.744 54.840 -0.043 0.000 0.763 401 L CB -0.603 41.452 42.059 -0.007 0.000 0.908 401 L HN 0.105 nan 8.230 nan 0.000 0.437 402 K N -1.561 118.796 120.400 -0.073 0.000 2.062 402 K HA -0.146 4.175 4.320 0.001 0.000 0.205 402 K C 2.085 178.604 176.600 -0.136 0.000 1.051 402 K CA 0.914 57.146 56.287 -0.092 0.000 0.941 402 K CB -0.068 32.407 32.500 -0.041 0.000 0.719 402 K HN 0.308 nan 8.250 nan 0.000 0.440 403 Q N 0.540 120.267 119.800 -0.122 0.000 2.224 403 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 403 Q C 1.808 177.674 176.000 -0.222 0.000 0.970 403 Q CA 1.318 57.038 55.803 -0.138 0.000 0.865 403 Q CB 0.182 28.862 28.738 -0.096 0.000 0.922 403 Q HN 0.337 nan 8.270 nan 0.000 0.445 404 R N -0.912 119.413 120.500 -0.292 0.000 2.210 404 R HA 0.051 4.392 4.340 0.001 0.000 0.203 404 R C 2.227 177.883 176.300 -1.073 0.000 1.010 404 R CA 0.212 55.992 56.100 -0.533 0.000 1.008 404 R CB 0.245 30.325 30.300 -0.365 0.000 0.923 404 R HN -0.000 nan 8.270 nan 0.000 0.469 405 V N 1.179 120.705 119.914 -0.647 0.000 2.427 405 V HA -0.188 3.933 4.120 0.001 0.000 0.248 405 V C 1.988 177.879 176.094 -0.339 0.000 1.051 405 V CA 1.620 63.641 62.300 -0.466 0.000 1.048 405 V CB -0.171 31.558 31.823 -0.156 0.000 0.666 405 V HN 0.243 nan 8.190 nan 0.000 0.456 406 L N -1.174 119.872 121.223 -0.295 0.000 2.121 406 L HA 0.023 4.364 4.340 0.001 0.000 0.200 406 L C 2.478 179.250 176.870 -0.164 0.000 1.077 406 L CA 1.262 55.985 54.840 -0.195 0.000 0.766 406 L CB -0.408 41.561 42.059 -0.149 0.000 0.931 406 L HN 0.241 nan 8.230 nan 0.000 0.452 407 E N -0.347 119.740 120.200 -0.189 0.000 2.038 407 E HA -0.100 4.251 4.350 0.001 0.000 0.190 407 E C 0.864 177.390 176.600 -0.123 0.000 0.967 407 E CA -0.036 56.288 56.400 -0.128 0.000 0.816 407 E CB 0.107 29.741 29.700 -0.110 0.000 0.784 407 E HN 0.281 nan 8.360 nan 0.000 0.456 408 Q N 1.158 120.841 119.800 -0.195 0.000 2.286 408 Q HA 0.119 4.460 4.340 0.001 0.000 0.290 408 Q C -0.655 175.351 176.000 0.010 0.000 1.049 408 Q CA -0.475 55.260 55.803 -0.113 0.000 0.923 408 Q CB 0.729 29.381 28.738 -0.144 0.000 1.183 408 Q HN 0.125 nan 8.270 nan 0.000 0.383 409 A N 3.393 126.247 122.820 0.057 0.000 2.249 409 A HA 0.431 4.752 4.320 0.001 0.000 0.281 409 A C -0.623 177.006 177.584 0.075 0.000 1.127 409 A CA -0.611 51.486 52.037 0.100 0.000 0.833 409 A CB 0.750 19.791 19.000 0.068 0.000 1.140 409 A HN 0.595 nan 8.150 nan 0.000 0.502 410 V N 1.231 121.126 119.914 -0.031 0.000 2.364 410 V HA 0.350 4.471 4.120 0.001 0.000 0.272 410 V C 0.493 176.358 176.094 -0.383 0.000 1.036 410 V CA 0.018 62.113 62.300 -0.341 0.000 0.880 410 V CB 0.600 32.049 31.823 -0.623 0.000 0.991 410 V HN 0.916 nan 8.190 nan 0.000 0.460 411 T N 2.707 117.074 114.554 -0.313 0.000 2.875 411 T HA 0.519 4.869 4.350 0.001 0.000 0.307 411 T C -0.534 174.041 174.700 -0.207 0.000 1.013 411 T CA -0.391 61.612 62.100 -0.162 0.000 0.970 411 T CB -0.451 68.376 68.868 -0.069 0.000 0.986 411 T HN 0.360 nan 8.240 nan 0.000 0.536 412 Y N 3.837 124.090 120.300 -0.080 0.000 2.304 412 Y HA 0.491 5.042 4.550 0.001 0.000 0.327 412 Y C -0.990 174.857 175.900 -0.088 0.000 1.209 412 Y CA -1.696 56.304 58.100 -0.167 0.000 1.299 412 Y CB 0.512 38.786 38.460 -0.309 0.000 1.249 412 Y HN 0.556 nan 8.280 nan 0.000 0.519 413 P HA 0.315 nan 4.420 nan 0.000 0.344 413 P C -0.557 176.813 177.300 0.118 0.000 1.282 413 P CA -0.317 62.836 63.100 0.088 0.000 0.769 413 P CB 1.135 32.884 31.700 0.080 0.000 1.561 414 D N -1.358 119.102 120.400 0.101 0.000 2.249 414 D HA -0.040 4.601 4.640 0.001 0.000 0.205 414 D C 1.717 178.088 176.300 0.119 0.000 0.962 414 D CA 0.893 54.948 54.000 0.092 0.000 0.860 414 D CB -0.186 40.649 40.800 0.058 0.000 0.955 414 D HN 0.367 nan 8.370 nan 0.000 0.505 415 K N -0.374 120.117 120.400 0.151 0.000 2.280 415 K HA -0.047 4.274 4.320 0.001 0.000 0.202 415 K C 0.040 176.703 176.600 0.106 0.000 1.047 415 K CA 0.267 56.619 56.287 0.109 0.000 0.942 415 K CB -0.035 32.511 32.500 0.077 0.000 0.739 415 K HN 0.065 nan 8.250 nan 0.000 0.457 416 F N 1.462 121.400 119.950 -0.020 0.000 2.443 416 F HA -0.004 4.523 4.527 0.001 0.000 0.353 416 F C 0.901 176.677 175.800 -0.039 0.000 1.101 416 F CA -0.681 57.299 58.000 -0.032 0.000 1.226 416 F CB 0.870 39.850 39.000 -0.033 0.000 1.140 416 F HN -0.001 nan 8.300 nan 0.000 0.557 417 S N 4.106 119.827 115.700 0.034 0.000 2.617 417 S HA 0.255 4.726 4.470 0.001 0.000 0.269 417 S C -1.711 172.921 174.600 0.053 0.000 1.292 417 S CA -1.192 57.019 58.200 0.018 0.000 1.010 417 S CB 1.276 64.452 63.200 -0.040 0.000 0.944 417 S HN 0.463 nan 8.310 nan 0.000 0.536 418 P HA -0.042 nan 4.420 nan 0.000 0.219 418 P C 1.414 178.736 177.300 0.036 0.000 1.150 418 P CA 1.432 64.544 63.100 0.020 0.000 0.814 418 P CB -0.282 31.420 31.700 0.004 0.000 0.787 419 A N 0.328 123.164 122.820 0.026 0.000 1.933 419 A HA -0.121 4.200 4.320 0.001 0.000 0.218 419 A C 2.441 180.103 177.584 0.129 0.000 1.175 419 A CA 1.995 54.061 52.037 0.049 0.000 0.628 419 A CB -1.385 17.595 19.000 -0.033 0.000 0.814 419 A HN 0.199 nan 8.150 nan 0.000 0.444 420 S N -0.614 115.150 115.700 0.107 0.000 2.371 420 S HA -0.098 4.372 4.470 0.001 0.000 0.224 420 S C 1.980 176.731 174.600 0.252 0.000 1.029 420 S CA 1.340 59.658 58.200 0.197 0.000 0.978 420 S CB -0.176 63.093 63.200 0.115 0.000 0.833 420 S HN 0.670 nan 8.310 nan 0.000 0.466 421 K N 1.078 121.552 120.400 0.125 0.000 2.057 421 K HA -0.142 4.179 4.320 0.001 0.000 0.206 421 K C 1.621 178.161 176.600 -0.101 0.000 1.050 421 K CA 1.564 57.722 56.287 -0.216 0.000 0.935 421 K CB -0.206 32.082 32.500 -0.352 0.000 0.715 421 K HN 0.137 nan 8.250 nan 0.000 0.439 422 D N -0.561 119.875 120.400 0.060 0.000 2.264 422 D HA -0.130 4.511 4.640 0.001 0.000 0.208 422 D C 1.434 177.908 176.300 0.290 0.000 0.966 422 D CA 0.618 54.710 54.000 0.154 0.000 0.864 422 D CB 0.076 40.982 40.800 0.177 0.000 0.933 422 D HN 0.160 nan 8.370 nan 0.000 0.499 423 F N -0.187 119.800 119.950 0.061 0.000 2.262 423 F HA 0.075 4.603 4.527 0.001 0.000 0.292 423 F C 2.090 177.866 175.800 -0.040 0.000 1.081 423 F CA 0.223 58.141 58.000 -0.137 0.000 1.355 423 F CB -0.529 38.326 39.000 -0.242 0.000 1.069 423 F HN 0.022 nan 8.300 nan 0.000 0.506 424 C N 0.417 119.761 119.300 0.073 0.000 2.432 424 C HA -0.117 4.344 4.460 0.001 0.000 0.280 424 C C 2.617 177.638 174.990 0.053 0.000 1.353 424 C CA 0.842 59.889 59.018 0.047 0.000 1.766 424 C CB -1.060 26.834 27.740 0.257 0.000 1.924 424 C HN 0.444 nan 8.230 nan 0.000 0.509 425 E N 0.575 120.821 120.200 0.076 0.000 2.265 425 E HA -0.153 4.198 4.350 0.001 0.000 0.196 425 E C 2.228 178.859 176.600 0.052 0.000 0.996 425 E CA 1.119 57.574 56.400 0.092 0.000 0.832 425 E CB -0.070 29.681 29.700 0.085 0.000 0.756 425 E HN 0.725 nan 8.360 nan 0.000 0.491 426 A N 0.871 123.687 122.820 -0.007 0.000 1.874 426 A HA -0.072 4.249 4.320 0.001 0.000 0.214 426 A C 2.115 179.669 177.584 -0.049 0.000 1.189 426 A CA 0.617 52.634 52.037 -0.032 0.000 0.615 426 A CB -0.435 18.512 19.000 -0.090 0.000 0.830 426 A HN 0.124 nan 8.150 nan 0.000 0.443 427 L N -0.586 120.554 121.223 -0.138 0.000 2.141 427 L HA -0.041 4.300 4.340 0.001 0.000 0.209 427 L C 1.379 178.242 176.870 -0.010 0.000 1.094 427 L CA 0.752 55.542 54.840 -0.083 0.000 0.763 427 L CB -0.305 41.657 42.059 -0.161 0.000 0.908 427 L HN 0.322 nan 8.230 nan 0.000 0.437 428 L N -0.472 120.724 121.223 -0.046 0.000 2.728 428 L HA 0.109 4.450 4.340 0.001 0.000 0.235 428 L C 0.550 177.560 176.870 0.232 0.000 1.197 428 L CA -0.382 54.428 54.840 -0.050 0.000 0.992 428 L CB -0.245 41.734 42.059 -0.134 0.000 1.263 428 L HN 0.210 nan 8.230 nan 0.000 0.484 429 Q N 0.980 120.918 119.800 0.231 0.000 2.454 429 Q HA 0.053 4.394 4.340 0.001 0.000 0.247 429 Q C 0.769 176.911 176.000 0.235 0.000 1.028 429 Q CA 0.118 56.039 55.803 0.197 0.000 0.910 429 Q CB 0.932 29.750 28.738 0.132 0.000 1.276 429 Q HN 0.055 nan 8.270 nan 0.000 0.489 430 K N 0.761 121.242 120.400 0.135 0.000 2.487 430 K HA 0.156 4.477 4.320 0.001 0.000 0.192 430 K C -0.182 176.422 176.600 0.006 0.000 1.027 430 K CA 0.457 56.784 56.287 0.067 0.000 1.054 430 K CB 0.397 32.918 32.500 0.035 0.000 0.824 430 K HN 0.422 nan 8.250 nan 0.000 0.510 431 D N -0.401 120.017 120.400 0.032 0.000 2.552 431 D HA 0.187 4.828 4.640 0.001 0.000 0.239 431 D C -2.107 174.217 176.300 0.038 0.000 1.139 431 D CA -1.427 52.581 54.000 0.012 0.000 0.914 431 D CB 2.860 43.669 40.800 0.016 0.000 1.461 431 D HN -0.236 nan 8.370 nan 0.000 0.462 432 P HA 0.143 nan 4.420 nan 0.000 0.245 432 P C 0.662 178.001 177.300 0.065 0.000 1.203 432 P CA 0.553 63.689 63.100 0.060 0.000 0.792 432 P CB 0.942 32.673 31.700 0.050 0.000 0.997 433 E N 0.515 120.744 120.200 0.048 0.000 2.230 433 E HA -0.028 4.323 4.350 0.001 0.000 0.192 433 E C 1.482 178.109 176.600 0.046 0.000 0.987 433 E CA 0.751 57.177 56.400 0.044 0.000 0.841 433 E CB 0.040 29.759 29.700 0.031 0.000 0.783 433 E HN 0.352 nan 8.360 nan 0.000 0.481 434 K N 0.413 120.843 120.400 0.050 0.000 2.379 434 K HA 0.087 4.408 4.320 0.001 0.000 0.194 434 K C 0.930 177.565 176.600 0.058 0.000 1.031 434 K CA -0.115 56.203 56.287 0.052 0.000 1.037 434 K CB 0.438 32.969 32.500 0.052 0.000 0.824 434 K HN -0.140 nan 8.250 nan 0.000 0.516 435 R N 2.071 122.613 120.500 0.070 0.000 2.265 435 R HA 0.080 4.421 4.340 0.001 0.000 0.314 435 R C -0.483 175.842 176.300 0.042 0.000 1.053 435 R CA -0.446 55.697 56.100 0.072 0.000 0.931 435 R CB 0.476 30.855 30.300 0.132 0.000 1.024 435 R HN -0.055 nan 8.270 nan 0.000 0.457 436 L N 6.211 127.426 121.223 -0.014 0.000 2.583 436 L HA 0.152 4.493 4.340 0.001 0.000 0.280 436 L C 0.264 177.040 176.870 -0.156 0.000 1.261 436 L CA 0.675 55.478 54.840 -0.062 0.000 1.164 436 L CB -0.134 41.885 42.059 -0.066 0.000 1.402 436 L HN 0.802 nan 8.230 nan 0.000 0.443 437 G N 2.566 111.350 108.800 -0.028 0.000 2.714 437 G HA2 0.089 4.050 3.960 0.001 0.000 0.197 437 G HA3 0.089 4.050 3.960 0.001 0.000 0.197 437 G C -0.598 174.380 174.900 0.131 0.000 1.449 437 G CA -0.661 44.492 45.100 0.089 0.000 1.065 437 G HN 0.341 nan 8.290 nan 0.000 0.575 438 F N 2.142 122.214 119.950 0.204 0.000 2.439 438 F HA 0.499 5.027 4.527 0.001 0.000 0.356 438 F C 0.179 176.046 175.800 0.111 0.000 1.161 438 F CA -0.697 57.413 58.000 0.183 0.000 1.151 438 F CB 0.198 39.357 39.000 0.265 0.000 1.222 438 F HN -0.058 nan 8.300 nan 0.000 0.558 439 R N 4.350 124.712 120.500 -0.229 0.000 2.628 439 R HA 0.302 4.642 4.340 0.001 0.000 0.288 439 R C -0.084 176.042 176.300 -0.291 0.000 0.980 439 R CA -0.647 55.343 56.100 -0.183 0.000 0.891 439 R CB 1.273 31.521 30.300 -0.085 0.000 1.188 439 R HN 0.711 nan 8.270 nan 0.000 0.450 440 D N 0.819 121.091 120.400 -0.213 0.000 2.911 440 D HA -0.188 4.453 4.640 0.001 0.000 0.199 440 D C 0.889 177.044 176.300 -0.241 0.000 1.041 440 D CA 2.028 55.918 54.000 -0.184 0.000 1.013 440 D CB -0.965 39.744 40.800 -0.151 0.000 1.093 440 D HN 0.913 nan 8.370 nan 0.000 0.431 441 G N -0.647 107.881 108.800 -0.452 0.000 2.259 441 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 441 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 441 G C 0.229 174.808 174.900 -0.534 0.000 1.001 441 G CA 0.893 45.739 45.100 -0.424 0.000 0.627 441 G HN 1.506 nan 8.290 nan 0.000 0.501 442 S N -1.849 113.545 115.700 -0.510 0.000 2.638 442 S HA 0.507 4.978 4.470 0.001 0.000 0.274 442 S C 0.267 174.690 174.600 -0.295 0.000 1.157 442 S CA 0.051 58.071 58.200 -0.301 0.000 0.826 442 S CB 1.330 64.448 63.200 -0.137 0.000 1.139 442 S HN 0.878 nan 8.310 nan 0.000 0.474 443 C N 2.112 121.309 119.300 -0.171 0.000 2.389 443 C HA 0.307 4.768 4.460 0.001 0.000 0.416 443 C C 1.451 176.280 174.990 -0.269 0.000 1.304 443 C CA -0.350 58.546 59.018 -0.203 0.000 1.675 443 C CB -2.524 25.104 27.740 -0.186 0.000 1.989 443 C HN 0.816 nan 8.230 nan 0.000 0.591 444 D N 1.454 121.717 120.400 -0.227 0.000 2.269 444 D HA -0.056 4.585 4.640 0.001 0.000 0.208 444 D C 2.189 178.389 176.300 -0.167 0.000 0.963 444 D CA 1.323 55.200 54.000 -0.206 0.000 0.864 444 D CB 0.097 40.807 40.800 -0.150 0.000 0.936 444 D HN 0.629 nan 8.370 nan 0.000 0.505 445 G N 0.634 109.351 108.800 -0.138 0.000 2.494 445 G HA2 -0.104 3.857 3.960 0.001 0.000 0.216 445 G HA3 -0.104 3.857 3.960 0.001 0.000 0.216 445 G C 1.647 176.521 174.900 -0.043 0.000 1.140 445 G CA -0.078 44.976 45.100 -0.077 0.000 0.801 445 G HN 0.250 nan 8.290 nan 0.000 0.536 446 L N -0.007 121.160 121.223 -0.093 0.000 2.044 446 L HA 0.128 4.469 4.340 0.001 0.000 0.205 446 L C 2.980 179.783 176.870 -0.112 0.000 1.075 446 L CA 0.838 55.662 54.840 -0.028 0.000 0.747 446 L CB -0.156 41.842 42.059 -0.102 0.000 0.903 446 L HN 0.078 nan 8.230 nan 0.000 0.435 447 R N -0.909 119.349 120.500 -0.405 0.000 2.200 447 R HA -0.147 4.194 4.340 0.001 0.000 0.234 447 R C 1.974 178.153 176.300 -0.201 0.000 1.127 447 R CA 1.701 57.359 56.100 -0.736 0.000 0.989 447 R CB -0.467 29.122 30.300 -1.184 0.000 0.869 447 R HN 0.415 nan 8.270 nan 0.000 0.459 448 T N -0.413 114.098 114.554 -0.072 0.000 2.904 448 T HA -0.128 4.222 4.350 0.001 0.000 0.267 448 T C 0.741 175.493 174.700 0.086 0.000 1.059 448 T CA 0.489 62.607 62.100 0.030 0.000 1.137 448 T CB -0.262 68.608 68.868 0.004 0.000 0.879 448 T HN 0.297 nan 8.240 nan 0.000 0.467 449 H N 2.283 121.361 119.070 0.014 0.000 3.094 449 H HA -0.015 4.542 4.556 0.001 0.000 0.320 449 H C -1.656 173.636 175.328 -0.061 0.000 1.000 449 H CA -1.245 54.771 56.048 -0.053 0.000 1.413 449 H CB 1.036 30.656 29.762 -0.236 0.000 1.405 449 H HN -0.023 nan 8.280 nan 0.000 0.586 450 P HA -0.258 nan 4.420 nan 0.000 0.222 450 P C 1.676 178.894 177.300 -0.137 0.000 1.154 450 P CA 0.979 63.920 63.100 -0.265 0.000 0.874 450 P CB 0.098 31.566 31.700 -0.387 0.000 0.787 451 L N -2.410 118.726 121.223 -0.145 0.000 2.450 451 L HA -0.006 4.335 4.340 0.001 0.000 0.224 451 L C 0.566 177.070 176.870 -0.611 0.000 1.149 451 L CA 1.289 55.887 54.840 -0.404 0.000 0.816 451 L CB -1.049 40.639 42.059 -0.618 0.000 0.932 451 L HN -0.172 nan 8.230 nan 0.000 0.449 452 F N -0.732 119.221 119.950 0.004 0.000 2.371 452 F HA 0.370 4.898 4.527 0.002 0.000 0.343 452 F C 1.277 177.077 175.800 0.000 0.000 1.150 452 F CA -0.512 57.501 58.000 0.021 0.000 1.220 452 F CB 0.238 39.375 39.000 0.227 0.000 1.475 452 F HN -0.131 nan 8.300 nan 0.000 0.521 453 R N -0.441 120.087 120.500 0.046 0.000 2.087 453 R HA 0.066 4.407 4.340 0.001 0.000 0.213 453 R C 1.179 177.474 176.300 -0.008 0.000 1.137 453 R CA 0.408 56.520 56.100 0.020 0.000 1.022 453 R CB -0.184 30.105 30.300 -0.018 0.000 0.920 453 R HN 0.158 nan 8.270 nan 0.000 0.451 454 D N 1.603 121.982 120.400 -0.035 0.000 2.116 454 D HA -0.117 4.524 4.640 0.001 0.000 0.193 454 D C 0.638 176.896 176.300 -0.071 0.000 0.998 454 D CA 1.071 55.042 54.000 -0.048 0.000 0.836 454 D CB -0.104 40.663 40.800 -0.054 0.000 0.951 454 D HN 0.072 nan 8.370 nan 0.000 0.449 455 I N 1.525 122.036 120.570 -0.099 0.000 2.347 455 I HA 0.039 4.210 4.170 0.001 0.000 0.294 455 I C 0.720 176.626 176.117 -0.351 0.000 1.090 455 I CA -0.294 60.863 61.300 -0.238 0.000 1.314 455 I CB 0.001 37.807 38.000 -0.323 0.000 1.423 455 I HN -0.215 nan 8.210 nan 0.000 0.503 456 S N 5.996 121.545 115.700 -0.251 0.000 2.545 456 S HA 0.232 4.703 4.470 0.001 0.000 0.275 456 S C -0.346 174.107 174.600 -0.244 0.000 1.299 456 S CA -0.482 57.615 58.200 -0.171 0.000 1.048 456 S CB 0.223 63.383 63.200 -0.067 0.000 0.938 456 S HN 0.464 nan 8.310 nan 0.000 0.496 457 W N 6.028 127.305 121.300 -0.037 0.000 1.438 457 W HA 0.345 5.005 4.660 0.001 0.000 0.455 457 W C 1.348 177.839 176.519 -0.047 0.000 0.656 457 W CA -0.487 56.818 57.345 -0.067 0.000 2.049 457 W CB 0.108 29.511 29.460 -0.094 0.000 1.683 457 W HN 0.605 nan 8.180 nan 0.000 0.228 458 R N -0.787 119.762 120.500 0.082 0.000 3.969 458 R HA 0.026 4.367 4.340 0.001 0.000 0.120 458 R C 1.825 178.145 176.300 0.032 0.000 0.681 458 R CA 0.056 56.194 56.100 0.064 0.000 1.259 458 R CB -0.144 30.168 30.300 0.020 0.000 1.619 458 R HN 0.259 nan 8.270 nan 0.000 0.452 459 Q N 1.290 121.080 119.800 -0.016 0.000 2.135 459 Q HA -0.102 4.239 4.340 0.001 0.000 0.204 459 Q C 1.954 177.961 176.000 0.012 0.000 0.981 459 Q CA 1.376 57.173 55.803 -0.010 0.000 0.856 459 Q CB -0.081 28.641 28.738 -0.027 0.000 0.902 459 Q HN -0.001 nan 8.270 nan 0.000 0.425 460 L N 1.222 122.431 121.223 -0.023 0.000 2.141 460 L HA -0.150 4.191 4.340 0.001 0.000 0.209 460 L C 1.662 178.613 176.870 0.135 0.000 1.094 460 L CA 1.710 56.542 54.840 -0.012 0.000 0.763 460 L CB -0.128 41.829 42.059 -0.170 0.000 0.908 460 L HN 0.130 nan 8.230 nan 0.000 0.437 461 E N -0.963 119.342 120.200 0.174 0.000 2.274 461 E HA -0.098 4.253 4.350 0.001 0.000 0.194 461 E C 1.979 178.683 176.600 0.172 0.000 0.996 461 E CA 0.729 57.309 56.400 0.300 0.000 0.840 461 E CB -0.063 29.788 29.700 0.252 0.000 0.772 461 E HN 0.647 nan 8.360 nan 0.000 0.491 462 A N 0.743 123.621 122.820 0.096 0.000 1.862 462 A HA 0.355 4.675 4.320 0.001 0.000 0.211 462 A C 1.501 179.102 177.584 0.029 0.000 1.220 462 A CA 0.976 53.041 52.037 0.047 0.000 0.616 462 A CB -0.001 19.017 19.000 0.029 0.000 0.878 462 A HN 0.260 nan 8.150 nan 0.000 0.453 463 G N -1.879 106.948 108.800 0.044 0.000 2.932 463 G HA2 0.008 3.968 3.960 0.001 0.000 0.180 463 G HA3 0.008 3.968 3.960 0.001 0.000 0.180 463 G C -0.040 174.885 174.900 0.041 0.000 1.072 463 G CA 0.161 45.290 45.100 0.047 0.000 0.997 463 G HN 0.210 nan 8.290 nan 0.000 0.541 464 M N -0.036 119.594 119.600 0.049 0.000 2.193 464 M HA 0.304 4.784 4.480 0.001 0.000 0.365 464 M C 0.782 177.107 176.300 0.042 0.000 0.877 464 M CA 0.078 55.398 55.300 0.032 0.000 1.077 464 M CB 0.643 33.250 32.600 0.012 0.000 1.967 464 M HN 0.413 nan 8.290 nan 0.000 0.668 465 L N 2.107 123.383 121.223 0.087 0.000 2.319 465 L HA 0.217 4.558 4.340 0.001 0.000 0.280 465 L C -0.135 176.770 176.870 0.058 0.000 1.099 465 L CA 0.173 55.074 54.840 0.102 0.000 0.828 465 L CB 1.160 43.354 42.059 0.225 0.000 1.150 465 L HN 0.079 nan 8.230 nan 0.000 0.442 466 T N 6.576 121.109 114.554 -0.035 0.000 2.751 466 T HA 0.147 4.498 4.350 0.001 0.000 0.279 466 T C -2.232 172.294 174.700 -0.290 0.000 0.941 466 T CA -0.646 61.384 62.100 -0.116 0.000 1.192 466 T CB -0.084 68.720 68.868 -0.106 0.000 0.883 466 T HN 0.435 nan 8.240 nan 0.000 0.534 467 P HA 0.168 nan 4.420 nan 0.000 0.271 467 P C -1.661 175.277 177.300 -0.603 0.000 1.218 467 P CA -1.562 61.005 63.100 -0.888 0.000 0.780 467 P CB 0.138 31.537 31.700 -0.501 0.000 0.901 468 P HA 0.046 nan 4.420 nan 0.000 0.244 468 P C -0.515 176.729 177.300 -0.092 0.000 1.211 468 P CA 0.853 63.740 63.100 -0.356 0.000 0.760 468 P CB -0.167 31.299 31.700 -0.391 0.000 0.961 469 F N -0.264 119.533 119.950 -0.256 0.000 3.055 469 F HA 0.210 4.738 4.527 0.001 0.000 0.358 469 F C -1.124 174.609 175.800 -0.113 0.000 1.262 469 F CA -0.967 56.942 58.000 -0.152 0.000 1.172 469 F CB 0.957 39.877 39.000 -0.134 0.000 1.503 469 F HN -0.452 nan 8.300 nan 0.000 0.621 470 V N 7.289 126.883 119.914 -0.534 0.000 2.583 470 V HA 0.432 4.552 4.120 0.001 0.000 0.287 470 V C -1.812 173.928 176.094 -0.590 0.000 1.051 470 V CA -1.012 61.046 62.300 -0.404 0.000 1.010 470 V CB 0.824 32.477 31.823 -0.283 0.000 0.988 470 V HN 0.614 nan 8.190 nan 0.000 0.478 471 P HA 0.466 nan 4.420 nan 0.000 0.284 471 P C -0.961 176.290 177.300 -0.081 0.000 1.292 471 P CA -0.708 62.321 63.100 -0.118 0.000 0.800 471 P CB 0.830 32.567 31.700 0.061 0.000 1.188 495 F N 1.355 121.344 119.950 0.065 0.000 2.399 495 F HA 0.552 5.080 4.527 0.001 0.000 0.328 495 F C 1.135 176.966 175.800 0.052 0.000 1.084 495 F CA 0.049 58.096 58.000 0.078 0.000 1.053 495 F CB 1.321 40.394 39.000 0.122 0.000 1.209 495 F HN 0.597 nan 8.300 nan 0.000 0.502 496 E N 0.849 121.204 120.200 0.258 0.000 2.504 496 E HA 0.147 4.498 4.350 0.001 0.000 0.253 496 E C 0.805 177.490 176.600 0.140 0.000 1.151 496 E CA -0.500 55.987 56.400 0.146 0.000 0.972 496 E CB 0.956 30.704 29.700 0.081 0.000 1.247 496 E HN 0.519 nan 8.360 nan 0.000 0.519 497 K N 0.389 120.836 120.400 0.079 0.000 2.103 497 K HA -0.035 4.286 4.320 0.001 0.000 0.204 497 K C 1.698 178.318 176.600 0.033 0.000 1.052 497 K CA 1.160 57.479 56.287 0.053 0.000 0.945 497 K CB -0.132 32.391 32.500 0.038 0.000 0.722 497 K HN 0.422 nan 8.250 nan 0.000 0.443 498 A N 1.370 124.210 122.820 0.032 0.000 2.131 498 A HA -0.176 4.145 4.320 0.001 0.000 0.220 498 A C 1.202 178.786 177.584 0.000 0.000 1.158 498 A CA 1.862 53.910 52.037 0.017 0.000 0.665 498 A CB -0.256 18.743 19.000 -0.002 0.000 0.795 498 A HN 0.434 nan 8.150 nan 0.000 0.460 499 D N -1.573 118.804 120.400 -0.037 0.000 2.369 499 D HA -0.022 4.619 4.640 0.001 0.000 0.231 499 D C 1.646 177.478 176.300 -0.781 0.000 0.967 499 D CA 1.476 55.300 54.000 -0.293 0.000 0.905 499 D CB -0.609 40.227 40.800 0.060 0.000 1.044 499 D HN 0.319 nan 8.370 nan 0.000 0.487 500 T N 1.107 115.470 114.554 -0.318 0.000 2.995 500 T HA -0.087 4.264 4.350 0.001 0.000 0.269 500 T C 1.654 176.315 174.700 -0.066 0.000 1.091 500 T CA 0.666 62.690 62.100 -0.127 0.000 1.128 500 T CB 0.241 69.105 68.868 -0.007 0.000 0.891 500 T HN 0.172 nan 8.240 nan 0.000 0.492 501 E N 0.052 120.219 120.200 -0.055 0.000 2.152 501 E HA -0.075 4.276 4.350 0.001 0.000 0.192 501 E C 1.710 178.321 176.600 0.020 0.000 0.983 501 E CA 0.623 57.024 56.400 0.002 0.000 0.818 501 E CB -0.081 29.636 29.700 0.027 0.000 0.758 501 E HN 0.524 nan 8.360 nan 0.000 0.467 502 F N 0.046 119.874 119.950 -0.203 0.000 2.234 502 F HA 0.002 4.530 4.527 0.001 0.000 0.296 502 F C 1.592 177.339 175.800 -0.088 0.000 1.089 502 F CA 0.968 58.862 58.000 -0.177 0.000 1.343 502 F CB -0.352 38.494 39.000 -0.258 0.000 1.040 502 F HN -0.046 nan 8.300 nan 0.000 0.498 503 F N 0.535 120.405 119.950 -0.133 0.000 2.216 503 F HA -0.211 4.317 4.527 0.002 0.000 0.300 503 F C 2.357 178.095 175.800 -0.103 0.000 1.085 503 F CA 1.081 58.947 58.000 -0.222 0.000 1.326 503 F CB -0.526 38.379 39.000 -0.158 0.000 1.027 503 F HN 0.043 nan 8.300 nan 0.000 0.497 504 Q N -0.135 119.714 119.800 0.081 0.000 2.269 504 Q HA -0.101 4.240 4.340 0.001 0.000 0.201 504 Q C 1.919 177.910 176.000 -0.015 0.000 0.946 504 Q CA 0.570 56.400 55.803 0.045 0.000 0.877 504 Q CB -0.036 28.726 28.738 0.040 0.000 0.963 504 Q HN 0.489 nan 8.270 nan 0.000 0.472 505 E N 0.472 120.635 120.200 -0.061 0.000 2.028 505 E HA -0.180 4.171 4.350 0.001 0.000 0.191 505 E C 1.696 178.207 176.600 -0.147 0.000 0.988 505 E CA 0.863 57.212 56.400 -0.086 0.000 0.799 505 E CB -0.140 29.529 29.700 -0.053 0.000 0.755 505 E HN 0.236 nan 8.360 nan 0.000 0.447 506 F N 1.944 121.607 119.950 -0.478 0.000 2.063 506 F HA -0.222 4.306 4.527 0.001 0.000 0.298 506 F C 1.087 176.741 175.800 -0.243 0.000 1.105 506 F CA 1.419 59.135 58.000 -0.472 0.000 1.215 506 F CB -0.245 38.334 39.000 -0.701 0.000 0.972 506 F HN -0.139 nan 8.300 nan 0.000 0.483 507 A N 0.414 123.177 122.820 -0.094 0.000 2.666 507 A HA 0.327 4.647 4.320 0.001 0.000 0.301 507 A C 1.013 178.517 177.584 -0.133 0.000 1.470 507 A CA 0.331 52.293 52.037 -0.125 0.000 1.159 507 A CB -1.018 18.032 19.000 0.082 0.000 1.116 507 A HN 0.489 nan 8.150 nan 0.000 0.548 508 S N 1.944 117.520 115.700 -0.207 0.000 2.743 508 S HA 0.398 4.869 4.470 0.001 0.000 0.230 508 S C 1.426 175.946 174.600 -0.132 0.000 0.950 508 S CA 0.533 58.639 58.200 -0.157 0.000 0.976 508 S CB -0.711 62.383 63.200 -0.176 0.000 0.779 508 S HN 2.131 nan 8.310 nan 0.000 0.487 509 G N 1.885 110.635 108.800 -0.084 0.000 4.230 509 G HA2 -0.389 3.571 3.960 0.001 0.000 0.340 509 G HA3 -0.389 3.571 3.960 0.001 0.000 0.340 509 G C 0.368 175.262 174.900 -0.010 0.000 1.315 509 G CA 0.902 45.976 45.100 -0.044 0.000 1.033 509 G HN 1.479 nan 8.290 nan 0.000 0.741 510 T N -1.485 112.999 114.554 -0.116 0.000 2.925 510 T HA 0.585 4.936 4.350 0.001 0.000 0.285 510 T C -0.278 174.275 174.700 -0.246 0.000 1.021 510 T CA -0.085 61.907 62.100 -0.179 0.000 1.042 510 T CB 2.109 70.757 68.868 -0.367 0.000 1.037 510 T HN 1.086 nan 8.240 nan 0.000 0.481 511 C N 4.172 123.288 119.300 -0.306 0.000 2.301 511 C HA 0.469 4.930 4.460 0.001 0.000 0.323 511 C C -1.280 173.568 174.990 -0.236 0.000 1.265 511 C CA -1.228 57.637 59.018 -0.254 0.000 1.503 511 C CB 0.776 28.376 27.740 -0.233 0.000 2.195 511 C HN 0.712 nan 8.230 nan 0.000 0.477 512 P HA -0.051 nan 4.420 nan 0.000 0.215 512 P C 1.330 178.644 177.300 0.024 0.000 1.157 512 P CA 1.364 64.365 63.100 -0.164 0.000 0.863 512 P CB 0.263 31.881 31.700 -0.137 0.000 0.787 513 I N -0.742 119.815 120.570 -0.022 0.000 2.277 513 I HA -0.048 4.123 4.170 0.001 0.000 0.243 513 I C -0.654 175.428 176.117 -0.058 0.000 1.094 513 I CA 1.025 62.307 61.300 -0.031 0.000 1.393 513 I CB -1.822 36.102 38.000 -0.127 0.000 1.078 513 I HN -0.045 nan 8.210 nan 0.000 0.417 514 P HA -0.213 nan 4.420 nan 0.000 0.218 514 P C 1.306 178.646 177.300 0.066 0.000 1.148 514 P CA 1.329 64.410 63.100 -0.032 0.000 0.822 514 P CB -0.143 31.559 31.700 0.005 0.000 0.784 515 W N 0.933 122.130 121.300 -0.171 0.000 2.333 515 W HA -0.224 4.437 4.660 0.002 0.000 0.316 515 W C 2.299 178.808 176.519 -0.018 0.000 1.215 515 W CA 1.633 58.916 57.345 -0.104 0.000 1.278 515 W CB -0.819 28.527 29.460 -0.190 0.000 1.154 515 W HN -0.060 nan 8.180 nan 0.000 0.486 516 Q N 0.005 119.996 119.800 0.318 0.000 2.061 516 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 516 Q C 2.171 178.083 176.000 -0.147 0.000 0.984 516 Q CA 2.141 57.978 55.803 0.057 0.000 0.846 516 Q CB -0.543 28.301 28.738 0.177 0.000 0.902 516 Q HN 0.487 nan 8.270 nan 0.000 0.421 517 E N 0.559 120.712 120.200 -0.080 0.000 2.085 517 E HA -0.251 4.099 4.350 0.001 0.000 0.194 517 E C 1.946 178.505 176.600 -0.069 0.000 0.994 517 E CA 1.049 57.402 56.400 -0.078 0.000 0.801 517 E CB -0.041 29.632 29.700 -0.045 0.000 0.743 517 E HN 0.354 nan 8.360 nan 0.000 0.453 518 E N 0.062 120.229 120.200 -0.054 0.000 2.085 518 E HA -0.234 4.117 4.350 0.001 0.000 0.194 518 E C 1.880 178.419 176.600 -0.101 0.000 0.994 518 E CA 1.328 57.709 56.400 -0.030 0.000 0.801 518 E CB 0.131 29.860 29.700 0.049 0.000 0.743 518 E HN 0.120 nan 8.360 nan 0.000 0.453 519 M N 0.035 119.491 119.600 -0.239 0.000 2.200 519 M HA -0.038 4.443 4.480 0.001 0.000 0.265 519 M C 2.240 178.512 176.300 -0.046 0.000 1.066 519 M CA 1.151 56.332 55.300 -0.198 0.000 1.127 519 M CB -0.728 31.626 32.600 -0.410 0.000 1.379 519 M HN 0.191 nan 8.290 nan 0.000 0.420 520 I N -0.275 120.238 120.570 -0.095 0.000 2.333 520 I HA -0.188 3.983 4.170 0.001 0.000 0.246 520 I C 2.258 178.395 176.117 0.033 0.000 1.106 520 I CA 0.970 62.255 61.300 -0.025 0.000 1.411 520 I CB -0.345 37.546 38.000 -0.183 0.000 1.082 520 I HN 0.322 nan 8.210 nan 0.000 0.420 521 E N 0.398 120.596 120.200 -0.003 0.000 2.072 521 E HA -0.170 4.181 4.350 0.001 0.000 0.190 521 E C 2.131 178.745 176.600 0.023 0.000 0.982 521 E CA 1.845 58.252 56.400 0.011 0.000 0.803 521 E CB -0.119 29.581 29.700 0.000 0.000 0.755 521 E HN 0.555 nan 8.360 nan 0.000 0.453 522 T N -2.743 111.823 114.554 0.020 0.000 3.085 522 T HA 0.109 4.460 4.350 0.001 0.000 0.263 522 T C 1.611 176.338 174.700 0.045 0.000 1.127 522 T CA 0.690 62.806 62.100 0.027 0.000 1.103 522 T CB 0.273 69.155 68.868 0.023 0.000 0.921 522 T HN 0.318 nan 8.240 nan 0.000 0.510 523 G N 0.194 109.034 108.800 0.067 0.000 2.199 523 G HA2 -0.326 3.635 3.960 0.001 0.000 0.254 523 G HA3 -0.326 3.635 3.960 0.001 0.000 0.254 523 G C 0.960 175.915 174.900 0.091 0.000 0.982 523 G CA 0.249 45.398 45.100 0.082 0.000 0.632 523 G HN 0.513 nan 8.290 nan 0.000 0.529 524 V N 0.681 120.653 119.914 0.097 0.000 2.332 524 V HA -0.158 3.963 4.120 0.001 0.000 0.248 524 V C 2.283 178.523 176.094 0.242 0.000 1.055 524 V CA 2.840 65.224 62.300 0.139 0.000 1.038 524 V CB -0.732 31.154 31.823 0.106 0.000 0.651 524 V HN 0.623 nan 8.190 nan 0.000 0.450 525 F N 2.092 122.045 119.950 0.006 0.000 2.075 525 F HA -0.055 4.473 4.527 0.001 0.000 0.297 525 F C 2.216 178.093 175.800 0.129 0.000 1.113 525 F CA 1.916 59.835 58.000 -0.135 0.000 1.218 525 F CB -1.147 37.612 39.000 -0.402 0.000 0.984 525 F HN 0.122 nan 8.300 nan 0.000 0.472 526 G N -0.600 108.047 108.800 -0.254 0.000 2.442 526 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 526 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 526 G C 0.961 175.763 174.900 -0.163 0.000 1.141 526 G CA 1.264 46.168 45.100 -0.327 0.000 0.763 526 G HN 0.460 nan 8.290 nan 0.000 0.554 527 D N -0.982 119.402 120.400 -0.027 0.000 2.360 527 D HA 0.224 4.865 4.640 0.001 0.000 0.210 527 D C 1.843 178.173 176.300 0.050 0.000 1.047 527 D CA 0.002 54.014 54.000 0.020 0.000 0.854 527 D CB 0.422 41.245 40.800 0.037 0.000 0.936 527 D HN 0.240 nan 8.370 nan 0.000 0.514 528 L N -0.120 121.167 121.223 0.108 0.000 2.858 528 L HA 0.226 4.567 4.340 0.001 0.000 0.251 528 L C 0.754 177.712 176.870 0.146 0.000 1.149 528 L CA 0.050 54.952 54.840 0.104 0.000 0.955 528 L CB 0.488 42.595 42.059 0.080 0.000 1.289 528 L HN -0.136 nan 8.230 nan 0.000 0.542 529 N N 0.083 118.890 118.700 0.178 0.000 2.389 529 N HA 0.065 4.806 4.740 0.001 0.000 0.237 529 N C -0.320 175.276 175.510 0.143 0.000 1.148 529 N CA 0.021 53.193 53.050 0.203 0.000 0.854 529 N CB 0.113 38.527 38.487 -0.122 0.000 1.115 529 N HN -0.102 nan 8.380 nan 0.000 0.492 530 V N 0.423 120.411 119.914 0.122 0.000 2.775 530 V HA 0.077 4.198 4.120 0.001 0.000 0.299 530 V C 0.769 177.007 176.094 0.239 0.000 1.062 530 V CA -0.277 62.104 62.300 0.134 0.000 1.063 530 V CB 1.708 33.568 31.823 0.061 0.000 0.994 530 V HN 0.466 nan 8.190 nan 0.000 0.483 531 W N 4.393 125.703 121.300 0.016 0.000 3.063 531 W HA 0.256 4.917 4.660 0.001 0.000 0.246 531 W C 0.757 177.281 176.519 0.009 0.000 1.145 531 W CA 0.173 57.527 57.345 0.015 0.000 1.510 531 W CB 0.772 30.251 29.460 0.031 0.000 0.904 531 W HN 0.742 nan 8.180 nan 0.000 0.679 532 R N 0.000 120.604 120.500 0.174 0.000 2.786 532 R HA 0.000 4.341 4.340 0.001 0.000 0.208 532 R CA 0.000 56.144 56.100 0.074 0.000 0.921 532 R CB 0.000 30.354 30.300 0.089 0.000 0.687 532 R HN 0.000 nan 8.270 nan 0.000 0.535