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 3cik_1_A DATA FIRST_RESID 29 DATA SEQUENCE SKKILLPEPS IRSVMQKYLE DRGEVTFEKI FSQKLGYLLF RDFCLNHLEE DATA SEQUENCE ARPLVEFYEE IKKYEKLETE EERVARSREI FDSYIMKELL ACSHPFSKSA DATA SEQUENCE TEHVQGHLGK KQVPPDLFQP YIEEICQNLR GDVFQKFIES DKFTRFCQWK DATA SEQUENCE NVELNIHLTM NDFSVHRIIG RGGFGEVYGC RKADTGKMYA MKCLDKKRIK DATA SEQUENCE MKQGETLALN ERIMLSLVST GDCPFIVCMS YAFHTPDKLS FILDLMNGGD DATA SEQUENCE LHYHLSQHGV FSEADMRFYA AEIILGLEHM HNRFVVYRDL KPANILLDEH DATA SEQUENCE GHVRISDLGL ACDFSKKKPH ASVGTHGYMA PEVLQKGVAY DSSADWFSLG DATA SEQUENCE CMLFKLLRGH SPFRQHKTKD KHEIDRMTLT MAVELPDSFS PELRSLLEGL DATA SEQUENCE LQRDVNRRLG CLGRGAQEVK ESPFFRSLDW QMVFLQKYPP PLIPPRGXXX DATA SEQUENCE XXXXXXXXXX XXXXTKGIKL LDSDQELYRN FPLTISERWQ QEVAETVFDT DATA SEQUENCE INAETDRLEA RKKAKNKQLG HEEDYALGKD CIMHGYMSKM XXXXXTQWQR DATA SEQUENCE RYFYLFPNRL EWRGEGEAPQ SLLTMEEIQS VEETQIKERK CLLLKIRGGK DATA SEQUENCE QFILQCDSDP ELVQWKKELR DAYREAQQLV QRVPKMKNKP R 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 29 S HA 0.000 nan 4.470 nan 0.000 0.327 29 S C 0.000 174.581 174.600 -0.031 0.000 1.055 29 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 29 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 30 K N 2.421 122.804 120.400 -0.028 0.000 2.442 30 K HA -0.002 4.317 4.320 -0.001 0.000 0.198 30 K C 0.916 177.498 176.600 -0.030 0.000 1.042 30 K CA 0.685 56.950 56.287 -0.036 0.000 0.958 30 K CB 0.015 32.495 32.500 -0.033 0.000 0.766 30 K HN 0.557 nan 8.250 nan 0.000 0.474 31 K N 0.719 121.111 120.400 -0.014 0.000 2.127 31 K HA 0.223 4.542 4.320 -0.001 0.000 0.240 31 K C -0.341 176.261 176.600 0.004 0.000 1.024 31 K CA -0.622 55.668 56.287 0.005 0.000 0.918 31 K CB 0.782 33.291 32.500 0.015 0.000 1.108 31 K HN -0.172 nan 8.250 nan 0.000 0.485 32 I N 1.932 122.521 120.570 0.032 0.000 2.471 32 I HA 0.043 4.212 4.170 -0.001 0.000 0.286 32 I C -0.280 175.814 176.117 -0.038 0.000 1.079 32 I CA -0.618 60.695 61.300 0.023 0.000 1.398 32 I CB 0.621 38.681 38.000 0.099 0.000 1.403 32 I HN 0.451 nan 8.210 nan 0.000 0.530 33 L N 8.410 129.591 121.223 -0.069 0.000 2.287 33 L HA 0.506 4.845 4.340 -0.001 0.000 0.287 33 L C -0.594 176.181 176.870 -0.158 0.000 1.022 33 L CA -0.160 54.619 54.840 -0.103 0.000 0.814 33 L CB 1.024 43.036 42.059 -0.079 0.000 1.217 33 L HN 0.410 nan 8.230 nan 0.000 0.420 34 L N 6.586 127.668 121.223 -0.234 0.000 2.417 34 L HA 0.476 4.815 4.340 -0.001 0.000 0.268 34 L C -1.726 175.035 176.870 -0.181 0.000 1.158 34 L CA -1.765 52.895 54.840 -0.301 0.000 0.819 34 L CB 0.301 42.082 42.059 -0.463 0.000 1.112 34 L HN 0.561 nan 8.230 nan 0.000 0.458 35 P HA 0.126 nan 4.420 nan 0.000 0.274 35 P C -0.693 176.580 177.300 -0.045 0.000 1.237 35 P CA -0.500 62.557 63.100 -0.072 0.000 0.793 35 P CB 0.665 32.332 31.700 -0.055 0.000 0.977 36 E N 1.448 121.667 120.200 0.032 0.000 2.425 36 E HA -0.007 4.342 4.350 -0.001 0.000 0.258 36 E C -1.396 175.227 176.600 0.038 0.000 1.151 36 E CA -1.165 55.267 56.400 0.053 0.000 0.958 36 E CB -0.175 29.611 29.700 0.143 0.000 0.968 36 E HN 0.365 nan 8.360 nan 0.000 0.451 37 P HA -0.191 nan 4.420 nan 0.000 0.219 37 P C 1.060 178.386 177.300 0.043 0.000 1.146 37 P CA 1.274 64.380 63.100 0.011 0.000 0.808 37 P CB 0.048 31.754 31.700 0.010 0.000 0.779 38 S N -0.932 114.826 115.700 0.097 0.000 2.469 38 S HA -0.158 4.311 4.470 -0.001 0.000 0.238 38 S C 1.822 176.490 174.600 0.113 0.000 0.998 38 S CA 0.633 58.936 58.200 0.172 0.000 0.957 38 S CB -1.527 61.828 63.200 0.258 0.000 0.764 38 S HN -0.008 nan 8.310 nan 0.000 0.514 39 I N 2.591 123.199 120.570 0.064 0.000 2.530 39 I HA -0.106 4.063 4.170 -0.001 0.000 0.257 39 I C 2.547 178.627 176.117 -0.062 0.000 1.179 39 I CA 0.748 62.049 61.300 0.002 0.000 1.440 39 I CB -0.477 37.511 38.000 -0.019 0.000 1.087 39 I HN 0.305 nan 8.210 nan 0.000 0.440 40 R N -0.382 120.081 120.500 -0.061 0.000 2.096 40 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 40 R C 2.429 178.675 176.300 -0.090 0.000 1.127 40 R CA 1.632 57.676 56.100 -0.094 0.000 0.968 40 R CB -0.458 29.796 30.300 -0.077 0.000 0.861 40 R HN 0.435 nan 8.270 nan 0.000 0.440 41 S N -0.302 115.316 115.700 -0.137 0.000 2.374 41 S HA -0.119 4.350 4.470 -0.001 0.000 0.227 41 S C 1.797 176.240 174.600 -0.260 0.000 1.037 41 S CA 1.784 59.809 58.200 -0.290 0.000 1.024 41 S CB -0.097 62.647 63.200 -0.761 0.000 0.861 41 S HN 0.273 nan 8.310 nan 0.000 0.456 42 V N 1.392 121.168 119.914 -0.230 0.000 2.725 42 V HA 0.080 4.199 4.120 -0.001 0.000 0.247 42 V C 2.447 178.474 176.094 -0.111 0.000 1.058 42 V CA 1.045 63.207 62.300 -0.230 0.000 1.080 42 V CB -0.354 31.324 31.823 -0.242 0.000 0.713 42 V HN 0.456 nan 8.190 nan 0.000 0.465 43 M N -0.266 119.285 119.600 -0.081 0.000 2.236 43 M HA -0.093 4.386 4.480 -0.001 0.000 0.266 43 M C 2.182 178.538 176.300 0.093 0.000 1.070 43 M CA 1.441 56.730 55.300 -0.017 0.000 1.137 43 M CB -0.989 31.560 32.600 -0.084 0.000 1.378 43 M HN 0.432 nan 8.290 nan 0.000 0.426 44 Q N 0.862 120.707 119.800 0.076 0.000 2.050 44 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 44 Q C 1.937 178.023 176.000 0.144 0.000 0.980 44 Q CA 1.653 57.575 55.803 0.198 0.000 0.840 44 Q CB 0.131 29.002 28.738 0.221 0.000 0.898 44 Q HN 0.399 nan 8.270 nan 0.000 0.424 45 K N -0.453 119.981 120.400 0.057 0.000 2.063 45 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 45 K C 2.091 178.725 176.600 0.056 0.000 1.048 45 K CA 1.530 57.829 56.287 0.021 0.000 0.928 45 K CB -0.480 31.985 32.500 -0.059 0.000 0.713 45 K HN 0.325 nan 8.250 nan 0.000 0.442 46 Y N 2.112 122.388 120.300 -0.040 0.000 2.097 46 Y HA -0.245 4.304 4.550 -0.001 0.000 0.282 46 Y C 2.029 177.944 175.900 0.025 0.000 1.152 46 Y CA 1.535 59.621 58.100 -0.022 0.000 1.136 46 Y CB -0.338 38.101 38.460 -0.034 0.000 0.975 46 Y HN -0.081 nan 8.280 nan 0.000 0.498 47 L N -0.246 121.109 121.223 0.221 0.000 2.046 47 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 47 L C 2.572 179.492 176.870 0.082 0.000 1.077 47 L CA 1.387 56.330 54.840 0.172 0.000 0.747 47 L CB -0.645 41.608 42.059 0.324 0.000 0.896 47 L HN 0.198 nan 8.230 nan 0.000 0.432 48 E N 0.384 120.639 120.200 0.091 0.000 2.058 48 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 48 E C 1.808 178.405 176.600 -0.004 0.000 0.997 48 E CA 1.432 57.864 56.400 0.053 0.000 0.801 48 E CB -0.337 29.393 29.700 0.049 0.000 0.746 48 E HN 0.447 nan 8.360 nan 0.000 0.450 49 D N 0.060 120.432 120.400 -0.047 0.000 2.228 49 D HA -0.165 4.475 4.640 -0.001 0.000 0.203 49 D C 1.379 177.617 176.300 -0.104 0.000 0.988 49 D CA 0.929 54.878 54.000 -0.085 0.000 0.864 49 D CB -0.188 40.534 40.800 -0.129 0.000 0.928 49 D HN 0.075 nan 8.370 nan 0.000 0.469 50 R N -0.645 119.782 120.500 -0.122 0.000 2.427 50 R HA 0.275 4.614 4.340 -0.001 0.000 0.262 50 R C 0.938 177.223 176.300 -0.026 0.000 0.943 50 R CA 0.252 56.292 56.100 -0.099 0.000 1.081 50 R CB 0.535 30.741 30.300 -0.157 0.000 1.166 50 R HN 0.028 nan 8.270 nan 0.000 0.534 51 G N 1.918 110.717 108.800 -0.002 0.000 2.395 51 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.300 51 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.300 51 G C 0.244 175.178 174.900 0.057 0.000 0.998 51 G CA 0.517 45.634 45.100 0.029 0.000 1.046 51 G HN 0.505 nan 8.290 nan 0.000 0.513 52 E N -1.265 118.990 120.200 0.092 0.000 2.501 52 E HA 0.165 4.514 4.350 -0.001 0.000 0.201 52 E C 0.639 177.370 176.600 0.218 0.000 1.016 52 E CA -0.115 56.372 56.400 0.146 0.000 0.920 52 E CB 0.927 30.730 29.700 0.171 0.000 1.023 52 E HN 0.346 nan 8.360 nan 0.000 0.474 53 V N 2.622 122.659 119.914 0.205 0.000 2.154 53 V HA 0.117 4.236 4.120 -0.001 0.000 0.265 53 V C 0.173 176.435 176.094 0.280 0.000 1.293 53 V CA -0.065 62.388 62.300 0.254 0.000 1.205 53 V CB -0.135 31.791 31.823 0.171 0.000 1.306 53 V HN 0.185 nan 8.190 nan 0.000 0.479 54 T N -2.047 112.631 114.554 0.206 0.000 2.900 54 T HA 0.475 4.824 4.350 -0.001 0.000 0.295 54 T C 0.517 174.963 174.700 -0.425 0.000 1.044 54 T CA -0.551 61.551 62.100 0.003 0.000 0.995 54 T CB 1.858 70.704 68.868 -0.037 0.000 1.072 54 T HN 0.078 nan 8.240 nan 0.000 0.473 55 F N 1.901 121.043 119.950 -1.346 0.000 2.115 55 F HA -0.140 4.387 4.527 -0.001 0.000 0.300 55 F C 1.986 177.425 175.800 -0.602 0.000 1.092 55 F CA 2.102 59.233 58.000 -1.448 0.000 1.245 55 F CB -0.271 37.974 39.000 -1.257 0.000 0.995 55 F HN 0.744 nan 8.300 nan 0.000 0.481 56 E N 0.335 120.302 120.200 -0.389 0.000 2.047 56 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 56 E C 2.165 178.631 176.600 -0.224 0.000 0.987 56 E CA 1.404 57.644 56.400 -0.268 0.000 0.799 56 E CB -0.217 29.433 29.700 -0.083 0.000 0.752 56 E HN 0.242 nan 8.360 nan 0.000 0.449 57 K N 0.072 120.385 120.400 -0.144 0.000 2.097 57 K HA -0.023 4.297 4.320 -0.001 0.000 0.205 57 K C 2.217 178.795 176.600 -0.037 0.000 1.050 57 K CA 0.858 57.120 56.287 -0.041 0.000 0.938 57 K CB -0.134 32.388 32.500 0.038 0.000 0.718 57 K HN 0.221 nan 8.250 nan 0.000 0.442 58 I N -0.286 120.211 120.570 -0.122 0.000 2.339 58 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 58 I C 2.185 178.148 176.117 -0.257 0.000 1.096 58 I CA 0.547 61.734 61.300 -0.189 0.000 1.408 58 I CB -0.169 37.708 38.000 -0.205 0.000 1.092 58 I HN -0.076 nan 8.210 nan 0.000 0.423 59 F N 1.782 121.350 119.950 -0.637 0.000 2.216 59 F HA -0.242 4.284 4.527 -0.001 0.000 0.300 59 F C 2.662 178.275 175.800 -0.311 0.000 1.085 59 F CA 1.662 59.267 58.000 -0.657 0.000 1.326 59 F CB -0.149 38.049 39.000 -1.337 0.000 1.027 59 F HN 0.093 nan 8.300 nan 0.000 0.497 60 S N -1.124 114.474 115.700 -0.170 0.000 2.562 60 S HA 0.058 4.528 4.470 -0.001 0.000 0.221 60 S C 0.671 175.211 174.600 -0.100 0.000 0.975 60 S CA -0.313 57.809 58.200 -0.129 0.000 0.918 60 S CB -0.472 62.698 63.200 -0.051 0.000 0.772 60 S HN 0.447 nan 8.310 nan 0.000 0.531 61 Q N 0.932 120.698 119.800 -0.056 0.000 2.259 61 Q HA 0.370 4.709 4.340 -0.001 0.000 0.249 61 Q C 0.739 176.739 176.000 0.000 0.000 0.914 61 Q CA -0.594 55.227 55.803 0.030 0.000 0.904 61 Q CB 1.413 30.261 28.738 0.185 0.000 1.213 61 Q HN 0.135 nan 8.270 nan 0.000 0.428 62 K N 2.452 122.838 120.400 -0.023 0.000 1.991 62 K HA -0.146 4.173 4.320 -0.001 0.000 0.212 62 K C 1.475 178.027 176.600 -0.080 0.000 1.049 62 K CA 1.719 57.958 56.287 -0.080 0.000 0.932 62 K CB -0.198 32.220 32.500 -0.137 0.000 0.717 62 K HN 0.653 nan 8.250 nan 0.000 0.441 63 L N -0.372 120.778 121.223 -0.121 0.000 2.201 63 L HA -0.023 4.316 4.340 -0.001 0.000 0.212 63 L C 2.414 179.418 176.870 0.224 0.000 1.105 63 L CA 1.171 55.891 54.840 -0.201 0.000 0.775 63 L CB -0.800 41.066 42.059 -0.323 0.000 0.913 63 L HN 0.464 nan 8.230 nan 0.000 0.440 64 G N -0.747 108.253 108.800 0.333 0.000 2.402 64 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.216 64 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.216 64 G C 1.473 176.387 174.900 0.023 0.000 1.162 64 G CA 0.540 45.704 45.100 0.107 0.000 0.777 64 G HN 0.319 nan 8.290 nan 0.000 0.539 65 Y N 1.166 121.374 120.300 -0.152 0.000 2.133 65 Y HA -0.000 4.549 4.550 -0.001 0.000 0.287 65 Y C 2.608 178.499 175.900 -0.014 0.000 1.134 65 Y CA 1.316 59.268 58.100 -0.247 0.000 1.133 65 Y CB -0.333 37.865 38.460 -0.437 0.000 0.987 65 Y HN 0.087 nan 8.280 nan 0.000 0.502 66 L N -0.372 120.866 121.223 0.025 0.000 2.081 66 L HA -0.282 4.058 4.340 -0.001 0.000 0.212 66 L C 2.409 179.374 176.870 0.159 0.000 1.080 66 L CA 1.460 56.340 54.840 0.066 0.000 0.754 66 L CB -0.659 41.497 42.059 0.161 0.000 0.893 66 L HN 0.324 nan 8.230 nan 0.000 0.433 67 L N -1.792 119.600 121.223 0.281 0.000 2.109 67 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 67 L C 2.448 179.539 176.870 0.368 0.000 1.086 67 L CA 1.049 56.131 54.840 0.404 0.000 0.760 67 L CB -0.445 41.967 42.059 0.588 0.000 0.910 67 L HN 0.134 nan 8.230 nan 0.000 0.437 68 F N 1.365 121.296 119.950 -0.031 0.000 2.186 68 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 68 F C 2.819 178.595 175.800 -0.040 0.000 1.090 68 F CA 1.394 59.241 58.000 -0.256 0.000 1.307 68 F CB -0.032 38.677 39.000 -0.485 0.000 1.019 68 F HN -0.017 nan 8.300 nan 0.000 0.489 69 R N -0.145 120.265 120.500 -0.150 0.000 2.115 69 R HA -0.140 4.199 4.340 -0.001 0.000 0.226 69 R C 1.841 178.109 176.300 -0.054 0.000 1.100 69 R CA 1.615 57.604 56.100 -0.186 0.000 0.980 69 R CB -1.050 29.053 30.300 -0.328 0.000 0.875 69 R HN 0.232 nan 8.270 nan 0.000 0.445 70 D N 0.646 121.076 120.400 0.051 0.000 2.097 70 D HA -0.216 4.423 4.640 -0.001 0.000 0.195 70 D C 1.618 178.031 176.300 0.188 0.000 0.989 70 D CA 1.085 55.164 54.000 0.131 0.000 0.827 70 D CB -0.219 40.706 40.800 0.209 0.000 0.966 70 D HN 0.277 nan 8.370 nan 0.000 0.456 71 F N 0.759 120.772 119.950 0.106 0.000 2.095 71 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 71 F C 2.421 178.226 175.800 0.009 0.000 1.104 71 F CA 1.639 59.728 58.000 0.148 0.000 1.232 71 F CB -0.577 38.529 39.000 0.177 0.000 0.987 71 F HN 0.094 nan 8.300 nan 0.000 0.475 72 C N 0.545 119.741 119.300 -0.174 0.000 2.476 72 C HA -0.072 4.387 4.460 -0.001 0.000 0.278 72 C C 2.801 177.676 174.990 -0.192 0.000 1.274 72 C CA 0.851 59.708 59.018 -0.268 0.000 1.713 72 C CB -1.350 26.249 27.740 -0.234 0.000 2.039 72 C HN 0.512 nan 8.230 nan 0.000 0.484 73 L N 1.037 122.189 121.223 -0.118 0.000 2.217 73 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 73 L C 1.871 178.652 176.870 -0.149 0.000 1.107 73 L CA 1.240 56.030 54.840 -0.085 0.000 0.783 73 L CB -0.448 41.593 42.059 -0.030 0.000 0.919 73 L HN 0.513 nan 8.230 nan 0.000 0.442 74 N N -2.482 116.077 118.700 -0.235 0.000 2.210 74 N HA 0.058 4.797 4.740 -0.001 0.000 0.203 74 N C 0.963 176.030 175.510 -0.739 0.000 1.175 74 N CA 0.294 53.078 53.050 -0.444 0.000 0.894 74 N CB 0.693 38.888 38.487 -0.487 0.000 1.041 74 N HN 0.365 nan 8.380 nan 0.000 0.506 75 H N -0.732 118.171 119.070 -0.278 0.000 3.771 75 H HA 0.264 4.819 4.556 -0.001 0.000 0.260 75 H C -0.560 174.490 175.328 -0.463 0.000 1.158 75 H CA -0.153 55.696 56.048 -0.332 0.000 1.170 75 H CB 1.704 31.286 29.762 -0.301 0.000 1.539 75 H HN -0.048 nan 8.280 nan 0.000 0.634 76 L N 2.336 123.278 121.223 -0.468 0.000 2.388 76 L HA 0.227 4.566 4.340 -0.001 0.000 0.267 76 L C 1.136 177.894 176.870 -0.186 0.000 0.995 76 L CA -0.214 54.426 54.840 -0.333 0.000 0.864 76 L CB 2.017 43.825 42.059 -0.419 0.000 1.216 76 L HN -0.171 nan 8.230 nan 0.000 0.430 77 E N 1.863 121.993 120.200 -0.117 0.000 2.153 77 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 77 E C 1.467 178.036 176.600 -0.052 0.000 0.988 77 E CA 1.803 58.151 56.400 -0.086 0.000 0.811 77 E CB 0.247 29.906 29.700 -0.068 0.000 0.746 77 E HN 0.728 nan 8.360 nan 0.000 0.466 78 E N -0.741 119.448 120.200 -0.019 0.000 2.418 78 E HA -0.060 4.289 4.350 -0.001 0.000 0.197 78 E C 1.358 178.016 176.600 0.097 0.000 1.026 78 E CA 0.894 57.322 56.400 0.047 0.000 0.862 78 E CB 0.172 29.919 29.700 0.077 0.000 0.799 78 E HN 0.247 nan 8.360 nan 0.000 0.518 79 A N 1.196 124.040 122.820 0.040 0.000 2.229 79 A HA 0.151 4.470 4.320 -0.001 0.000 0.211 79 A C 2.109 179.725 177.584 0.054 0.000 1.193 79 A CA 0.141 52.219 52.037 0.069 0.000 0.879 79 A CB -0.200 18.826 19.000 0.044 0.000 0.911 79 A HN 0.108 nan 8.150 nan 0.000 0.492 80 R N 0.650 121.152 120.500 0.003 0.000 2.143 80 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 80 R C -0.783 175.570 176.300 0.090 0.000 1.126 80 R CA 2.604 58.715 56.100 0.018 0.000 0.927 80 R CB -1.134 29.154 30.300 -0.020 0.000 0.860 80 R HN 0.401 nan 8.270 nan 0.000 0.433 81 P HA -0.152 nan 4.420 nan 0.000 0.220 81 P C 1.390 178.813 177.300 0.204 0.000 1.148 81 P CA 1.335 64.518 63.100 0.138 0.000 0.803 81 P CB -0.145 31.550 31.700 -0.009 0.000 0.782 82 L N -0.640 120.698 121.223 0.191 0.000 1.994 82 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 82 L C 2.674 179.743 176.870 0.331 0.000 1.071 82 L CA 1.482 56.482 54.840 0.266 0.000 0.745 82 L CB -1.216 40.977 42.059 0.224 0.000 0.892 82 L HN -0.151 nan 8.230 nan 0.000 0.431 83 V N -0.295 119.780 119.914 0.268 0.000 2.407 83 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 83 V C 2.338 178.610 176.094 0.298 0.000 1.055 83 V CA 1.612 64.090 62.300 0.297 0.000 1.049 83 V CB -0.566 31.372 31.823 0.192 0.000 0.662 83 V HN 0.448 nan 8.190 nan 0.000 0.455 84 E N -0.421 119.921 120.200 0.236 0.000 2.031 84 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 84 E C 2.102 178.730 176.600 0.046 0.000 0.994 84 E CA 1.623 58.133 56.400 0.183 0.000 0.800 84 E CB -0.259 29.634 29.700 0.323 0.000 0.752 84 E HN 0.547 nan 8.360 nan 0.000 0.447 85 F N 0.721 120.587 119.950 -0.139 0.000 2.134 85 F HA -0.247 4.279 4.527 -0.001 0.000 0.299 85 F C 2.219 177.996 175.800 -0.038 0.000 1.097 85 F CA 1.374 59.231 58.000 -0.238 0.000 1.264 85 F CB -0.663 38.294 39.000 -0.073 0.000 1.001 85 F HN 0.046 nan 8.300 nan 0.000 0.479 86 Y N 1.174 121.514 120.300 0.067 0.000 2.102 86 Y HA -0.301 4.248 4.550 -0.001 0.000 0.280 86 Y C 2.389 178.288 175.900 -0.002 0.000 1.178 86 Y CA 2.502 60.638 58.100 0.059 0.000 1.146 86 Y CB -0.519 38.097 38.460 0.259 0.000 0.968 86 Y HN 0.202 nan 8.280 nan 0.000 0.504 87 E N -0.705 119.621 120.200 0.208 0.000 2.208 87 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 87 E C 1.960 178.526 176.600 -0.056 0.000 0.988 87 E CA 0.990 57.462 56.400 0.120 0.000 0.828 87 E CB -0.035 29.788 29.700 0.205 0.000 0.763 87 E HN 0.482 nan 8.360 nan 0.000 0.478 88 E N 1.044 121.143 120.200 -0.167 0.000 2.072 88 E HA -0.108 4.241 4.350 -0.001 0.000 0.190 88 E C 1.807 178.230 176.600 -0.296 0.000 0.982 88 E CA 0.714 56.970 56.400 -0.239 0.000 0.803 88 E CB -0.013 29.465 29.700 -0.370 0.000 0.755 88 E HN 0.195 nan 8.360 nan 0.000 0.453 89 I N 0.498 120.787 120.570 -0.469 0.000 2.361 89 I HA -0.255 3.914 4.170 -0.001 0.000 0.251 89 I C 2.050 178.063 176.117 -0.175 0.000 1.133 89 I CA 0.817 61.863 61.300 -0.423 0.000 1.413 89 I CB -0.156 37.529 38.000 -0.525 0.000 1.073 89 I HN 0.029 nan 8.210 nan 0.000 0.424 90 K N 1.194 121.461 120.400 -0.221 0.000 2.025 90 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 90 K C 1.992 178.564 176.600 -0.047 0.000 1.049 90 K CA 1.259 57.460 56.287 -0.144 0.000 0.933 90 K CB -0.399 31.999 32.500 -0.170 0.000 0.714 90 K HN 0.321 nan 8.250 nan 0.000 0.438 91 K N 0.077 120.458 120.400 -0.031 0.000 2.089 91 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 91 K C 2.233 178.851 176.600 0.030 0.000 1.048 91 K CA 1.873 58.160 56.287 0.000 0.000 0.926 91 K CB -0.430 32.075 32.500 0.008 0.000 0.714 91 K HN 0.175 nan 8.250 nan 0.000 0.448 92 Y N 2.119 122.381 120.300 -0.063 0.000 2.181 92 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 92 Y C 1.871 177.773 175.900 0.003 0.000 1.146 92 Y CA 1.582 59.678 58.100 -0.006 0.000 1.164 92 Y CB 0.036 38.516 38.460 0.033 0.000 0.982 92 Y HN 0.103 nan 8.280 nan 0.000 0.515 93 E N 0.067 120.341 120.200 0.124 0.000 2.160 93 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 93 E C 1.715 178.269 176.600 -0.078 0.000 0.991 93 E CA 1.434 57.850 56.400 0.027 0.000 0.810 93 E CB -0.084 29.632 29.700 0.026 0.000 0.742 93 E HN 0.461 nan 8.360 nan 0.000 0.466 94 K N 0.139 120.494 120.400 -0.075 0.000 2.444 94 K HA 0.118 4.437 4.320 -0.001 0.000 0.193 94 K C 0.047 176.592 176.600 -0.091 0.000 1.024 94 K CA -0.133 56.112 56.287 -0.070 0.000 1.077 94 K CB 0.298 32.772 32.500 -0.043 0.000 0.833 94 K HN 0.025 nan 8.250 nan 0.000 0.517 95 L N 1.519 122.652 121.223 -0.150 0.000 2.410 95 L HA 0.002 4.341 4.340 -0.001 0.000 0.273 95 L C 1.247 178.040 176.870 -0.129 0.000 1.152 95 L CA 0.032 54.784 54.840 -0.147 0.000 0.855 95 L CB 0.737 42.669 42.059 -0.212 0.000 1.129 95 L HN 0.162 nan 8.230 nan 0.000 0.463 96 E N 0.864 121.012 120.200 -0.086 0.000 2.072 96 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 96 E C 0.274 176.836 176.600 -0.063 0.000 0.985 96 E CA 1.334 57.695 56.400 -0.065 0.000 0.801 96 E CB 0.198 29.864 29.700 -0.056 0.000 0.750 96 E HN 0.790 nan 8.360 nan 0.000 0.452 97 T N -2.394 112.120 114.554 -0.066 0.000 2.924 97 T HA 0.245 4.594 4.350 -0.001 0.000 0.291 97 T C 0.603 175.269 174.700 -0.057 0.000 1.045 97 T CA -0.877 61.192 62.100 -0.051 0.000 1.015 97 T CB 2.112 70.958 68.868 -0.037 0.000 1.103 97 T HN -0.073 nan 8.240 nan 0.000 0.496 98 E N 0.089 120.266 120.200 -0.039 0.000 2.153 98 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 98 E C 1.387 177.976 176.600 -0.018 0.000 0.988 98 E CA 1.184 57.565 56.400 -0.031 0.000 0.811 98 E CB 0.081 29.771 29.700 -0.018 0.000 0.746 98 E HN 0.675 nan 8.360 nan 0.000 0.466 99 E N 0.696 120.887 120.200 -0.015 0.000 2.106 99 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 99 E C 1.769 178.370 176.600 0.001 0.000 0.984 99 E CA 1.147 57.546 56.400 -0.003 0.000 0.806 99 E CB -0.008 29.689 29.700 -0.004 0.000 0.750 99 E HN 0.343 nan 8.360 nan 0.000 0.458 100 E N -0.002 120.189 120.200 -0.016 0.000 2.072 100 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 100 E C 2.184 178.781 176.600 -0.005 0.000 0.985 100 E CA 0.790 57.181 56.400 -0.015 0.000 0.801 100 E CB -0.088 29.586 29.700 -0.042 0.000 0.750 100 E HN 0.112 nan 8.360 nan 0.000 0.452 101 R N 0.461 120.930 120.500 -0.050 0.000 2.092 101 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 101 R C 2.428 178.816 176.300 0.147 0.000 1.119 101 R CA 0.809 56.883 56.100 -0.042 0.000 0.970 101 R CB -0.249 29.937 30.300 -0.190 0.000 0.864 101 R HN 0.042 nan 8.270 nan 0.000 0.440 102 V N 1.096 121.061 119.914 0.085 0.000 2.332 102 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 102 V C 2.409 178.575 176.094 0.120 0.000 1.055 102 V CA 2.039 64.395 62.300 0.094 0.000 1.038 102 V CB -0.734 31.119 31.823 0.049 0.000 0.651 102 V HN 0.427 nan 8.190 nan 0.000 0.450 103 A N 0.060 122.943 122.820 0.105 0.000 1.835 103 A HA -0.210 4.109 4.320 -0.001 0.000 0.215 103 A C 2.365 180.049 177.584 0.166 0.000 1.199 103 A CA 1.740 53.843 52.037 0.110 0.000 0.615 103 A CB -0.574 18.474 19.000 0.079 0.000 0.838 103 A HN 0.413 nan 8.150 nan 0.000 0.444 104 R N -0.184 120.441 120.500 0.208 0.000 2.120 104 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 104 R C 2.569 179.101 176.300 0.387 0.000 1.123 104 R CA 1.269 57.543 56.100 0.290 0.000 0.975 104 R CB -0.930 29.585 30.300 0.358 0.000 0.866 104 R HN 0.629 nan 8.270 nan 0.000 0.446 105 S N 1.076 117.049 115.700 0.456 0.000 2.369 105 S HA -0.267 4.202 4.470 -0.001 0.000 0.225 105 S C 2.083 176.894 174.600 0.352 0.000 1.043 105 S CA 2.044 60.484 58.200 0.401 0.000 1.074 105 S CB -0.068 63.273 63.200 0.236 0.000 0.962 105 S HN 0.434 nan 8.310 nan 0.000 0.433 106 R N 0.487 121.136 120.500 0.249 0.000 2.062 106 R HA 0.068 4.407 4.340 -0.001 0.000 0.226 106 R C 2.378 178.836 176.300 0.263 0.000 1.125 106 R CA 1.671 57.917 56.100 0.244 0.000 0.966 106 R CB -0.650 29.749 30.300 0.165 0.000 0.861 106 R HN 0.574 nan 8.270 nan 0.000 0.433 107 E N 0.335 120.663 120.200 0.213 0.000 2.136 107 E HA -0.254 4.095 4.350 -0.001 0.000 0.202 107 E C 1.831 178.550 176.600 0.198 0.000 1.019 107 E CA 2.100 58.609 56.400 0.182 0.000 0.819 107 E CB -0.126 29.669 29.700 0.158 0.000 0.739 107 E HN 0.465 nan 8.360 nan 0.000 0.458 108 I N -0.365 120.333 120.570 0.213 0.000 2.202 108 I HA -0.214 3.956 4.170 -0.001 0.000 0.242 108 I C 1.699 177.978 176.117 0.270 0.000 1.091 108 I CA 0.508 61.904 61.300 0.159 0.000 1.368 108 I CB -0.077 37.850 38.000 -0.122 0.000 1.058 108 I HN 0.105 nan 8.210 nan 0.000 0.410 109 F N 1.540 121.615 119.950 0.209 0.000 2.738 109 F HA -0.109 4.417 4.527 -0.001 0.000 0.301 109 F C 0.966 176.856 175.800 0.149 0.000 1.269 109 F CA 0.855 58.987 58.000 0.221 0.000 1.441 109 F CB -0.521 38.625 39.000 0.245 0.000 1.101 109 F HN 0.125 nan 8.300 nan 0.000 0.545 110 D N -2.296 118.181 120.400 0.128 0.000 3.239 110 D HA 0.011 4.650 4.640 -0.001 0.000 0.265 110 D C 2.119 178.426 176.300 0.011 0.000 1.442 110 D CA 0.716 54.750 54.000 0.055 0.000 1.178 110 D CB -0.313 40.548 40.800 0.102 0.000 1.198 110 D HN 0.015 nan 8.370 nan 0.000 0.366 111 S N -0.872 114.872 115.700 0.074 0.000 2.335 111 S HA -0.118 4.351 4.470 -0.001 0.000 0.216 111 S C 1.886 176.447 174.600 -0.065 0.000 1.032 111 S CA 1.131 59.338 58.200 0.011 0.000 1.000 111 S CB -0.405 62.819 63.200 0.040 0.000 0.928 111 S HN 0.208 nan 8.310 nan 0.000 0.434 112 Y N 1.129 121.369 120.300 -0.100 0.000 2.263 112 Y HA 0.138 4.687 4.550 -0.001 0.000 0.292 112 Y C 2.344 178.034 175.900 -0.351 0.000 1.130 112 Y CA 0.332 58.310 58.100 -0.203 0.000 1.179 112 Y CB -0.327 38.016 38.460 -0.195 0.000 0.998 112 Y HN 0.239 nan 8.280 nan 0.000 0.532 113 I N -0.101 120.355 120.570 -0.191 0.000 2.264 113 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 113 I C 1.889 177.839 176.117 -0.280 0.000 1.111 113 I CA 1.687 62.776 61.300 -0.352 0.000 1.382 113 I CB -0.531 37.210 38.000 -0.432 0.000 1.060 113 I HN 0.312 nan 8.210 nan 0.000 0.418 114 M N -0.254 119.218 119.600 -0.214 0.000 2.254 114 M HA -0.159 4.320 4.480 -0.001 0.000 0.265 114 M C 2.137 178.343 176.300 -0.156 0.000 1.066 114 M CA 1.134 56.334 55.300 -0.168 0.000 1.123 114 M CB -1.083 31.441 32.600 -0.126 0.000 1.388 114 M HN 0.205 nan 8.290 nan 0.000 0.425 115 K N 0.742 121.036 120.400 -0.177 0.000 2.057 115 K HA -0.139 4.180 4.320 -0.001 0.000 0.206 115 K C 1.747 178.222 176.600 -0.209 0.000 1.050 115 K CA 1.169 57.343 56.287 -0.188 0.000 0.935 115 K CB 0.149 32.520 32.500 -0.214 0.000 0.715 115 K HN 0.160 nan 8.250 nan 0.000 0.439 116 E N 0.811 120.868 120.200 -0.239 0.000 2.072 116 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 116 E C 2.072 178.564 176.600 -0.182 0.000 0.985 116 E CA 1.110 57.352 56.400 -0.262 0.000 0.801 116 E CB -0.049 29.451 29.700 -0.334 0.000 0.750 116 E HN 0.409 nan 8.360 nan 0.000 0.452 117 L N 0.018 121.160 121.223 -0.135 0.000 2.418 117 L HA 0.001 4.341 4.340 -0.001 0.000 0.218 117 L C 2.193 179.027 176.870 -0.061 0.000 1.125 117 L CA 0.268 55.066 54.840 -0.070 0.000 0.835 117 L CB -0.031 42.000 42.059 -0.047 0.000 0.953 117 L HN 0.006 nan 8.230 nan 0.000 0.454 118 L N -0.353 120.821 121.223 -0.083 0.000 2.554 118 L HA 0.260 4.599 4.340 -0.001 0.000 0.225 118 L C 1.158 177.986 176.870 -0.070 0.000 1.104 118 L CA -0.352 54.448 54.840 -0.067 0.000 0.866 118 L CB 0.067 42.083 42.059 -0.071 0.000 1.047 118 L HN 0.078 nan 8.230 nan 0.000 0.468 119 A N -0.025 122.739 122.820 -0.093 0.000 2.362 119 A HA 0.251 4.570 4.320 -0.001 0.000 0.276 119 A C 0.190 177.773 177.584 -0.002 0.000 1.153 119 A CA -0.592 51.394 52.037 -0.085 0.000 0.813 119 A CB 0.163 19.032 19.000 -0.218 0.000 1.081 119 A HN 0.336 nan 8.150 nan 0.000 0.507 120 C N 2.835 122.143 119.300 0.014 0.000 2.727 120 C HA 0.408 4.867 4.460 -0.001 0.000 0.401 120 C C 1.853 176.871 174.990 0.048 0.000 1.294 120 C CA 1.165 60.196 59.018 0.021 0.000 2.134 120 C CB 0.120 27.865 27.740 0.008 0.000 2.724 120 C HN 1.839 nan 8.230 nan 0.000 0.677 121 S N 0.674 116.362 115.700 -0.020 0.000 2.723 121 S HA -0.245 4.224 4.470 -0.001 0.000 0.261 121 S C 0.984 175.457 174.600 -0.211 0.000 1.294 121 S CA 1.789 59.929 58.200 -0.099 0.000 1.467 121 S CB -1.743 61.391 63.200 -0.110 0.000 1.849 121 S HN 0.986 nan 8.310 nan 0.000 0.672 122 H N 0.684 119.664 119.070 -0.150 0.000 2.586 122 H HA 0.233 4.789 4.556 -0.001 0.000 0.273 122 H C -2.179 172.956 175.328 -0.321 0.000 0.997 122 H CA 0.227 56.127 56.048 -0.245 0.000 1.177 122 H CB -0.046 29.576 29.762 -0.232 0.000 1.471 122 H HN 0.511 nan 8.280 nan 0.000 0.538 123 P HA -0.047 nan 4.420 nan 0.000 0.271 123 P C -0.025 177.196 177.300 -0.132 0.000 1.216 123 P CA 0.291 63.333 63.100 -0.097 0.000 0.776 123 P CB 0.478 32.171 31.700 -0.013 0.000 0.881 124 F N 0.627 120.587 119.950 0.016 0.000 2.444 124 F HA 0.078 4.604 4.527 -0.001 0.000 0.331 124 F C 1.869 177.732 175.800 0.106 0.000 1.167 124 F CA 0.122 58.172 58.000 0.083 0.000 1.262 124 F CB 0.324 39.414 39.000 0.151 0.000 1.196 124 F HN 0.296 nan 8.300 nan 0.000 0.583 125 S N 1.368 117.268 115.700 0.332 0.000 2.576 125 S HA 0.069 4.538 4.470 -0.001 0.000 0.272 125 S C 0.940 175.671 174.600 0.218 0.000 1.352 125 S CA -0.414 57.911 58.200 0.209 0.000 1.021 125 S CB 0.959 64.255 63.200 0.160 0.000 0.887 125 S HN 0.799 nan 8.310 nan 0.000 0.542 126 K N 0.868 121.360 120.400 0.153 0.000 2.103 126 K HA -0.071 4.249 4.320 -0.001 0.000 0.204 126 K C 2.186 178.864 176.600 0.129 0.000 1.052 126 K CA 1.370 57.743 56.287 0.142 0.000 0.945 126 K CB -0.794 31.769 32.500 0.105 0.000 0.722 126 K HN 0.488 nan 8.250 nan 0.000 0.443 127 S N 0.882 116.646 115.700 0.107 0.000 2.372 127 S HA -0.225 4.244 4.470 -0.001 0.000 0.227 127 S C 2.171 176.822 174.600 0.085 0.000 1.044 127 S CA 1.526 59.778 58.200 0.087 0.000 1.050 127 S CB -0.531 62.707 63.200 0.064 0.000 0.901 127 S HN 0.548 nan 8.310 nan 0.000 0.447 128 A N 0.127 123.003 122.820 0.093 0.000 1.898 128 A HA -0.007 4.312 4.320 -0.001 0.000 0.216 128 A C 2.403 180.005 177.584 0.030 0.000 1.181 128 A CA 2.119 54.179 52.037 0.037 0.000 0.620 128 A CB -1.475 17.608 19.000 0.139 0.000 0.819 128 A HN 0.595 nan 8.150 nan 0.000 0.442 129 T N -0.504 114.156 114.554 0.176 0.000 2.639 129 T HA -0.154 4.195 4.350 -0.001 0.000 0.261 129 T C 1.867 176.633 174.700 0.111 0.000 1.053 129 T CA 1.574 63.807 62.100 0.221 0.000 1.158 129 T CB -0.358 68.698 68.868 0.314 0.000 0.863 129 T HN 0.705 nan 8.240 nan 0.000 0.413 130 E N 0.446 120.712 120.200 0.110 0.000 2.113 130 E HA -0.348 4.001 4.350 -0.001 0.000 0.210 130 E C 2.080 178.701 176.600 0.036 0.000 1.040 130 E CA 1.814 58.255 56.400 0.069 0.000 0.847 130 E CB -0.296 29.448 29.700 0.074 0.000 0.755 130 E HN 0.580 nan 8.360 nan 0.000 0.459 131 H N -0.218 118.815 119.070 -0.062 0.000 2.289 131 H HA -0.153 4.402 4.556 -0.001 0.000 0.294 131 H C 2.221 177.396 175.328 -0.254 0.000 1.095 131 H CA 2.101 58.079 56.048 -0.118 0.000 1.256 131 H CB -0.238 29.428 29.762 -0.159 0.000 1.359 131 H HN 0.186 nan 8.280 nan 0.000 0.487 132 V N 0.775 120.569 119.914 -0.201 0.000 2.343 132 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 132 V C 2.658 178.569 176.094 -0.306 0.000 1.051 132 V CA 2.133 64.199 62.300 -0.390 0.000 1.036 132 V CB -0.523 31.045 31.823 -0.426 0.000 0.654 132 V HN 0.394 nan 8.190 nan 0.000 0.451 133 Q N -0.302 119.380 119.800 -0.198 0.000 2.167 133 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 133 Q C 2.216 178.144 176.000 -0.120 0.000 0.970 133 Q CA 1.571 57.255 55.803 -0.198 0.000 0.855 133 Q CB -0.452 28.223 28.738 -0.107 0.000 0.911 133 Q HN 0.695 nan 8.270 nan 0.000 0.438 134 G N -0.936 107.826 108.800 -0.063 0.000 2.422 134 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 134 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 134 G C 0.719 175.619 174.900 0.000 0.000 1.146 134 G CA 1.023 46.108 45.100 -0.026 0.000 0.769 134 G HN 0.365 nan 8.290 nan 0.000 0.547 135 H N -0.304 118.630 119.070 -0.228 0.000 2.294 135 H HA 0.132 4.687 4.556 -0.001 0.000 0.306 135 H C 2.396 177.610 175.328 -0.189 0.000 1.065 135 H CA 0.861 56.784 56.048 -0.208 0.000 1.343 135 H CB -0.868 28.751 29.762 -0.237 0.000 1.396 135 H HN 0.235 nan 8.280 nan 0.000 0.506 136 L N 0.306 121.474 121.223 -0.092 0.000 2.013 136 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 136 L C 2.352 179.150 176.870 -0.120 0.000 1.073 136 L CA 1.924 56.668 54.840 -0.160 0.000 0.753 136 L CB -0.706 41.169 42.059 -0.306 0.000 0.890 136 L HN 0.423 nan 8.230 nan 0.000 0.432 137 G N -1.035 107.694 108.800 -0.118 0.000 2.509 137 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 137 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 137 G C 1.323 176.186 174.900 -0.063 0.000 1.124 137 G CA 0.455 45.505 45.100 -0.083 0.000 0.776 137 G HN 0.389 nan 8.290 nan 0.000 0.547 138 K N 0.144 120.502 120.400 -0.070 0.000 2.493 138 K HA 0.227 4.547 4.320 -0.001 0.000 0.207 138 K C 0.517 177.081 176.600 -0.060 0.000 1.033 138 K CA -0.248 55.998 56.287 -0.068 0.000 1.161 138 K CB 0.274 32.718 32.500 -0.093 0.000 0.873 138 K HN 0.127 nan 8.250 nan 0.000 0.491 139 K N 0.317 120.686 120.400 -0.051 0.000 3.193 139 K HA -0.251 4.068 4.320 -0.001 0.000 0.294 139 K C -0.634 175.946 176.600 -0.034 0.000 1.185 139 K CA 0.907 57.173 56.287 -0.036 0.000 0.866 139 K CB -1.307 31.178 32.500 -0.025 0.000 1.227 139 K HN 0.353 nan 8.250 nan 0.000 0.467 140 Q N 0.706 120.478 119.800 -0.047 0.000 2.314 140 Q HA 0.268 4.608 4.340 -0.001 0.000 0.257 140 Q C 0.230 176.226 176.000 -0.007 0.000 0.975 140 Q CA -0.292 55.485 55.803 -0.043 0.000 0.933 140 Q CB 1.231 29.907 28.738 -0.105 0.000 1.195 140 Q HN 0.257 nan 8.270 nan 0.000 0.426 141 V N 0.560 120.481 119.914 0.012 0.000 2.562 141 V HA 0.402 4.521 4.120 -0.001 0.000 0.274 141 V C -2.423 173.720 176.094 0.082 0.000 1.075 141 V CA -1.934 60.400 62.300 0.055 0.000 1.204 141 V CB -0.288 31.587 31.823 0.087 0.000 1.478 141 V HN 0.564 nan 8.190 nan 0.000 0.622 142 P HA 0.285 nan 4.420 nan 0.000 0.273 142 P C -2.176 175.201 177.300 0.129 0.000 1.250 142 P CA -1.131 62.006 63.100 0.062 0.000 0.793 142 P CB 0.709 32.445 31.700 0.060 0.000 1.011 143 P HA -0.136 nan 4.420 nan 0.000 0.217 143 P C 0.910 178.333 177.300 0.205 0.000 1.150 143 P CA 1.525 64.697 63.100 0.120 0.000 0.832 143 P CB -0.255 31.450 31.700 0.007 0.000 0.787 144 D N -0.520 119.932 120.400 0.086 0.000 2.363 144 D HA -0.066 4.574 4.640 -0.001 0.000 0.226 144 D C 1.736 178.003 176.300 -0.055 0.000 1.020 144 D CA 0.021 54.039 54.000 0.030 0.000 0.892 144 D CB -0.668 40.140 40.800 0.012 0.000 0.900 144 D HN 0.042 nan 8.370 nan 0.000 0.531 145 L N 0.311 121.474 121.223 -0.099 0.000 2.034 145 L HA -0.211 4.128 4.340 -0.001 0.000 0.217 145 L C 1.318 177.826 176.870 -0.604 0.000 1.077 145 L CA 1.766 56.359 54.840 -0.411 0.000 0.769 145 L CB -0.976 40.738 42.059 -0.576 0.000 0.890 145 L HN -0.075 nan 8.230 nan 0.000 0.435 146 F N -0.874 118.890 119.950 -0.310 0.000 2.692 146 F HA 0.149 4.675 4.527 -0.001 0.000 0.303 146 F C 2.195 177.815 175.800 -0.299 0.000 1.114 146 F CA 0.398 58.172 58.000 -0.377 0.000 1.361 146 F CB -0.551 38.224 39.000 -0.374 0.000 1.063 146 F HN 0.240 nan 8.300 nan 0.000 0.550 147 Q N 1.865 121.599 119.800 -0.108 0.000 2.096 147 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 147 Q C -0.822 175.124 176.000 -0.090 0.000 0.982 147 Q CA 2.094 57.853 55.803 -0.073 0.000 0.850 147 Q CB -1.405 27.293 28.738 -0.068 0.000 0.901 147 Q HN 0.148 nan 8.270 nan 0.000 0.422 148 P HA -0.182 nan 4.420 nan 0.000 0.217 148 P C 0.523 177.809 177.300 -0.024 0.000 1.148 148 P CA 1.426 64.409 63.100 -0.195 0.000 0.828 148 P CB -0.248 31.236 31.700 -0.359 0.000 0.783 149 Y N -1.184 119.063 120.300 -0.088 0.000 2.181 149 Y HA -0.174 4.375 4.550 -0.001 0.000 0.288 149 Y C 2.392 178.379 175.900 0.145 0.000 1.146 149 Y CA -0.010 58.033 58.100 -0.094 0.000 1.164 149 Y CB -0.615 37.686 38.460 -0.266 0.000 0.982 149 Y HN -0.135 nan 8.280 nan 0.000 0.515 150 I N 0.799 121.507 120.570 0.230 0.000 2.151 150 I HA -0.329 3.841 4.170 -0.001 0.000 0.243 150 I C 2.103 178.369 176.117 0.248 0.000 1.080 150 I CA 1.781 63.224 61.300 0.237 0.000 1.339 150 I CB -1.130 36.943 38.000 0.121 0.000 1.039 150 I HN 0.368 nan 8.210 nan 0.000 0.409 151 E N 0.566 120.864 120.200 0.163 0.000 2.038 151 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 151 E C 2.127 178.807 176.600 0.133 0.000 1.000 151 E CA 1.546 58.016 56.400 0.116 0.000 0.803 151 E CB -0.099 29.635 29.700 0.057 0.000 0.750 151 E HN 0.507 nan 8.360 nan 0.000 0.448 152 E N 0.182 120.512 120.200 0.218 0.000 2.150 152 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 152 E C 2.105 178.834 176.600 0.216 0.000 0.985 152 E CA 0.605 57.150 56.400 0.241 0.000 0.814 152 E CB -0.033 29.915 29.700 0.414 0.000 0.752 152 E HN 0.305 nan 8.360 nan 0.000 0.466 153 I N 0.550 121.318 120.570 0.330 0.000 2.179 153 I HA -0.330 3.839 4.170 -0.001 0.000 0.242 153 I C 2.367 178.528 176.117 0.073 0.000 1.088 153 I CA 0.759 62.220 61.300 0.269 0.000 1.357 153 I CB -0.250 38.010 38.000 0.433 0.000 1.051 153 I HN 0.261 nan 8.210 nan 0.000 0.409 154 C N 0.130 119.456 119.300 0.043 0.000 2.429 154 C HA -0.182 4.277 4.460 -0.001 0.000 0.277 154 C C 2.853 177.651 174.990 -0.321 0.000 1.262 154 C CA 1.048 59.954 59.018 -0.188 0.000 1.733 154 C CB -0.987 26.717 27.740 -0.061 0.000 2.010 154 C HN 0.547 nan 8.230 nan 0.000 0.483 155 Q N 1.986 121.695 119.800 -0.151 0.000 2.096 155 Q HA -0.168 4.171 4.340 -0.001 0.000 0.204 155 Q C 1.392 177.273 176.000 -0.199 0.000 0.982 155 Q CA 2.089 57.794 55.803 -0.163 0.000 0.850 155 Q CB -0.756 27.942 28.738 -0.067 0.000 0.901 155 Q HN 0.763 nan 8.270 nan 0.000 0.422 156 N N -1.111 117.494 118.700 -0.157 0.000 2.463 156 N HA 0.113 4.853 4.740 -0.001 0.000 0.181 156 N C 0.965 176.384 175.510 -0.152 0.000 1.078 156 N CA 0.285 53.243 53.050 -0.153 0.000 0.902 156 N CB 0.217 38.610 38.487 -0.157 0.000 0.970 156 N HN 0.217 nan 8.380 nan 0.000 0.451 157 L N 0.493 121.568 121.223 -0.248 0.000 2.477 157 L HA 0.108 4.448 4.340 -0.001 0.000 0.220 157 L C 2.072 178.651 176.870 -0.485 0.000 1.106 157 L CA 0.300 55.007 54.840 -0.221 0.000 0.851 157 L CB 0.048 41.994 42.059 -0.188 0.000 0.994 157 L HN 0.233 nan 8.230 nan 0.000 0.462 158 R N -0.564 119.465 120.500 -0.785 0.000 2.300 158 R HA 0.155 4.495 4.340 -0.001 0.000 0.199 158 R C 1.380 177.526 176.300 -0.256 0.000 0.920 158 R CA 0.644 56.188 56.100 -0.927 0.000 1.046 158 R CB -0.090 29.564 30.300 -1.077 0.000 0.984 158 R HN 0.116 nan 8.270 nan 0.000 0.493 159 G N 1.104 109.832 108.800 -0.121 0.000 2.992 159 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.195 159 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.195 159 G C 0.125 175.077 174.900 0.087 0.000 2.032 159 G CA 0.268 45.367 45.100 -0.001 0.000 0.831 159 G HN 0.022 nan 8.290 nan 0.000 0.647 160 D N -0.174 120.259 120.400 0.055 0.000 2.103 160 D HA -0.137 4.502 4.640 -0.001 0.000 0.190 160 D C 2.746 179.130 176.300 0.140 0.000 0.997 160 D CA 1.203 55.249 54.000 0.076 0.000 0.833 160 D CB -0.643 40.186 40.800 0.047 0.000 0.961 160 D HN 0.016 nan 8.370 nan 0.000 0.447 161 V N 0.547 120.566 119.914 0.174 0.000 2.250 161 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 161 V C 2.201 178.540 176.094 0.408 0.000 1.060 161 V CA 1.864 64.343 62.300 0.297 0.000 1.030 161 V CB -0.630 31.369 31.823 0.293 0.000 0.643 161 V HN 0.171 nan 8.190 nan 0.000 0.445 162 F N 0.634 120.742 119.950 0.263 0.000 2.134 162 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 162 F C 2.513 178.435 175.800 0.203 0.000 1.097 162 F CA 1.742 59.938 58.000 0.327 0.000 1.264 162 F CB -0.365 38.747 39.000 0.187 0.000 1.001 162 F HN 0.121 nan 8.300 nan 0.000 0.479 163 Q N 0.623 120.432 119.800 0.016 0.000 2.224 163 Q HA -0.153 4.186 4.340 -0.001 0.000 0.203 163 Q C 2.141 178.047 176.000 -0.156 0.000 0.970 163 Q CA 1.340 57.054 55.803 -0.149 0.000 0.865 163 Q CB -0.337 28.391 28.738 -0.017 0.000 0.922 163 Q HN 0.498 nan 8.270 nan 0.000 0.445 164 K N -0.586 119.797 120.400 -0.029 0.000 2.116 164 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 164 K C 1.885 178.324 176.600 -0.268 0.000 1.052 164 K CA 0.475 56.768 56.287 0.010 0.000 0.952 164 K CB -0.163 32.492 32.500 0.259 0.000 0.729 164 K HN 0.074 nan 8.250 nan 0.000 0.446 165 F N 2.376 121.918 119.950 -0.679 0.000 2.065 165 F HA -0.268 4.259 4.527 -0.001 0.000 0.298 165 F C 1.804 177.221 175.800 -0.638 0.000 1.112 165 F CA 1.370 58.705 58.000 -1.109 0.000 1.212 165 F CB -0.164 38.515 39.000 -0.536 0.000 0.975 165 F HN -0.130 nan 8.300 nan 0.000 0.476 166 I N 0.891 120.965 120.570 -0.826 0.000 2.163 166 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 166 I C 2.314 178.126 176.117 -0.508 0.000 1.085 166 I CA 1.623 62.330 61.300 -0.988 0.000 1.347 166 I CB -1.531 35.880 38.000 -0.981 0.000 1.044 166 I HN 0.334 nan 8.210 nan 0.000 0.408 167 E N 0.695 120.692 120.200 -0.338 0.000 2.204 167 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 167 E C 1.241 177.774 176.600 -0.112 0.000 0.990 167 E CA 0.777 57.084 56.400 -0.155 0.000 0.821 167 E CB -0.044 29.601 29.700 -0.091 0.000 0.750 167 E HN 0.509 nan 8.360 nan 0.000 0.477 168 S N 1.330 116.909 115.700 -0.202 0.000 2.624 168 S HA -0.010 4.459 4.470 -0.001 0.000 0.263 168 S C 0.746 175.291 174.600 -0.091 0.000 1.287 168 S CA -0.163 57.975 58.200 -0.104 0.000 0.990 168 S CB 1.248 64.401 63.200 -0.077 0.000 0.950 168 S HN 0.100 nan 8.310 nan 0.000 0.561 169 D N 0.428 120.810 120.400 -0.029 0.000 2.312 169 D HA -0.032 4.607 4.640 -0.001 0.000 0.211 169 D C 1.307 177.613 176.300 0.009 0.000 0.964 169 D CA 0.613 54.604 54.000 -0.015 0.000 0.877 169 D CB -0.054 40.737 40.800 -0.014 0.000 0.924 169 D HN 0.396 nan 8.370 nan 0.000 0.515 170 K N -0.272 120.147 120.400 0.031 0.000 2.283 170 K HA -0.059 4.260 4.320 -0.001 0.000 0.202 170 K C 1.537 178.193 176.600 0.093 0.000 1.048 170 K CA 0.406 56.783 56.287 0.150 0.000 0.948 170 K CB -0.504 32.206 32.500 0.350 0.000 0.742 170 K HN 0.321 nan 8.250 nan 0.000 0.458 171 F N 2.180 121.884 119.950 -0.411 0.000 2.270 171 F HA -0.088 4.438 4.527 -0.001 0.000 0.295 171 F C 1.939 177.730 175.800 -0.014 0.000 1.087 171 F CA 1.106 58.877 58.000 -0.382 0.000 1.365 171 F CB -0.413 38.128 39.000 -0.765 0.000 1.056 171 F HN -0.095 nan 8.300 nan 0.000 0.506 172 T N 0.775 115.233 114.554 -0.161 0.000 2.665 172 T HA -0.288 4.061 4.350 -0.001 0.000 0.268 172 T C 1.985 176.627 174.700 -0.096 0.000 1.035 172 T CA 1.927 63.925 62.100 -0.170 0.000 1.151 172 T CB -0.370 68.464 68.868 -0.057 0.000 0.862 172 T HN 0.085 nan 8.240 nan 0.000 0.438 173 R N 0.605 121.128 120.500 0.039 0.000 2.115 173 R HA 0.068 4.407 4.340 -0.001 0.000 0.230 173 R C 1.932 178.434 176.300 0.336 0.000 1.111 173 R CA 1.139 57.338 56.100 0.164 0.000 0.976 173 R CB -1.147 29.297 30.300 0.240 0.000 0.870 173 R HN 0.509 nan 8.270 nan 0.000 0.445 174 F N -0.365 119.690 119.950 0.174 0.000 2.134 174 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 174 F C 2.040 177.906 175.800 0.111 0.000 1.097 174 F CA 1.677 59.831 58.000 0.257 0.000 1.264 174 F CB -0.350 38.835 39.000 0.308 0.000 1.001 174 F HN 0.050 nan 8.300 nan 0.000 0.479 175 C N 0.513 119.704 119.300 -0.182 0.000 2.413 175 C HA -0.201 4.258 4.460 -0.001 0.000 0.277 175 C C 2.687 177.576 174.990 -0.169 0.000 1.265 175 C CA 1.241 60.097 59.018 -0.269 0.000 1.752 175 C CB -1.344 26.174 27.740 -0.371 0.000 1.998 175 C HN 0.561 nan 8.230 nan 0.000 0.489 176 Q N -1.139 118.591 119.800 -0.118 0.000 2.084 176 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 176 Q C 2.065 177.970 176.000 -0.158 0.000 0.978 176 Q CA 1.933 57.642 55.803 -0.156 0.000 0.844 176 Q CB -0.199 28.416 28.738 -0.204 0.000 0.898 176 Q HN 0.820 nan 8.270 nan 0.000 0.426 177 W N 0.661 121.947 121.300 -0.022 0.000 2.418 177 W HA -0.120 4.539 4.660 -0.001 0.000 0.292 177 W C 2.360 178.872 176.519 -0.011 0.000 1.213 177 W CA 0.587 57.981 57.345 0.081 0.000 1.283 177 W CB 0.126 29.696 29.460 0.184 0.000 1.119 177 W HN 0.015 nan 8.180 nan 0.000 0.542 178 K N 0.743 121.138 120.400 -0.008 0.000 2.097 178 K HA -0.185 4.134 4.320 -0.001 0.000 0.206 178 K C 1.763 178.280 176.600 -0.137 0.000 1.049 178 K CA 1.448 57.638 56.287 -0.161 0.000 0.933 178 K CB -0.714 31.572 32.500 -0.357 0.000 0.717 178 K HN 0.038 nan 8.250 nan 0.000 0.442 179 N N -0.039 118.580 118.700 -0.137 0.000 2.188 179 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 179 N C 1.515 176.929 175.510 -0.161 0.000 1.018 179 N CA 1.366 54.315 53.050 -0.169 0.000 0.858 179 N CB 0.121 38.516 38.487 -0.153 0.000 0.989 179 N HN 0.012 nan 8.380 nan 0.000 0.426 180 V N 1.634 121.488 119.914 -0.101 0.000 2.295 180 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 180 V C 2.473 178.398 176.094 -0.281 0.000 1.049 180 V CA 1.960 64.206 62.300 -0.090 0.000 1.024 180 V CB -0.734 31.140 31.823 0.085 0.000 0.648 180 V HN 0.419 nan 8.190 nan 0.000 0.447 181 E N 0.210 120.147 120.200 -0.438 0.000 2.049 181 E HA -0.247 4.102 4.350 -0.001 0.000 0.198 181 E C 1.874 178.142 176.600 -0.554 0.000 1.007 181 E CA 1.642 57.502 56.400 -0.900 0.000 0.809 181 E CB -0.189 29.144 29.700 -0.613 0.000 0.749 181 E HN 0.578 nan 8.360 nan 0.000 0.450 182 L N 0.676 121.693 121.223 -0.344 0.000 2.675 182 L HA 0.036 4.375 4.340 -0.001 0.000 0.239 182 L C 1.105 177.809 176.870 -0.277 0.000 1.151 182 L CA 0.048 54.729 54.840 -0.265 0.000 0.905 182 L CB -0.078 41.850 42.059 -0.219 0.000 1.057 182 L HN 0.105 nan 8.230 nan 0.000 0.435 183 N N -0.048 118.465 118.700 -0.312 0.000 2.365 183 N HA 0.232 4.971 4.740 -0.001 0.000 0.257 183 N C -0.071 175.189 175.510 -0.416 0.000 1.287 183 N CA -0.192 52.682 53.050 -0.292 0.000 0.882 183 N CB 0.437 38.833 38.487 -0.151 0.000 1.250 183 N HN 0.075 nan 8.380 nan 0.000 0.507 184 I N 1.502 121.778 120.570 -0.491 0.000 2.505 184 I HA 0.038 4.207 4.170 -0.001 0.000 0.287 184 I C -0.357 175.407 176.117 -0.589 0.000 1.104 184 I CA 0.215 61.256 61.300 -0.432 0.000 1.387 184 I CB 0.143 37.924 38.000 -0.366 0.000 1.404 184 I HN 0.210 nan 8.210 nan 0.000 0.528 185 H N 6.419 125.403 119.070 -0.143 0.000 2.866 185 H HA 0.435 4.991 4.556 -0.001 0.000 0.287 185 H C -0.656 174.553 175.328 -0.197 0.000 1.106 185 H CA -0.548 55.427 56.048 -0.121 0.000 1.396 185 H CB 0.872 30.578 29.762 -0.094 0.000 1.469 185 H HN 0.425 nan 8.280 nan 0.000 0.500 186 L N 2.907 124.010 121.223 -0.200 0.000 2.395 186 L HA 0.464 4.803 4.340 -0.001 0.000 0.269 186 L C 0.402 176.965 176.870 -0.513 0.000 1.133 186 L CA -0.203 54.319 54.840 -0.530 0.000 0.812 186 L CB 1.022 42.517 42.059 -0.941 0.000 1.125 186 L HN 0.674 nan 8.230 nan 0.000 0.452 187 T N -1.798 112.485 114.554 -0.451 0.000 2.841 187 T HA 0.321 4.670 4.350 -0.001 0.000 0.296 187 T C 0.794 175.527 174.700 0.055 0.000 1.166 187 T CA -0.963 61.081 62.100 -0.094 0.000 1.007 187 T CB 1.366 70.223 68.868 -0.019 0.000 1.253 187 T HN 0.293 nan 8.240 nan 0.000 0.511 188 M N 1.081 120.839 119.600 0.263 0.000 2.267 188 M HA -0.070 4.410 4.480 -0.001 0.000 0.263 188 M C 1.789 178.171 176.300 0.137 0.000 1.063 188 M CA 1.134 56.590 55.300 0.260 0.000 1.090 188 M CB -1.715 30.970 32.600 0.141 0.000 1.392 188 M HN 0.611 nan 8.290 nan 0.000 0.422 189 N N 1.076 119.800 118.700 0.039 0.000 2.272 189 N HA -0.145 4.595 4.740 -0.001 0.000 0.185 189 N C 0.762 176.216 175.510 -0.093 0.000 1.014 189 N CA 1.052 54.088 53.050 -0.024 0.000 0.870 189 N CB -0.202 38.258 38.487 -0.045 0.000 0.975 189 N HN 0.376 nan 8.380 nan 0.000 0.433 190 D N -0.953 119.331 120.400 -0.192 0.000 2.349 190 D HA 0.030 4.669 4.640 -0.001 0.000 0.224 190 D C -0.399 175.491 176.300 -0.684 0.000 1.029 190 D CA 0.388 54.113 54.000 -0.460 0.000 0.879 190 D CB 0.060 40.455 40.800 -0.676 0.000 0.906 190 D HN 0.129 nan 8.370 nan 0.000 0.528 191 F N -0.159 119.745 119.950 -0.077 0.000 2.556 191 F HA 0.248 4.774 4.527 -0.001 0.000 0.314 191 F C 0.343 176.102 175.800 -0.068 0.000 1.106 191 F CA -1.074 56.898 58.000 -0.047 0.000 0.911 191 F CB 2.038 41.032 39.000 -0.009 0.000 1.190 191 F HN -0.443 nan 8.300 nan 0.000 0.448 192 S N 2.827 118.576 115.700 0.081 0.000 2.404 192 S HA 0.552 5.021 4.470 -0.001 0.000 0.309 192 S C -0.725 173.721 174.600 -0.256 0.000 1.076 192 S CA -0.553 57.613 58.200 -0.057 0.000 1.095 192 S CB -0.069 63.109 63.200 -0.037 0.000 0.972 192 S HN 0.372 nan 8.310 nan 0.000 0.484 193 V N 6.829 126.643 119.914 -0.166 0.000 2.583 193 V HA 0.276 4.396 4.120 -0.001 0.000 0.287 193 V C 0.875 176.895 176.094 -0.124 0.000 1.051 193 V CA -0.260 61.929 62.300 -0.184 0.000 1.010 193 V CB 0.883 32.578 31.823 -0.214 0.000 0.988 193 V HN 0.870 nan 8.190 nan 0.000 0.478 194 H N 4.264 123.397 119.070 0.105 0.000 2.430 194 H HA 0.312 4.868 4.556 -0.001 0.000 0.297 194 H C 0.754 176.152 175.328 0.117 0.000 1.016 194 H CA 0.645 56.752 56.048 0.099 0.000 1.294 194 H CB 0.649 30.468 29.762 0.096 0.000 1.465 194 H HN 0.738 nan 8.280 nan 0.000 0.547 195 R N -0.378 120.297 120.500 0.293 0.000 2.709 195 R HA 0.385 4.725 4.340 -0.001 0.000 0.270 195 R C -1.437 174.997 176.300 0.225 0.000 1.038 195 R CA -0.704 55.534 56.100 0.230 0.000 0.872 195 R CB 0.807 31.198 30.300 0.153 0.000 1.259 195 R HN -0.153 nan 8.270 nan 0.000 0.473 196 I N 2.438 123.082 120.570 0.124 0.000 2.696 196 I HA 0.171 4.341 4.170 -0.001 0.000 0.284 196 I C 1.078 177.166 176.117 -0.049 0.000 1.129 196 I CA -0.160 61.099 61.300 -0.069 0.000 1.410 196 I CB 0.760 38.688 38.000 -0.121 0.000 1.399 196 I HN 0.714 nan 8.210 nan 0.000 0.579 197 I N 1.164 121.673 120.570 -0.101 0.000 3.554 197 I HA 0.572 4.741 4.170 -0.001 0.000 0.321 197 I C 0.080 176.144 176.117 -0.089 0.000 1.484 197 I CA -0.305 60.957 61.300 -0.065 0.000 0.975 197 I CB 0.706 38.697 38.000 -0.014 0.000 1.528 197 I HN 0.662 nan 8.210 nan 0.000 0.609 198 G N 1.870 110.596 108.800 -0.124 0.000 2.348 198 G HA2 0.109 4.068 3.960 -0.001 0.000 0.196 198 G HA3 0.109 4.068 3.960 -0.001 0.000 0.196 198 G C -0.794 174.033 174.900 -0.122 0.000 2.862 198 G CA -1.004 44.031 45.100 -0.108 0.000 0.802 198 G HN 0.226 nan 8.290 nan 0.000 0.500 199 R N 0.989 121.423 120.500 -0.110 0.000 2.473 199 R HA 0.404 4.743 4.340 -0.001 0.000 0.315 199 R C 1.210 177.463 176.300 -0.080 0.000 0.972 199 R CA 1.302 57.345 56.100 -0.095 0.000 1.047 199 R CB 0.789 31.047 30.300 -0.069 0.000 0.932 199 R HN 0.567 nan 8.270 nan 0.000 0.411 200 G N 1.243 109.995 108.800 -0.081 0.000 3.119 200 G HA2 0.390 4.349 3.960 -0.001 0.000 0.206 200 G HA3 0.390 4.349 3.960 -0.001 0.000 0.206 200 G C 0.743 175.571 174.900 -0.119 0.000 1.313 200 G CA -0.208 44.838 45.100 -0.090 0.000 1.010 200 G HN 0.559 nan 8.290 nan 0.000 0.578 201 G N -0.354 108.322 108.800 -0.207 0.000 2.736 201 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.214 201 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.214 201 G C 1.137 175.866 174.900 -0.284 0.000 1.327 201 G CA 0.647 45.519 45.100 -0.381 0.000 0.818 201 G HN 0.390 nan 8.290 nan 0.000 0.611 202 F N 1.612 121.570 119.950 0.012 0.000 2.811 202 F HA 0.419 4.946 4.527 -0.001 0.000 0.301 202 F C 1.467 177.266 175.800 -0.001 0.000 1.151 202 F CA 0.053 58.057 58.000 0.008 0.000 1.412 202 F CB 0.368 39.377 39.000 0.015 0.000 1.113 202 F HN 0.525 nan 8.300 nan 0.000 0.579 203 G N -0.058 108.806 108.800 0.107 0.000 2.335 203 G HA2 0.303 4.262 3.960 -0.001 0.000 0.291 203 G HA3 0.303 4.262 3.960 -0.001 0.000 0.291 203 G C -1.758 173.139 174.900 -0.005 0.000 1.261 203 G CA -0.892 44.245 45.100 0.061 0.000 0.871 203 G HN -0.070 nan 8.290 nan 0.000 0.491 204 E N -0.712 119.463 120.200 -0.041 0.000 2.299 204 E HA 0.714 5.063 4.350 -0.001 0.000 0.260 204 E C -1.038 175.430 176.600 -0.220 0.000 0.944 204 E CA -0.990 55.299 56.400 -0.185 0.000 0.815 204 E CB 2.047 31.546 29.700 -0.336 0.000 1.252 204 E HN 0.603 nan 8.360 nan 0.000 0.418 205 V N 1.320 121.054 119.914 -0.300 0.000 2.495 205 V HA 0.385 4.505 4.120 -0.001 0.000 0.298 205 V C -1.109 174.816 176.094 -0.282 0.000 1.031 205 V CA -0.753 61.447 62.300 -0.166 0.000 0.871 205 V CB 0.450 32.236 31.823 -0.061 0.000 0.988 205 V HN 0.562 nan 8.190 nan 0.000 0.432 206 Y N 1.432 121.745 120.300 0.022 0.000 2.549 206 Y HA 0.758 5.307 4.550 -0.001 0.000 0.339 206 Y C 0.824 176.754 175.900 0.050 0.000 1.053 206 Y CA -0.744 57.375 58.100 0.031 0.000 1.105 206 Y CB 1.910 40.381 38.460 0.017 0.000 1.258 206 Y HN 0.711 nan 8.280 nan 0.000 0.478 207 G N 0.322 109.268 108.800 0.244 0.000 2.332 207 G HA2 0.537 4.496 3.960 -0.001 0.000 0.310 207 G HA3 0.537 4.496 3.960 -0.001 0.000 0.310 207 G C -0.730 174.286 174.900 0.194 0.000 1.123 207 G CA -0.369 44.858 45.100 0.210 0.000 0.873 207 G HN 1.001 nan 8.290 nan 0.000 0.460 208 C N 1.253 120.650 119.300 0.161 0.000 3.335 208 C HA 0.948 5.408 4.460 -0.001 0.000 0.356 208 C C -0.654 174.418 174.990 0.136 0.000 1.570 208 C CA -1.383 57.635 59.018 0.000 0.000 1.271 208 C CB 1.514 29.274 27.740 0.033 0.000 1.873 208 C HN 0.940 nan 8.230 nan 0.000 0.439 209 R N 0.835 121.404 120.500 0.115 0.000 2.564 209 R HA 0.531 4.870 4.340 -0.001 0.000 0.284 209 R C -1.224 175.257 176.300 0.301 0.000 1.031 209 R CA -0.334 55.908 56.100 0.237 0.000 0.904 209 R CB 1.504 31.936 30.300 0.219 0.000 1.199 209 R HN 0.916 nan 8.270 nan 0.000 0.443 210 K N 2.843 123.464 120.400 0.369 0.000 2.322 210 K HA 0.238 4.557 4.320 -0.001 0.000 0.283 210 K C 0.667 177.266 176.600 -0.002 0.000 1.042 210 K CA 0.431 56.786 56.287 0.113 0.000 0.958 210 K CB 1.323 33.951 32.500 0.215 0.000 0.984 210 K HN 0.737 nan 8.250 nan 0.000 0.473 211 A N 4.129 126.867 122.820 -0.137 0.000 1.872 211 A HA -0.157 4.162 4.320 -0.001 0.000 0.214 211 A C 1.548 179.107 177.584 -0.041 0.000 1.187 211 A CA 1.527 53.522 52.037 -0.070 0.000 0.614 211 A CB -0.492 18.446 19.000 -0.103 0.000 0.826 211 A HN 1.011 nan 8.150 nan 0.000 0.442 212 D N -0.483 119.874 120.400 -0.072 0.000 2.268 212 D HA -0.217 4.422 4.640 -0.001 0.000 0.189 212 D C 2.070 178.396 176.300 0.043 0.000 1.010 212 D CA 2.941 56.939 54.000 -0.004 0.000 0.862 212 D CB -0.258 40.553 40.800 0.019 0.000 0.943 212 D HN 0.624 nan 8.370 nan 0.000 0.451 213 T N -5.474 109.114 114.554 0.056 0.000 2.955 213 T HA 0.399 4.748 4.350 -0.001 0.000 0.251 213 T C 1.530 176.266 174.700 0.060 0.000 1.002 213 T CA 0.885 63.026 62.100 0.068 0.000 0.970 213 T CB 1.140 70.056 68.868 0.080 0.000 1.091 213 T HN 0.282 nan 8.240 nan 0.000 0.495 214 G N 1.607 110.450 108.800 0.071 0.000 2.143 214 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.249 214 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.249 214 G C -0.035 174.907 174.900 0.070 0.000 0.981 214 G CA 0.245 45.390 45.100 0.075 0.000 0.665 214 G HN 0.845 nan 8.290 nan 0.000 0.528 215 K N 1.209 121.654 120.400 0.075 0.000 2.379 215 K HA 0.517 4.836 4.320 -0.001 0.000 0.284 215 K C 1.236 177.796 176.600 -0.067 0.000 1.044 215 K CA -0.379 55.877 56.287 -0.052 0.000 0.974 215 K CB 0.152 32.574 32.500 -0.130 0.000 0.962 215 K HN 0.091 nan 8.250 nan 0.000 0.474 216 M N 4.503 124.029 119.600 -0.123 0.000 2.239 216 M HA 0.136 4.616 4.480 -0.001 0.000 0.348 216 M C -0.659 175.541 176.300 -0.167 0.000 1.239 216 M CA 0.644 55.921 55.300 -0.038 0.000 1.114 216 M CB -0.185 32.407 32.600 -0.014 0.000 1.641 216 M HN 0.618 nan 8.290 nan 0.000 0.453 217 Y N -0.572 119.822 120.300 0.156 0.000 2.624 217 Y HA 0.542 5.092 4.550 -0.001 0.000 0.334 217 Y C -0.350 175.617 175.900 0.113 0.000 1.155 217 Y CA -1.373 56.814 58.100 0.145 0.000 1.046 217 Y CB 1.686 40.268 38.460 0.203 0.000 1.316 217 Y HN 0.695 nan 8.280 nan 0.000 0.457 218 A N 2.737 125.744 122.820 0.312 0.000 2.309 218 A HA 0.654 4.974 4.320 -0.001 0.000 0.298 218 A C -0.824 176.841 177.584 0.135 0.000 1.165 218 A CA -0.522 51.629 52.037 0.188 0.000 0.821 218 A CB 0.608 19.695 19.000 0.144 0.000 1.102 218 A HN 0.737 nan 8.150 nan 0.000 0.500 219 M N 2.954 122.618 119.600 0.106 0.000 2.101 219 M HA 0.389 4.869 4.480 -0.001 0.000 0.340 219 M C -0.439 175.936 176.300 0.125 0.000 1.057 219 M CA -0.415 54.913 55.300 0.046 0.000 0.984 219 M CB 0.705 33.290 32.600 -0.025 0.000 1.560 219 M HN 0.655 nan 8.290 nan 0.000 0.435 220 K N 4.765 125.244 120.400 0.132 0.000 2.253 220 K HA 0.404 4.723 4.320 -0.001 0.000 0.277 220 K C -1.772 174.898 176.600 0.117 0.000 1.053 220 K CA -0.484 55.903 56.287 0.167 0.000 0.892 220 K CB 0.751 33.406 32.500 0.258 0.000 1.102 220 K HN 0.774 nan 8.250 nan 0.000 0.469 221 C N 5.594 124.954 119.300 0.101 0.000 2.319 221 C HA 0.495 4.954 4.460 -0.001 0.000 0.335 221 C C -0.572 174.450 174.990 0.053 0.000 1.274 221 C CA -0.798 58.243 59.018 0.037 0.000 1.806 221 C CB -0.307 27.506 27.740 0.121 0.000 2.329 221 C HN 0.735 nan 8.230 nan 0.000 0.524 222 L N 2.920 124.137 121.223 -0.009 0.000 2.343 222 L HA 0.332 4.672 4.340 -0.001 0.000 0.278 222 L C -0.468 176.378 176.870 -0.041 0.000 0.996 222 L CA -0.295 54.575 54.840 0.050 0.000 0.831 222 L CB 1.333 43.453 42.059 0.102 0.000 1.232 222 L HN 0.609 nan 8.230 nan 0.000 0.413 223 D N 2.623 123.035 120.400 0.020 0.000 2.382 223 D HA 0.036 4.676 4.640 -0.001 0.000 0.259 223 D C 1.107 177.357 176.300 -0.083 0.000 1.224 223 D CA 0.183 54.167 54.000 -0.027 0.000 0.894 223 D CB 1.018 41.830 40.800 0.021 0.000 1.127 223 D HN 0.386 nan 8.370 nan 0.000 0.487 224 K N 2.578 122.893 120.400 -0.141 0.000 2.113 224 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 224 K C 1.592 178.141 176.600 -0.084 0.000 1.047 224 K CA 1.241 57.434 56.287 -0.157 0.000 0.928 224 K CB 0.100 32.498 32.500 -0.170 0.000 0.716 224 K HN 0.416 nan 8.250 nan 0.000 0.446 225 K N 0.467 120.835 120.400 -0.053 0.000 2.026 225 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 225 K C 2.190 178.773 176.600 -0.028 0.000 1.048 225 K CA 1.194 57.463 56.287 -0.029 0.000 0.929 225 K CB -0.092 32.400 32.500 -0.013 0.000 0.713 225 K HN 0.099 nan 8.250 nan 0.000 0.439 226 R N 0.753 121.246 120.500 -0.011 0.000 2.105 226 R HA -0.105 4.235 4.340 -0.001 0.000 0.239 226 R C 2.341 178.601 176.300 -0.067 0.000 1.135 226 R CA 1.340 57.458 56.100 0.030 0.000 0.967 226 R CB -0.490 29.889 30.300 0.130 0.000 0.861 226 R HN 0.240 nan 8.270 nan 0.000 0.442 227 I N 0.911 121.337 120.570 -0.240 0.000 2.208 227 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 227 I C 2.620 178.583 176.117 -0.256 0.000 1.097 227 I CA 1.378 62.368 61.300 -0.516 0.000 1.363 227 I CB -0.276 37.451 38.000 -0.455 0.000 1.051 227 I HN 0.177 nan 8.210 nan 0.000 0.413 228 K N 0.857 121.183 120.400 -0.124 0.000 2.155 228 K HA -0.160 4.159 4.320 -0.001 0.000 0.203 228 K C 2.247 178.822 176.600 -0.042 0.000 1.052 228 K CA 1.071 57.318 56.287 -0.066 0.000 0.948 228 K CB 0.039 32.518 32.500 -0.034 0.000 0.728 228 K HN 0.207 nan 8.250 nan 0.000 0.448 229 M N 0.464 120.048 119.600 -0.027 0.000 2.200 229 M HA -0.073 4.406 4.480 -0.001 0.000 0.265 229 M C 0.768 177.084 176.300 0.027 0.000 1.066 229 M CA 1.472 56.776 55.300 0.007 0.000 1.127 229 M CB 0.339 32.953 32.600 0.024 0.000 1.379 229 M HN -0.076 nan 8.290 nan 0.000 0.420 230 K N 0.569 120.995 120.400 0.044 0.000 2.446 230 K HA 0.102 4.422 4.320 -0.001 0.000 0.203 230 K C -0.222 176.415 176.600 0.062 0.000 1.027 230 K CA 0.033 56.379 56.287 0.098 0.000 1.166 230 K CB 0.128 32.782 32.500 0.256 0.000 0.869 230 K HN 0.465 nan 8.250 nan 0.000 0.504 231 Q N 0.001 119.801 119.800 0.000 0.000 2.416 231 Q HA -0.171 4.168 4.340 -0.001 0.000 0.319 231 Q C 0.453 176.439 176.000 -0.024 0.000 1.318 231 Q CA 0.439 56.232 55.803 -0.017 0.000 0.915 231 Q CB -1.559 27.184 28.738 0.009 0.000 1.184 231 Q HN 0.566 nan 8.270 nan 0.000 0.444 232 G N -0.458 108.262 108.800 -0.133 0.000 3.702 232 G HA2 0.235 4.195 3.960 -0.001 0.000 0.288 232 G HA3 0.235 4.195 3.960 -0.001 0.000 0.288 232 G C 0.534 175.269 174.900 -0.274 0.000 1.193 232 G CA -0.279 44.706 45.100 -0.191 0.000 0.952 232 G HN 0.262 nan 8.290 nan 0.000 0.544 233 E N -0.478 119.639 120.200 -0.138 0.000 2.158 233 E HA -0.029 4.320 4.350 -0.001 0.000 0.191 233 E C 2.423 179.020 176.600 -0.005 0.000 0.982 233 E CA 1.042 57.395 56.400 -0.079 0.000 0.823 233 E CB 0.006 29.649 29.700 -0.095 0.000 0.766 233 E HN 0.209 nan 8.360 nan 0.000 0.468 234 T N 1.107 115.668 114.554 0.013 0.000 2.857 234 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 234 T C 1.617 176.375 174.700 0.096 0.000 1.048 234 T CA 0.530 62.657 62.100 0.046 0.000 1.139 234 T CB -0.174 68.715 68.868 0.035 0.000 0.874 234 T HN 0.010 nan 8.240 nan 0.000 0.455 235 L N 1.634 122.935 121.223 0.130 0.000 2.046 235 L HA 0.068 4.408 4.340 -0.001 0.000 0.208 235 L C 2.591 179.604 176.870 0.239 0.000 1.077 235 L CA 1.817 56.773 54.840 0.193 0.000 0.747 235 L CB -1.186 41.056 42.059 0.305 0.000 0.896 235 L HN 0.231 nan 8.230 nan 0.000 0.432 236 A N -0.975 122.001 122.820 0.260 0.000 1.898 236 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 236 A C 2.257 180.080 177.584 0.399 0.000 1.181 236 A CA 1.753 53.993 52.037 0.339 0.000 0.620 236 A CB -0.714 18.422 19.000 0.227 0.000 0.819 236 A HN 0.475 nan 8.150 nan 0.000 0.442 237 L N -0.799 120.605 121.223 0.300 0.000 2.109 237 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 237 L C 2.431 179.435 176.870 0.223 0.000 1.086 237 L CA 1.445 56.467 54.840 0.304 0.000 0.760 237 L CB -0.515 41.656 42.059 0.187 0.000 0.910 237 L HN 0.466 nan 8.230 nan 0.000 0.437 238 N N 0.235 119.032 118.700 0.162 0.000 2.166 238 N HA -0.246 4.493 4.740 -0.001 0.000 0.186 238 N C 1.805 177.376 175.510 0.102 0.000 1.019 238 N CA 1.169 54.286 53.050 0.111 0.000 0.856 238 N CB 0.100 38.635 38.487 0.080 0.000 0.993 238 N HN 0.279 nan 8.380 nan 0.000 0.426 239 E N -0.097 120.179 120.200 0.126 0.000 2.077 239 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 239 E C 1.999 178.581 176.600 -0.029 0.000 0.989 239 E CA 0.664 57.076 56.400 0.020 0.000 0.800 239 E CB -0.034 29.664 29.700 -0.004 0.000 0.746 239 E HN 0.140 nan 8.360 nan 0.000 0.452 240 R N 1.014 121.636 120.500 0.203 0.000 2.082 240 R HA -0.157 4.182 4.340 -0.001 0.000 0.234 240 R C 2.180 178.522 176.300 0.070 0.000 1.136 240 R CA 1.543 57.785 56.100 0.237 0.000 0.935 240 R CB -0.802 29.673 30.300 0.292 0.000 0.842 240 R HN 0.314 nan 8.270 nan 0.000 0.430 241 I N 0.883 121.501 120.570 0.079 0.000 2.226 241 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 241 I C 2.371 178.509 176.117 0.036 0.000 1.100 241 I CA 1.053 62.382 61.300 0.048 0.000 1.374 241 I CB -0.857 37.176 38.000 0.056 0.000 1.057 241 I HN 0.152 nan 8.210 nan 0.000 0.413 242 M N 0.259 119.881 119.600 0.037 0.000 2.099 242 M HA -0.137 4.342 4.480 -0.001 0.000 0.262 242 M C 2.562 178.878 176.300 0.027 0.000 1.067 242 M CA 1.512 56.837 55.300 0.041 0.000 1.124 242 M CB -1.305 31.325 32.600 0.050 0.000 1.353 242 M HN 0.175 nan 8.290 nan 0.000 0.410 243 L N -0.378 120.832 121.223 -0.021 0.000 2.051 243 L HA -0.288 4.052 4.340 -0.001 0.000 0.214 243 L C 2.789 179.658 176.870 -0.002 0.000 1.076 243 L CA 1.559 56.374 54.840 -0.041 0.000 0.758 243 L CB -0.790 41.190 42.059 -0.132 0.000 0.890 243 L HN 0.365 nan 8.230 nan 0.000 0.433 244 S N -0.128 115.575 115.700 0.006 0.000 2.370 244 S HA -0.153 4.316 4.470 -0.001 0.000 0.226 244 S C 1.896 176.517 174.600 0.034 0.000 1.033 244 S CA 1.264 59.474 58.200 0.016 0.000 1.011 244 S CB -0.202 63.005 63.200 0.012 0.000 0.852 244 S HN 0.348 nan 8.310 nan 0.000 0.457 245 L N 0.486 121.735 121.223 0.044 0.000 2.376 245 L HA 0.084 4.424 4.340 -0.001 0.000 0.219 245 L C 1.920 178.841 176.870 0.084 0.000 1.133 245 L CA 0.446 55.321 54.840 0.057 0.000 0.816 245 L CB -0.079 42.015 42.059 0.059 0.000 0.933 245 L HN 0.244 nan 8.230 nan 0.000 0.449 246 V N -2.410 117.562 119.914 0.095 0.000 3.635 246 V HA 0.023 4.142 4.120 -0.001 0.000 0.266 246 V C 1.934 178.118 176.094 0.149 0.000 1.316 246 V CA 0.672 63.067 62.300 0.159 0.000 1.060 246 V CB 1.041 32.942 31.823 0.130 0.000 0.820 246 V HN 0.228 nan 8.190 nan 0.000 0.447 247 S N 0.561 116.305 115.700 0.073 0.000 2.607 247 S HA -0.000 4.469 4.470 -0.001 0.000 0.224 247 S C 1.075 175.707 174.600 0.053 0.000 0.969 247 S CA 0.608 58.826 58.200 0.029 0.000 0.927 247 S CB -0.287 62.915 63.200 0.002 0.000 0.772 247 S HN 0.810 nan 8.310 nan 0.000 0.533 248 T N -1.494 113.127 114.554 0.111 0.000 2.849 248 T HA 0.568 4.917 4.350 -0.001 0.000 0.284 248 T C 1.322 176.136 174.700 0.191 0.000 1.004 248 T CA 0.090 62.256 62.100 0.111 0.000 1.021 248 T CB 1.211 70.133 68.868 0.090 0.000 1.013 248 T HN 0.316 nan 8.240 nan 0.000 0.527 249 G N 0.592 109.477 108.800 0.142 0.000 2.199 249 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.254 249 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.254 249 G C 0.191 175.184 174.900 0.156 0.000 0.982 249 G CA 0.616 45.834 45.100 0.195 0.000 0.632 249 G HN 1.404 nan 8.290 nan 0.000 0.529 250 D N -1.371 119.062 120.400 0.055 0.000 2.746 250 D HA -0.187 4.453 4.640 -0.001 0.000 0.241 250 D C 0.517 176.765 176.300 -0.087 0.000 1.140 250 D CA 1.228 55.214 54.000 -0.023 0.000 0.707 250 D CB -1.503 39.295 40.800 -0.003 0.000 1.034 250 D HN 1.133 nan 8.370 nan 0.000 0.423 251 C N 2.053 121.220 119.300 -0.222 0.000 2.624 251 C HA 0.344 4.804 4.460 -0.001 0.000 0.397 251 C C -0.548 174.157 174.990 -0.475 0.000 1.331 251 C CA -1.272 57.523 59.018 -0.371 0.000 1.716 251 C CB 0.103 27.402 27.740 -0.735 0.000 2.452 251 C HN 0.373 nan 8.230 nan 0.000 0.586 252 P HA 0.015 nan 4.420 nan 0.000 0.226 252 P C 0.156 176.810 177.300 -1.077 0.000 1.153 252 P CA 1.281 63.747 63.100 -1.058 0.000 0.777 252 P CB -0.044 30.680 31.700 -1.627 0.000 0.794 253 F N -1.128 118.678 119.950 -0.240 0.000 2.735 253 F HA 0.377 4.903 4.527 -0.001 0.000 0.304 253 F C 0.655 176.352 175.800 -0.170 0.000 1.119 253 F CA -0.500 57.397 58.000 -0.172 0.000 1.280 253 F CB 0.017 38.924 39.000 -0.155 0.000 0.994 253 F HN -0.237 nan 8.300 nan 0.000 0.520 254 I N 0.143 120.643 120.570 -0.117 0.000 2.619 254 I HA 0.245 4.415 4.170 -0.001 0.000 0.292 254 I C -0.582 175.470 176.117 -0.108 0.000 1.100 254 I CA -1.212 60.015 61.300 -0.122 0.000 1.043 254 I CB 2.633 40.537 38.000 -0.161 0.000 1.239 254 I HN -0.404 nan 8.210 nan 0.000 0.420 255 V N 4.993 124.864 119.914 -0.070 0.000 2.377 255 V HA 0.002 4.121 4.120 -0.001 0.000 0.254 255 V C 0.271 176.339 176.094 -0.044 0.000 1.060 255 V CA 0.180 62.456 62.300 -0.041 0.000 1.068 255 V CB -0.480 31.333 31.823 -0.016 0.000 1.113 255 V HN 0.756 nan 8.190 nan 0.000 0.484 256 C N 5.432 124.706 119.300 -0.043 0.000 2.325 256 C HA 0.581 5.040 4.460 -0.001 0.000 0.370 256 C C 0.490 175.477 174.990 -0.005 0.000 1.217 256 C CA -0.788 58.206 59.018 -0.040 0.000 2.254 256 C CB 1.404 29.108 27.740 -0.061 0.000 2.282 256 C HN 0.834 nan 8.230 nan 0.000 0.564 257 M N 0.872 120.463 119.600 -0.014 0.000 2.423 257 M HA 0.260 4.739 4.480 -0.001 0.000 0.335 257 M C 0.507 176.786 176.300 -0.035 0.000 1.177 257 M CA 0.148 55.450 55.300 0.004 0.000 1.038 257 M CB 1.585 34.193 32.600 0.013 0.000 1.641 257 M HN 0.840 nan 8.290 nan 0.000 0.455 258 S N 1.772 117.408 115.700 -0.106 0.000 2.641 258 S HA 0.248 4.717 4.470 -0.001 0.000 0.239 258 S C -0.983 173.281 174.600 -0.560 0.000 1.081 258 S CA 0.111 58.084 58.200 -0.379 0.000 0.904 258 S CB 0.442 63.308 63.200 -0.557 0.000 0.803 258 S HN 0.693 nan 8.310 nan 0.000 0.510 259 Y N 0.260 120.599 120.300 0.065 0.000 2.576 259 Y HA 0.776 5.325 4.550 -0.001 0.000 0.346 259 Y C -0.336 175.660 175.900 0.159 0.000 1.018 259 Y CA -1.449 56.722 58.100 0.118 0.000 1.050 259 Y CB 1.428 39.990 38.460 0.170 0.000 1.280 259 Y HN 0.070 nan 8.280 nan 0.000 0.474 260 A N 2.493 125.496 122.820 0.305 0.000 2.374 260 A HA 0.889 5.209 4.320 -0.001 0.000 0.305 260 A C -1.386 176.382 177.584 0.306 0.000 1.053 260 A CA -0.583 51.535 52.037 0.135 0.000 0.726 260 A CB 0.568 19.448 19.000 -0.199 0.000 1.229 260 A HN 0.775 nan 8.150 nan 0.000 0.431 261 F N 0.177 120.207 119.950 0.133 0.000 2.789 261 F HA 0.892 5.418 4.527 -0.001 0.000 0.319 261 F C -0.742 175.273 175.800 0.359 0.000 1.168 261 F CA -0.939 57.226 58.000 0.275 0.000 0.934 261 F CB 1.192 40.304 39.000 0.187 0.000 1.375 261 F HN 0.846 nan 8.300 nan 0.000 0.480 262 H N -1.461 117.688 119.070 0.130 0.000 3.029 262 H HA 0.618 5.173 4.556 -0.001 0.000 0.358 262 H C -1.249 174.072 175.328 -0.011 0.000 1.129 262 H CA -0.607 55.347 56.048 -0.156 0.000 1.230 262 H CB 1.751 31.332 29.762 -0.303 0.000 1.827 262 H HN 0.946 nan 8.280 nan 0.000 0.530 263 T N -0.412 114.043 114.554 -0.165 0.000 2.884 263 T HA 0.302 4.651 4.350 -0.001 0.000 0.277 263 T C -1.704 172.882 174.700 -0.189 0.000 0.976 263 T CA -2.280 59.731 62.100 -0.149 0.000 0.956 263 T CB 1.218 70.052 68.868 -0.057 0.000 1.113 263 T HN 0.422 nan 8.240 nan 0.000 0.554 264 P HA -0.057 nan 4.420 nan 0.000 0.218 264 P C 0.461 177.709 177.300 -0.086 0.000 1.146 264 P CA 1.379 64.421 63.100 -0.097 0.000 0.813 264 P CB -0.079 31.583 31.700 -0.064 0.000 0.778 265 D N -4.326 116.016 120.400 -0.097 0.000 2.500 265 D HA 0.076 4.715 4.640 -0.001 0.000 0.217 265 D C 0.421 176.638 176.300 -0.137 0.000 1.159 265 D CA 0.141 54.084 54.000 -0.096 0.000 0.828 265 D CB 0.128 40.892 40.800 -0.060 0.000 1.039 265 D HN -0.046 nan 8.370 nan 0.000 0.512 266 K N 0.495 120.788 120.400 -0.179 0.000 2.395 266 K HA 0.545 4.864 4.320 -0.001 0.000 0.247 266 K C -0.761 175.621 176.600 -0.364 0.000 0.973 266 K CA -0.668 55.483 56.287 -0.228 0.000 0.828 266 K CB 2.731 35.124 32.500 -0.177 0.000 1.272 266 K HN 0.007 nan 8.250 nan 0.000 0.439 267 L N 0.844 121.804 121.223 -0.438 0.000 2.329 267 L HA 0.439 4.779 4.340 -0.001 0.000 0.279 267 L C -0.145 176.405 176.870 -0.533 0.000 1.014 267 L CA -0.656 53.820 54.840 -0.607 0.000 0.814 267 L CB 1.964 43.551 42.059 -0.787 0.000 1.257 267 L HN 0.432 nan 8.230 nan 0.000 0.424 268 S N 2.115 117.418 115.700 -0.662 0.000 2.561 268 S HA 0.658 5.127 4.470 -0.001 0.000 0.303 268 S C -0.911 173.333 174.600 -0.593 0.000 1.110 268 S CA -0.450 57.308 58.200 -0.737 0.000 1.034 268 S CB 0.855 63.214 63.200 -1.403 0.000 1.010 268 S HN 0.225 nan 8.310 nan 0.000 0.482 269 F N 3.091 123.000 119.950 -0.068 0.000 2.421 269 F HA 0.556 5.083 4.527 -0.001 0.000 0.337 269 F C 0.243 176.030 175.800 -0.022 0.000 1.105 269 F CA -1.081 56.921 58.000 0.003 0.000 1.049 269 F CB 0.881 39.900 39.000 0.032 0.000 1.139 269 F HN 0.278 nan 8.300 nan 0.000 0.479 270 I N 5.330 126.019 120.570 0.199 0.000 2.328 270 I HA 0.394 4.563 4.170 -0.001 0.000 0.287 270 I C -0.439 175.703 176.117 0.041 0.000 1.012 270 I CA -0.383 60.935 61.300 0.031 0.000 1.195 270 I CB 0.763 38.756 38.000 -0.012 0.000 1.350 270 I HN 0.460 nan 8.210 nan 0.000 0.464 271 L N 4.176 125.463 121.223 0.106 0.000 2.301 271 L HA 0.522 4.861 4.340 -0.001 0.000 0.264 271 L C 0.201 177.226 176.870 0.259 0.000 1.016 271 L CA -1.114 53.810 54.840 0.140 0.000 0.821 271 L CB 1.430 43.547 42.059 0.096 0.000 1.346 271 L HN 0.385 nan 8.230 nan 0.000 0.429 272 D N 1.462 121.977 120.400 0.192 0.000 2.563 272 D HA 0.049 4.688 4.640 -0.001 0.000 0.229 272 D C -0.499 175.879 176.300 0.130 0.000 1.159 272 D CA 0.336 54.426 54.000 0.149 0.000 0.869 272 D CB 0.983 41.811 40.800 0.047 0.000 1.203 272 D HN 0.049 nan 8.370 nan 0.000 0.478 273 L N 3.348 124.630 121.223 0.099 0.000 2.287 273 L HA 0.300 4.639 4.340 -0.001 0.000 0.287 273 L C -0.892 176.011 176.870 0.055 0.000 1.022 273 L CA -0.274 54.620 54.840 0.091 0.000 0.814 273 L CB 0.991 43.102 42.059 0.087 0.000 1.217 273 L HN 0.206 nan 8.230 nan 0.000 0.420 274 M N 5.058 124.692 119.600 0.056 0.000 2.022 274 M HA 0.342 4.822 4.480 -0.001 0.000 0.298 274 M C 0.284 176.612 176.300 0.047 0.000 0.909 274 M CA -0.207 55.122 55.300 0.049 0.000 0.914 274 M CB 1.224 33.855 32.600 0.052 0.000 1.486 274 M HN 0.496 nan 8.290 nan 0.000 0.415 275 N N 1.393 120.117 118.700 0.040 0.000 2.494 275 N HA 0.012 4.752 4.740 -0.001 0.000 0.182 275 N C 1.516 177.053 175.510 0.045 0.000 1.076 275 N CA 0.627 53.698 53.050 0.035 0.000 0.908 275 N CB 0.392 38.892 38.487 0.022 0.000 0.967 275 N HN 0.839 nan 8.380 nan 0.000 0.449 276 G N -0.433 108.414 108.800 0.078 0.000 3.042 276 G HA2 0.379 4.338 3.960 -0.001 0.000 0.212 276 G HA3 0.379 4.338 3.960 -0.001 0.000 0.212 276 G C 0.681 175.728 174.900 0.245 0.000 1.166 276 G CA 0.300 45.490 45.100 0.150 0.000 0.767 276 G HN 0.473 nan 8.290 nan 0.000 0.546 277 G N 0.472 109.325 108.800 0.089 0.000 2.814 277 G HA2 0.041 4.000 3.960 -0.001 0.000 0.677 277 G HA3 0.041 4.000 3.960 -0.001 0.000 0.677 277 G C -0.358 174.600 174.900 0.096 0.000 1.429 277 G CA -0.113 44.969 45.100 -0.030 0.000 0.868 277 G HN 0.815 nan 8.290 nan 0.000 0.553 278 D N -0.981 119.446 120.400 0.045 0.000 2.388 278 D HA 0.538 5.177 4.640 -0.001 0.000 0.254 278 D C 1.438 177.865 176.300 0.212 0.000 1.111 278 D CA -0.883 53.194 54.000 0.129 0.000 0.993 278 D CB 0.855 41.715 40.800 0.099 0.000 1.118 278 D HN 0.465 nan 8.370 nan 0.000 0.502 279 L N 0.082 121.399 121.223 0.157 0.000 2.291 279 L HA -0.099 4.240 4.340 -0.001 0.000 0.214 279 L C 1.933 178.898 176.870 0.159 0.000 1.120 279 L CA 1.540 56.446 54.840 0.111 0.000 0.799 279 L CB -1.178 40.821 42.059 -0.100 0.000 0.925 279 L HN 0.693 nan 8.230 nan 0.000 0.446 280 H N -1.774 117.352 119.070 0.093 0.000 2.326 280 H HA -0.257 4.299 4.556 -0.001 0.000 0.301 280 H C 2.112 177.503 175.328 0.104 0.000 1.081 280 H CA 2.129 58.236 56.048 0.097 0.000 1.334 280 H CB -0.198 29.610 29.762 0.077 0.000 1.385 280 H HN 0.466 nan 8.280 nan 0.000 0.504 281 Y N 1.264 121.472 120.300 -0.154 0.000 2.181 281 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 281 Y C 2.606 178.390 175.900 -0.194 0.000 1.146 281 Y CA 1.954 59.911 58.100 -0.239 0.000 1.164 281 Y CB -0.509 37.825 38.460 -0.209 0.000 0.982 281 Y HN 0.266 nan 8.280 nan 0.000 0.515 282 H N -0.405 118.664 119.070 -0.002 0.000 2.357 282 H HA -0.131 4.424 4.556 -0.001 0.000 0.301 282 H C 2.245 177.548 175.328 -0.042 0.000 1.082 282 H CA 1.553 57.575 56.048 -0.044 0.000 1.342 282 H CB -0.559 29.304 29.762 0.168 0.000 1.389 282 H HN 0.426 nan 8.280 nan 0.000 0.511 283 L N 0.451 121.766 121.223 0.153 0.000 2.081 283 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 283 L C 2.570 179.387 176.870 -0.089 0.000 1.080 283 L CA 1.598 56.494 54.840 0.093 0.000 0.754 283 L CB -0.827 41.326 42.059 0.158 0.000 0.893 283 L HN 0.053 nan 8.230 nan 0.000 0.433 284 S N -1.602 113.966 115.700 -0.220 0.000 2.368 284 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 284 S C 1.910 176.362 174.600 -0.247 0.000 1.030 284 S CA 1.193 59.233 58.200 -0.268 0.000 0.999 284 S CB -0.128 62.842 63.200 -0.384 0.000 0.844 284 S HN 0.594 nan 8.310 nan 0.000 0.459 285 Q N 0.179 119.788 119.800 -0.319 0.000 2.020 285 Q HA -0.093 4.247 4.340 -0.001 0.000 0.198 285 Q C 2.085 178.010 176.000 -0.125 0.000 0.974 285 Q CA 1.314 56.979 55.803 -0.229 0.000 0.829 285 Q CB -0.826 27.762 28.738 -0.250 0.000 0.894 285 Q HN 0.722 nan 8.270 nan 0.000 0.433 286 H N 0.158 119.108 119.070 -0.200 0.000 2.502 286 H HA 0.022 4.577 4.556 -0.001 0.000 0.283 286 H C 0.609 175.752 175.328 -0.309 0.000 1.015 286 H CA 1.302 57.201 56.048 -0.249 0.000 1.298 286 H CB 0.298 29.853 29.762 -0.346 0.000 1.411 286 H HN 0.286 nan 8.280 nan 0.000 0.556 287 G N 0.454 109.118 108.800 -0.226 0.000 2.693 287 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.226 287 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.226 287 G C 0.033 174.806 174.900 -0.211 0.000 1.354 287 G CA 0.231 45.201 45.100 -0.218 0.000 0.873 287 G HN 0.700 nan 8.290 nan 0.000 0.562 288 V N -1.911 117.917 119.914 -0.143 0.000 2.924 288 V HA 0.684 4.803 4.120 -0.001 0.000 0.305 288 V C 0.643 176.686 176.094 -0.086 0.000 1.073 288 V CA -0.371 61.890 62.300 -0.065 0.000 1.098 288 V CB 0.656 32.480 31.823 0.003 0.000 1.000 288 V HN 0.924 nan 8.190 nan 0.000 0.484 289 F N 1.996 122.039 119.950 0.154 0.000 2.399 289 F HA 0.621 5.148 4.527 -0.001 0.000 0.328 289 F C 1.184 177.045 175.800 0.101 0.000 1.084 289 F CA -0.028 58.072 58.000 0.167 0.000 1.053 289 F CB 1.608 40.676 39.000 0.113 0.000 1.209 289 F HN 0.895 nan 8.300 nan 0.000 0.502 290 S N 0.503 116.377 115.700 0.289 0.000 2.617 290 S HA 0.090 4.559 4.470 -0.001 0.000 0.255 290 S C 0.920 175.606 174.600 0.143 0.000 1.318 290 S CA -0.506 57.792 58.200 0.164 0.000 0.978 290 S CB 0.589 63.862 63.200 0.122 0.000 0.961 290 S HN 0.738 nan 8.310 nan 0.000 0.582 291 E N 0.788 121.040 120.200 0.087 0.000 2.051 291 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 291 E C 2.446 179.102 176.600 0.094 0.000 0.991 291 E CA 1.238 57.709 56.400 0.118 0.000 0.799 291 E CB -0.608 29.154 29.700 0.105 0.000 0.748 291 E HN 0.775 nan 8.360 nan 0.000 0.449 292 A N 2.155 124.983 122.820 0.012 0.000 1.883 292 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 292 A C 1.790 179.364 177.584 -0.017 0.000 1.186 292 A CA 2.035 54.040 52.037 -0.052 0.000 0.624 292 A CB -0.484 18.484 19.000 -0.054 0.000 0.822 292 A HN 0.104 nan 8.150 nan 0.000 0.444 293 D N -0.783 119.644 120.400 0.045 0.000 2.097 293 D HA -0.153 4.486 4.640 -0.001 0.000 0.195 293 D C 1.928 178.256 176.300 0.046 0.000 0.989 293 D CA 1.444 55.464 54.000 0.034 0.000 0.827 293 D CB -0.460 40.464 40.800 0.208 0.000 0.966 293 D HN 0.341 nan 8.370 nan 0.000 0.456 294 M N 1.218 120.903 119.600 0.140 0.000 2.108 294 M HA -0.178 4.302 4.480 -0.001 0.000 0.261 294 M C 2.120 178.546 176.300 0.210 0.000 1.066 294 M CA 1.412 56.807 55.300 0.159 0.000 1.107 294 M CB -0.542 32.130 32.600 0.120 0.000 1.356 294 M HN -0.077 nan 8.290 nan 0.000 0.406 295 R N -0.725 119.927 120.500 0.253 0.000 2.096 295 R HA -0.244 4.096 4.340 -0.001 0.000 0.240 295 R C 2.269 178.645 176.300 0.126 0.000 1.139 295 R CA 2.372 58.635 56.100 0.272 0.000 0.952 295 R CB -0.850 29.372 30.300 -0.129 0.000 0.854 295 R HN 0.454 nan 8.270 nan 0.000 0.436 296 F N 0.273 120.119 119.950 -0.172 0.000 2.113 296 F HA -0.198 4.329 4.527 -0.001 0.000 0.297 296 F C 1.503 177.149 175.800 -0.256 0.000 1.103 296 F CA 1.338 59.154 58.000 -0.307 0.000 1.248 296 F CB -0.463 38.274 39.000 -0.438 0.000 0.999 296 F HN 0.008 nan 8.300 nan 0.000 0.475 297 Y N 0.816 121.009 120.300 -0.178 0.000 2.165 297 Y HA -0.147 4.402 4.550 -0.001 0.000 0.286 297 Y C 2.689 178.452 175.900 -0.229 0.000 1.155 297 Y CA 1.102 59.039 58.100 -0.273 0.000 1.164 297 Y CB -1.512 36.849 38.460 -0.166 0.000 0.978 297 Y HN 0.213 nan 8.280 nan 0.000 0.513 298 A N 0.102 122.975 122.820 0.088 0.000 1.877 298 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 298 A C 2.519 180.108 177.584 0.008 0.000 1.186 298 A CA 2.006 54.145 52.037 0.171 0.000 0.620 298 A CB -1.345 17.939 19.000 0.472 0.000 0.822 298 A HN 0.397 nan 8.150 nan 0.000 0.443 299 A N -0.134 122.601 122.820 -0.142 0.000 1.859 299 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 299 A C 1.951 179.322 177.584 -0.356 0.000 1.198 299 A CA 1.900 53.726 52.037 -0.352 0.000 0.629 299 A CB -0.786 17.826 19.000 -0.646 0.000 0.830 299 A HN 0.641 nan 8.150 nan 0.000 0.446 300 E N -0.536 119.313 120.200 -0.586 0.000 2.058 300 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 300 E C 1.966 178.227 176.600 -0.566 0.000 0.997 300 E CA 1.371 57.256 56.400 -0.859 0.000 0.801 300 E CB -0.369 28.939 29.700 -0.654 0.000 0.746 300 E HN 0.704 nan 8.360 nan 0.000 0.450 301 I N 1.033 121.443 120.570 -0.266 0.000 2.264 301 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 301 I C 2.372 178.420 176.117 -0.114 0.000 1.111 301 I CA 1.096 62.314 61.300 -0.136 0.000 1.382 301 I CB -0.248 37.719 38.000 -0.055 0.000 1.060 301 I HN 0.126 nan 8.210 nan 0.000 0.418 302 I N 0.306 120.835 120.570 -0.067 0.000 2.226 302 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 302 I C 2.423 178.533 176.117 -0.011 0.000 1.100 302 I CA 1.429 62.756 61.300 0.044 0.000 1.374 302 I CB -0.267 37.763 38.000 0.050 0.000 1.057 302 I HN 0.202 nan 8.210 nan 0.000 0.413 303 L N 0.288 121.455 121.223 -0.094 0.000 2.046 303 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 303 L C 2.730 179.654 176.870 0.090 0.000 1.077 303 L CA 1.518 56.359 54.840 0.002 0.000 0.747 303 L CB -1.345 40.690 42.059 -0.040 0.000 0.896 303 L HN 0.327 nan 8.230 nan 0.000 0.432 304 G N 0.614 109.434 108.800 0.034 0.000 2.491 304 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.218 304 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.218 304 G C 1.615 176.477 174.900 -0.063 0.000 1.180 304 G CA 0.937 46.063 45.100 0.044 0.000 0.774 304 G HN 0.246 nan 8.290 nan 0.000 0.562 305 L N 0.022 121.123 121.223 -0.203 0.000 2.046 305 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 305 L C 2.762 179.316 176.870 -0.526 0.000 1.077 305 L CA 1.482 56.028 54.840 -0.490 0.000 0.747 305 L CB -0.476 41.143 42.059 -0.733 0.000 0.896 305 L HN 0.350 nan 8.230 nan 0.000 0.432 306 E N -0.315 119.775 120.200 -0.184 0.000 2.097 306 E HA -0.339 4.010 4.350 -0.001 0.000 0.196 306 E C 2.082 178.680 176.600 -0.005 0.000 1.000 306 E CA 1.777 58.156 56.400 -0.034 0.000 0.804 306 E CB -0.041 29.689 29.700 0.051 0.000 0.740 306 E HN 0.518 nan 8.360 nan 0.000 0.454 307 H N -0.373 118.681 119.070 -0.028 0.000 2.321 307 H HA -0.094 4.461 4.556 -0.001 0.000 0.300 307 H C 2.114 177.437 175.328 -0.008 0.000 1.087 307 H CA 2.332 58.387 56.048 0.011 0.000 1.319 307 H CB 0.075 29.863 29.762 0.043 0.000 1.379 307 H HN 0.152 nan 8.280 nan 0.000 0.501 308 M N -0.993 118.668 119.600 0.102 0.000 2.064 308 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 308 M C 2.173 178.561 176.300 0.146 0.000 1.073 308 M CA 1.827 57.205 55.300 0.129 0.000 1.124 308 M CB -0.852 31.844 32.600 0.160 0.000 1.326 308 M HN 0.505 nan 8.290 nan 0.000 0.410 309 H N 0.287 119.376 119.070 0.031 0.000 2.353 309 H HA -0.148 4.408 4.556 -0.001 0.000 0.298 309 H C 1.779 176.976 175.328 -0.218 0.000 1.103 309 H CA 1.482 57.566 56.048 0.060 0.000 1.293 309 H CB -0.420 29.408 29.762 0.110 0.000 1.372 309 H HN 0.548 nan 8.280 nan 0.000 0.501 310 N N 0.572 119.193 118.700 -0.132 0.000 2.289 310 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 310 N C 1.162 176.345 175.510 -0.546 0.000 1.016 310 N CA 0.401 53.231 53.050 -0.368 0.000 0.872 310 N CB 0.069 38.417 38.487 -0.232 0.000 0.973 310 N HN 0.264 nan 8.380 nan 0.000 0.433 311 R N 0.205 120.504 120.500 -0.335 0.000 2.391 311 R HA 0.132 4.471 4.340 -0.001 0.000 0.249 311 R C -0.580 175.685 176.300 -0.060 0.000 0.957 311 R CA -0.196 55.815 56.100 -0.148 0.000 1.093 311 R CB -0.140 30.124 30.300 -0.059 0.000 1.156 311 R HN 0.124 nan 8.270 nan 0.000 0.526 312 F N -1.089 118.718 119.950 -0.240 0.000 3.039 312 F HA -0.237 4.290 4.527 -0.001 0.000 0.287 312 F C -0.525 174.917 175.800 -0.596 0.000 0.956 312 F CA 0.069 57.604 58.000 -0.775 0.000 0.971 312 F CB -1.745 36.801 39.000 -0.756 0.000 0.943 312 F HN -0.165 nan 8.300 nan 0.000 0.766 313 V N 0.606 120.569 119.914 0.080 0.000 2.540 313 V HA 0.644 4.763 4.120 -0.001 0.000 0.302 313 V C -0.410 176.020 176.094 0.560 0.000 1.035 313 V CA -0.998 61.486 62.300 0.307 0.000 0.873 313 V CB 2.211 34.160 31.823 0.209 0.000 0.992 313 V HN 0.021 nan 8.190 nan 0.000 0.428 314 V N 5.407 125.624 119.914 0.506 0.000 2.347 314 V HA 0.332 4.451 4.120 -0.001 0.000 0.280 314 V C 0.514 176.747 176.094 0.231 0.000 1.021 314 V CA -0.107 62.364 62.300 0.284 0.000 0.847 314 V CB 1.214 33.063 31.823 0.043 0.000 0.990 314 V HN 0.866 nan 8.190 nan 0.000 0.444 315 Y N 6.649 127.011 120.300 0.103 0.000 2.200 315 Y HA -0.092 4.457 4.550 -0.001 0.000 0.290 315 Y C 2.078 177.995 175.900 0.030 0.000 1.137 315 Y CA 2.130 60.261 58.100 0.052 0.000 1.163 315 Y CB 0.026 38.493 38.460 0.011 0.000 0.988 315 Y HN 0.813 nan 8.280 nan 0.000 0.518 316 R N -1.342 119.130 120.500 -0.047 0.000 3.961 316 R HA -0.262 4.077 4.340 -0.001 0.000 0.457 316 R C -0.088 176.090 176.300 -0.202 0.000 0.854 316 R CA 1.482 57.510 56.100 -0.120 0.000 1.601 316 R CB -1.891 28.355 30.300 -0.090 0.000 2.259 316 R HN 0.363 nan 8.270 nan 0.000 0.486 317 D N 0.465 120.603 120.400 -0.437 0.000 2.891 317 D HA 0.202 4.841 4.640 -0.001 0.000 0.312 317 D C -0.915 175.381 176.300 -0.007 0.000 1.354 317 D CA -0.358 53.465 54.000 -0.296 0.000 0.838 317 D CB 0.313 40.864 40.800 -0.414 0.000 1.117 317 D HN 0.001 nan 8.370 nan 0.000 0.473 318 L N 2.211 123.545 121.223 0.184 0.000 2.477 318 L HA 0.242 4.581 4.340 -0.001 0.000 0.272 318 L C 0.095 176.911 176.870 -0.089 0.000 1.157 318 L CA 0.793 55.749 54.840 0.193 0.000 0.889 318 L CB -0.136 42.028 42.059 0.175 0.000 1.158 318 L HN 0.146 nan 8.230 nan 0.000 0.473 319 K N 2.918 123.222 120.400 -0.160 0.000 2.625 319 K HA 0.443 4.762 4.320 -0.001 0.000 0.284 319 K C -2.820 173.701 176.600 -0.133 0.000 0.984 319 K CA -1.466 54.583 56.287 -0.396 0.000 0.865 319 K CB 0.904 32.897 32.500 -0.845 0.000 1.468 319 K HN -0.014 nan 8.250 nan 0.000 0.407 320 P HA -0.228 nan 4.420 nan 0.000 0.216 320 P C 1.196 178.530 177.300 0.058 0.000 1.150 320 P CA 2.266 65.389 63.100 0.038 0.000 0.843 320 P CB -0.007 31.776 31.700 0.138 0.000 0.787 321 A N -0.537 122.308 122.820 0.041 0.000 2.076 321 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 321 A C 1.792 179.385 177.584 0.016 0.000 1.160 321 A CA 1.592 53.651 52.037 0.035 0.000 0.653 321 A CB -1.135 17.819 19.000 -0.077 0.000 0.801 321 A HN 0.161 nan 8.150 nan 0.000 0.455 322 N N -0.149 118.555 118.700 0.006 0.000 2.322 322 N HA 0.132 4.871 4.740 -0.001 0.000 0.194 322 N C -0.426 175.097 175.510 0.021 0.000 1.126 322 N CA 0.256 53.332 53.050 0.042 0.000 0.845 322 N CB 0.398 38.963 38.487 0.131 0.000 0.976 322 N HN 0.271 nan 8.380 nan 0.000 0.475 323 I N 2.097 122.674 120.570 0.012 0.000 2.328 323 I HA 0.288 4.457 4.170 -0.001 0.000 0.287 323 I C 0.341 176.482 176.117 0.040 0.000 1.012 323 I CA -0.495 60.806 61.300 0.003 0.000 1.195 323 I CB 0.662 38.646 38.000 -0.028 0.000 1.350 323 I HN -0.207 nan 8.210 nan 0.000 0.464 324 L N 6.029 127.283 121.223 0.051 0.000 2.387 324 L HA 0.551 4.890 4.340 -0.001 0.000 0.266 324 L C -0.572 176.370 176.870 0.120 0.000 1.059 324 L CA -1.037 53.852 54.840 0.082 0.000 0.801 324 L CB 1.423 43.517 42.059 0.059 0.000 1.223 324 L HN 0.271 nan 8.230 nan 0.000 0.456 325 L N 0.764 122.077 121.223 0.149 0.000 2.365 325 L HA 0.345 4.684 4.340 -0.001 0.000 0.273 325 L C -0.222 176.730 176.870 0.137 0.000 1.000 325 L CA -0.419 54.526 54.840 0.175 0.000 0.819 325 L CB 1.659 43.840 42.059 0.203 0.000 1.284 325 L HN 0.576 nan 8.230 nan 0.000 0.418 326 D N 0.854 121.338 120.400 0.140 0.000 2.440 326 D HA 0.056 4.695 4.640 -0.001 0.000 0.269 326 D C 0.854 177.177 176.300 0.039 0.000 1.249 326 D CA -0.210 53.840 54.000 0.084 0.000 1.055 326 D CB 0.407 41.264 40.800 0.095 0.000 1.104 326 D HN 0.683 nan 8.370 nan 0.000 0.561 327 E N -0.970 119.182 120.200 -0.081 0.000 2.204 327 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 327 E C 1.271 177.783 176.600 -0.147 0.000 0.989 327 E CA 1.060 57.369 56.400 -0.151 0.000 0.824 327 E CB -0.630 28.922 29.700 -0.245 0.000 0.756 327 E HN 0.613 nan 8.360 nan 0.000 0.477 328 H N -0.274 118.856 119.070 0.100 0.000 2.551 328 H HA 0.253 4.808 4.556 -0.001 0.000 0.266 328 H C 1.099 176.454 175.328 0.045 0.000 0.964 328 H CA 0.322 56.428 56.048 0.097 0.000 1.180 328 H CB 1.047 30.914 29.762 0.176 0.000 1.408 328 H HN 0.420 nan 8.280 nan 0.000 0.563 329 G N 0.109 109.001 108.800 0.152 0.000 2.163 329 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.213 329 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.213 329 G C -0.220 174.758 174.900 0.131 0.000 0.991 329 G CA -0.479 44.667 45.100 0.076 0.000 0.653 329 G HN 0.421 nan 8.290 nan 0.000 0.518 330 H N 0.062 119.298 119.070 0.277 0.000 2.615 330 H HA 0.508 5.064 4.556 -0.001 0.000 0.363 330 H C 0.688 176.175 175.328 0.265 0.000 1.148 330 H CA 0.783 57.040 56.048 0.349 0.000 1.401 330 H CB 1.916 31.848 29.762 0.282 0.000 1.461 330 H HN 0.627 nan 8.280 nan 0.000 0.588 331 V N 0.959 121.095 119.914 0.371 0.000 2.919 331 V HA 0.733 4.852 4.120 -0.001 0.000 0.316 331 V C -0.203 176.013 176.094 0.202 0.000 1.077 331 V CA -0.987 61.463 62.300 0.249 0.000 0.977 331 V CB 2.416 34.377 31.823 0.230 0.000 1.039 331 V HN 0.736 nan 8.190 nan 0.000 0.441 332 R N 2.004 122.571 120.500 0.111 0.000 2.698 332 R HA 0.651 4.990 4.340 -0.001 0.000 0.275 332 R C -1.282 175.009 176.300 -0.015 0.000 1.001 332 R CA -0.838 55.293 56.100 0.052 0.000 0.896 332 R CB 2.472 32.778 30.300 0.011 0.000 1.218 332 R HN 0.766 nan 8.270 nan 0.000 0.462 333 I N 0.670 121.187 120.570 -0.088 0.000 2.575 333 I HA 0.041 4.210 4.170 -0.001 0.000 0.285 333 I C 1.010 177.043 176.117 -0.140 0.000 1.085 333 I CA 0.483 61.659 61.300 -0.208 0.000 1.403 333 I CB 1.561 39.286 38.000 -0.458 0.000 1.409 333 I HN 0.645 nan 8.210 nan 0.000 0.557 334 S N 2.378 118.039 115.700 -0.066 0.000 3.049 334 S HA 0.052 4.521 4.470 -0.001 0.000 0.182 334 S C 0.183 174.839 174.600 0.093 0.000 0.725 334 S CA -0.026 58.186 58.200 0.019 0.000 0.811 334 S CB 0.203 63.420 63.200 0.028 0.000 0.801 334 S HN 0.732 nan 8.310 nan 0.000 0.627 335 D N 1.938 122.430 120.400 0.152 0.000 2.344 335 D HA 0.181 4.820 4.640 -0.001 0.000 0.253 335 D C 0.265 176.649 176.300 0.141 0.000 1.255 335 D CA 0.134 54.189 54.000 0.091 0.000 0.894 335 D CB 0.542 41.357 40.800 0.024 0.000 1.067 335 D HN 0.247 nan 8.370 nan 0.000 0.492 336 L N 3.026 124.302 121.223 0.088 0.000 2.612 336 L HA 0.182 4.522 4.340 -0.001 0.000 0.230 336 L C 2.350 179.214 176.870 -0.009 0.000 1.140 336 L CA 0.105 55.002 54.840 0.095 0.000 0.896 336 L CB 0.257 42.358 42.059 0.070 0.000 1.065 336 L HN 0.531 nan 8.230 nan 0.000 0.447 337 G N 0.054 108.836 108.800 -0.030 0.000 2.475 337 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.220 337 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.220 337 G C 1.376 176.264 174.900 -0.019 0.000 1.125 337 G CA 0.629 45.726 45.100 -0.004 0.000 0.755 337 G HN 0.373 nan 8.290 nan 0.000 0.565 338 L N 0.480 121.646 121.223 -0.096 0.000 2.607 338 L HA 0.406 4.745 4.340 -0.001 0.000 0.228 338 L C 1.689 178.489 176.870 -0.117 0.000 1.123 338 L CA -0.442 54.331 54.840 -0.112 0.000 0.890 338 L CB 0.050 42.006 42.059 -0.172 0.000 1.103 338 L HN 0.247 nan 8.230 nan 0.000 0.468 339 A N -0.517 122.249 122.820 -0.090 0.000 2.280 339 A HA 0.392 4.711 4.320 -0.001 0.000 0.268 339 A C -0.427 177.187 177.584 0.051 0.000 1.111 339 A CA -0.199 51.832 52.037 -0.010 0.000 0.814 339 A CB 0.798 19.850 19.000 0.087 0.000 1.093 339 A HN 0.296 nan 8.150 nan 0.000 0.498 340 C N 0.528 119.895 119.300 0.112 0.000 2.752 340 C HA 0.486 4.946 4.460 -0.001 0.000 0.360 340 C C -1.002 174.103 174.990 0.192 0.000 1.081 340 C CA -0.868 58.222 59.018 0.119 0.000 1.272 340 C CB 0.679 28.474 27.740 0.091 0.000 1.754 340 C HN 0.950 nan 8.230 nan 0.000 0.483 341 D N 3.091 123.566 120.400 0.126 0.000 2.401 341 D HA 0.162 4.801 4.640 -0.001 0.000 0.254 341 D C 0.407 176.792 176.300 0.141 0.000 1.192 341 D CA -0.136 53.919 54.000 0.092 0.000 0.885 341 D CB 0.310 41.128 40.800 0.031 0.000 1.147 341 D HN 0.559 nan 8.370 nan 0.000 0.478 342 F N 1.472 121.461 119.950 0.065 0.000 2.654 342 F HA 0.207 4.733 4.527 -0.001 0.000 0.303 342 F C 1.755 177.572 175.800 0.028 0.000 1.099 342 F CA -0.160 57.857 58.000 0.029 0.000 1.270 342 F CB -0.536 38.474 39.000 0.018 0.000 1.024 342 F HN 0.238 nan 8.300 nan 0.000 0.548 343 S N 0.952 116.496 115.700 -0.261 0.000 2.359 343 S HA -0.180 4.290 4.470 -0.001 0.000 0.224 343 S C 1.638 176.101 174.600 -0.229 0.000 1.035 343 S CA 1.327 59.280 58.200 -0.412 0.000 1.018 343 S CB -0.369 62.521 63.200 -0.516 0.000 0.876 343 S HN 0.586 nan 8.310 nan 0.000 0.448 344 K N 1.085 121.408 120.400 -0.128 0.000 2.118 344 K HA 0.252 4.571 4.320 -0.001 0.000 0.214 344 K C 0.430 177.014 176.600 -0.026 0.000 1.023 344 K CA 0.333 56.572 56.287 -0.081 0.000 0.948 344 K CB -0.047 32.410 32.500 -0.071 0.000 0.851 344 K HN 0.170 nan 8.250 nan 0.000 0.455 345 K N 2.140 122.536 120.400 -0.006 0.000 2.144 345 K HA 0.193 4.512 4.320 -0.001 0.000 0.270 345 K C -0.537 176.086 176.600 0.038 0.000 1.005 345 K CA -0.095 56.200 56.287 0.013 0.000 0.932 345 K CB 1.219 33.727 32.500 0.013 0.000 1.021 345 K HN 0.026 nan 8.250 nan 0.000 0.462 346 K N 3.146 123.561 120.400 0.025 0.000 2.143 346 K HA 0.277 4.597 4.320 -0.001 0.000 0.272 346 K C -2.093 174.446 176.600 -0.102 0.000 1.001 346 K CA -1.713 54.562 56.287 -0.020 0.000 0.915 346 K CB 0.906 33.378 32.500 -0.046 0.000 1.047 346 K HN 0.430 nan 8.250 nan 0.000 0.458 347 P HA 0.097 nan 4.420 nan 0.000 0.277 347 P C -0.498 176.497 177.300 -0.508 0.000 1.271 347 P CA 0.015 62.884 63.100 -0.385 0.000 0.795 347 P CB 0.687 32.099 31.700 -0.480 0.000 1.101 348 H N -2.508 116.393 119.070 -0.281 0.000 3.881 348 H HA 0.345 4.900 4.556 -0.001 0.000 0.256 348 H C 0.319 175.775 175.328 0.212 0.000 1.069 348 H CA -0.200 55.832 56.048 -0.027 0.000 1.145 348 H CB -0.346 29.403 29.762 -0.022 0.000 1.445 348 H HN 0.427 nan 8.280 nan 0.000 0.700 349 A N 1.958 124.650 122.820 -0.212 0.000 2.425 349 A HA 0.273 4.592 4.320 -0.001 0.000 0.242 349 A C 0.638 178.261 177.584 0.064 0.000 1.077 349 A CA 0.429 52.427 52.037 -0.065 0.000 0.781 349 A CB 0.223 19.122 19.000 -0.168 0.000 1.020 349 A HN 0.425 nan 8.150 nan 0.000 0.494 350 S N 0.701 116.412 115.700 0.019 0.000 2.443 350 S HA 0.425 4.894 4.470 -0.001 0.000 0.284 350 S C -0.540 174.032 174.600 -0.047 0.000 1.206 350 S CA -0.271 57.907 58.200 -0.037 0.000 1.074 350 S CB -0.645 62.531 63.200 -0.039 0.000 0.963 350 S HN 0.872 nan 8.310 nan 0.000 0.501 351 V N 4.945 124.816 119.914 -0.072 0.000 2.711 351 V HA 0.842 4.961 4.120 -0.001 0.000 0.304 351 V C 0.537 176.566 176.094 -0.108 0.000 1.097 351 V CA 0.298 62.559 62.300 -0.064 0.000 0.906 351 V CB 1.342 33.155 31.823 -0.017 0.000 1.015 351 V HN 1.274 nan 8.190 nan 0.000 0.427 352 G N 3.846 112.577 108.800 -0.115 0.000 2.302 352 G HA2 0.280 4.239 3.960 -0.001 0.000 0.264 352 G HA3 0.280 4.239 3.960 -0.001 0.000 0.264 352 G C -0.713 174.127 174.900 -0.100 0.000 1.335 352 G CA -0.063 44.966 45.100 -0.119 0.000 0.982 352 G HN 0.660 nan 8.290 nan 0.000 0.473 353 T N 0.021 114.549 114.554 -0.043 0.000 2.888 353 T HA 0.572 4.921 4.350 -0.001 0.000 0.284 353 T C 0.895 175.682 174.700 0.144 0.000 1.017 353 T CA -0.479 61.656 62.100 0.058 0.000 1.022 353 T CB 1.636 70.536 68.868 0.054 0.000 1.013 353 T HN 0.528 nan 8.240 nan 0.000 0.465 354 H N 1.883 121.045 119.070 0.152 0.000 2.423 354 H HA -0.008 4.548 4.556 -0.001 0.000 0.297 354 H C 2.192 177.586 175.328 0.111 0.000 1.075 354 H CA 1.282 57.390 56.048 0.100 0.000 1.342 354 H CB 0.061 29.845 29.762 0.036 0.000 1.395 354 H HN 0.790 nan 8.280 nan 0.000 0.530 355 G N -1.490 107.449 108.800 0.233 0.000 2.920 355 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.208 355 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.208 355 G C 0.409 175.206 174.900 -0.172 0.000 1.159 355 G CA 0.080 45.174 45.100 -0.009 0.000 0.784 355 G HN 0.378 nan 8.290 nan 0.000 0.535 356 Y N -0.963 119.433 120.300 0.161 0.000 2.563 356 Y HA 0.441 4.991 4.550 -0.001 0.000 0.250 356 Y C 1.100 177.094 175.900 0.157 0.000 1.126 356 Y CA -0.654 57.555 58.100 0.182 0.000 1.231 356 Y CB 0.420 38.954 38.460 0.124 0.000 1.288 356 Y HN -0.010 nan 8.280 nan 0.000 0.537 357 M N 0.852 120.541 119.600 0.149 0.000 2.277 357 M HA 0.539 5.018 4.480 -0.001 0.000 0.350 357 M C 0.381 176.558 176.300 -0.204 0.000 1.180 357 M CA -0.622 54.652 55.300 -0.042 0.000 1.103 357 M CB 1.112 33.601 32.600 -0.184 0.000 1.577 357 M HN 0.182 nan 8.290 nan 0.000 0.459 358 A N 3.949 126.538 122.820 -0.386 0.000 2.386 358 A HA 0.342 4.661 4.320 -0.001 0.000 0.248 358 A C -1.848 175.299 177.584 -0.728 0.000 1.082 358 A CA -1.285 50.216 52.037 -0.894 0.000 0.789 358 A CB -0.383 18.261 19.000 -0.594 0.000 1.025 358 A HN 0.614 nan 8.150 nan 0.000 0.490 359 P HA -0.221 nan 4.420 nan 0.000 0.216 359 P C 1.307 178.417 177.300 -0.318 0.000 1.153 359 P CA 1.762 64.583 63.100 -0.466 0.000 0.858 359 P CB 0.044 31.513 31.700 -0.385 0.000 0.789 360 E N -0.187 119.827 120.200 -0.309 0.000 2.204 360 E HA -0.090 4.259 4.350 -0.001 0.000 0.194 360 E C 1.839 178.302 176.600 -0.227 0.000 0.989 360 E CA 1.133 57.420 56.400 -0.188 0.000 0.824 360 E CB -1.312 28.323 29.700 -0.108 0.000 0.756 360 E HN 0.101 nan 8.360 nan 0.000 0.477 361 V N 1.684 121.310 119.914 -0.481 0.000 2.323 361 V HA -0.195 3.924 4.120 -0.001 0.000 0.244 361 V C 2.654 178.608 176.094 -0.234 0.000 1.041 361 V CA 1.345 63.301 62.300 -0.573 0.000 1.025 361 V CB -0.481 30.910 31.823 -0.720 0.000 0.656 361 V HN 0.166 nan 8.190 nan 0.000 0.451 362 L N -0.637 120.448 121.223 -0.230 0.000 2.083 362 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 362 L C 1.259 178.088 176.870 -0.068 0.000 1.083 362 L CA 1.000 55.756 54.840 -0.141 0.000 0.752 362 L CB -0.408 41.556 42.059 -0.158 0.000 0.899 362 L HN 0.382 nan 8.230 nan 0.000 0.433 363 Q N 0.424 120.182 119.800 -0.070 0.000 2.297 363 Q HA 0.003 4.342 4.340 -0.001 0.000 0.267 363 Q C 0.753 176.773 176.000 0.033 0.000 1.006 363 Q CA -0.356 55.434 55.803 -0.023 0.000 0.896 363 Q CB 1.051 29.768 28.738 -0.034 0.000 1.186 363 Q HN 0.054 nan 8.270 nan 0.000 0.392 364 K N 1.878 122.303 120.400 0.041 0.000 2.001 364 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 364 K C 1.676 178.355 176.600 0.130 0.000 1.048 364 K CA 1.460 57.795 56.287 0.080 0.000 0.932 364 K CB -0.439 32.093 32.500 0.054 0.000 0.715 364 K HN 0.792 nan 8.250 nan 0.000 0.437 365 G N 0.864 109.701 108.800 0.062 0.000 3.042 365 G HA2 0.122 4.081 3.960 -0.001 0.000 0.212 365 G HA3 0.122 4.081 3.960 -0.001 0.000 0.212 365 G C 0.151 175.049 174.900 -0.004 0.000 1.166 365 G CA -0.233 44.868 45.100 0.001 0.000 0.767 365 G HN 0.010 nan 8.290 nan 0.000 0.546 366 V N 1.693 121.646 119.914 0.066 0.000 2.432 366 V HA 0.590 4.710 4.120 -0.001 0.000 0.271 366 V C 0.803 176.998 176.094 0.169 0.000 1.046 366 V CA -0.905 61.440 62.300 0.075 0.000 0.945 366 V CB 0.696 32.551 31.823 0.054 0.000 0.992 366 V HN 0.369 nan 8.190 nan 0.000 0.471 367 A N 5.738 128.619 122.820 0.101 0.000 2.313 367 A HA 0.789 5.108 4.320 -0.001 0.000 0.261 367 A C -0.559 177.102 177.584 0.127 0.000 1.090 367 A CA -0.041 52.034 52.037 0.063 0.000 0.807 367 A CB 0.404 19.397 19.000 -0.012 0.000 1.055 367 A HN 1.196 nan 8.150 nan 0.000 0.492 368 Y N -1.655 118.630 120.300 -0.024 0.000 2.713 368 Y HA 0.631 5.180 4.550 -0.001 0.000 0.335 368 Y C -0.736 175.061 175.900 -0.172 0.000 1.222 368 Y CA -0.870 57.177 58.100 -0.088 0.000 1.061 368 Y CB 0.780 39.178 38.460 -0.103 0.000 1.314 368 Y HN 0.701 nan 8.280 nan 0.000 0.453 369 D N -0.584 119.760 120.400 -0.094 0.000 2.855 369 D HA 0.233 4.872 4.640 -0.001 0.000 0.231 369 D C 1.036 176.989 176.300 -0.579 0.000 1.225 369 D CA 0.130 53.793 54.000 -0.561 0.000 1.074 369 D CB -0.171 40.317 40.800 -0.520 0.000 1.235 369 D HN 0.575 nan 8.370 nan 0.000 0.635 370 S N -0.141 115.015 115.700 -0.907 0.000 2.423 370 S HA -0.273 4.196 4.470 -0.001 0.000 0.238 370 S C 2.005 176.401 174.600 -0.341 0.000 1.028 370 S CA 2.067 59.814 58.200 -0.754 0.000 1.000 370 S CB -1.294 61.282 63.200 -1.040 0.000 0.797 370 S HN 0.670 nan 8.310 nan 0.000 0.487 371 S N 3.619 119.263 115.700 -0.093 0.000 2.414 371 S HA -0.337 4.133 4.470 -0.001 0.000 0.241 371 S C 2.035 176.673 174.600 0.064 0.000 1.079 371 S CA 1.646 59.903 58.200 0.094 0.000 1.087 371 S CB -1.387 61.850 63.200 0.061 0.000 0.927 371 S HN 0.954 nan 8.310 nan 0.000 0.456 372 A N 2.290 125.076 122.820 -0.058 0.000 1.892 372 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 372 A C 2.057 179.649 177.584 0.013 0.000 1.188 372 A CA 2.023 54.000 52.037 -0.100 0.000 0.631 372 A CB -1.160 17.715 19.000 -0.209 0.000 0.822 372 A HN 0.600 nan 8.150 nan 0.000 0.447 373 D N -1.481 118.877 120.400 -0.070 0.000 2.144 373 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 373 D C 1.759 178.039 176.300 -0.033 0.000 0.978 373 D CA 0.952 54.901 54.000 -0.085 0.000 0.833 373 D CB -0.380 40.319 40.800 -0.168 0.000 0.961 373 D HN 0.784 nan 8.370 nan 0.000 0.470 374 W N 0.004 121.428 121.300 0.206 0.000 2.402 374 W HA -0.049 4.610 4.660 -0.001 0.000 0.286 374 W C 2.135 178.761 176.519 0.179 0.000 1.221 374 W CA -0.238 57.214 57.345 0.177 0.000 1.257 374 W CB -0.481 29.069 29.460 0.151 0.000 1.120 374 W HN -0.092 nan 8.180 nan 0.000 0.551 375 F N 0.936 121.041 119.950 0.259 0.000 2.128 375 F HA -0.199 4.327 4.527 -0.001 0.000 0.295 375 F C 2.488 178.396 175.800 0.180 0.000 1.100 375 F CA 1.962 60.070 58.000 0.180 0.000 1.260 375 F CB -0.598 38.459 39.000 0.095 0.000 1.009 375 F HN -0.338 nan 8.300 nan 0.000 0.476 376 S N 0.857 116.796 115.700 0.398 0.000 2.365 376 S HA -0.260 4.210 4.470 -0.001 0.000 0.225 376 S C 1.892 176.648 174.600 0.259 0.000 1.039 376 S CA 1.677 60.075 58.200 0.330 0.000 1.033 376 S CB -0.834 62.511 63.200 0.242 0.000 0.887 376 S HN 0.411 nan 8.310 nan 0.000 0.447 377 L N 1.956 123.309 121.223 0.216 0.000 2.079 377 L HA -0.029 4.310 4.340 -0.001 0.000 0.210 377 L C 2.227 179.192 176.870 0.159 0.000 1.081 377 L CA 2.024 56.984 54.840 0.200 0.000 0.752 377 L CB -1.320 40.902 42.059 0.272 0.000 0.896 377 L HN 0.302 nan 8.230 nan 0.000 0.433 378 G N -1.015 107.841 108.800 0.093 0.000 2.491 378 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.218 378 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.218 378 G C 1.575 176.470 174.900 -0.008 0.000 1.180 378 G CA 1.168 46.254 45.100 -0.023 0.000 0.774 378 G HN 0.562 nan 8.290 nan 0.000 0.562 379 C N 0.149 119.439 119.300 -0.018 0.000 2.429 379 C HA 0.047 4.506 4.460 -0.001 0.000 0.277 379 C C 2.765 177.876 174.990 0.202 0.000 1.262 379 C CA 1.069 60.097 59.018 0.017 0.000 1.733 379 C CB -0.913 26.837 27.740 0.018 0.000 2.010 379 C HN 0.500 nan 8.230 nan 0.000 0.483 380 M N 0.345 120.140 119.600 0.325 0.000 2.132 380 M HA -0.090 4.389 4.480 -0.001 0.000 0.263 380 M C 2.078 178.502 176.300 0.207 0.000 1.065 380 M CA 1.775 57.285 55.300 0.351 0.000 1.122 380 M CB -0.249 32.506 32.600 0.258 0.000 1.365 380 M HN 0.402 nan 8.290 nan 0.000 0.411 381 L N -1.071 120.240 121.223 0.146 0.000 2.141 381 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 381 L C 2.354 179.261 176.870 0.061 0.000 1.094 381 L CA 0.967 55.850 54.840 0.072 0.000 0.763 381 L CB -0.728 41.339 42.059 0.014 0.000 0.908 381 L HN 0.251 nan 8.230 nan 0.000 0.437 382 F N 1.509 121.436 119.950 -0.038 0.000 2.095 382 F HA -0.302 4.224 4.527 -0.001 0.000 0.298 382 F C 2.631 178.412 175.800 -0.030 0.000 1.104 382 F CA 2.007 59.983 58.000 -0.040 0.000 1.232 382 F CB -0.067 38.867 39.000 -0.109 0.000 0.987 382 F HN -0.128 nan 8.300 nan 0.000 0.475 383 K N 0.670 121.159 120.400 0.149 0.000 2.063 383 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 383 K C 1.972 178.605 176.600 0.055 0.000 1.048 383 K CA 1.936 58.280 56.287 0.094 0.000 0.928 383 K CB -0.634 32.017 32.500 0.252 0.000 0.713 383 K HN 0.451 nan 8.250 nan 0.000 0.442 384 L N 0.101 121.381 121.223 0.095 0.000 2.083 384 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 384 L C 2.237 179.210 176.870 0.173 0.000 1.083 384 L CA 1.101 56.045 54.840 0.172 0.000 0.752 384 L CB -0.337 41.785 42.059 0.106 0.000 0.899 384 L HN 0.203 nan 8.230 nan 0.000 0.433 385 L N -1.239 119.991 121.223 0.012 0.000 2.270 385 L HA -0.030 4.309 4.340 -0.001 0.000 0.210 385 L C 2.399 179.228 176.870 -0.069 0.000 1.104 385 L CA 0.563 55.398 54.840 -0.008 0.000 0.804 385 L CB -0.164 41.839 42.059 -0.093 0.000 0.937 385 L HN 0.173 nan 8.230 nan 0.000 0.450 386 R N -1.041 119.306 120.500 -0.255 0.000 2.369 386 R HA 0.310 4.649 4.340 -0.001 0.000 0.210 386 R C 1.303 177.467 176.300 -0.227 0.000 0.881 386 R CA 0.846 56.725 56.100 -0.368 0.000 1.031 386 R CB 0.765 30.515 30.300 -0.916 0.000 1.184 386 R HN 0.288 nan 8.270 nan 0.000 0.581 387 G N 1.342 110.059 108.800 -0.137 0.000 2.213 387 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.226 387 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.226 387 G C -0.135 174.848 174.900 0.139 0.000 0.992 387 G CA 0.442 45.562 45.100 0.033 0.000 0.632 387 G HN 0.615 nan 8.290 nan 0.000 0.511 388 H N -0.844 118.289 119.070 0.105 0.000 3.016 388 H HA 0.806 5.361 4.556 -0.001 0.000 0.362 388 H C -0.032 175.435 175.328 0.231 0.000 1.233 388 H CA -0.175 55.967 56.048 0.155 0.000 1.124 388 H CB 0.966 30.809 29.762 0.136 0.000 1.850 388 H HN 0.453 nan 8.280 nan 0.000 0.549 389 S N 1.545 117.385 115.700 0.234 0.000 2.558 389 S HA 0.055 4.525 4.470 -0.001 0.000 0.288 389 S C -1.270 173.374 174.600 0.073 0.000 1.318 389 S CA -0.756 57.465 58.200 0.036 0.000 1.056 389 S CB 0.357 63.424 63.200 -0.223 0.000 0.853 389 S HN 0.729 nan 8.310 nan 0.000 0.505 390 P HA -0.032 nan 4.420 nan 0.000 0.222 390 P C 0.300 177.111 177.300 -0.816 0.000 1.147 390 P CA 1.239 63.657 63.100 -1.137 0.000 0.790 390 P CB -0.132 30.367 31.700 -2.002 0.000 0.780 391 F N -0.533 119.332 119.950 -0.141 0.000 2.684 391 F HA 0.325 4.851 4.527 -0.001 0.000 0.298 391 F C 1.237 177.016 175.800 -0.034 0.000 1.120 391 F CA -0.566 57.389 58.000 -0.074 0.000 1.332 391 F CB 0.190 39.162 39.000 -0.047 0.000 0.986 391 F HN -0.270 nan 8.300 nan 0.000 0.524 392 R N 1.615 122.168 120.500 0.089 0.000 2.352 392 R HA 0.261 4.600 4.340 -0.001 0.000 0.304 392 R C -0.663 175.609 176.300 -0.048 0.000 1.104 392 R CA -0.437 55.698 56.100 0.058 0.000 0.991 392 R CB 0.445 30.799 30.300 0.091 0.000 1.140 392 R HN 0.031 nan 8.270 nan 0.000 0.540 393 Q N 2.641 122.375 119.800 -0.109 0.000 2.243 393 Q HA 0.153 4.492 4.340 -0.001 0.000 0.252 393 Q C -0.367 175.527 176.000 -0.177 0.000 0.909 393 Q CA -0.465 55.171 55.803 -0.278 0.000 0.922 393 Q CB 0.989 29.520 28.738 -0.345 0.000 1.215 393 Q HN 0.577 nan 8.270 nan 0.000 0.427 394 H N 1.487 120.451 119.070 -0.177 0.000 2.445 394 H HA -0.194 4.361 4.556 -0.001 0.000 0.322 394 H C -0.501 174.789 175.328 -0.064 0.000 1.053 394 H CA 0.959 56.941 56.048 -0.110 0.000 1.109 394 H CB -1.820 27.901 29.762 -0.070 0.000 1.546 394 H HN 0.668 nan 8.280 nan 0.000 0.397 395 K N -0.976 119.452 120.400 0.047 0.000 4.405 395 K HA -0.195 4.124 4.320 -0.001 0.000 0.287 395 K C 0.336 176.960 176.600 0.039 0.000 0.905 395 K CA 1.140 57.454 56.287 0.044 0.000 0.867 395 K CB -0.645 31.881 32.500 0.043 0.000 1.652 395 K HN 0.551 nan 8.250 nan 0.000 0.435 396 T N 0.219 114.790 114.554 0.029 0.000 2.902 396 T HA 0.370 4.720 4.350 -0.001 0.000 0.283 396 T C 0.706 175.415 174.700 0.015 0.000 1.009 396 T CA -0.709 61.404 62.100 0.020 0.000 1.051 396 T CB 1.027 69.902 68.868 0.013 0.000 0.999 396 T HN 0.391 nan 8.240 nan 0.000 0.474 397 K N 1.698 122.099 120.400 0.000 0.000 2.402 397 K HA 0.172 4.491 4.320 -0.001 0.000 0.204 397 K C -0.528 176.036 176.600 -0.061 0.000 1.056 397 K CA -0.265 56.009 56.287 -0.022 0.000 1.069 397 K CB 0.548 33.037 32.500 -0.018 0.000 0.888 397 K HN 0.475 nan 8.250 nan 0.000 0.546 398 D N 2.400 122.774 120.400 -0.044 0.000 2.356 398 D HA -0.007 4.633 4.640 -0.001 0.000 0.272 398 D C 0.521 176.760 176.300 -0.102 0.000 1.337 398 D CA 0.549 54.510 54.000 -0.066 0.000 0.970 398 D CB 0.847 41.647 40.800 -0.000 0.000 1.092 398 D HN -0.007 nan 8.370 nan 0.000 0.516 399 K N 1.002 121.251 120.400 -0.252 0.000 2.283 399 K HA -0.106 4.214 4.320 -0.001 0.000 0.202 399 K C 1.127 177.620 176.600 -0.178 0.000 1.048 399 K CA 0.826 56.930 56.287 -0.304 0.000 0.948 399 K CB 0.077 32.144 32.500 -0.723 0.000 0.742 399 K HN 0.569 nan 8.250 nan 0.000 0.458 400 H N 0.250 119.294 119.070 -0.043 0.000 2.470 400 H HA 0.013 4.568 4.556 -0.001 0.000 0.289 400 H C 1.685 177.014 175.328 0.002 0.000 1.033 400 H CA 0.669 56.712 56.048 -0.009 0.000 1.331 400 H CB 0.308 30.060 29.762 -0.016 0.000 1.414 400 H HN 0.233 nan 8.280 nan 0.000 0.545 401 E N 0.824 121.081 120.200 0.096 0.000 2.016 401 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 401 E C 2.149 178.784 176.600 0.058 0.000 0.985 401 E CA 0.827 57.265 56.400 0.062 0.000 0.802 401 E CB 0.024 29.748 29.700 0.040 0.000 0.762 401 E HN 0.393 nan 8.360 nan 0.000 0.448 402 I N 1.947 122.552 120.570 0.059 0.000 2.145 402 I HA -0.332 3.838 4.170 -0.001 0.000 0.244 402 I C 1.957 178.109 176.117 0.058 0.000 1.075 402 I CA 1.279 62.630 61.300 0.086 0.000 1.332 402 I CB -0.324 37.736 38.000 0.100 0.000 1.033 402 I HN 0.062 nan 8.210 nan 0.000 0.410 403 D N 0.175 120.616 120.400 0.068 0.000 2.117 403 D HA -0.205 4.434 4.640 -0.001 0.000 0.197 403 D C 2.191 178.466 176.300 -0.042 0.000 0.987 403 D CA 1.136 55.146 54.000 0.017 0.000 0.829 403 D CB -0.317 40.542 40.800 0.098 0.000 0.961 403 D HN 0.284 nan 8.370 nan 0.000 0.460 404 R N -0.004 120.498 120.500 0.004 0.000 2.073 404 R HA -0.095 4.244 4.340 -0.001 0.000 0.234 404 R C 2.213 178.497 176.300 -0.026 0.000 1.134 404 R CA 1.100 57.194 56.100 -0.010 0.000 0.952 404 R CB -0.008 30.303 30.300 0.018 0.000 0.850 404 R HN 0.047 nan 8.270 nan 0.000 0.433 405 M N 0.085 119.690 119.600 0.008 0.000 2.080 405 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 405 M C 2.175 178.449 176.300 -0.044 0.000 1.068 405 M CA 2.025 57.367 55.300 0.070 0.000 1.109 405 M CB -1.342 31.373 32.600 0.192 0.000 1.342 405 M HN 0.175 nan 8.290 nan 0.000 0.405 406 T N 1.991 116.319 114.554 -0.377 0.000 2.624 406 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 406 T C 2.023 176.464 174.700 -0.431 0.000 1.041 406 T CA 1.503 63.047 62.100 -0.927 0.000 1.159 406 T CB -0.538 67.879 68.868 -0.752 0.000 0.863 406 T HN 0.349 nan 8.240 nan 0.000 0.434 407 L N 0.856 121.930 121.223 -0.247 0.000 2.376 407 L HA 0.008 4.347 4.340 -0.001 0.000 0.219 407 L C 2.614 179.437 176.870 -0.078 0.000 1.133 407 L CA 1.414 56.160 54.840 -0.157 0.000 0.816 407 L CB -0.533 41.455 42.059 -0.118 0.000 0.933 407 L HN 0.521 nan 8.230 nan 0.000 0.449 408 T N -5.697 108.831 114.554 -0.043 0.000 2.992 408 T HA 0.156 4.505 4.350 -0.001 0.000 0.255 408 T C 0.528 175.250 174.700 0.036 0.000 0.938 408 T CA -0.301 61.798 62.100 -0.002 0.000 0.895 408 T CB 0.313 69.180 68.868 -0.002 0.000 1.221 408 T HN -0.009 nan 8.240 nan 0.000 0.512 409 M N 2.810 122.456 119.600 0.076 0.000 2.157 409 M HA 0.713 5.192 4.480 -0.001 0.000 0.354 409 M C -0.448 175.940 176.300 0.146 0.000 1.170 409 M CA -0.776 54.589 55.300 0.107 0.000 1.060 409 M CB 1.268 33.947 32.600 0.131 0.000 1.615 409 M HN 0.274 nan 8.290 nan 0.000 0.460 410 A N 5.014 127.883 122.820 0.082 0.000 2.492 410 A HA 0.433 4.753 4.320 -0.001 0.000 0.254 410 A C -0.254 177.342 177.584 0.021 0.000 1.091 410 A CA -0.532 51.543 52.037 0.063 0.000 0.768 410 A CB -0.190 18.830 19.000 0.034 0.000 1.028 410 A HN 0.738 nan 8.150 nan 0.000 0.498 411 V N 2.900 122.804 119.914 -0.017 0.000 2.521 411 V HA 0.080 4.199 4.120 -0.001 0.000 0.286 411 V C 0.780 176.809 176.094 -0.109 0.000 1.034 411 V CA -0.052 62.151 62.300 -0.162 0.000 1.045 411 V CB 0.524 32.164 31.823 -0.305 0.000 0.974 411 V HN 0.951 nan 8.190 nan 0.000 0.480 412 E N 4.993 125.127 120.200 -0.110 0.000 1.861 412 E HA 0.277 4.626 4.350 -0.001 0.000 0.263 412 E C -0.585 175.984 176.600 -0.052 0.000 1.137 412 E CA -0.368 55.996 56.400 -0.059 0.000 0.944 412 E CB 0.192 29.865 29.700 -0.045 0.000 1.092 412 E HN 0.650 nan 8.360 nan 0.000 0.420 413 L N 6.147 127.345 121.223 -0.042 0.000 2.418 413 L HA 0.253 4.592 4.340 -0.001 0.000 0.274 413 L C -1.819 174.934 176.870 -0.195 0.000 1.135 413 L CA -1.885 52.917 54.840 -0.063 0.000 0.870 413 L CB 0.108 42.208 42.059 0.069 0.000 1.154 413 L HN 0.396 nan 8.230 nan 0.000 0.462 414 P HA 0.061 nan 4.420 nan 0.000 0.270 414 P C -0.163 176.992 177.300 -0.241 0.000 1.223 414 P CA -0.358 62.511 63.100 -0.384 0.000 0.785 414 P CB 0.667 32.027 31.700 -0.567 0.000 0.923 415 D N -0.436 119.892 120.400 -0.121 0.000 2.117 415 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 415 D C 1.854 178.161 176.300 0.011 0.000 0.987 415 D CA 1.884 55.863 54.000 -0.036 0.000 0.829 415 D CB -0.696 40.090 40.800 -0.024 0.000 0.961 415 D HN 0.389 nan 8.370 nan 0.000 0.460 416 S N -0.151 115.550 115.700 0.003 0.000 2.419 416 S HA -0.134 4.335 4.470 -0.001 0.000 0.233 416 S C 0.834 175.570 174.600 0.227 0.000 1.016 416 S CA -0.044 58.205 58.200 0.082 0.000 0.974 416 S CB -0.913 62.326 63.200 0.064 0.000 0.786 416 S HN 0.204 nan 8.310 nan 0.000 0.492 417 F N 3.695 123.639 119.950 -0.010 0.000 2.607 417 F HA 0.085 4.611 4.527 -0.002 0.000 0.374 417 F C 1.470 177.272 175.800 0.003 0.000 1.104 417 F CA -0.304 57.690 58.000 -0.010 0.000 1.296 417 F CB 0.409 39.397 39.000 -0.021 0.000 1.085 417 F HN 0.299 nan 8.300 nan 0.000 0.584 418 S N 3.730 119.516 115.700 0.144 0.000 2.584 418 S HA 0.116 4.586 4.470 -0.001 0.000 0.270 418 S C -1.883 172.765 174.600 0.080 0.000 1.346 418 S CA -1.254 56.998 58.200 0.088 0.000 1.018 418 S CB 1.279 64.515 63.200 0.060 0.000 0.899 418 S HN 0.354 nan 8.310 nan 0.000 0.542 419 P HA -0.096 nan 4.420 nan 0.000 0.217 419 P C 1.007 178.332 177.300 0.042 0.000 1.148 419 P CA 1.253 64.383 63.100 0.050 0.000 0.828 419 P CB -0.003 31.719 31.700 0.037 0.000 0.783 420 E N -0.797 119.434 120.200 0.051 0.000 2.051 420 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 420 E C 1.831 178.457 176.600 0.042 0.000 0.991 420 E CA 0.774 57.217 56.400 0.071 0.000 0.799 420 E CB -1.269 28.496 29.700 0.108 0.000 0.748 420 E HN 0.106 nan 8.360 nan 0.000 0.449 421 L N 1.116 122.336 121.223 -0.005 0.000 2.017 421 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 421 L C 1.854 178.613 176.870 -0.184 0.000 1.073 421 L CA 1.777 56.443 54.840 -0.289 0.000 0.745 421 L CB -0.431 41.373 42.059 -0.426 0.000 0.894 421 L HN -0.038 nan 8.230 nan 0.000 0.432 422 R N -0.814 119.675 120.500 -0.019 0.000 2.080 422 R HA -0.189 4.150 4.340 -0.001 0.000 0.236 422 R C 2.468 178.770 176.300 0.003 0.000 1.137 422 R CA 1.637 57.766 56.100 0.049 0.000 0.943 422 R CB -0.995 29.355 30.300 0.083 0.000 0.846 422 R HN 0.523 nan 8.270 nan 0.000 0.431 423 S N 1.107 116.806 115.700 -0.002 0.000 2.380 423 S HA -0.216 4.253 4.470 -0.001 0.000 0.229 423 S C 1.941 176.526 174.600 -0.024 0.000 1.050 423 S CA 1.731 59.930 58.200 -0.002 0.000 1.100 423 S CB -0.344 62.862 63.200 0.011 0.000 0.984 423 S HN 0.283 nan 8.310 nan 0.000 0.434 424 L N 1.252 122.433 121.223 -0.070 0.000 2.012 424 L HA 0.050 4.390 4.340 -0.001 0.000 0.210 424 L C 2.292 179.110 176.870 -0.087 0.000 1.073 424 L CA 1.862 56.643 54.840 -0.098 0.000 0.748 424 L CB -0.772 41.133 42.059 -0.258 0.000 0.891 424 L HN 0.481 nan 8.230 nan 0.000 0.431 425 L N -1.000 120.160 121.223 -0.105 0.000 2.179 425 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 425 L C 2.487 179.337 176.870 -0.034 0.000 1.096 425 L CA 0.914 55.716 54.840 -0.063 0.000 0.779 425 L CB -0.476 41.574 42.059 -0.016 0.000 0.922 425 L HN 0.339 nan 8.230 nan 0.000 0.443 426 E N 0.115 120.308 120.200 -0.011 0.000 2.110 426 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 426 E C 2.194 178.799 176.600 0.010 0.000 0.988 426 E CA 1.063 57.465 56.400 0.004 0.000 0.804 426 E CB -0.266 29.443 29.700 0.015 0.000 0.745 426 E HN 0.562 nan 8.360 nan 0.000 0.458 427 G N 1.522 110.323 108.800 0.002 0.000 2.459 427 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 427 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 427 G C 1.589 176.506 174.900 0.028 0.000 1.183 427 G CA 0.596 45.701 45.100 0.009 0.000 0.776 427 G HN 0.086 nan 8.290 nan 0.000 0.552 428 L N -0.176 121.059 121.223 0.019 0.000 2.156 428 L HA 0.147 4.487 4.340 -0.001 0.000 0.208 428 L C 2.274 179.152 176.870 0.012 0.000 1.095 428 L CA 0.397 55.272 54.840 0.057 0.000 0.770 428 L CB -0.188 41.905 42.059 0.057 0.000 0.914 428 L HN 0.137 nan 8.230 nan 0.000 0.439 429 L N -0.423 120.749 121.223 -0.084 0.000 2.629 429 L HA 0.082 4.422 4.340 -0.001 0.000 0.230 429 L C 0.540 177.507 176.870 0.162 0.000 1.151 429 L CA -0.352 54.363 54.840 -0.208 0.000 0.924 429 L CB -0.178 41.732 42.059 -0.248 0.000 1.137 429 L HN 0.162 nan 8.230 nan 0.000 0.457 430 Q N 0.993 120.903 119.800 0.183 0.000 2.244 430 Q HA -0.012 4.327 4.340 -0.001 0.000 0.278 430 Q C 1.210 177.361 176.000 0.252 0.000 1.093 430 Q CA 0.494 56.406 55.803 0.182 0.000 0.916 430 Q CB 0.608 29.416 28.738 0.117 0.000 1.159 430 Q HN 0.158 nan 8.270 nan 0.000 0.384 431 R N 2.187 122.812 120.500 0.207 0.000 2.127 431 R HA -0.089 4.250 4.340 -0.001 0.000 0.238 431 R C -0.314 176.011 176.300 0.042 0.000 1.134 431 R CA 1.026 57.199 56.100 0.123 0.000 0.975 431 R CB 0.298 30.639 30.300 0.068 0.000 0.865 431 R HN 0.649 nan 8.270 nan 0.000 0.447 432 D N -0.180 120.254 120.400 0.056 0.000 2.277 432 D HA 0.031 4.670 4.640 -0.001 0.000 0.249 432 D C 1.106 177.435 176.300 0.048 0.000 1.134 432 D CA -0.078 53.942 54.000 0.034 0.000 0.863 432 D CB 1.958 42.776 40.800 0.030 0.000 1.143 432 D HN -0.222 nan 8.370 nan 0.000 0.458 433 V N 3.138 123.072 119.914 0.033 0.000 2.407 433 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 433 V C 1.935 178.057 176.094 0.048 0.000 1.055 433 V CA 1.749 64.079 62.300 0.049 0.000 1.049 433 V CB -0.637 31.207 31.823 0.036 0.000 0.662 433 V HN 0.560 nan 8.190 nan 0.000 0.455 434 N N 0.572 119.293 118.700 0.034 0.000 2.550 434 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 434 N C 1.611 177.137 175.510 0.027 0.000 1.110 434 N CA 1.010 54.077 53.050 0.028 0.000 0.912 434 N CB -0.354 38.146 38.487 0.021 0.000 0.968 434 N HN 0.418 nan 8.380 nan 0.000 0.448 435 R N -0.840 119.680 120.500 0.034 0.000 2.437 435 R HA 0.216 4.556 4.340 -0.001 0.000 0.257 435 R C 0.114 176.436 176.300 0.037 0.000 0.927 435 R CA -0.359 55.760 56.100 0.032 0.000 1.078 435 R CB 0.601 30.922 30.300 0.035 0.000 1.161 435 R HN 0.152 nan 8.270 nan 0.000 0.529 436 R N 1.329 121.860 120.500 0.051 0.000 2.404 436 R HA 0.227 4.566 4.340 -0.001 0.000 0.291 436 R C -0.474 175.833 176.300 0.013 0.000 1.025 436 R CA -0.391 55.749 56.100 0.066 0.000 0.991 436 R CB 0.733 31.112 30.300 0.132 0.000 1.053 436 R HN -0.002 nan 8.270 nan 0.000 0.479 437 L N 3.922 125.134 121.223 -0.019 0.000 2.499 437 L HA 0.056 4.395 4.340 -0.001 0.000 0.273 437 L C 1.237 177.927 176.870 -0.300 0.000 1.195 437 L CA 1.579 56.346 54.840 -0.123 0.000 0.882 437 L CB 0.905 42.899 42.059 -0.109 0.000 1.133 437 L HN 1.132 nan 8.230 nan 0.000 0.483 438 G N 2.094 110.642 108.800 -0.419 0.000 2.199 438 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.254 438 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.254 438 G C 0.464 175.224 174.900 -0.233 0.000 0.982 438 G CA 0.142 44.808 45.100 -0.724 0.000 0.632 438 G HN 0.680 nan 8.290 nan 0.000 0.529 439 C N 0.725 119.986 119.300 -0.064 0.000 2.994 439 C HA 0.566 5.026 4.460 -0.001 0.000 0.284 439 C C 1.783 176.790 174.990 0.027 0.000 1.404 439 C CA -0.003 59.051 59.018 0.059 0.000 1.775 439 C CB -0.843 26.964 27.740 0.112 0.000 2.458 439 C HN 0.458 nan 8.230 nan 0.000 0.593 440 L N 0.791 122.008 121.223 -0.010 0.000 2.700 440 L HA 0.342 4.681 4.340 -0.001 0.000 0.234 440 L C 1.737 178.607 176.870 -0.000 0.000 1.156 440 L CA 0.893 55.730 54.840 -0.005 0.000 0.946 440 L CB -0.106 41.941 42.059 -0.021 0.000 1.216 440 L HN 0.562 nan 8.230 nan 0.000 0.493 441 G N 0.409 109.216 108.800 0.012 0.000 2.428 441 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.199 441 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.199 441 G C 1.024 175.933 174.900 0.016 0.000 1.005 441 G CA -0.350 44.764 45.100 0.022 0.000 0.671 441 G HN 0.312 nan 8.290 nan 0.000 0.485 442 R N 0.807 121.299 120.500 -0.013 0.000 2.437 442 R HA 0.457 4.796 4.340 -0.001 0.000 0.257 442 R C 1.694 177.971 176.300 -0.038 0.000 0.927 442 R CA 0.749 56.833 56.100 -0.028 0.000 1.078 442 R CB 0.737 31.005 30.300 -0.053 0.000 1.161 442 R HN 1.178 nan 8.270 nan 0.000 0.529 443 G N 1.392 110.179 108.800 -0.023 0.000 2.583 443 G HA2 -0.471 3.488 3.960 -0.001 0.000 0.292 443 G HA3 -0.471 3.488 3.960 -0.001 0.000 0.292 443 G C 0.953 175.762 174.900 -0.152 0.000 1.203 443 G CA 0.331 45.458 45.100 0.045 0.000 0.987 443 G HN 0.307 nan 8.290 nan 0.000 0.554 444 A N -1.339 121.485 122.820 0.006 0.000 1.948 444 A HA -0.110 4.209 4.320 -0.001 0.000 0.220 444 A C 2.364 179.741 177.584 -0.345 0.000 1.177 444 A CA 3.141 55.080 52.037 -0.163 0.000 0.636 444 A CB -0.611 18.417 19.000 0.047 0.000 0.815 444 A HN 1.326 nan 8.150 nan 0.000 0.449 445 Q N 0.171 119.814 119.800 -0.262 0.000 2.135 445 Q HA -0.211 4.129 4.340 -0.001 0.000 0.204 445 Q C 1.759 177.598 176.000 -0.269 0.000 0.981 445 Q CA 2.336 57.966 55.803 -0.288 0.000 0.856 445 Q CB -0.408 28.218 28.738 -0.187 0.000 0.902 445 Q HN 0.777 nan 8.270 nan 0.000 0.425 446 E N -1.088 118.965 120.200 -0.244 0.000 2.077 446 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 446 E C 1.929 178.402 176.600 -0.213 0.000 0.989 446 E CA 1.568 57.844 56.400 -0.205 0.000 0.800 446 E CB -0.008 29.569 29.700 -0.205 0.000 0.746 446 E HN 0.265 nan 8.360 nan 0.000 0.452 447 V N 1.682 121.394 119.914 -0.337 0.000 2.307 447 V HA -0.261 3.858 4.120 -0.001 0.000 0.245 447 V C 2.072 178.101 176.094 -0.109 0.000 1.045 447 V CA 1.748 63.903 62.300 -0.242 0.000 1.024 447 V CB -0.564 31.005 31.823 -0.423 0.000 0.651 447 V HN 0.177 nan 8.190 nan 0.000 0.449 448 K N 1.036 121.194 120.400 -0.403 0.000 2.113 448 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 448 K C 1.900 178.471 176.600 -0.048 0.000 1.047 448 K CA 1.913 57.818 56.287 -0.637 0.000 0.928 448 K CB -0.271 31.399 32.500 -1.384 0.000 0.716 448 K HN 0.806 nan 8.250 nan 0.000 0.446 449 E N 1.252 121.416 120.200 -0.061 0.000 2.445 449 E HA 0.017 4.366 4.350 -0.001 0.000 0.189 449 E C 0.091 176.767 176.600 0.126 0.000 1.069 449 E CA -0.171 56.265 56.400 0.061 0.000 0.871 449 E CB 0.303 29.994 29.700 -0.015 0.000 0.991 449 E HN -0.058 nan 8.360 nan 0.000 0.481 450 S N 2.300 118.118 115.700 0.196 0.000 2.563 450 S HA 0.030 4.499 4.470 -0.001 0.000 0.284 450 S C -1.231 173.495 174.600 0.211 0.000 1.331 450 S CA -1.125 57.196 58.200 0.202 0.000 1.047 450 S CB 0.886 64.240 63.200 0.257 0.000 0.859 450 S HN 0.092 nan 8.310 nan 0.000 0.514 451 P HA -0.031 nan 4.420 nan 0.000 0.230 451 P C 1.177 178.501 177.300 0.041 0.000 1.158 451 P CA 0.585 63.732 63.100 0.078 0.000 0.769 451 P CB -0.102 31.627 31.700 0.049 0.000 0.807 452 F N 0.505 120.357 119.950 -0.163 0.000 2.216 452 F HA -0.069 4.457 4.527 -0.001 0.000 0.300 452 F C 1.310 176.858 175.800 -0.419 0.000 1.085 452 F CA 1.315 59.088 58.000 -0.379 0.000 1.326 452 F CB -0.509 38.108 39.000 -0.638 0.000 1.027 452 F HN -0.271 nan 8.300 nan 0.000 0.497 453 F N -0.311 119.659 119.950 0.033 0.000 2.645 453 F HA 0.264 4.791 4.527 -0.001 0.000 0.300 453 F C 1.874 177.639 175.800 -0.059 0.000 1.115 453 F CA -0.248 57.714 58.000 -0.062 0.000 1.355 453 F CB -0.624 38.534 39.000 0.264 0.000 1.026 453 F HN -0.227 nan 8.300 nan 0.000 0.536 454 R N 1.274 121.808 120.500 0.058 0.000 2.133 454 R HA -0.202 4.138 4.340 -0.001 0.000 0.247 454 R C 2.222 178.521 176.300 -0.001 0.000 1.151 454 R CA 2.076 58.204 56.100 0.046 0.000 0.971 454 R CB -0.655 29.644 30.300 -0.002 0.000 0.866 454 R HN 0.292 nan 8.270 nan 0.000 0.447 455 S N -0.821 114.827 115.700 -0.086 0.000 2.522 455 S HA 0.070 4.539 4.470 -0.001 0.000 0.227 455 S C 0.621 175.154 174.600 -0.112 0.000 0.986 455 S CA 0.072 58.212 58.200 -0.100 0.000 0.929 455 S CB -0.178 62.931 63.200 -0.151 0.000 0.769 455 S HN 0.173 nan 8.310 nan 0.000 0.529 456 L N 2.402 123.513 121.223 -0.187 0.000 2.312 456 L HA 0.444 4.783 4.340 -0.001 0.000 0.281 456 L C -0.140 176.627 176.870 -0.172 0.000 1.070 456 L CA -0.687 53.954 54.840 -0.332 0.000 0.805 456 L CB 0.800 42.368 42.059 -0.818 0.000 1.174 456 L HN 0.103 nan 8.230 nan 0.000 0.434 457 D N 2.156 122.573 120.400 0.029 0.000 2.339 457 D HA 0.033 4.673 4.640 -0.001 0.000 0.241 457 D C 0.291 176.655 176.300 0.106 0.000 1.183 457 D CA -0.225 53.834 54.000 0.097 0.000 0.859 457 D CB 0.834 41.697 40.800 0.105 0.000 1.067 457 D HN 0.345 nan 8.370 nan 0.000 0.484 458 W N 2.492 123.847 121.300 0.092 0.000 2.699 458 W HA -0.035 4.624 4.660 -0.001 0.000 0.249 458 W C 2.138 178.731 176.519 0.123 0.000 1.280 458 W CA -0.177 57.217 57.345 0.083 0.000 1.345 458 W CB 0.065 29.528 29.460 0.006 0.000 1.128 458 W HN 0.440 nan 8.180 nan 0.000 0.642 459 Q N 0.269 120.233 119.800 0.274 0.000 2.079 459 Q HA -0.151 4.188 4.340 -0.001 0.000 0.200 459 Q C 2.060 178.188 176.000 0.214 0.000 0.974 459 Q CA 1.600 57.521 55.803 0.196 0.000 0.840 459 Q CB -0.485 28.306 28.738 0.089 0.000 0.898 459 Q HN 0.109 nan 8.270 nan 0.000 0.430 460 M N -0.676 119.009 119.600 0.142 0.000 2.159 460 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 460 M C 2.076 178.464 176.300 0.147 0.000 1.063 460 M CA 0.897 56.211 55.300 0.023 0.000 1.110 460 M CB -0.885 31.580 32.600 -0.225 0.000 1.374 460 M HN 0.098 nan 8.290 nan 0.000 0.411 461 V N -0.096 120.016 119.914 0.330 0.000 2.295 461 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 461 V C 2.233 178.552 176.094 0.376 0.000 1.049 461 V CA 1.861 64.352 62.300 0.319 0.000 1.024 461 V CB -0.945 30.899 31.823 0.035 0.000 0.648 461 V HN 0.254 nan 8.190 nan 0.000 0.447 462 F N 0.257 120.383 119.950 0.294 0.000 2.126 462 F HA -0.165 4.361 4.527 -0.001 0.000 0.299 462 F C 1.936 177.893 175.800 0.263 0.000 1.096 462 F CA 1.625 59.869 58.000 0.406 0.000 1.255 462 F CB -0.116 39.045 39.000 0.270 0.000 0.997 462 F HN 0.021 nan 8.300 nan 0.000 0.479 463 L N 0.282 121.709 121.223 0.339 0.000 2.675 463 L HA -0.075 4.264 4.340 -0.001 0.000 0.238 463 L C 0.404 177.278 176.870 0.006 0.000 1.155 463 L CA 0.469 55.390 54.840 0.136 0.000 0.881 463 L CB -0.969 41.152 42.059 0.103 0.000 1.008 463 L HN 0.297 nan 8.230 nan 0.000 0.443 464 Q N -0.072 119.767 119.800 0.064 0.000 2.463 464 Q HA -0.212 4.127 4.340 -0.001 0.000 0.299 464 Q C 0.674 176.688 176.000 0.022 0.000 1.353 464 Q CA 0.296 56.079 55.803 -0.032 0.000 0.828 464 Q CB -0.624 27.834 28.738 -0.466 0.000 1.157 464 Q HN 0.332 nan 8.270 nan 0.000 0.436 465 K N -0.851 119.592 120.400 0.072 0.000 2.380 465 K HA 0.127 4.446 4.320 -0.001 0.000 0.198 465 K C -0.072 176.464 176.600 -0.107 0.000 1.070 465 K CA 0.370 56.616 56.287 -0.068 0.000 1.040 465 K CB 0.552 32.934 32.500 -0.196 0.000 0.903 465 K HN 0.261 nan 8.250 nan 0.000 0.549 466 Y N 2.914 123.316 120.300 0.169 0.000 2.336 466 Y HA 0.106 4.655 4.550 -0.001 0.000 0.331 466 Y C -1.840 174.062 175.900 0.002 0.000 1.211 466 Y CA -2.045 56.113 58.100 0.097 0.000 1.346 466 Y CB 0.237 38.795 38.460 0.164 0.000 1.271 466 Y HN -0.028 nan 8.280 nan 0.000 0.538 467 P HA 0.182 nan 4.420 nan 0.000 0.287 467 P C -2.676 174.242 177.300 -0.635 0.000 1.294 467 P CA -1.718 61.248 63.100 -0.222 0.000 0.776 467 P CB 0.774 32.385 31.700 -0.149 0.000 0.889 468 P HA 0.081 nan 4.420 nan 0.000 0.268 468 P C -1.433 175.433 177.300 -0.722 0.000 1.205 468 P CA -1.020 61.331 63.100 -1.248 0.000 0.771 468 P CB -0.379 30.860 31.700 -0.769 0.000 0.858 469 P HA 0.036 nan 4.420 nan 0.000 0.229 469 P C -0.114 177.104 177.300 -0.136 0.000 1.160 469 P CA 0.982 63.882 63.100 -0.335 0.000 0.777 469 P CB 0.612 32.135 31.700 -0.295 0.000 0.814 470 L N -0.046 121.104 121.223 -0.122 0.000 2.528 470 L HA 0.453 4.792 4.340 -0.001 0.000 0.267 470 L C -1.045 175.784 176.870 -0.067 0.000 0.961 470 L CA -0.788 54.028 54.840 -0.040 0.000 0.866 470 L CB 1.884 43.955 42.059 0.020 0.000 1.248 470 L HN -0.314 nan 8.230 nan 0.000 0.404 471 I N 6.464 127.010 120.570 -0.040 0.000 2.297 471 I HA 0.335 4.505 4.170 -0.001 0.000 0.291 471 I C -1.853 174.266 176.117 0.003 0.000 1.033 471 I CA -1.770 59.524 61.300 -0.011 0.000 1.253 471 I CB 1.107 39.114 38.000 0.012 0.000 1.396 471 I HN 0.434 nan 8.210 nan 0.000 0.476 472 P HA 0.070 nan 4.420 nan 0.000 0.267 472 P C -1.992 175.366 177.300 0.097 0.000 1.200 472 P CA -0.587 62.569 63.100 0.093 0.000 0.772 472 P CB 0.094 31.879 31.700 0.142 0.000 0.855 473 P HA 0.211 nan 4.420 nan 0.000 0.203 473 P C -0.365 176.976 177.300 0.068 0.000 1.206 473 P CA 0.796 63.951 63.100 0.091 0.000 0.896 473 P CB 0.477 32.241 31.700 0.106 0.000 0.728 474 R N -0.928 119.614 120.500 0.069 0.000 3.008 474 R HA 0.616 4.955 4.340 -0.001 0.000 0.284 474 R C -0.935 175.390 176.300 0.043 0.000 1.187 474 R CA 0.332 56.460 56.100 0.047 0.000 1.139 474 R CB 0.760 31.083 30.300 0.038 0.000 1.273 474 R HN 0.631 nan 8.270 nan 0.000 0.410 494 K N 0.621 121.030 120.400 0.014 0.000 2.764 494 K HA 0.565 4.885 4.320 -0.001 0.000 0.239 494 K C 0.171 176.776 176.600 0.008 0.000 1.048 494 K CA -1.016 55.278 56.287 0.011 0.000 1.057 494 K CB 1.548 34.054 32.500 0.010 0.000 1.251 494 K HN 0.899 nan 8.250 nan 0.000 0.524 495 G N 2.523 111.328 108.800 0.008 0.000 4.044 495 G HA2 0.285 4.244 3.960 -0.001 0.000 0.297 495 G HA3 0.285 4.244 3.960 -0.001 0.000 0.297 495 G C -0.469 174.434 174.900 0.004 0.000 1.101 495 G CA -0.000 45.103 45.100 0.006 0.000 0.884 495 G HN 0.515 nan 8.290 nan 0.000 0.538 496 I N -0.148 120.424 120.570 0.004 0.000 2.689 496 I HA 0.575 4.745 4.170 -0.001 0.000 0.299 496 I C -1.058 175.059 176.117 -0.001 0.000 1.059 496 I CA -1.167 60.134 61.300 0.002 0.000 1.055 496 I CB 2.178 40.179 38.000 0.003 0.000 1.243 496 I HN -0.083 nan 8.210 nan 0.000 0.425 497 K N 7.120 127.519 120.400 -0.002 0.000 2.207 497 K HA 0.526 4.845 4.320 -0.001 0.000 0.255 497 K C -1.354 175.245 176.600 -0.002 0.000 0.941 497 K CA -0.664 55.622 56.287 -0.002 0.000 0.825 497 K CB 2.059 34.558 32.500 -0.002 0.000 1.119 497 K HN 0.482 nan 8.250 nan 0.000 0.430 498 L N 4.690 125.912 121.223 -0.001 0.000 2.270 498 L HA 0.302 4.642 4.340 -0.001 0.000 0.286 498 L C -0.462 176.412 176.870 0.006 0.000 1.059 498 L CA -0.520 54.323 54.840 0.004 0.000 0.839 498 L CB 0.131 42.192 42.059 0.003 0.000 1.221 498 L HN 0.391 nan 8.230 nan 0.000 0.431 499 L N 1.885 123.111 121.223 0.005 0.000 2.439 499 L HA 0.222 4.562 4.340 -0.001 0.000 0.259 499 L C 1.455 178.329 176.870 0.007 0.000 1.129 499 L CA -0.553 54.289 54.840 0.003 0.000 0.803 499 L CB 0.676 42.733 42.059 -0.003 0.000 1.161 499 L HN 0.506 nan 8.230 nan 0.000 0.462 500 D N 0.195 120.597 120.400 0.004 0.000 2.149 500 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 500 D C 2.002 178.304 176.300 0.003 0.000 1.001 500 D CA 2.014 56.018 54.000 0.007 0.000 0.849 500 D CB 0.330 41.132 40.800 0.003 0.000 0.939 500 D HN 0.569 nan 8.370 nan 0.000 0.449 501 S N -0.256 115.439 115.700 -0.008 0.000 2.368 501 S HA -0.137 4.332 4.470 -0.001 0.000 0.224 501 S C 1.509 176.085 174.600 -0.041 0.000 1.029 501 S CA 1.336 59.523 58.200 -0.022 0.000 0.988 501 S CB -0.158 63.027 63.200 -0.025 0.000 0.838 501 S HN 0.223 nan 8.310 nan 0.000 0.462 502 D N 0.898 121.280 120.400 -0.031 0.000 2.123 502 D HA -0.104 4.536 4.640 -0.001 0.000 0.196 502 D C 2.100 178.374 176.300 -0.043 0.000 0.992 502 D CA 0.994 54.966 54.000 -0.046 0.000 0.833 502 D CB -0.302 40.501 40.800 0.005 0.000 0.954 502 D HN 0.496 nan 8.370 nan 0.000 0.455 503 Q N 0.481 120.308 119.800 0.046 0.000 2.224 503 Q HA -0.139 4.200 4.340 -0.001 0.000 0.203 503 Q C 1.861 177.899 176.000 0.062 0.000 0.970 503 Q CA 0.636 56.522 55.803 0.139 0.000 0.865 503 Q CB -0.183 28.630 28.738 0.124 0.000 0.922 503 Q HN 0.337 nan 8.270 nan 0.000 0.445 504 E N 0.804 120.994 120.200 -0.017 0.000 2.338 504 E HA -0.066 4.284 4.350 -0.001 0.000 0.197 504 E C 1.626 178.159 176.600 -0.111 0.000 1.007 504 E CA 0.281 56.661 56.400 -0.033 0.000 0.849 504 E CB -0.136 29.546 29.700 -0.030 0.000 0.774 504 E HN 0.284 nan 8.360 nan 0.000 0.506 505 L N -0.451 120.608 121.223 -0.273 0.000 2.376 505 L HA -0.091 4.248 4.340 -0.001 0.000 0.219 505 L C 0.661 177.227 176.870 -0.507 0.000 1.133 505 L CA 0.667 55.232 54.840 -0.458 0.000 0.816 505 L CB -0.006 41.620 42.059 -0.721 0.000 0.933 505 L HN 0.238 nan 8.230 nan 0.000 0.449 506 Y N -2.346 117.914 120.300 -0.067 0.000 2.682 506 Y HA 0.233 4.782 4.550 -0.001 0.000 0.251 506 Y C 1.947 177.774 175.900 -0.123 0.000 1.172 506 Y CA -0.674 57.332 58.100 -0.156 0.000 1.186 506 Y CB -0.152 38.083 38.460 -0.374 0.000 1.216 506 Y HN -0.096 nan 8.280 nan 0.000 0.540 507 R N 0.608 121.166 120.500 0.097 0.000 2.092 507 R HA -0.051 4.288 4.340 -0.001 0.000 0.231 507 R C 0.158 176.532 176.300 0.123 0.000 1.119 507 R CA 1.122 57.299 56.100 0.128 0.000 0.970 507 R CB 0.044 30.402 30.300 0.096 0.000 0.864 507 R HN 0.278 nan 8.270 nan 0.000 0.440 508 N N 0.098 118.860 118.700 0.103 0.000 2.376 508 N HA -0.011 4.728 4.740 -0.001 0.000 0.249 508 N C 0.314 175.893 175.510 0.116 0.000 1.140 508 N CA 0.069 53.178 53.050 0.097 0.000 0.870 508 N CB 0.145 38.673 38.487 0.068 0.000 1.124 508 N HN 0.129 nan 8.380 nan 0.000 0.505 509 F N 1.813 121.731 119.950 -0.053 0.000 2.317 509 F HA 0.288 4.814 4.527 -0.001 0.000 0.293 509 F C -1.512 174.279 175.800 -0.016 0.000 1.085 509 F CA -0.591 57.364 58.000 -0.076 0.000 1.390 509 F CB -0.582 38.265 39.000 -0.255 0.000 1.077 509 F HN -0.113 nan 8.300 nan 0.000 0.517 510 P HA 0.168 nan 4.420 nan 0.000 0.265 510 P C -1.146 176.164 177.300 0.017 0.000 1.193 510 P CA 0.585 63.760 63.100 0.125 0.000 0.765 510 P CB 1.040 32.889 31.700 0.248 0.000 0.823 511 L N 2.821 124.056 121.223 0.021 0.000 2.518 511 L HA 0.569 4.908 4.340 -0.001 0.000 0.257 511 L C -1.088 175.825 176.870 0.073 0.000 0.980 511 L CA 0.048 54.896 54.840 0.013 0.000 0.837 511 L CB 2.437 44.473 42.059 -0.040 0.000 1.410 511 L HN 0.222 nan 8.230 nan 0.000 0.410 512 T N 4.151 118.730 114.554 0.042 0.000 2.937 512 T HA 0.554 4.903 4.350 -0.001 0.000 0.297 512 T C -0.528 174.172 174.700 -0.000 0.000 0.991 512 T CA -0.140 61.991 62.100 0.052 0.000 0.990 512 T CB 0.942 69.838 68.868 0.047 0.000 0.991 512 T HN 0.368 nan 8.240 nan 0.000 0.440 513 I N 2.843 123.392 120.570 -0.034 0.000 2.347 513 I HA 0.127 4.296 4.170 -0.001 0.000 0.294 513 I C 1.787 177.922 176.117 0.030 0.000 1.090 513 I CA -0.016 61.277 61.300 -0.011 0.000 1.314 513 I CB 1.192 39.174 38.000 -0.031 0.000 1.423 513 I HN 0.676 nan 8.210 nan 0.000 0.503 514 S N 5.141 120.876 115.700 0.059 0.000 2.359 514 S HA -0.263 4.207 4.470 -0.001 0.000 0.223 514 S C 1.948 176.643 174.600 0.158 0.000 1.039 514 S CA 2.282 60.553 58.200 0.119 0.000 1.042 514 S CB -0.105 63.155 63.200 0.099 0.000 0.915 514 S HN 0.827 nan 8.310 nan 0.000 0.439 515 E N 0.138 120.392 120.200 0.090 0.000 2.204 515 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 515 E C 2.207 178.832 176.600 0.042 0.000 0.989 515 E CA 0.648 57.085 56.400 0.061 0.000 0.824 515 E CB -0.231 29.489 29.700 0.033 0.000 0.756 515 E HN 0.376 nan 8.360 nan 0.000 0.477 516 R N 0.174 120.698 120.500 0.041 0.000 2.066 516 R HA -0.130 4.209 4.340 -0.001 0.000 0.232 516 R C 1.903 178.238 176.300 0.058 0.000 1.131 516 R CA 1.591 57.700 56.100 0.015 0.000 0.955 516 R CB -0.814 29.451 30.300 -0.058 0.000 0.851 516 R HN 0.410 nan 8.270 nan 0.000 0.432 517 W N 2.449 123.706 121.300 -0.072 0.000 2.381 517 W HA -0.153 4.507 4.660 -0.001 0.000 0.301 517 W C 2.118 178.647 176.519 0.016 0.000 1.205 517 W CA 1.301 58.664 57.345 0.031 0.000 1.285 517 W CB -0.144 29.369 29.460 0.088 0.000 1.133 517 W HN 0.103 nan 8.180 nan 0.000 0.521 518 Q N -0.343 119.472 119.800 0.025 0.000 2.124 518 Q HA -0.287 4.052 4.340 -0.001 0.000 0.202 518 Q C 2.130 177.922 176.000 -0.346 0.000 0.977 518 Q CA 1.775 57.425 55.803 -0.255 0.000 0.850 518 Q CB -0.401 28.314 28.738 -0.038 0.000 0.901 518 Q HN 0.270 nan 8.270 nan 0.000 0.429 519 Q N 1.276 120.962 119.800 -0.191 0.000 2.079 519 Q HA -0.195 4.144 4.340 -0.001 0.000 0.200 519 Q C 1.662 177.551 176.000 -0.185 0.000 0.974 519 Q CA 1.801 57.501 55.803 -0.172 0.000 0.840 519 Q CB -0.127 28.555 28.738 -0.094 0.000 0.898 519 Q HN 0.384 nan 8.270 nan 0.000 0.430 520 E N -0.956 119.152 120.200 -0.153 0.000 2.033 520 E HA -0.207 4.142 4.350 -0.001 0.000 0.199 520 E C 1.823 178.288 176.600 -0.225 0.000 1.011 520 E CA 1.998 58.325 56.400 -0.122 0.000 0.815 520 E CB -0.132 29.577 29.700 0.014 0.000 0.755 520 E HN 0.270 nan 8.360 nan 0.000 0.451 521 V N 1.274 120.916 119.914 -0.453 0.000 2.295 521 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 521 V C 2.516 178.395 176.094 -0.358 0.000 1.049 521 V CA 1.850 63.867 62.300 -0.471 0.000 1.024 521 V CB -0.948 30.353 31.823 -0.870 0.000 0.648 521 V HN 0.512 nan 8.190 nan 0.000 0.447 522 A N 0.839 123.376 122.820 -0.472 0.000 1.892 522 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 522 A C 2.129 179.620 177.584 -0.156 0.000 1.188 522 A CA 2.144 53.940 52.037 -0.401 0.000 0.631 522 A CB -0.500 18.274 19.000 -0.376 0.000 0.822 522 A HN 0.810 nan 8.150 nan 0.000 0.447 523 E N -0.624 119.498 120.200 -0.130 0.000 2.465 523 E HA 0.036 4.385 4.350 -0.001 0.000 0.191 523 E C 0.994 177.574 176.600 -0.034 0.000 1.053 523 E CA 0.931 57.292 56.400 -0.066 0.000 0.869 523 E CB -0.107 29.550 29.700 -0.072 0.000 0.977 523 E HN 0.673 nan 8.360 nan 0.000 0.483 524 T N -2.024 112.516 114.554 -0.024 0.000 3.426 524 T HA 0.072 4.421 4.350 -0.001 0.000 0.195 524 T C 1.664 176.393 174.700 0.048 0.000 0.963 524 T CA 0.664 62.769 62.100 0.008 0.000 1.154 524 T CB -0.258 68.612 68.868 0.003 0.000 1.377 524 T HN 0.117 nan 8.240 nan 0.000 0.342 525 V N -1.177 118.782 119.914 0.075 0.000 3.605 525 V HA 0.449 4.568 4.120 -0.001 0.000 0.284 525 V C 1.920 178.132 176.094 0.196 0.000 1.386 525 V CA -0.080 62.293 62.300 0.122 0.000 1.053 525 V CB -0.970 30.933 31.823 0.132 0.000 0.857 525 V HN 0.335 nan 8.190 nan 0.000 0.436 526 F N 3.106 123.047 119.950 -0.015 0.000 2.027 526 F HA -0.218 4.309 4.527 -0.001 0.000 0.297 526 F C 2.043 177.895 175.800 0.086 0.000 1.129 526 F CA 2.680 60.650 58.000 -0.051 0.000 1.195 526 F CB -0.513 38.324 39.000 -0.272 0.000 0.960 526 F HN 0.223 nan 8.300 nan 0.000 0.485 527 D N -0.555 119.895 120.400 0.084 0.000 2.116 527 D HA -0.197 4.443 4.640 -0.001 0.000 0.193 527 D C 2.409 178.709 176.300 0.001 0.000 0.998 527 D CA 2.519 56.517 54.000 -0.004 0.000 0.836 527 D CB -1.011 39.831 40.800 0.071 0.000 0.951 527 D HN 0.509 nan 8.370 nan 0.000 0.449 528 T N -1.379 113.203 114.554 0.046 0.000 2.904 528 T HA -0.005 4.344 4.350 -0.001 0.000 0.267 528 T C 2.229 176.957 174.700 0.046 0.000 1.059 528 T CA 0.453 62.579 62.100 0.043 0.000 1.137 528 T CB -0.366 68.531 68.868 0.048 0.000 0.879 528 T HN 0.155 nan 8.240 nan 0.000 0.467 529 I N 1.406 122.026 120.570 0.083 0.000 2.500 529 I HA -0.054 4.116 4.170 -0.001 0.000 0.252 529 I C 2.534 178.681 176.117 0.049 0.000 1.142 529 I CA 0.541 61.893 61.300 0.086 0.000 1.451 529 I CB -0.449 37.655 38.000 0.173 0.000 1.093 529 I HN 0.210 nan 8.210 nan 0.000 0.430 530 N N 1.552 120.270 118.700 0.029 0.000 2.069 530 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 530 N C 1.940 177.446 175.510 -0.008 0.000 1.031 530 N CA 1.810 54.850 53.050 -0.017 0.000 0.852 530 N CB -0.218 38.170 38.487 -0.165 0.000 1.018 530 N HN 0.339 nan 8.380 nan 0.000 0.423 531 A N 0.876 123.693 122.820 -0.004 0.000 1.897 531 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 531 A C 2.147 179.736 177.584 0.007 0.000 1.181 531 A CA 1.571 53.614 52.037 0.009 0.000 0.620 531 A CB -0.553 18.455 19.000 0.014 0.000 0.821 531 A HN 0.444 nan 8.150 nan 0.000 0.443 532 E N -0.160 120.043 120.200 0.006 0.000 2.110 532 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 532 E C 1.943 178.536 176.600 -0.011 0.000 0.988 532 E CA 1.936 58.337 56.400 0.001 0.000 0.804 532 E CB -0.199 29.503 29.700 0.003 0.000 0.745 532 E HN 0.678 nan 8.360 nan 0.000 0.458 533 T N -1.992 112.549 114.554 -0.023 0.000 3.054 533 T HA -0.031 4.318 4.350 -0.001 0.000 0.259 533 T C 1.213 175.900 174.700 -0.021 0.000 1.092 533 T CA 0.795 62.873 62.100 -0.037 0.000 1.121 533 T CB -0.100 68.720 68.868 -0.081 0.000 0.912 533 T HN 0.014 nan 8.240 nan 0.000 0.489 534 D N 1.336 121.732 120.400 -0.006 0.000 2.144 534 D HA -0.011 4.628 4.640 -0.001 0.000 0.199 534 D C 2.250 178.554 176.300 0.006 0.000 0.984 534 D CA 0.795 54.799 54.000 0.006 0.000 0.834 534 D CB -0.293 40.519 40.800 0.020 0.000 0.955 534 D HN 0.411 nan 8.370 nan 0.000 0.465 535 R N 0.022 120.525 120.500 0.005 0.000 2.073 535 R HA -0.056 4.283 4.340 -0.001 0.000 0.234 535 R C 2.397 178.699 176.300 0.003 0.000 1.134 535 R CA 0.815 56.919 56.100 0.006 0.000 0.952 535 R CB -0.247 30.056 30.300 0.005 0.000 0.850 535 R HN 0.166 nan 8.270 nan 0.000 0.433 536 L N 0.174 121.395 121.223 -0.003 0.000 2.027 536 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 536 L C 2.295 179.164 176.870 -0.001 0.000 1.074 536 L CA 1.551 56.388 54.840 -0.005 0.000 0.745 536 L CB -0.348 41.703 42.059 -0.013 0.000 0.898 536 L HN 0.256 nan 8.230 nan 0.000 0.433 537 E N -0.031 120.167 120.200 -0.003 0.000 2.077 537 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 537 E C 2.291 178.893 176.600 0.004 0.000 0.989 537 E CA 1.155 57.555 56.400 -0.001 0.000 0.800 537 E CB -0.192 29.506 29.700 -0.004 0.000 0.746 537 E HN 0.496 nan 8.360 nan 0.000 0.452 538 A N 1.222 124.046 122.820 0.006 0.000 1.933 538 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 538 A C 2.029 179.620 177.584 0.012 0.000 1.175 538 A CA 1.167 53.210 52.037 0.009 0.000 0.628 538 A CB -0.283 18.725 19.000 0.013 0.000 0.814 538 A HN 0.066 nan 8.150 nan 0.000 0.444 539 R N -0.680 119.826 120.500 0.011 0.000 2.073 539 R HA -0.082 4.257 4.340 -0.001 0.000 0.229 539 R C 2.344 178.653 176.300 0.015 0.000 1.120 539 R CA 1.517 57.624 56.100 0.012 0.000 0.967 539 R CB -0.268 30.037 30.300 0.009 0.000 0.862 539 R HN 0.578 nan 8.270 nan 0.000 0.436 540 K N 1.363 121.771 120.400 0.013 0.000 2.103 540 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 540 K C 2.061 178.674 176.600 0.021 0.000 1.048 540 K CA 1.509 57.806 56.287 0.016 0.000 0.930 540 K CB 0.046 32.555 32.500 0.015 0.000 0.716 540 K HN -0.055 nan 8.250 nan 0.000 0.444 541 K N -0.159 120.251 120.400 0.017 0.000 2.057 541 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 541 K C 1.925 178.549 176.600 0.040 0.000 1.049 541 K CA 1.238 57.536 56.287 0.019 0.000 0.931 541 K CB -0.152 32.349 32.500 0.003 0.000 0.714 541 K HN 0.241 nan 8.250 nan 0.000 0.440 542 A N 1.036 123.876 122.820 0.033 0.000 1.969 542 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 542 A C 1.955 179.562 177.584 0.038 0.000 1.169 542 A CA 1.497 53.556 52.037 0.038 0.000 0.635 542 A CB -0.268 18.748 19.000 0.027 0.000 0.810 542 A HN 0.292 nan 8.150 nan 0.000 0.445 543 K N -0.362 120.058 120.400 0.033 0.000 2.116 543 K HA -0.016 4.303 4.320 -0.001 0.000 0.203 543 K C 1.609 178.231 176.600 0.036 0.000 1.052 543 K CA 0.930 57.234 56.287 0.028 0.000 0.952 543 K CB -0.102 32.411 32.500 0.021 0.000 0.729 543 K HN 0.429 nan 8.250 nan 0.000 0.446 544 N N 0.829 119.560 118.700 0.051 0.000 2.309 544 N HA -0.146 4.594 4.740 -0.001 0.000 0.182 544 N C 1.517 177.092 175.510 0.109 0.000 1.018 544 N CA 0.900 53.995 53.050 0.075 0.000 0.876 544 N CB 0.117 38.655 38.487 0.084 0.000 0.972 544 N HN 0.100 nan 8.380 nan 0.000 0.434 545 K N 1.657 122.130 120.400 0.123 0.000 2.057 545 K HA -0.043 4.276 4.320 -0.001 0.000 0.206 545 K C 1.984 178.596 176.600 0.019 0.000 1.050 545 K CA 1.088 57.452 56.287 0.127 0.000 0.935 545 K CB 0.005 32.581 32.500 0.127 0.000 0.715 545 K HN 0.149 nan 8.250 nan 0.000 0.439 546 Q N -0.084 119.728 119.800 0.020 0.000 2.061 546 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 546 Q C 2.031 178.021 176.000 -0.016 0.000 0.984 546 Q CA 1.744 57.547 55.803 -0.000 0.000 0.846 546 Q CB -0.318 28.424 28.738 0.007 0.000 0.902 546 Q HN 0.280 nan 8.270 nan 0.000 0.421 547 L N 0.058 121.276 121.223 -0.008 0.000 2.189 547 L HA -0.060 4.279 4.340 -0.001 0.000 0.214 547 L C 0.651 177.489 176.870 -0.053 0.000 1.097 547 L CA 2.007 56.837 54.840 -0.018 0.000 0.764 547 L CB -0.498 41.562 42.059 0.001 0.000 0.900 547 L HN 0.343 nan 8.230 nan 0.000 0.436 548 G N 0.246 108.985 108.800 -0.102 0.000 2.734 548 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.277 548 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.277 548 G C -0.028 174.731 174.900 -0.235 0.000 1.099 548 G CA 0.004 44.971 45.100 -0.223 0.000 1.218 548 G HN 1.045 nan 8.290 nan 0.000 0.554 549 H N -0.107 118.964 119.070 0.002 0.000 3.209 549 H HA 0.016 4.571 4.556 -0.001 0.000 0.297 549 H C 0.270 175.600 175.328 0.003 0.000 0.936 549 H CA 0.737 56.786 56.048 0.002 0.000 1.392 549 H CB 1.056 30.819 29.762 0.002 0.000 1.349 549 H HN 0.521 nan 8.280 nan 0.000 0.568 550 E N 3.841 124.115 120.200 0.124 0.000 1.881 550 E HA -0.027 4.322 4.350 -0.001 0.000 0.264 550 E C -0.369 176.301 176.600 0.116 0.000 1.243 550 E CA -0.175 56.280 56.400 0.091 0.000 0.965 550 E CB 0.115 29.846 29.700 0.053 0.000 1.055 550 E HN 0.599 nan 8.360 nan 0.000 0.412 551 E N 3.012 123.301 120.200 0.149 0.000 3.434 551 E HA -0.213 4.136 4.350 -0.001 0.000 0.248 551 E C -0.292 176.349 176.600 0.068 0.000 0.895 551 E CA 0.357 56.820 56.400 0.106 0.000 0.953 551 E CB 0.095 29.849 29.700 0.090 0.000 0.893 551 E HN 0.448 nan 8.360 nan 0.000 0.570 552 D N 2.162 122.589 120.400 0.044 0.000 2.772 552 D HA -0.225 4.414 4.640 -0.001 0.000 0.227 552 D C 0.234 176.571 176.300 0.061 0.000 1.114 552 D CA 0.709 54.737 54.000 0.046 0.000 0.832 552 D CB 0.350 41.162 40.800 0.020 0.000 1.154 552 D HN 0.486 nan 8.370 nan 0.000 0.514 553 Y N 3.366 123.611 120.300 -0.091 0.000 2.639 553 Y HA -0.034 4.515 4.550 -0.001 0.000 0.297 553 Y C 1.841 177.622 175.900 -0.197 0.000 1.151 553 Y CA 1.160 59.144 58.100 -0.193 0.000 1.335 553 Y CB 0.148 38.384 38.460 -0.373 0.000 0.994 553 Y HN 0.516 nan 8.280 nan 0.000 0.548 554 A N -0.208 122.609 122.820 -0.005 0.000 2.132 554 A HA 0.176 4.496 4.320 -0.001 0.000 0.213 554 A C 0.787 178.398 177.584 0.044 0.000 1.154 554 A CA -0.006 52.057 52.037 0.043 0.000 0.753 554 A CB -0.372 18.653 19.000 0.042 0.000 0.826 554 A HN 0.310 nan 8.150 nan 0.000 0.469 555 L N -1.572 119.660 121.223 0.014 0.000 2.421 555 L HA 0.510 4.850 4.340 -0.001 0.000 0.263 555 L C 1.585 178.454 176.870 -0.003 0.000 1.122 555 L CA 0.395 55.250 54.840 0.024 0.000 0.804 555 L CB 0.653 42.727 42.059 0.025 0.000 1.150 555 L HN 0.480 nan 8.230 nan 0.000 0.457 556 G N 0.963 109.770 108.800 0.012 0.000 2.184 556 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.264 556 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.264 556 G C 0.253 175.155 174.900 0.004 0.000 0.975 556 G CA 0.762 45.862 45.100 -0.000 0.000 0.642 556 G HN 0.633 nan 8.290 nan 0.000 0.536 557 K N -0.683 119.740 120.400 0.038 0.000 1.776 557 K HA 0.620 4.939 4.320 -0.001 0.000 0.262 557 K C -0.037 176.641 176.600 0.129 0.000 0.971 557 K CA -0.099 56.234 56.287 0.078 0.000 0.943 557 K CB 0.421 32.996 32.500 0.126 0.000 2.334 557 K HN 0.051 nan 8.250 nan 0.000 0.894 558 D N -0.501 120.034 120.400 0.226 0.000 2.696 558 D HA 0.070 4.709 4.640 -0.001 0.000 0.269 558 D C -0.449 175.990 176.300 0.230 0.000 1.319 558 D CA -0.439 53.678 54.000 0.195 0.000 0.826 558 D CB -0.634 40.264 40.800 0.164 0.000 1.086 558 D HN 0.289 nan 8.370 nan 0.000 0.481 559 C N 0.992 120.393 119.300 0.169 0.000 2.523 559 C HA 0.103 4.562 4.460 -0.001 0.000 0.406 559 C C 1.921 176.880 174.990 -0.051 0.000 1.449 559 C CA -0.135 58.766 59.018 -0.195 0.000 1.588 559 C CB -1.275 26.352 27.740 -0.188 0.000 2.514 559 C HN 0.482 nan 8.230 nan 0.000 0.606 560 I N 4.313 124.836 120.570 -0.078 0.000 2.400 560 I HA 0.108 4.277 4.170 -0.001 0.000 0.248 560 I C 1.046 177.101 176.117 -0.104 0.000 1.109 560 I CA 0.800 62.071 61.300 -0.048 0.000 1.425 560 I CB -0.163 37.821 38.000 -0.027 0.000 1.094 560 I HN 0.685 nan 8.210 nan 0.000 0.425 561 M N -0.606 118.914 119.600 -0.134 0.000 2.562 561 M HA 0.274 4.754 4.480 -0.001 0.000 0.281 561 M C -1.970 174.247 176.300 -0.138 0.000 1.195 561 M CA -0.574 54.559 55.300 -0.278 0.000 0.888 561 M CB 2.154 34.455 32.600 -0.499 0.000 1.731 561 M HN 0.205 nan 8.290 nan 0.000 0.493 562 H N 0.735 119.745 119.070 -0.099 0.000 3.016 562 H HA 0.998 5.554 4.556 -0.001 0.000 0.362 562 H C -0.746 174.490 175.328 -0.153 0.000 1.233 562 H CA -0.295 55.718 56.048 -0.058 0.000 1.124 562 H CB 1.925 31.664 29.762 -0.039 0.000 1.850 562 H HN 0.954 nan 8.280 nan 0.000 0.549 563 G N -0.469 108.109 108.800 -0.371 0.000 2.315 563 G HA2 0.248 4.208 3.960 -0.001 0.000 0.294 563 G HA3 0.248 4.208 3.960 -0.001 0.000 0.294 563 G C -2.079 172.390 174.900 -0.718 0.000 1.300 563 G CA -1.225 43.526 45.100 -0.580 0.000 0.843 563 G HN 0.462 nan 8.290 nan 0.000 0.527 564 Y N 0.123 120.305 120.300 -0.195 0.000 2.319 564 Y HA 0.749 5.298 4.550 -0.001 0.000 0.328 564 Y C 1.197 177.056 175.900 -0.068 0.000 1.133 564 Y CA 0.216 58.304 58.100 -0.019 0.000 1.265 564 Y CB 1.244 39.756 38.460 0.087 0.000 1.218 564 Y HN 0.462 nan 8.280 nan 0.000 0.508 565 M N 1.083 120.767 119.600 0.139 0.000 2.721 565 M HA 0.478 4.957 4.480 -0.001 0.000 0.271 565 M C -1.170 175.150 176.300 0.032 0.000 1.259 565 M CA -0.846 54.353 55.300 -0.168 0.000 0.835 565 M CB 2.701 34.830 32.600 -0.786 0.000 1.689 565 M HN 0.511 nan 8.290 nan 0.000 0.470 566 S N 0.427 116.056 115.700 -0.118 0.000 2.500 566 S HA 0.703 5.172 4.470 -0.001 0.000 0.301 566 S C -0.995 173.642 174.600 0.061 0.000 1.092 566 S CA -1.113 57.095 58.200 0.013 0.000 1.030 566 S CB 1.675 64.853 63.200 -0.036 0.000 1.031 566 S HN 0.669 nan 8.310 nan 0.000 0.483 567 K N 1.709 122.164 120.400 0.093 0.000 2.267 567 K HA 0.820 5.140 4.320 -0.001 0.000 0.236 567 K C -0.516 176.038 176.600 -0.077 0.000 1.030 567 K CA -0.992 55.221 56.287 -0.123 0.000 0.930 567 K CB 1.291 33.554 32.500 -0.396 0.000 1.182 567 K HN 0.705 nan 8.250 nan 0.000 0.474 575 Q N 0.425 119.986 119.800 -0.398 0.000 4.231 575 Q HA 0.097 4.437 4.340 -0.001 0.000 0.149 575 Q C -1.763 174.087 176.000 -0.250 0.000 0.852 575 Q CA -0.165 55.499 55.803 -0.232 0.000 0.789 575 Q CB 0.658 29.295 28.738 -0.168 0.000 1.531 575 Q HN 0.665 nan 8.270 nan 0.000 0.456 576 W N 2.357 123.610 121.300 -0.078 0.000 2.446 576 W HA 0.182 4.841 4.660 -0.001 0.000 0.316 576 W C 0.435 176.910 176.519 -0.074 0.000 1.376 576 W CA -0.165 57.125 57.345 -0.093 0.000 1.300 576 W CB 0.694 30.099 29.460 -0.091 0.000 1.351 576 W HN 0.269 nan 8.180 nan 0.000 0.530 577 Q N 3.310 123.227 119.800 0.196 0.000 2.425 577 Q HA 0.244 4.583 4.340 -0.001 0.000 0.254 577 Q C -0.104 175.963 176.000 0.112 0.000 1.032 577 Q CA -0.927 54.940 55.803 0.107 0.000 0.798 577 Q CB 1.270 30.040 28.738 0.053 0.000 1.210 577 Q HN 0.297 nan 8.270 nan 0.000 0.491 578 R N 2.672 123.229 120.500 0.095 0.000 2.421 578 R HA 0.144 4.483 4.340 -0.001 0.000 0.305 578 R C -0.608 175.788 176.300 0.160 0.000 1.039 578 R CA 0.318 56.476 56.100 0.096 0.000 1.003 578 R CB 0.353 30.655 30.300 0.003 0.000 0.959 578 R HN 0.385 nan 8.270 nan 0.000 0.427 579 R N 3.393 124.038 120.500 0.241 0.000 2.836 579 R HA 0.218 4.557 4.340 -0.001 0.000 0.269 579 R C -1.440 175.048 176.300 0.314 0.000 1.010 579 R CA -1.021 55.198 56.100 0.198 0.000 0.930 579 R CB 0.875 31.124 30.300 -0.086 0.000 1.218 579 R HN 0.564 nan 8.270 nan 0.000 0.473 580 Y N 0.549 120.875 120.300 0.045 0.000 2.328 580 Y HA 0.449 4.998 4.550 -0.001 0.000 0.337 580 Y C -0.778 175.001 175.900 -0.202 0.000 1.008 580 Y CA -0.314 57.723 58.100 -0.105 0.000 1.129 580 Y CB 0.790 39.081 38.460 -0.282 0.000 1.185 580 Y HN 0.392 nan 8.280 nan 0.000 0.476 581 F N 4.943 124.624 119.950 -0.448 0.000 2.480 581 F HA 0.457 4.983 4.527 -0.001 0.000 0.329 581 F C -1.192 174.470 175.800 -0.229 0.000 1.091 581 F CA -0.828 57.094 58.000 -0.130 0.000 0.972 581 F CB 1.150 40.037 39.000 -0.189 0.000 1.150 581 F HN 0.337 nan 8.300 nan 0.000 0.467 582 Y N 3.209 123.774 120.300 0.442 0.000 2.376 582 Y HA 0.547 5.097 4.550 -0.001 0.000 0.340 582 Y C -0.684 175.381 175.900 0.276 0.000 0.965 582 Y CA -1.177 57.111 58.100 0.314 0.000 1.078 582 Y CB 1.610 40.214 38.460 0.240 0.000 1.193 582 Y HN 0.372 nan 8.280 nan 0.000 0.452 583 L N 4.283 125.679 121.223 0.289 0.000 2.295 583 L HA 0.689 5.028 4.340 -0.001 0.000 0.285 583 L C -1.720 175.126 176.870 -0.040 0.000 1.035 583 L CA -0.525 54.479 54.840 0.273 0.000 0.806 583 L CB 0.185 42.455 42.059 0.351 0.000 1.214 583 L HN 0.493 nan 8.230 nan 0.000 0.426 584 F N 4.646 124.751 119.950 0.259 0.000 2.598 584 F HA 0.550 5.076 4.527 -0.001 0.000 0.327 584 F C -1.490 174.394 175.800 0.141 0.000 1.057 584 F CA -1.400 56.707 58.000 0.179 0.000 0.957 584 F CB 1.280 40.373 39.000 0.154 0.000 1.278 584 F HN 0.395 nan 8.300 nan 0.000 0.484 585 P HA -0.137 nan 4.420 nan 0.000 0.220 585 P C 0.484 177.892 177.300 0.181 0.000 1.148 585 P CA 1.403 64.619 63.100 0.193 0.000 0.803 585 P CB 0.117 31.905 31.700 0.147 0.000 0.782 586 N N -0.969 117.848 118.700 0.195 0.000 2.177 586 N HA 0.036 4.775 4.740 -0.001 0.000 0.218 586 N C 0.138 175.744 175.510 0.160 0.000 1.182 586 N CA -0.153 52.985 53.050 0.147 0.000 0.882 586 N CB 0.400 38.942 38.487 0.092 0.000 1.052 586 N HN 0.157 nan 8.380 nan 0.000 0.519 587 R N -1.270 119.374 120.500 0.239 0.000 2.774 587 R HA 0.459 4.799 4.340 -0.001 0.000 0.279 587 R C -2.176 174.348 176.300 0.373 0.000 1.022 587 R CA -0.955 55.290 56.100 0.241 0.000 0.855 587 R CB 0.384 30.781 30.300 0.161 0.000 1.279 587 R HN 0.005 nan 8.270 nan 0.000 0.485 588 L N 0.971 122.407 121.223 0.355 0.000 2.404 588 L HA 0.506 4.846 4.340 -0.001 0.000 0.272 588 L C -0.924 176.250 176.870 0.507 0.000 0.980 588 L CA -0.090 55.038 54.840 0.481 0.000 0.836 588 L CB 1.944 44.269 42.059 0.443 0.000 1.238 588 L HN 0.720 nan 8.230 nan 0.000 0.408 589 E N 3.612 124.138 120.200 0.543 0.000 2.243 589 E HA 0.653 5.003 4.350 -0.001 0.000 0.260 589 E C -1.691 175.146 176.600 0.395 0.000 0.985 589 E CA -0.604 55.959 56.400 0.273 0.000 0.858 589 E CB 1.748 31.637 29.700 0.314 0.000 1.210 589 E HN 0.622 nan 8.360 nan 0.000 0.411 590 W N -0.252 121.016 121.300 -0.053 0.000 3.137 590 W HA 0.547 5.206 4.660 -0.001 0.000 0.324 590 W C -1.219 175.197 176.519 -0.171 0.000 1.253 590 W CA -1.068 56.068 57.345 -0.349 0.000 1.183 590 W CB 0.705 29.480 29.460 -1.142 0.000 1.424 590 W HN 0.539 nan 8.180 nan 0.000 0.566 591 R N 1.315 121.860 120.500 0.075 0.000 2.837 591 R HA 0.893 5.232 4.340 -0.001 0.000 0.271 591 R C 0.021 176.394 176.300 0.122 0.000 0.993 591 R CA -0.772 55.357 56.100 0.047 0.000 0.931 591 R CB 1.647 31.954 30.300 0.013 0.000 1.206 591 R HN 0.820 nan 8.270 nan 0.000 0.474 592 G N 0.408 109.267 108.800 0.099 0.000 2.494 592 G HA2 0.226 4.185 3.960 -0.001 0.000 0.270 592 G HA3 0.226 4.185 3.960 -0.001 0.000 0.270 592 G C -0.671 174.280 174.900 0.086 0.000 1.423 592 G CA -0.652 44.513 45.100 0.108 0.000 1.055 592 G HN 0.554 nan 8.290 nan 0.000 0.536 593 E N -0.384 119.862 120.200 0.078 0.000 2.249 593 E HA 0.431 4.781 4.350 -0.001 0.000 0.280 593 E C 0.775 177.393 176.600 0.030 0.000 1.016 593 E CA 0.439 56.874 56.400 0.059 0.000 0.830 593 E CB 1.224 30.965 29.700 0.068 0.000 1.081 593 E HN 1.058 nan 8.360 nan 0.000 0.395 594 G N 2.460 111.270 108.800 0.017 0.000 2.141 594 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.242 594 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.242 594 G C 0.038 174.935 174.900 -0.004 0.000 0.982 594 G CA 0.687 45.791 45.100 0.007 0.000 0.662 594 G HN 0.586 nan 8.290 nan 0.000 0.527 595 E N -0.760 119.431 120.200 -0.014 0.000 2.390 595 E HA 0.753 5.102 4.350 -0.001 0.000 0.277 595 E C -0.049 176.505 176.600 -0.076 0.000 0.939 595 E CA -0.567 55.813 56.400 -0.034 0.000 0.769 595 E CB 1.379 31.061 29.700 -0.029 0.000 1.251 595 E HN 1.063 nan 8.360 nan 0.000 0.450 596 A N 2.143 124.901 122.820 -0.104 0.000 2.304 596 A HA 0.526 4.845 4.320 -0.001 0.000 0.271 596 A C -2.307 175.129 177.584 -0.246 0.000 1.091 596 A CA -1.407 50.493 52.037 -0.230 0.000 0.812 596 A CB -0.282 18.641 19.000 -0.129 0.000 1.056 596 A HN 0.486 nan 8.150 nan 0.000 0.489 597 P HA 0.125 nan 4.420 nan 0.000 0.264 597 P C -0.393 176.770 177.300 -0.229 0.000 1.193 597 P CA 0.500 63.426 63.100 -0.290 0.000 0.763 597 P CB 0.378 31.893 31.700 -0.310 0.000 0.810 598 Q N 0.690 120.351 119.800 -0.232 0.000 2.194 598 Q HA 0.178 4.517 4.340 -0.001 0.000 0.214 598 Q C 0.022 175.866 176.000 -0.259 0.000 0.838 598 Q CA 0.012 55.702 55.803 -0.187 0.000 0.972 598 Q CB 0.430 29.097 28.738 -0.118 0.000 1.131 598 Q HN 0.564 nan 8.270 nan 0.000 0.498 599 S N -0.256 115.163 115.700 -0.467 0.000 2.565 599 S HA 0.773 5.243 4.470 -0.001 0.000 0.269 599 S C -1.239 172.727 174.600 -1.057 0.000 1.153 599 S CA -1.031 56.796 58.200 -0.622 0.000 0.835 599 S CB 1.595 64.483 63.200 -0.519 0.000 1.122 599 S HN 0.159 nan 8.310 nan 0.000 0.462 600 L N -1.519 119.219 121.223 -0.809 0.000 2.801 600 L HA 0.940 5.279 4.340 -0.001 0.000 0.264 600 L C -2.165 174.609 176.870 -0.160 0.000 1.086 600 L CA -1.011 53.451 54.840 -0.631 0.000 0.920 600 L CB 0.575 42.497 42.059 -0.228 0.000 1.529 600 L HN 0.666 nan 8.230 nan 0.000 0.399 601 L N 0.646 121.918 121.223 0.082 0.000 2.386 601 L HA 0.817 5.156 4.340 -0.001 0.000 0.271 601 L C -0.074 176.840 176.870 0.074 0.000 0.993 601 L CA 0.192 55.069 54.840 0.062 0.000 0.819 601 L CB 2.081 44.132 42.059 -0.013 0.000 1.294 601 L HN 1.013 nan 8.230 nan 0.000 0.414 602 T N 0.377 114.957 114.554 0.042 0.000 2.922 602 T HA 0.279 4.628 4.350 -0.001 0.000 0.285 602 T C 1.268 176.010 174.700 0.070 0.000 1.005 602 T CA -0.745 61.392 62.100 0.062 0.000 1.061 602 T CB 0.814 69.704 68.868 0.038 0.000 1.007 602 T HN 0.456 nan 8.240 nan 0.000 0.502 603 M N 0.956 120.621 119.600 0.108 0.000 2.446 603 M HA -0.026 4.453 4.480 -0.001 0.000 0.263 603 M C 1.859 178.216 176.300 0.094 0.000 1.066 603 M CA 1.203 56.581 55.300 0.130 0.000 1.087 603 M CB -1.285 31.425 32.600 0.182 0.000 1.406 603 M HN 0.802 nan 8.290 nan 0.000 0.459 604 E N 0.364 120.603 120.200 0.065 0.000 2.150 604 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 604 E C 1.716 178.323 176.600 0.011 0.000 0.985 604 E CA 0.918 57.346 56.400 0.046 0.000 0.814 604 E CB -0.049 29.673 29.700 0.037 0.000 0.752 604 E HN 0.619 nan 8.360 nan 0.000 0.466 605 E N 0.557 120.754 120.200 -0.005 0.000 2.208 605 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 605 E C 0.414 176.970 176.600 -0.074 0.000 0.988 605 E CA 0.268 56.651 56.400 -0.028 0.000 0.828 605 E CB 0.119 29.805 29.700 -0.023 0.000 0.763 605 E HN 0.241 nan 8.360 nan 0.000 0.478 606 I N 2.658 123.154 120.570 -0.123 0.000 2.372 606 I HA -0.048 4.121 4.170 -0.001 0.000 0.298 606 I C 1.222 177.073 176.117 -0.444 0.000 1.137 606 I CA 0.195 61.339 61.300 -0.260 0.000 1.314 606 I CB 0.534 38.355 38.000 -0.299 0.000 1.444 606 I HN 0.096 nan 8.210 nan 0.000 0.541 607 Q N 3.745 123.378 119.800 -0.278 0.000 2.172 607 Q HA -0.052 4.287 4.340 -0.001 0.000 0.200 607 Q C 0.339 176.161 176.000 -0.297 0.000 0.964 607 Q CA 0.846 56.513 55.803 -0.227 0.000 0.855 607 Q CB 0.183 28.865 28.738 -0.093 0.000 0.918 607 Q HN 0.840 nan 8.270 nan 0.000 0.444 608 S N -1.730 113.787 115.700 -0.305 0.000 2.578 608 S HA 0.490 4.959 4.470 -0.001 0.000 0.272 608 S C -1.082 173.479 174.600 -0.065 0.000 1.145 608 S CA -1.097 57.012 58.200 -0.153 0.000 0.835 608 S CB 1.790 64.996 63.200 0.010 0.000 1.104 608 S HN -0.101 nan 8.310 nan 0.000 0.458 609 V N 1.491 121.473 119.914 0.113 0.000 2.380 609 V HA 0.578 4.697 4.120 -0.001 0.000 0.286 609 V C -0.229 175.937 176.094 0.120 0.000 1.015 609 V CA -0.234 62.145 62.300 0.132 0.000 0.834 609 V CB 0.895 32.852 31.823 0.223 0.000 1.009 609 V HN 0.917 nan 8.190 nan 0.000 0.428 610 E N 2.627 122.875 120.200 0.080 0.000 2.339 610 E HA 0.540 4.889 4.350 -0.001 0.000 0.262 610 E C -0.863 175.769 176.600 0.054 0.000 0.934 610 E CA -0.855 55.585 56.400 0.066 0.000 0.802 610 E CB 2.115 31.847 29.700 0.052 0.000 1.275 610 E HN 0.749 nan 8.360 nan 0.000 0.427 611 E N 0.823 121.051 120.200 0.046 0.000 2.242 611 E HA 0.405 4.754 4.350 -0.001 0.000 0.275 611 E C -0.686 175.931 176.600 0.028 0.000 1.002 611 E CA -0.521 55.901 56.400 0.036 0.000 0.841 611 E CB 2.010 31.732 29.700 0.036 0.000 1.109 611 E HN 0.326 nan 8.360 nan 0.000 0.394 612 T N 0.894 115.461 114.554 0.021 0.000 2.942 612 T HA 0.139 4.488 4.350 -0.001 0.000 0.327 612 T C -1.485 173.224 174.700 0.015 0.000 1.360 612 T CA -0.608 61.504 62.100 0.019 0.000 1.055 612 T CB 1.491 70.371 68.868 0.021 0.000 1.261 612 T HN 0.418 nan 8.240 nan 0.000 0.485 613 Q N 3.251 123.059 119.800 0.014 0.000 2.331 613 Q HA 0.464 4.804 4.340 -0.001 0.000 0.257 613 Q C -0.590 175.423 176.000 0.022 0.000 0.957 613 Q CA -0.349 55.460 55.803 0.010 0.000 0.923 613 Q CB 1.109 29.850 28.738 0.005 0.000 1.212 613 Q HN 0.561 nan 8.270 nan 0.000 0.443 614 I N 4.540 125.134 120.570 0.040 0.000 2.321 614 I HA 0.107 4.277 4.170 -0.001 0.000 0.291 614 I C 0.448 176.601 176.117 0.059 0.000 0.998 614 I CA -0.014 61.326 61.300 0.068 0.000 1.227 614 I CB 0.737 38.828 38.000 0.151 0.000 1.368 614 I HN 0.744 nan 8.210 nan 0.000 0.466 615 K N 4.542 124.965 120.400 0.038 0.000 3.238 615 K HA -0.309 4.010 4.320 -0.001 0.000 0.187 615 K C 0.777 177.378 176.600 0.002 0.000 0.809 615 K CA 2.188 58.488 56.287 0.021 0.000 0.511 615 K CB -0.663 31.858 32.500 0.035 0.000 0.762 615 K HN 0.864 nan 8.250 nan 0.000 0.754 616 E N 1.497 121.689 120.200 -0.013 0.000 2.606 616 E HA 0.126 4.475 4.350 -0.001 0.000 0.224 616 E C 0.568 177.133 176.600 -0.059 0.000 0.930 616 E CA -0.311 56.069 56.400 -0.033 0.000 1.125 616 E CB 0.613 30.289 29.700 -0.040 0.000 1.123 616 E HN 0.325 nan 8.360 nan 0.000 0.522 617 R N 1.865 122.324 120.500 -0.068 0.000 2.459 617 R HA 0.261 4.600 4.340 -0.001 0.000 0.281 617 R C -0.475 175.773 176.300 -0.086 0.000 1.050 617 R CA -0.426 55.607 56.100 -0.112 0.000 1.055 617 R CB 1.132 31.337 30.300 -0.159 0.000 1.045 617 R HN -0.139 nan 8.270 nan 0.000 0.495 618 K N 2.741 123.081 120.400 -0.100 0.000 2.110 618 K HA 0.411 4.730 4.320 -0.001 0.000 0.263 618 K C -1.261 175.290 176.600 -0.082 0.000 0.975 618 K CA -0.590 55.658 56.287 -0.064 0.000 0.895 618 K CB 1.126 33.598 32.500 -0.045 0.000 1.060 618 K HN 0.646 nan 8.250 nan 0.000 0.448 619 C N 1.992 121.265 119.300 -0.045 0.000 3.236 619 C HA 0.506 4.965 4.460 -0.001 0.000 0.312 619 C C -0.923 174.055 174.990 -0.021 0.000 1.374 619 C CA -1.038 57.949 59.018 -0.052 0.000 1.455 619 C CB 1.110 28.848 27.740 -0.004 0.000 1.834 619 C HN 0.679 nan 8.230 nan 0.000 0.460 620 L N 2.209 123.413 121.223 -0.032 0.000 2.282 620 L HA 0.548 4.887 4.340 -0.001 0.000 0.288 620 L C -0.703 176.174 176.870 0.013 0.000 1.033 620 L CA -0.405 54.434 54.840 -0.002 0.000 0.807 620 L CB 1.206 43.259 42.059 -0.010 0.000 1.209 620 L HN 0.443 nan 8.230 nan 0.000 0.423 621 L N 5.775 127.018 121.223 0.034 0.000 2.280 621 L HA 0.477 4.816 4.340 -0.001 0.000 0.287 621 L C -0.775 176.131 176.870 0.061 0.000 1.023 621 L CA -0.040 54.825 54.840 0.042 0.000 0.819 621 L CB 1.010 43.089 42.059 0.032 0.000 1.212 621 L HN 0.389 nan 8.230 nan 0.000 0.420 622 L N 5.449 126.728 121.223 0.094 0.000 2.272 622 L HA 0.486 4.825 4.340 -0.001 0.000 0.289 622 L C 0.109 177.013 176.870 0.057 0.000 1.032 622 L CA -0.699 54.188 54.840 0.077 0.000 0.810 622 L CB 1.029 43.156 42.059 0.113 0.000 1.205 622 L HN 0.584 nan 8.230 nan 0.000 0.422 623 K N 4.539 124.943 120.400 0.006 0.000 2.234 623 K HA 0.555 4.874 4.320 -0.001 0.000 0.282 623 K C -0.687 175.897 176.600 -0.027 0.000 1.039 623 K CA -0.218 56.068 56.287 -0.001 0.000 0.928 623 K CB 1.596 34.090 32.500 -0.010 0.000 1.039 623 K HN 0.497 nan 8.250 nan 0.000 0.470 624 I N 3.919 124.488 120.570 -0.003 0.000 2.420 624 I HA 0.120 4.289 4.170 -0.001 0.000 0.282 624 I C 0.948 177.061 176.117 -0.007 0.000 1.019 624 I CA -0.603 60.689 61.300 -0.013 0.000 1.130 624 I CB 1.483 39.489 38.000 0.012 0.000 1.262 624 I HN 0.688 nan 8.210 nan 0.000 0.454 625 R N 4.920 125.408 120.500 -0.020 0.000 2.501 625 R HA -0.304 4.035 4.340 -0.001 0.000 0.153 625 R C 1.742 178.043 176.300 0.001 0.000 0.713 625 R CA 2.591 58.685 56.100 -0.010 0.000 0.216 625 R CB -1.477 28.819 30.300 -0.008 0.000 0.600 625 R HN 0.867 nan 8.270 nan 0.000 0.230 626 G N -2.313 106.492 108.800 0.008 0.000 2.625 626 G HA2 0.226 4.186 3.960 -0.001 0.000 0.214 626 G HA3 0.226 4.186 3.960 -0.001 0.000 0.214 626 G C 1.013 175.921 174.900 0.013 0.000 1.132 626 G CA 0.763 45.870 45.100 0.012 0.000 0.782 626 G HN 1.176 nan 8.290 nan 0.000 0.538 627 G N -0.867 107.940 108.800 0.012 0.000 2.141 627 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.195 627 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.195 627 G C 0.070 174.981 174.900 0.019 0.000 1.012 627 G CA 0.071 45.178 45.100 0.012 0.000 0.696 627 G HN 0.579 nan 8.290 nan 0.000 0.508 628 K N -0.067 120.351 120.400 0.029 0.000 2.182 628 K HA 0.564 4.883 4.320 -0.001 0.000 0.262 628 K C 0.242 176.879 176.600 0.061 0.000 0.957 628 K CA -0.787 55.527 56.287 0.046 0.000 0.842 628 K CB 0.978 33.517 32.500 0.065 0.000 1.099 628 K HN 0.110 nan 8.250 nan 0.000 0.438 629 Q N 1.382 121.216 119.800 0.057 0.000 2.340 629 Q HA 0.322 4.661 4.340 -0.001 0.000 0.249 629 Q C -1.364 174.723 176.000 0.145 0.000 0.957 629 Q CA 0.220 56.062 55.803 0.066 0.000 0.882 629 Q CB 0.458 29.204 28.738 0.014 0.000 1.235 629 Q HN 0.450 nan 8.270 nan 0.000 0.439 630 F N 2.415 122.350 119.950 -0.026 0.000 2.557 630 F HA 0.567 5.093 4.527 -0.001 0.000 0.316 630 F C -1.353 174.419 175.800 -0.048 0.000 1.141 630 F CA -0.663 57.313 58.000 -0.040 0.000 0.922 630 F CB 0.973 39.957 39.000 -0.027 0.000 1.194 630 F HN 0.421 nan 8.300 nan 0.000 0.443 631 I N 7.347 127.686 120.570 -0.385 0.000 2.436 631 I HA 0.403 4.572 4.170 -0.001 0.000 0.289 631 I C -1.107 174.861 176.117 -0.248 0.000 1.010 631 I CA -0.702 60.481 61.300 -0.196 0.000 1.098 631 I CB 1.857 39.803 38.000 -0.090 0.000 1.266 631 I HN 0.453 nan 8.210 nan 0.000 0.434 632 L N 6.062 127.187 121.223 -0.164 0.000 2.334 632 L HA 0.534 4.873 4.340 -0.001 0.000 0.276 632 L C -0.408 176.324 176.870 -0.231 0.000 1.014 632 L CA -0.528 54.163 54.840 -0.248 0.000 0.815 632 L CB 1.941 43.763 42.059 -0.395 0.000 1.268 632 L HN 0.573 nan 8.230 nan 0.000 0.428 633 Q N 1.904 121.479 119.800 -0.375 0.000 2.337 633 Q HA 0.521 4.861 4.340 -0.001 0.000 0.266 633 Q C -1.560 174.194 176.000 -0.409 0.000 1.023 633 Q CA -0.587 54.910 55.803 -0.511 0.000 0.829 633 Q CB 2.136 30.237 28.738 -1.062 0.000 1.306 633 Q HN 0.731 nan 8.270 nan 0.000 0.449 634 C N 2.249 121.369 119.300 -0.299 0.000 2.470 634 C HA 0.370 4.829 4.460 -0.001 0.000 0.341 634 C C 0.706 175.593 174.990 -0.171 0.000 1.190 634 C CA -0.657 58.240 59.018 -0.202 0.000 1.904 634 C CB 1.196 28.879 27.740 -0.095 0.000 2.354 634 C HN 0.923 nan 8.230 nan 0.000 0.509 635 D N 0.660 120.993 120.400 -0.111 0.000 2.347 635 D HA 0.021 4.660 4.640 -0.001 0.000 0.213 635 D C 0.720 176.970 176.300 -0.083 0.000 0.985 635 D CA 0.888 54.825 54.000 -0.106 0.000 0.879 635 D CB 0.112 40.869 40.800 -0.070 0.000 0.919 635 D HN 0.711 nan 8.370 nan 0.000 0.526 636 S N -0.805 114.856 115.700 -0.066 0.000 2.570 636 S HA 0.245 4.714 4.470 -0.001 0.000 0.270 636 S C 0.134 174.705 174.600 -0.049 0.000 1.149 636 S CA -0.855 57.312 58.200 -0.055 0.000 0.837 636 S CB 2.459 65.606 63.200 -0.087 0.000 1.124 636 S HN -0.347 nan 8.310 nan 0.000 0.465 637 D N 1.788 122.176 120.400 -0.019 0.000 2.103 637 D HA -0.021 4.618 4.640 -0.001 0.000 0.190 637 D C -0.937 175.312 176.300 -0.085 0.000 0.997 637 D CA 1.738 55.729 54.000 -0.015 0.000 0.833 637 D CB -1.882 38.932 40.800 0.023 0.000 0.961 637 D HN 0.443 nan 8.370 nan 0.000 0.447 638 P HA -0.171 nan 4.420 nan 0.000 0.217 638 P C 1.243 178.403 177.300 -0.234 0.000 1.162 638 P CA 1.579 64.392 63.100 -0.478 0.000 0.901 638 P CB -0.070 31.226 31.700 -0.674 0.000 0.793 639 E N -1.268 118.856 120.200 -0.125 0.000 2.110 639 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 639 E C 1.927 178.610 176.600 0.138 0.000 0.988 639 E CA 0.555 56.965 56.400 0.015 0.000 0.804 639 E CB -0.661 29.081 29.700 0.070 0.000 0.745 639 E HN 0.096 nan 8.360 nan 0.000 0.458 640 L N 0.547 121.811 121.223 0.069 0.000 2.083 640 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 640 L C 2.094 179.029 176.870 0.108 0.000 1.083 640 L CA 1.354 56.243 54.840 0.083 0.000 0.752 640 L CB -0.120 41.954 42.059 0.024 0.000 0.899 640 L HN -0.038 nan 8.230 nan 0.000 0.433 641 V N -0.939 119.031 119.914 0.093 0.000 2.453 641 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 641 V C 2.558 178.724 176.094 0.119 0.000 1.048 641 V CA 1.407 63.784 62.300 0.129 0.000 1.049 641 V CB -0.726 31.228 31.823 0.220 0.000 0.672 641 V HN 0.471 nan 8.190 nan 0.000 0.457 642 Q N -1.105 118.747 119.800 0.086 0.000 2.049 642 Q HA -0.149 4.190 4.340 -0.001 0.000 0.198 642 Q C 2.109 178.070 176.000 -0.065 0.000 0.971 642 Q CA 1.665 57.453 55.803 -0.025 0.000 0.833 642 Q CB -0.370 28.280 28.738 -0.146 0.000 0.896 642 Q HN 0.765 nan 8.270 nan 0.000 0.434 643 W N 1.727 123.017 121.300 -0.016 0.000 2.358 643 W HA -0.186 4.473 4.660 -0.001 0.000 0.303 643 W C 2.524 179.042 176.519 -0.003 0.000 1.208 643 W CA 1.304 58.629 57.345 -0.034 0.000 1.274 643 W CB -0.087 29.320 29.460 -0.089 0.000 1.138 643 W HN 0.162 nan 8.180 nan 0.000 0.515 644 K N 1.197 121.737 120.400 0.232 0.000 2.009 644 K HA -0.272 4.047 4.320 -0.001 0.000 0.210 644 K C 2.129 178.804 176.600 0.125 0.000 1.049 644 K CA 1.973 58.356 56.287 0.159 0.000 0.929 644 K CB -0.384 32.185 32.500 0.115 0.000 0.714 644 K HN -0.032 nan 8.250 nan 0.000 0.440 645 K N 0.173 120.622 120.400 0.081 0.000 2.025 645 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 645 K C 1.863 178.479 176.600 0.027 0.000 1.049 645 K CA 1.628 57.938 56.287 0.039 0.000 0.933 645 K CB 0.039 32.546 32.500 0.012 0.000 0.714 645 K HN 0.188 nan 8.250 nan 0.000 0.438 646 E N 0.876 121.082 120.200 0.011 0.000 2.150 646 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 646 E C 2.204 178.848 176.600 0.075 0.000 0.985 646 E CA 0.719 57.114 56.400 -0.009 0.000 0.814 646 E CB -0.105 29.524 29.700 -0.119 0.000 0.752 646 E HN 0.361 nan 8.360 nan 0.000 0.466 647 L N 0.484 121.808 121.223 0.167 0.000 1.994 647 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 647 L C 2.749 179.760 176.870 0.235 0.000 1.071 647 L CA 1.219 56.209 54.840 0.250 0.000 0.745 647 L CB -0.335 41.904 42.059 0.300 0.000 0.892 647 L HN 0.030 nan 8.230 nan 0.000 0.431 648 R N -0.031 120.567 120.500 0.163 0.000 2.096 648 R HA -0.199 4.141 4.340 -0.001 0.000 0.240 648 R C 1.941 178.087 176.300 -0.256 0.000 1.139 648 R CA 1.920 58.007 56.100 -0.021 0.000 0.952 648 R CB -0.471 29.832 30.300 0.005 0.000 0.854 648 R HN 0.358 nan 8.270 nan 0.000 0.436 649 D N 0.044 120.382 120.400 -0.103 0.000 2.144 649 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 649 D C 1.704 177.958 176.300 -0.077 0.000 0.984 649 D CA 1.426 55.362 54.000 -0.106 0.000 0.834 649 D CB -0.183 40.587 40.800 -0.050 0.000 0.955 649 D HN 0.286 nan 8.370 nan 0.000 0.465 650 A N 0.348 123.170 122.820 0.004 0.000 1.897 650 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 650 A C 2.115 179.761 177.584 0.103 0.000 1.181 650 A CA 1.321 53.401 52.037 0.072 0.000 0.620 650 A CB -0.973 18.109 19.000 0.136 0.000 0.821 650 A HN 0.446 nan 8.150 nan 0.000 0.443 651 Y N -0.403 119.941 120.300 0.074 0.000 2.337 651 Y HA 0.113 4.662 4.550 -0.001 0.000 0.293 651 Y C 2.084 178.015 175.900 0.052 0.000 1.123 651 Y CA 1.077 59.216 58.100 0.066 0.000 1.201 651 Y CB -0.497 38.003 38.460 0.066 0.000 1.011 651 Y HN 0.141 nan 8.280 nan 0.000 0.545 652 R N 0.620 120.839 120.500 -0.468 0.000 2.075 652 R HA -0.099 4.240 4.340 -0.001 0.000 0.232 652 R C 2.173 178.427 176.300 -0.076 0.000 1.126 652 R CA 1.795 57.712 56.100 -0.305 0.000 0.963 652 R CB -0.201 29.863 30.300 -0.394 0.000 0.858 652 R HN 0.486 nan 8.270 nan 0.000 0.435 653 E N 0.069 120.237 120.200 -0.053 0.000 2.072 653 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 653 E C 1.950 178.572 176.600 0.036 0.000 0.985 653 E CA 1.094 57.493 56.400 -0.001 0.000 0.801 653 E CB -0.016 29.686 29.700 0.004 0.000 0.750 653 E HN 0.355 nan 8.360 nan 0.000 0.452 654 A N 0.806 123.666 122.820 0.067 0.000 1.930 654 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 654 A C 1.983 179.617 177.584 0.084 0.000 1.175 654 A CA 1.303 53.392 52.037 0.086 0.000 0.627 654 A CB -0.321 18.750 19.000 0.119 0.000 0.815 654 A HN 0.165 nan 8.150 nan 0.000 0.443 655 Q N -1.154 118.709 119.800 0.105 0.000 2.245 655 Q HA -0.137 4.202 4.340 -0.001 0.000 0.201 655 Q C 2.224 178.264 176.000 0.066 0.000 0.955 655 Q CA 1.214 57.076 55.803 0.099 0.000 0.870 655 Q CB -0.055 28.772 28.738 0.148 0.000 0.945 655 Q HN 0.837 nan 8.270 nan 0.000 0.461 656 Q N 0.434 120.264 119.800 0.051 0.000 2.046 656 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 656 Q C 1.989 178.009 176.000 0.032 0.000 0.975 656 Q CA 0.943 56.767 55.803 0.034 0.000 0.836 656 Q CB 0.112 28.863 28.738 0.021 0.000 0.896 656 Q HN 0.368 nan 8.270 nan 0.000 0.428 657 L N -0.217 121.026 121.223 0.034 0.000 1.994 657 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 657 L C 2.458 179.347 176.870 0.031 0.000 1.071 657 L CA 1.037 55.895 54.840 0.031 0.000 0.745 657 L CB -0.708 41.371 42.059 0.034 0.000 0.892 657 L HN 0.185 nan 8.230 nan 0.000 0.431 658 V N -0.057 119.880 119.914 0.037 0.000 2.332 658 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 658 V C 2.500 178.611 176.094 0.029 0.000 1.055 658 V CA 1.946 64.266 62.300 0.033 0.000 1.038 658 V CB -0.515 31.332 31.823 0.039 0.000 0.651 658 V HN 0.486 nan 8.190 nan 0.000 0.450 659 Q N 1.164 120.983 119.800 0.032 0.000 2.234 659 Q HA -0.201 4.138 4.340 -0.001 0.000 0.206 659 Q C 2.021 178.033 176.000 0.022 0.000 0.980 659 Q CA 1.713 57.532 55.803 0.027 0.000 0.869 659 Q CB -0.245 28.511 28.738 0.031 0.000 0.912 659 Q HN 0.779 nan 8.270 nan 0.000 0.436 660 R N -1.046 119.467 120.500 0.021 0.000 2.468 660 R HA 0.239 4.578 4.340 -0.001 0.000 0.280 660 R C -0.777 175.532 176.300 0.015 0.000 0.963 660 R CA -0.028 56.082 56.100 0.016 0.000 1.083 660 R CB 0.393 30.703 30.300 0.015 0.000 1.200 660 R HN -0.011 nan 8.270 nan 0.000 0.541 661 V N 3.680 123.603 119.914 0.016 0.000 2.294 661 V HA 0.222 4.342 4.120 -0.001 0.000 0.272 661 V C -1.504 174.597 176.094 0.012 0.000 1.027 661 V CA -1.796 60.512 62.300 0.013 0.000 0.823 661 V CB 1.543 33.374 31.823 0.014 0.000 1.030 661 V HN 0.062 nan 8.190 nan 0.000 0.457 662 P HA -0.175 nan 4.420 nan 0.000 0.220 662 P C 1.299 178.604 177.300 0.008 0.000 1.144 662 P CA 1.134 64.239 63.100 0.009 0.000 0.800 662 P CB 0.537 32.242 31.700 0.007 0.000 0.772 663 K N -1.084 119.320 120.400 0.007 0.000 2.314 663 K HA 0.139 4.458 4.320 -0.001 0.000 0.198 663 K C 2.043 178.647 176.600 0.007 0.000 1.045 663 K CA 0.464 56.754 56.287 0.006 0.000 0.988 663 K CB -0.129 32.373 32.500 0.004 0.000 0.783 663 K HN 0.008 nan 8.250 nan 0.000 0.484 664 M N 1.244 120.849 119.600 0.009 0.000 2.466 664 M HA 0.031 4.510 4.480 -0.001 0.000 0.265 664 M C 0.378 176.686 176.300 0.014 0.000 1.122 664 M CA 0.337 55.644 55.300 0.012 0.000 1.157 664 M CB 0.280 32.889 32.600 0.015 0.000 1.352 664 M HN -0.029 nan 8.290 nan 0.000 0.464 665 K N 1.422 121.831 120.400 0.015 0.000 2.219 665 K HA 0.177 4.496 4.320 -0.001 0.000 0.258 665 K C -0.564 176.045 176.600 0.014 0.000 1.008 665 K CA -0.492 55.805 56.287 0.017 0.000 0.928 665 K CB 0.385 32.896 32.500 0.018 0.000 0.983 665 K HN -0.008 nan 8.250 nan 0.000 0.484 666 N N 1.698 120.407 118.700 0.016 0.000 2.503 666 N HA 0.147 4.886 4.740 -0.001 0.000 0.267 666 N C -0.592 174.925 175.510 0.012 0.000 1.214 666 N CA -0.165 52.892 53.050 0.013 0.000 0.959 666 N CB 0.759 39.255 38.487 0.014 0.000 1.142 666 N HN 0.458 nan 8.380 nan 0.000 0.455 667 K N 0.749 121.155 120.400 0.010 0.000 2.400 667 K HA 0.441 4.760 4.320 -0.001 0.000 0.246 667 K C -2.497 174.108 176.600 0.008 0.000 0.995 667 K CA -1.614 54.678 56.287 0.009 0.000 0.840 667 K CB 0.654 33.158 32.500 0.008 0.000 1.293 667 K HN 0.235 nan 8.250 nan 0.000 0.445 668 P HA 0.005 nan 4.420 nan 0.000 0.242 668 P C -0.487 176.816 177.300 0.006 0.000 1.116 668 P CA 0.457 63.561 63.100 0.007 0.000 0.954 668 P CB 0.158 31.862 31.700 0.007 0.000 0.908 669 R N 0.000 120.504 120.500 0.006 0.000 2.786 669 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 669 R CA 0.000 56.103 56.100 0.005 0.000 0.921 669 R CB 0.000 30.303 30.300 0.006 0.000 0.687 669 R HN 0.000 nan 8.270 nan 0.000 0.535