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 1ym7_1_B DATA FIRST_RESID 29 DATA SEQUENCE SKKILLPEPS IRSVMQKYLE DRGEVTFEKI FSQKLGYLLF RDFCLKHLEE DATA SEQUENCE AKPLVEFYEE IKKYEKLETE EERLVCSREI FDTYIMKELL ACSHPFSKSA DATA SEQUENCE IEHVQGHLVK 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 RKKTKNKQLG HEEDYALGKD CIMHGYMSKM GNXXXTQWQR DATA SEQUENCE RYFYLFPNRL EWRGEGEAPQ SLLTMEEIQS VEETQIKERK CLLLKIRGGK DATA SEQUENCE QFVLQCDSDP ELVQWKKELR DAYREAQQ 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 0.000 174.568 174.600 -0.053 0.000 1.055 29 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 29 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 30 K N 1.979 122.352 120.400 -0.046 0.000 1.971 30 K HA 0.065 4.389 4.320 0.006 0.000 0.221 30 K C 0.849 177.423 176.600 -0.044 0.000 1.050 30 K CA 1.425 57.684 56.287 -0.047 0.000 0.967 30 K CB -0.450 32.030 32.500 -0.033 0.000 0.733 30 K HN 0.354 nan 8.250 nan 0.000 0.445 31 K N 0.807 121.189 120.400 -0.029 0.000 2.508 31 K HA -0.064 4.259 4.320 0.006 0.000 0.273 31 K C -0.093 176.492 176.600 -0.025 0.000 0.964 31 K CA 0.080 56.356 56.287 -0.019 0.000 0.948 31 K CB 0.079 32.570 32.500 -0.014 0.000 0.917 31 K HN 0.120 nan 8.250 nan 0.000 0.512 32 I N 3.697 124.266 120.570 -0.003 0.000 2.474 32 I HA 0.133 4.306 4.170 0.006 0.000 0.287 32 I C -0.826 175.260 176.117 -0.052 0.000 1.048 32 I CA -0.373 60.926 61.300 -0.002 0.000 1.383 32 I CB 0.678 38.725 38.000 0.079 0.000 1.412 32 I HN 0.438 nan 8.210 nan 0.000 0.531 33 L N 8.066 129.233 121.223 -0.092 0.000 2.346 33 L HA 0.586 4.930 4.340 0.006 0.000 0.274 33 L C -1.448 175.293 176.870 -0.215 0.000 1.007 33 L CA -0.352 54.404 54.840 -0.141 0.000 0.818 33 L CB 1.701 43.685 42.059 -0.124 0.000 1.284 33 L HN 0.507 nan 8.230 nan 0.000 0.424 34 L N 5.513 126.575 121.223 -0.269 0.000 2.295 34 L HA 0.565 4.908 4.340 0.006 0.000 0.285 34 L C -1.984 174.735 176.870 -0.252 0.000 1.035 34 L CA -1.629 52.999 54.840 -0.352 0.000 0.806 34 L CB 1.429 43.211 42.059 -0.462 0.000 1.214 34 L HN 0.571 nan 8.230 nan 0.000 0.426 35 P HA 0.196 nan 4.420 nan 0.000 0.278 35 P C -0.888 176.323 177.300 -0.148 0.000 1.238 35 P CA -0.640 62.354 63.100 -0.176 0.000 0.794 35 P CB 0.584 32.191 31.700 -0.155 0.000 0.955 36 E N 3.251 123.385 120.200 -0.109 0.000 2.422 36 E HA -0.020 4.333 4.350 0.006 0.000 0.260 36 E C -1.485 175.102 176.600 -0.022 0.000 1.108 36 E CA -1.038 55.324 56.400 -0.063 0.000 0.943 36 E CB -0.363 29.315 29.700 -0.038 0.000 0.961 36 E HN 0.370 nan 8.360 nan 0.000 0.443 37 P HA -0.167 nan 4.420 nan 0.000 0.223 37 P C 0.857 178.194 177.300 0.061 0.000 1.144 37 P CA 1.135 64.250 63.100 0.024 0.000 0.783 37 P CB 0.121 31.842 31.700 0.035 0.000 0.771 38 S N -0.939 114.815 115.700 0.091 0.000 2.474 38 S HA -0.123 4.350 4.470 0.006 0.000 0.235 38 S C 1.842 176.503 174.600 0.101 0.000 0.997 38 S CA 0.385 58.671 58.200 0.144 0.000 0.949 38 S CB -1.534 61.747 63.200 0.135 0.000 0.766 38 S HN 0.064 nan 8.310 nan 0.000 0.517 39 I N 2.338 122.951 120.570 0.072 0.000 2.300 39 I HA -0.293 3.880 4.170 0.006 0.000 0.252 39 I C 2.475 178.580 176.117 -0.020 0.000 1.119 39 I CA 1.319 62.639 61.300 0.035 0.000 1.384 39 I CB -0.267 37.729 38.000 -0.006 0.000 1.062 39 I HN 0.279 nan 8.210 nan 0.000 0.426 40 R N 0.006 120.499 120.500 -0.011 0.000 2.249 40 R HA -0.330 4.013 4.340 0.006 0.000 0.229 40 R C 2.487 178.740 176.300 -0.078 0.000 1.104 40 R CA 2.726 58.820 56.100 -0.010 0.000 0.876 40 R CB -1.071 29.244 30.300 0.025 0.000 0.871 40 R HN 0.394 nan 8.270 nan 0.000 0.426 41 S N -1.016 114.555 115.700 -0.214 0.000 2.392 41 S HA -0.158 4.315 4.470 0.006 0.000 0.232 41 S C 1.877 176.336 174.600 -0.235 0.000 1.041 41 S CA 1.626 59.653 58.200 -0.287 0.000 1.026 41 S CB -0.263 62.556 63.200 -0.635 0.000 0.845 41 S HN 0.335 nan 8.310 nan 0.000 0.465 42 V N 1.807 121.582 119.914 -0.232 0.000 2.244 42 V HA -0.182 3.942 4.120 0.006 0.000 0.244 42 V C 2.564 178.604 176.094 -0.089 0.000 1.042 42 V CA 1.669 63.848 62.300 -0.202 0.000 1.006 42 V CB -0.727 31.000 31.823 -0.161 0.000 0.641 42 V HN 0.429 nan 8.190 nan 0.000 0.446 43 M N -0.041 119.530 119.600 -0.048 0.000 2.073 43 M HA -0.252 4.232 4.480 0.006 0.000 0.258 43 M C 2.343 178.707 176.300 0.107 0.000 1.070 43 M CA 1.898 57.210 55.300 0.020 0.000 1.103 43 M CB -1.446 31.150 32.600 -0.006 0.000 1.321 43 M HN 0.494 nan 8.290 nan 0.000 0.405 44 Q N 0.071 119.928 119.800 0.095 0.000 2.112 44 Q HA -0.218 4.126 4.340 0.006 0.000 0.206 44 Q C 1.987 178.031 176.000 0.073 0.000 0.987 44 Q CA 1.683 57.566 55.803 0.134 0.000 0.858 44 Q CB 0.097 28.871 28.738 0.059 0.000 0.905 44 Q HN 0.451 nan 8.270 nan 0.000 0.420 45 K N -0.740 119.670 120.400 0.017 0.000 2.076 45 K HA -0.146 4.177 4.320 0.006 0.000 0.204 45 K C 1.994 178.614 176.600 0.033 0.000 1.051 45 K CA 0.919 57.201 56.287 -0.008 0.000 0.949 45 K CB -0.324 32.135 32.500 -0.070 0.000 0.726 45 K HN 0.270 nan 8.250 nan 0.000 0.443 46 Y N 2.456 122.722 120.300 -0.057 0.000 2.040 46 Y HA -0.305 4.248 4.550 0.005 0.000 0.275 46 Y C 2.008 177.907 175.900 -0.002 0.000 1.171 46 Y CA 1.533 59.609 58.100 -0.040 0.000 1.123 46 Y CB -0.406 38.026 38.460 -0.046 0.000 0.963 46 Y HN -0.078 nan 8.280 nan 0.000 0.493 47 L N 0.231 121.516 121.223 0.102 0.000 2.042 47 L HA -0.260 4.083 4.340 0.006 0.000 0.210 47 L C 2.448 179.319 176.870 0.001 0.000 1.076 47 L CA 2.305 57.178 54.840 0.055 0.000 0.749 47 L CB -1.234 40.944 42.059 0.198 0.000 0.893 47 L HN 0.413 nan 8.230 nan 0.000 0.432 48 E N -0.186 120.027 120.200 0.021 0.000 2.110 48 E HA -0.226 4.128 4.350 0.006 0.000 0.193 48 E C 1.706 178.286 176.600 -0.033 0.000 0.988 48 E CA 1.048 57.454 56.400 0.010 0.000 0.804 48 E CB 0.195 29.895 29.700 0.001 0.000 0.745 48 E HN 0.362 nan 8.360 nan 0.000 0.458 49 D N -0.062 120.290 120.400 -0.081 0.000 2.117 49 D HA -0.114 4.530 4.640 0.006 0.000 0.197 49 D C 1.508 177.743 176.300 -0.109 0.000 0.987 49 D CA 0.970 54.909 54.000 -0.102 0.000 0.829 49 D CB -0.007 40.707 40.800 -0.142 0.000 0.961 49 D HN 0.011 nan 8.370 nan 0.000 0.460 50 R N -0.712 119.696 120.500 -0.153 0.000 2.313 50 R HA 0.201 4.545 4.340 0.006 0.000 0.199 50 R C 0.978 177.255 176.300 -0.039 0.000 0.958 50 R CA 0.503 56.534 56.100 -0.115 0.000 1.047 50 R CB 0.283 30.482 30.300 -0.168 0.000 0.955 50 R HN 0.143 nan 8.270 nan 0.000 0.481 51 G N 1.193 109.985 108.800 -0.013 0.000 2.198 51 G HA2 -0.277 3.686 3.960 0.006 0.000 0.257 51 G HA3 -0.277 3.686 3.960 0.006 0.000 0.257 51 G C 0.200 175.137 174.900 0.062 0.000 1.042 51 G CA 0.162 45.277 45.100 0.026 0.000 0.791 51 G HN 0.458 nan 8.290 nan 0.000 0.502 52 E N -0.593 119.655 120.200 0.081 0.000 2.451 52 E HA 0.168 4.522 4.350 0.006 0.000 0.194 52 E C 1.764 178.495 176.600 0.218 0.000 1.027 52 E CA 0.564 57.042 56.400 0.130 0.000 0.914 52 E CB 0.445 30.218 29.700 0.122 0.000 1.054 52 E HN 0.733 nan 8.360 nan 0.000 0.461 53 V N -0.903 119.144 119.914 0.221 0.000 3.342 53 V HA 0.070 4.194 4.120 0.006 0.000 0.322 53 V C 0.976 177.304 176.094 0.391 0.000 1.370 53 V CA -0.282 62.210 62.300 0.320 0.000 1.170 53 V CB -0.904 31.054 31.823 0.225 0.000 1.101 53 V HN 0.072 nan 8.190 nan 0.000 0.442 54 T N -3.122 111.599 114.554 0.280 0.000 2.860 54 T HA 0.276 4.629 4.350 0.006 0.000 0.299 54 T C 0.757 175.532 174.700 0.124 0.000 1.045 54 T CA 0.070 62.319 62.100 0.248 0.000 1.071 54 T CB 1.196 70.136 68.868 0.119 0.000 0.985 54 T HN 0.205 nan 8.240 nan 0.000 0.537 55 F N 1.902 121.679 119.950 -0.288 0.000 2.027 55 F HA -0.130 4.400 4.527 0.006 0.000 0.297 55 F C 2.278 177.821 175.800 -0.429 0.000 1.129 55 F CA 2.262 59.706 58.000 -0.926 0.000 1.195 55 F CB -0.753 37.830 39.000 -0.695 0.000 0.960 55 F HN 0.876 nan 8.300 nan 0.000 0.485 56 E N 0.351 120.392 120.200 -0.265 0.000 2.021 56 E HA -0.261 4.092 4.350 0.006 0.000 0.200 56 E C 2.112 178.584 176.600 -0.212 0.000 1.015 56 E CA 1.711 57.961 56.400 -0.250 0.000 0.824 56 E CB -0.405 29.277 29.700 -0.029 0.000 0.762 56 E HN 0.310 nan 8.360 nan 0.000 0.454 57 K N 0.427 120.774 120.400 -0.089 0.000 2.173 57 K HA -0.178 4.145 4.320 0.006 0.000 0.207 57 K C 2.075 178.647 176.600 -0.046 0.000 1.046 57 K CA 1.156 57.428 56.287 -0.024 0.000 0.929 57 K CB -0.253 32.274 32.500 0.044 0.000 0.720 57 K HN 0.315 nan 8.250 nan 0.000 0.453 58 I N -1.018 119.460 120.570 -0.153 0.000 3.030 58 I HA -0.121 4.052 4.170 0.006 0.000 0.270 58 I C 1.937 177.843 176.117 -0.352 0.000 1.211 58 I CA 0.215 61.380 61.300 -0.224 0.000 1.479 58 I CB -0.051 37.824 38.000 -0.207 0.000 1.105 58 I HN -0.079 nan 8.210 nan 0.000 0.447 59 F N 1.313 120.902 119.950 -0.601 0.000 2.335 59 F HA -0.088 4.442 4.527 0.005 0.000 0.296 59 F C 2.564 178.193 175.800 -0.285 0.000 1.091 59 F CA 1.030 58.687 58.000 -0.573 0.000 1.399 59 F CB 0.011 38.439 39.000 -0.952 0.000 1.067 59 F HN -0.090 nan 8.300 nan 0.000 0.520 60 S N -0.516 115.181 115.700 -0.005 0.000 2.355 60 S HA -0.138 4.335 4.470 0.006 0.000 0.222 60 S C 0.730 175.351 174.600 0.036 0.000 1.031 60 S CA 0.484 58.702 58.200 0.030 0.000 0.993 60 S CB -0.483 62.720 63.200 0.004 0.000 0.859 60 S HN 0.352 nan 8.310 nan 0.000 0.453 61 Q N 1.337 121.154 119.800 0.028 0.000 2.274 61 Q HA 0.102 4.445 4.340 0.006 0.000 0.280 61 Q C 0.861 176.882 176.000 0.036 0.000 1.047 61 Q CA -0.151 55.693 55.803 0.069 0.000 0.907 61 Q CB 0.551 29.384 28.738 0.158 0.000 1.171 61 Q HN 0.069 nan 8.270 nan 0.000 0.381 62 K N 2.902 123.314 120.400 0.020 0.000 2.113 62 K HA -0.185 4.138 4.320 0.006 0.000 0.208 62 K C 1.425 177.921 176.600 -0.173 0.000 1.047 62 K CA 1.617 57.878 56.287 -0.043 0.000 0.928 62 K CB 0.008 32.460 32.500 -0.079 0.000 0.716 62 K HN 0.614 nan 8.250 nan 0.000 0.446 63 L N -1.498 119.621 121.223 -0.172 0.000 2.179 63 L HA 0.073 4.417 4.340 0.006 0.000 0.208 63 L C 2.404 179.230 176.870 -0.073 0.000 1.096 63 L CA 0.951 55.623 54.840 -0.279 0.000 0.779 63 L CB -0.920 41.052 42.059 -0.145 0.000 0.922 63 L HN 0.327 nan 8.230 nan 0.000 0.443 64 G N 0.093 108.884 108.800 -0.015 0.000 2.514 64 G HA2 -0.384 3.580 3.960 0.006 0.000 0.217 64 G HA3 -0.384 3.580 3.960 0.006 0.000 0.217 64 G C 1.520 176.259 174.900 -0.268 0.000 1.198 64 G CA 1.120 46.051 45.100 -0.280 0.000 0.780 64 G HN 0.332 nan 8.290 nan 0.000 0.565 65 Y N 1.104 121.155 120.300 -0.415 0.000 2.128 65 Y HA -0.044 4.509 4.550 0.005 0.000 0.284 65 Y C 2.513 178.231 175.900 -0.303 0.000 1.154 65 Y CA 1.602 59.368 58.100 -0.557 0.000 1.149 65 Y CB -0.777 37.362 38.460 -0.535 0.000 0.976 65 Y HN 0.140 nan 8.280 nan 0.000 0.505 66 L N -0.588 120.359 121.223 -0.461 0.000 2.083 66 L HA -0.224 4.119 4.340 0.006 0.000 0.209 66 L C 2.399 179.152 176.870 -0.195 0.000 1.083 66 L CA 1.349 55.884 54.840 -0.508 0.000 0.752 66 L CB -0.346 41.395 42.059 -0.530 0.000 0.899 66 L HN 0.325 nan 8.230 nan 0.000 0.433 67 L N -2.208 119.013 121.223 -0.004 0.000 2.179 67 L HA -0.177 4.166 4.340 0.006 0.000 0.208 67 L C 2.292 179.333 176.870 0.284 0.000 1.096 67 L CA 0.485 55.467 54.840 0.237 0.000 0.779 67 L CB -0.359 41.940 42.059 0.399 0.000 0.922 67 L HN 0.247 nan 8.230 nan 0.000 0.443 68 F N 1.803 121.656 119.950 -0.161 0.000 2.102 68 F HA -0.224 4.306 4.527 0.005 0.000 0.298 68 F C 2.727 178.483 175.800 -0.073 0.000 1.105 68 F CA 1.786 59.540 58.000 -0.411 0.000 1.239 68 F CB -0.326 38.274 39.000 -0.667 0.000 0.991 68 F HN 0.028 nan 8.300 nan 0.000 0.474 69 R N -0.287 120.097 120.500 -0.193 0.000 2.115 69 R HA -0.134 4.210 4.340 0.006 0.000 0.230 69 R C 1.684 177.921 176.300 -0.105 0.000 1.111 69 R CA 1.823 57.790 56.100 -0.222 0.000 0.976 69 R CB -1.126 29.033 30.300 -0.236 0.000 0.870 69 R HN 0.124 nan 8.270 nan 0.000 0.445 70 D N 0.194 120.593 120.400 -0.002 0.000 2.178 70 D HA -0.135 4.508 4.640 0.006 0.000 0.201 70 D C 1.385 177.778 176.300 0.155 0.000 0.980 70 D CA 0.866 54.910 54.000 0.074 0.000 0.842 70 D CB -0.139 40.750 40.800 0.147 0.000 0.948 70 D HN 0.295 nan 8.370 nan 0.000 0.472 71 F N 0.402 120.423 119.950 0.119 0.000 2.206 71 F HA -0.106 4.424 4.527 0.005 0.000 0.298 71 F C 2.029 177.895 175.800 0.111 0.000 1.090 71 F CA 0.857 59.003 58.000 0.243 0.000 1.323 71 F CB -0.378 38.889 39.000 0.445 0.000 1.028 71 F HN -0.027 nan 8.300 nan 0.000 0.492 72 C N 0.755 119.858 119.300 -0.327 0.000 2.476 72 C HA -0.047 4.416 4.460 0.006 0.000 0.278 72 C C 2.796 177.618 174.990 -0.279 0.000 1.274 72 C CA 0.769 59.519 59.018 -0.448 0.000 1.713 72 C CB -1.390 26.123 27.740 -0.378 0.000 2.039 72 C HN 0.505 nan 8.230 nan 0.000 0.484 73 L N 0.176 121.292 121.223 -0.179 0.000 2.376 73 L HA -0.085 4.258 4.340 0.006 0.000 0.219 73 L C 2.503 179.283 176.870 -0.150 0.000 1.133 73 L CA 1.337 56.103 54.840 -0.122 0.000 0.816 73 L CB -0.339 41.674 42.059 -0.077 0.000 0.933 73 L HN 0.431 nan 8.230 nan 0.000 0.449 74 K N -2.009 118.252 120.400 -0.231 0.000 2.306 74 K HA 0.069 4.392 4.320 0.006 0.000 0.200 74 K C 1.789 178.136 176.600 -0.422 0.000 1.083 74 K CA 0.219 56.285 56.287 -0.369 0.000 0.959 74 K CB 0.408 32.575 32.500 -0.554 0.000 0.994 74 K HN 0.256 nan 8.250 nan 0.000 0.492 75 H N -0.663 118.342 119.070 -0.109 0.000 2.481 75 H HA 0.118 4.678 4.556 0.006 0.000 0.291 75 H C 0.221 175.460 175.328 -0.148 0.000 1.009 75 H CA -0.057 55.939 56.048 -0.086 0.000 1.282 75 H CB 0.205 29.982 29.762 0.026 0.000 1.457 75 H HN -0.002 nan 8.280 nan 0.000 0.525 76 L N 1.929 123.014 121.223 -0.231 0.000 2.375 76 L HA 0.104 4.447 4.340 0.006 0.000 0.271 76 L C 1.372 178.178 176.870 -0.107 0.000 1.107 76 L CA 0.073 54.798 54.840 -0.190 0.000 0.806 76 L CB 1.219 43.074 42.059 -0.339 0.000 1.146 76 L HN -0.071 nan 8.230 nan 0.000 0.447 77 E N 1.675 121.850 120.200 -0.042 0.000 2.022 77 E HA -0.135 4.219 4.350 0.006 0.000 0.190 77 E C 1.483 178.073 176.600 -0.016 0.000 0.973 77 E CA 1.550 57.938 56.400 -0.021 0.000 0.816 77 E CB 0.004 29.705 29.700 0.001 0.000 0.781 77 E HN 0.835 nan 8.360 nan 0.000 0.456 78 E N 0.588 120.786 120.200 -0.003 0.000 2.472 78 E HA 0.019 4.372 4.350 0.006 0.000 0.200 78 E C 1.621 178.228 176.600 0.013 0.000 1.046 78 E CA 0.866 57.270 56.400 0.008 0.000 0.871 78 E CB -0.040 29.667 29.700 0.011 0.000 0.806 78 E HN 0.143 nan 8.360 nan 0.000 0.533 79 A N 1.979 124.789 122.820 -0.017 0.000 1.874 79 A HA -0.116 4.207 4.320 0.006 0.000 0.214 79 A C 1.929 179.512 177.584 -0.002 0.000 1.189 79 A CA 1.136 53.157 52.037 -0.027 0.000 0.615 79 A CB -0.261 18.663 19.000 -0.126 0.000 0.830 79 A HN 0.103 nan 8.150 nan 0.000 0.443 80 K N -0.408 119.980 120.400 -0.019 0.000 2.007 80 K HA -0.245 4.079 4.320 0.006 0.000 0.231 80 K C -0.590 176.066 176.600 0.093 0.000 1.044 80 K CA 2.500 58.796 56.287 0.015 0.000 0.996 80 K CB -1.575 30.933 32.500 0.013 0.000 0.738 80 K HN 0.389 nan 8.250 nan 0.000 0.447 81 P HA -0.147 nan 4.420 nan 0.000 0.215 81 P C 1.552 179.026 177.300 0.291 0.000 1.157 81 P CA 1.437 64.678 63.100 0.235 0.000 0.863 81 P CB -0.253 31.572 31.700 0.208 0.000 0.787 82 L N -1.123 120.255 121.223 0.258 0.000 2.051 82 L HA -0.195 4.149 4.340 0.006 0.000 0.214 82 L C 2.440 179.481 176.870 0.285 0.000 1.076 82 L CA 1.670 56.702 54.840 0.320 0.000 0.758 82 L CB -1.642 40.546 42.059 0.216 0.000 0.890 82 L HN -0.107 nan 8.230 nan 0.000 0.433 83 V N -0.374 119.656 119.914 0.193 0.000 2.273 83 V HA -0.183 3.940 4.120 0.006 0.000 0.242 83 V C 2.316 178.536 176.094 0.210 0.000 1.035 83 V CA 1.542 63.958 62.300 0.193 0.000 1.013 83 V CB -0.584 31.289 31.823 0.084 0.000 0.652 83 V HN 0.355 nan 8.190 nan 0.000 0.452 84 E N -0.218 120.083 120.200 0.168 0.000 2.187 84 E HA -0.280 4.074 4.350 0.006 0.000 0.199 84 E C 1.986 178.602 176.600 0.027 0.000 1.004 84 E CA 1.818 58.304 56.400 0.144 0.000 0.813 84 E CB -0.255 29.583 29.700 0.229 0.000 0.736 84 E HN 0.553 nan 8.360 nan 0.000 0.468 85 F N 0.176 119.982 119.950 -0.239 0.000 2.098 85 F HA -0.187 4.343 4.527 0.005 0.000 0.294 85 F C 2.108 177.739 175.800 -0.282 0.000 1.107 85 F CA 1.209 58.846 58.000 -0.605 0.000 1.234 85 F CB -0.885 37.905 39.000 -0.349 0.000 1.002 85 F HN 0.008 nan 8.300 nan 0.000 0.472 86 Y N 1.507 121.695 120.300 -0.188 0.000 2.097 86 Y HA -0.233 4.320 4.550 0.006 0.000 0.282 86 Y C 2.482 178.297 175.900 -0.141 0.000 1.152 86 Y CA 2.471 60.442 58.100 -0.216 0.000 1.136 86 Y CB -0.674 37.770 38.460 -0.027 0.000 0.975 86 Y HN 0.192 nan 8.280 nan 0.000 0.498 87 E N -0.473 119.760 120.200 0.055 0.000 2.160 87 E HA -0.266 4.087 4.350 0.006 0.000 0.195 87 E C 1.971 178.512 176.600 -0.098 0.000 0.991 87 E CA 1.453 57.865 56.400 0.020 0.000 0.810 87 E CB -0.088 29.687 29.700 0.125 0.000 0.742 87 E HN 0.484 nan 8.360 nan 0.000 0.466 88 E N 0.703 120.812 120.200 -0.151 0.000 2.158 88 E HA -0.049 4.304 4.350 0.006 0.000 0.191 88 E C 1.850 178.287 176.600 -0.271 0.000 0.982 88 E CA 0.392 56.688 56.400 -0.172 0.000 0.823 88 E CB 0.020 29.608 29.700 -0.187 0.000 0.766 88 E HN 0.207 nan 8.360 nan 0.000 0.468 89 I N 0.387 120.705 120.570 -0.420 0.000 2.252 89 I HA -0.250 3.923 4.170 0.006 0.000 0.245 89 I C 2.081 178.022 176.117 -0.292 0.000 1.102 89 I CA 0.825 61.836 61.300 -0.482 0.000 1.385 89 I CB -0.167 37.474 38.000 -0.599 0.000 1.064 89 I HN 0.039 nan 8.210 nan 0.000 0.414 90 K N 1.103 121.292 120.400 -0.352 0.000 2.063 90 K HA -0.199 4.125 4.320 0.006 0.000 0.208 90 K C 2.007 178.537 176.600 -0.117 0.000 1.048 90 K CA 1.419 57.559 56.287 -0.246 0.000 0.928 90 K CB -0.336 32.010 32.500 -0.256 0.000 0.713 90 K HN 0.337 nan 8.250 nan 0.000 0.442 91 K N -0.464 119.882 120.400 -0.091 0.000 2.097 91 K HA -0.171 4.152 4.320 0.006 0.000 0.206 91 K C 2.167 178.751 176.600 -0.026 0.000 1.049 91 K CA 1.141 57.400 56.287 -0.047 0.000 0.933 91 K CB -0.227 32.254 32.500 -0.031 0.000 0.717 91 K HN 0.127 nan 8.250 nan 0.000 0.442 92 Y N 2.231 122.442 120.300 -0.148 0.000 2.114 92 Y HA -0.215 4.339 4.550 0.006 0.000 0.284 92 Y C 1.812 177.676 175.900 -0.060 0.000 1.143 92 Y CA 1.653 59.682 58.100 -0.119 0.000 1.135 92 Y CB -0.113 38.216 38.460 -0.219 0.000 0.980 92 Y HN 0.072 nan 8.280 nan 0.000 0.499 93 E N 0.059 120.214 120.200 -0.075 0.000 2.097 93 E HA -0.279 4.074 4.350 0.006 0.000 0.196 93 E C 1.968 178.471 176.600 -0.162 0.000 1.000 93 E CA 1.707 58.030 56.400 -0.128 0.000 0.804 93 E CB -0.196 29.488 29.700 -0.027 0.000 0.740 93 E HN 0.288 nan 8.360 nan 0.000 0.454 94 K N 0.188 120.519 120.400 -0.116 0.000 2.442 94 K HA 0.027 4.350 4.320 0.006 0.000 0.198 94 K C 0.466 177.007 176.600 -0.098 0.000 1.042 94 K CA 0.271 56.509 56.287 -0.081 0.000 0.958 94 K CB 0.084 32.551 32.500 -0.054 0.000 0.766 94 K HN 0.024 nan 8.250 nan 0.000 0.474 95 L N 0.306 121.434 121.223 -0.158 0.000 2.439 95 L HA 0.094 4.437 4.340 0.006 0.000 0.261 95 L C 1.149 177.941 176.870 -0.130 0.000 1.153 95 L CA -0.116 54.642 54.840 -0.137 0.000 0.808 95 L CB 1.126 43.100 42.059 -0.142 0.000 1.126 95 L HN 0.173 nan 8.230 nan 0.000 0.460 96 E N 0.070 120.218 120.200 -0.087 0.000 2.067 96 E HA 0.011 4.364 4.350 0.006 0.000 0.194 96 E C 0.511 177.078 176.600 -0.055 0.000 0.950 96 E CA 0.405 56.767 56.400 -0.064 0.000 0.872 96 E CB 0.039 29.710 29.700 -0.049 0.000 0.877 96 E HN 0.757 nan 8.360 nan 0.000 0.470 97 T N -0.684 113.844 114.554 -0.043 0.000 2.788 97 T HA 0.052 4.405 4.350 0.006 0.000 0.287 97 T C 1.063 175.746 174.700 -0.028 0.000 1.007 97 T CA -0.314 61.769 62.100 -0.029 0.000 1.005 97 T CB 1.695 70.552 68.868 -0.018 0.000 1.012 97 T HN 0.122 nan 8.240 nan 0.000 0.530 98 E N 0.094 120.286 120.200 -0.013 0.000 2.118 98 E HA -0.165 4.188 4.350 0.006 0.000 0.195 98 E C 1.915 178.522 176.600 0.011 0.000 0.992 98 E CA 1.380 57.780 56.400 -0.001 0.000 0.804 98 E CB 0.042 29.745 29.700 0.004 0.000 0.741 98 E HN 0.772 nan 8.360 nan 0.000 0.458 99 E N -0.158 120.046 120.200 0.007 0.000 2.299 99 E HA -0.103 4.250 4.350 0.006 0.000 0.193 99 E C 1.742 178.355 176.600 0.021 0.000 0.998 99 E CA 0.420 56.829 56.400 0.015 0.000 0.851 99 E CB 0.152 29.858 29.700 0.009 0.000 0.795 99 E HN 0.389 nan 8.360 nan 0.000 0.492 100 E N 0.840 121.046 120.200 0.010 0.000 2.107 100 E HA -0.087 4.267 4.350 0.006 0.000 0.191 100 E C 2.051 178.678 176.600 0.044 0.000 0.982 100 E CA 0.539 56.948 56.400 0.015 0.000 0.809 100 E CB 0.040 29.735 29.700 -0.009 0.000 0.756 100 E HN 0.048 nan 8.360 nan 0.000 0.459 101 R N 0.246 120.769 120.500 0.038 0.000 2.119 101 R HA -0.039 4.304 4.340 0.006 0.000 0.222 101 R C 2.237 178.695 176.300 0.264 0.000 1.088 101 R CA 0.271 56.439 56.100 0.113 0.000 0.984 101 R CB -0.115 30.149 30.300 -0.061 0.000 0.884 101 R HN 0.076 nan 8.270 nan 0.000 0.447 102 L N 0.503 121.817 121.223 0.152 0.000 2.042 102 L HA -0.169 4.174 4.340 0.006 0.000 0.210 102 L C 1.881 178.822 176.870 0.119 0.000 1.076 102 L CA 1.716 56.635 54.840 0.131 0.000 0.749 102 L CB -0.402 41.699 42.059 0.069 0.000 0.893 102 L HN -0.050 nan 8.230 nan 0.000 0.432 103 V N -1.737 118.235 119.914 0.098 0.000 2.323 103 V HA -0.291 3.832 4.120 0.006 0.000 0.244 103 V C 2.716 178.871 176.094 0.102 0.000 1.041 103 V CA 1.571 63.917 62.300 0.077 0.000 1.025 103 V CB -0.654 31.201 31.823 0.053 0.000 0.656 103 V HN 0.702 nan 8.190 nan 0.000 0.451 104 C N 1.133 120.515 119.300 0.137 0.000 2.401 104 C HA -0.192 4.271 4.460 0.006 0.000 0.276 104 C C 3.392 178.450 174.990 0.114 0.000 1.233 104 C CA 1.787 60.890 59.018 0.142 0.000 1.753 104 C CB -1.100 26.765 27.740 0.209 0.000 2.029 104 C HN 0.788 nan 8.230 nan 0.000 0.478 105 S N 0.374 116.172 115.700 0.163 0.000 2.383 105 S HA -0.219 4.254 4.470 0.006 0.000 0.229 105 S C 1.933 176.646 174.600 0.189 0.000 1.030 105 S CA 1.512 59.788 58.200 0.127 0.000 1.002 105 S CB -0.665 62.662 63.200 0.212 0.000 0.829 105 S HN 0.750 nan 8.310 nan 0.000 0.467 106 R N 1.283 121.862 120.500 0.133 0.000 2.082 106 R HA -0.086 4.257 4.340 0.006 0.000 0.234 106 R C 2.676 179.058 176.300 0.137 0.000 1.136 106 R CA 2.089 58.248 56.100 0.099 0.000 0.935 106 R CB -0.441 29.883 30.300 0.038 0.000 0.842 106 R HN 0.616 nan 8.270 nan 0.000 0.430 107 E N 0.244 120.506 120.200 0.104 0.000 2.049 107 E HA -0.243 4.111 4.350 0.006 0.000 0.198 107 E C 2.030 178.715 176.600 0.141 0.000 1.007 107 E CA 1.699 58.157 56.400 0.097 0.000 0.809 107 E CB -0.253 29.494 29.700 0.079 0.000 0.749 107 E HN 0.325 nan 8.360 nan 0.000 0.450 108 I N 0.339 121.001 120.570 0.152 0.000 2.151 108 I HA -0.310 3.863 4.170 0.006 0.000 0.243 108 I C 2.259 178.515 176.117 0.232 0.000 1.080 108 I CA 1.240 62.660 61.300 0.200 0.000 1.339 108 I CB -0.355 37.598 38.000 -0.079 0.000 1.039 108 I HN 0.083 nan 8.210 nan 0.000 0.409 109 F N 1.527 121.533 119.950 0.093 0.000 2.043 109 F HA -0.354 4.176 4.527 0.005 0.000 0.297 109 F C 2.495 178.289 175.800 -0.011 0.000 1.121 109 F CA 2.267 60.294 58.000 0.046 0.000 1.199 109 F CB -0.325 38.694 39.000 0.033 0.000 0.968 109 F HN 0.132 nan 8.300 nan 0.000 0.478 110 D N -0.750 119.832 120.400 0.304 0.000 2.103 110 D HA -0.184 4.459 4.640 0.006 0.000 0.190 110 D C 2.062 178.352 176.300 -0.016 0.000 0.997 110 D CA 2.283 56.365 54.000 0.136 0.000 0.833 110 D CB -0.142 40.705 40.800 0.079 0.000 0.961 110 D HN 0.304 nan 8.370 nan 0.000 0.447 111 T N -0.817 113.691 114.554 -0.077 0.000 2.701 111 T HA -0.139 4.214 4.350 0.006 0.000 0.263 111 T C 1.706 176.110 174.700 -0.493 0.000 1.040 111 T CA 1.115 63.020 62.100 -0.325 0.000 1.147 111 T CB -0.378 68.213 68.868 -0.461 0.000 0.865 111 T HN 0.249 nan 8.240 nan 0.000 0.426 112 Y N -0.235 119.929 120.300 -0.225 0.000 2.481 112 Y HA 0.428 4.981 4.550 0.005 0.000 0.258 112 Y C 1.877 177.547 175.900 -0.383 0.000 1.103 112 Y CA -0.212 57.627 58.100 -0.435 0.000 1.287 112 Y CB 0.006 37.886 38.460 -0.967 0.000 1.108 112 Y HN 0.176 nan 8.280 nan 0.000 0.529 113 I N -2.019 118.385 120.570 -0.277 0.000 3.341 113 I HA -0.071 4.103 4.170 0.006 0.000 0.243 113 I C 1.866 177.722 176.117 -0.434 0.000 1.094 113 I CA 0.334 61.316 61.300 -0.529 0.000 1.507 113 I CB -0.268 37.320 38.000 -0.687 0.000 1.441 113 I HN 0.073 nan 8.210 nan 0.000 0.465 114 M N 1.561 121.014 119.600 -0.245 0.000 2.200 114 M HA -0.195 4.288 4.480 0.006 0.000 0.261 114 M C 2.295 178.542 176.300 -0.088 0.000 1.074 114 M CA 2.079 57.326 55.300 -0.088 0.000 1.098 114 M CB -0.349 32.300 32.600 0.082 0.000 1.268 114 M HN -0.050 nan 8.290 nan 0.000 0.432 115 K N -0.374 119.980 120.400 -0.076 0.000 2.089 115 K HA -0.255 4.069 4.320 0.006 0.000 0.210 115 K C 2.043 178.607 176.600 -0.062 0.000 1.048 115 K CA 2.015 58.261 56.287 -0.068 0.000 0.926 115 K CB -0.490 31.956 32.500 -0.091 0.000 0.714 115 K HN 0.543 nan 8.250 nan 0.000 0.448 116 E N 0.675 120.833 120.200 -0.071 0.000 2.153 116 E HA -0.130 4.224 4.350 0.006 0.000 0.194 116 E C 1.968 178.578 176.600 0.017 0.000 0.988 116 E CA 0.591 56.994 56.400 0.005 0.000 0.811 116 E CB 0.008 29.782 29.700 0.124 0.000 0.746 116 E HN 0.223 nan 8.360 nan 0.000 0.466 117 L N 0.391 121.580 121.223 -0.056 0.000 2.291 117 L HA -0.125 4.218 4.340 0.006 0.000 0.214 117 L C 2.184 179.052 176.870 -0.004 0.000 1.120 117 L CA 0.288 55.109 54.840 -0.031 0.000 0.799 117 L CB -0.086 41.919 42.059 -0.091 0.000 0.925 117 L HN 0.209 nan 8.230 nan 0.000 0.446 118 L N -0.231 120.985 121.223 -0.012 0.000 2.012 118 L HA -0.185 4.158 4.340 0.006 0.000 0.210 118 L C 2.035 178.908 176.870 0.004 0.000 1.073 118 L CA 1.393 56.231 54.840 -0.004 0.000 0.748 118 L CB -0.366 41.688 42.059 -0.010 0.000 0.891 118 L HN 0.246 nan 8.230 nan 0.000 0.431 119 A N -1.223 121.601 122.820 0.007 0.000 2.577 119 A HA 0.159 4.483 4.320 0.006 0.000 0.280 119 A C 1.401 179.000 177.584 0.025 0.000 1.331 119 A CA 0.180 52.224 52.037 0.012 0.000 0.935 119 A CB -1.105 17.899 19.000 0.007 0.000 1.082 119 A HN 0.740 nan 8.150 nan 0.000 0.525 120 C N -2.391 116.931 119.300 0.036 0.000 4.085 120 C HA -0.227 4.236 4.460 0.006 0.000 0.292 120 C C 1.298 176.328 174.990 0.067 0.000 1.517 120 C CA 0.433 59.483 59.018 0.054 0.000 2.072 120 C CB -3.506 24.256 27.740 0.036 0.000 1.308 120 C HN 0.587 nan 8.230 nan 0.000 0.788 121 S N -0.819 114.924 115.700 0.072 0.000 2.851 121 S HA 0.059 4.533 4.470 0.006 0.000 0.227 121 S C 0.320 174.990 174.600 0.117 0.000 0.958 121 S CA 0.450 58.689 58.200 0.066 0.000 0.990 121 S CB -0.431 62.798 63.200 0.049 0.000 0.790 121 S HN 0.905 nan 8.310 nan 0.000 0.509 122 H N 2.751 121.847 119.070 0.044 0.000 2.597 122 H HA 0.355 4.915 4.556 0.005 0.000 0.303 122 H C -2.534 172.809 175.328 0.024 0.000 1.057 122 H CA -1.804 54.315 56.048 0.119 0.000 1.261 122 H CB 0.936 30.801 29.762 0.172 0.000 1.397 122 H HN -0.047 nan 8.280 nan 0.000 0.461 123 P HA 0.216 nan 4.420 nan 0.000 0.206 123 P C -1.287 175.424 177.300 -0.982 0.000 1.854 123 P CA -0.142 62.629 63.100 -0.548 0.000 0.969 123 P CB -0.368 30.997 31.700 -0.557 0.000 1.843 124 F N -0.205 119.654 119.950 -0.152 0.000 2.576 124 F HA 0.375 4.906 4.527 0.006 0.000 0.313 124 F C 1.090 176.839 175.800 -0.086 0.000 1.078 124 F CA -0.763 57.135 58.000 -0.171 0.000 0.921 124 F CB 1.560 40.375 39.000 -0.308 0.000 1.232 124 F HN -0.134 nan 8.300 nan 0.000 0.459 125 S N 1.469 117.211 115.700 0.071 0.000 2.580 125 S HA 0.162 4.635 4.470 0.006 0.000 0.266 125 S C 1.074 175.697 174.600 0.038 0.000 1.354 125 S CA -0.596 57.617 58.200 0.022 0.000 1.008 125 S CB 0.946 64.139 63.200 -0.013 0.000 0.898 125 S HN 0.739 nan 8.310 nan 0.000 0.555 126 K N 1.109 121.527 120.400 0.029 0.000 1.969 126 K HA -0.149 4.174 4.320 0.006 0.000 0.216 126 K C 2.748 179.366 176.600 0.031 0.000 1.048 126 K CA 1.763 58.072 56.287 0.038 0.000 0.948 126 K CB -0.855 31.662 32.500 0.028 0.000 0.726 126 K HN 0.866 nan 8.250 nan 0.000 0.442 127 S N 1.001 116.707 115.700 0.012 0.000 2.400 127 S HA -0.266 4.207 4.470 0.006 0.000 0.234 127 S C 2.136 176.740 174.600 0.006 0.000 1.049 127 S CA 1.613 59.816 58.200 0.006 0.000 1.039 127 S CB -0.395 62.795 63.200 -0.016 0.000 0.856 127 S HN 0.366 nan 8.310 nan 0.000 0.465 128 A N 2.189 124.991 122.820 -0.030 0.000 1.835 128 A HA 0.090 4.413 4.320 0.006 0.000 0.215 128 A C 2.320 179.921 177.584 0.030 0.000 1.199 128 A CA 1.449 53.436 52.037 -0.084 0.000 0.615 128 A CB -1.062 17.771 19.000 -0.277 0.000 0.838 128 A HN 0.572 nan 8.150 nan 0.000 0.444 129 I N 0.166 120.769 120.570 0.054 0.000 2.113 129 I HA -0.343 3.831 4.170 0.006 0.000 0.242 129 I C 2.403 178.607 176.117 0.145 0.000 1.057 129 I CA 2.159 63.562 61.300 0.172 0.000 1.314 129 I CB -0.627 37.454 38.000 0.136 0.000 1.022 129 I HN 0.515 nan 8.210 nan 0.000 0.408 130 E N -0.815 119.452 120.200 0.112 0.000 2.338 130 E HA -0.249 4.104 4.350 0.006 0.000 0.197 130 E C 1.933 178.609 176.600 0.125 0.000 1.007 130 E CA 0.610 57.075 56.400 0.110 0.000 0.849 130 E CB -0.343 29.409 29.700 0.086 0.000 0.774 130 E HN 0.663 nan 8.360 nan 0.000 0.506 131 H N 0.881 119.952 119.070 0.002 0.000 2.357 131 H HA -0.079 4.480 4.556 0.005 0.000 0.301 131 H C 1.995 177.255 175.328 -0.113 0.000 1.082 131 H CA 1.459 57.462 56.048 -0.076 0.000 1.342 131 H CB 0.453 30.141 29.762 -0.124 0.000 1.389 131 H HN 0.018 nan 8.280 nan 0.000 0.511 132 V N 1.012 120.869 119.914 -0.096 0.000 2.453 132 V HA -0.208 3.915 4.120 0.006 0.000 0.247 132 V C 2.618 178.776 176.094 0.107 0.000 1.048 132 V CA 1.809 64.006 62.300 -0.173 0.000 1.049 132 V CB -0.797 30.929 31.823 -0.161 0.000 0.672 132 V HN 0.357 nan 8.190 nan 0.000 0.457 133 Q N 1.587 121.503 119.800 0.193 0.000 1.948 133 Q HA -0.166 4.177 4.340 0.006 0.000 0.205 133 Q C 2.256 178.350 176.000 0.156 0.000 0.992 133 Q CA 2.557 58.535 55.803 0.292 0.000 0.849 133 Q CB -0.902 27.965 28.738 0.215 0.000 0.918 133 Q HN 0.537 nan 8.270 nan 0.000 0.421 134 G N -1.402 107.469 108.800 0.118 0.000 2.516 134 G HA2 -0.270 3.693 3.960 0.006 0.000 0.221 134 G HA3 -0.270 3.693 3.960 0.006 0.000 0.221 134 G C 0.731 175.705 174.900 0.122 0.000 1.107 134 G CA 1.179 46.343 45.100 0.107 0.000 0.747 134 G HN 0.420 nan 8.290 nan 0.000 0.567 135 H N -0.557 118.456 119.070 -0.095 0.000 2.344 135 H HA 0.260 4.819 4.556 0.005 0.000 0.307 135 H C 2.578 177.856 175.328 -0.084 0.000 1.057 135 H CA 0.389 56.364 56.048 -0.122 0.000 1.373 135 H CB -0.257 29.364 29.762 -0.235 0.000 1.421 135 H HN 0.149 nan 8.280 nan 0.000 0.532 136 L N 0.481 121.732 121.223 0.047 0.000 2.191 136 L HA -0.110 4.234 4.340 0.006 0.000 0.212 136 L C 1.650 178.449 176.870 -0.118 0.000 1.103 136 L CA 0.839 55.645 54.840 -0.056 0.000 0.769 136 L CB -0.139 41.827 42.059 -0.156 0.000 0.908 136 L HN 0.195 nan 8.230 nan 0.000 0.438 137 V N -1.452 118.403 119.914 -0.098 0.000 2.970 137 V HA -0.170 3.954 4.120 0.006 0.000 0.260 137 V C 1.876 177.926 176.094 -0.073 0.000 1.100 137 V CA 1.181 63.424 62.300 -0.094 0.000 1.122 137 V CB -0.546 31.239 31.823 -0.063 0.000 0.721 137 V HN 0.358 nan 8.190 nan 0.000 0.483 138 K N -0.359 119.995 120.400 -0.076 0.000 2.373 138 K HA 0.226 4.550 4.320 0.006 0.000 0.202 138 K C 0.679 177.230 176.600 -0.081 0.000 1.025 138 K CA -0.223 56.014 56.287 -0.085 0.000 1.115 138 K CB 0.257 32.688 32.500 -0.116 0.000 0.858 138 K HN 0.269 nan 8.250 nan 0.000 0.525 139 K N 0.885 121.246 120.400 -0.066 0.000 3.472 139 K HA -0.203 4.120 4.320 0.006 0.000 0.315 139 K C -0.582 175.998 176.600 -0.033 0.000 1.320 139 K CA 1.025 57.289 56.287 -0.039 0.000 0.962 139 K CB -0.910 31.570 32.500 -0.033 0.000 1.251 139 K HN 0.423 nan 8.250 nan 0.000 0.443 140 Q N 0.758 120.508 119.800 -0.083 0.000 2.293 140 Q HA 0.285 4.628 4.340 0.006 0.000 0.263 140 Q C 0.404 176.413 176.000 0.015 0.000 1.002 140 Q CA -0.017 55.728 55.803 -0.097 0.000 0.910 140 Q CB 1.040 29.620 28.738 -0.265 0.000 1.185 140 Q HN 0.162 nan 8.270 nan 0.000 0.401 141 V N -0.703 119.260 119.914 0.081 0.000 2.699 141 V HA 0.316 4.440 4.120 0.006 0.000 0.311 141 V C -2.401 173.821 176.094 0.213 0.000 1.160 141 V CA -1.983 60.439 62.300 0.202 0.000 1.313 141 V CB -0.262 31.696 31.823 0.225 0.000 1.553 141 V HN 0.616 nan 8.190 nan 0.000 0.630 142 P HA 0.217 nan 4.420 nan 0.000 0.266 142 P C -2.193 175.255 177.300 0.247 0.000 1.195 142 P CA -0.972 62.226 63.100 0.164 0.000 0.768 142 P CB 0.724 32.520 31.700 0.159 0.000 0.838 143 P HA -0.153 nan 4.420 nan 0.000 0.225 143 P C 0.733 178.179 177.300 0.242 0.000 1.148 143 P CA 1.307 64.463 63.100 0.093 0.000 0.779 143 P CB -0.215 31.446 31.700 -0.065 0.000 0.780 144 D N -1.085 119.424 120.400 0.182 0.000 2.277 144 D HA -0.127 4.516 4.640 0.006 0.000 0.208 144 D C 1.790 178.193 176.300 0.171 0.000 0.962 144 D CA 0.079 54.168 54.000 0.148 0.000 0.865 144 D CB -1.132 39.725 40.800 0.096 0.000 0.939 144 D HN -0.039 nan 8.370 nan 0.000 0.510 145 L N 0.218 121.554 121.223 0.188 0.000 2.011 145 L HA -0.227 4.117 4.340 0.006 0.000 0.225 145 L C 1.429 178.226 176.870 -0.122 0.000 1.084 145 L CA 1.823 56.645 54.840 -0.031 0.000 0.791 145 L CB -0.992 40.973 42.059 -0.157 0.000 0.898 145 L HN 0.099 nan 8.230 nan 0.000 0.440 146 F N -0.764 119.183 119.950 -0.006 0.000 2.769 146 F HA 0.042 4.573 4.527 0.006 0.000 0.304 146 F C 2.203 177.992 175.800 -0.019 0.000 1.158 146 F CA 0.474 58.427 58.000 -0.078 0.000 1.398 146 F CB -0.461 38.388 39.000 -0.252 0.000 1.094 146 F HN 0.288 nan 8.300 nan 0.000 0.553 147 Q N 1.628 121.507 119.800 0.131 0.000 1.975 147 Q HA -0.162 4.181 4.340 0.006 0.000 0.205 147 Q C -0.602 175.425 176.000 0.046 0.000 0.990 147 Q CA 2.217 58.062 55.803 0.069 0.000 0.845 147 Q CB -1.378 27.382 28.738 0.036 0.000 0.913 147 Q HN 0.117 nan 8.270 nan 0.000 0.420 148 P HA -0.158 nan 4.420 nan 0.000 0.218 148 P C 0.375 177.663 177.300 -0.020 0.000 1.146 148 P CA 1.191 64.265 63.100 -0.044 0.000 0.813 148 P CB -0.123 31.498 31.700 -0.131 0.000 0.778 149 Y N -0.821 119.440 120.300 -0.066 0.000 2.133 149 Y HA -0.146 4.408 4.550 0.006 0.000 0.287 149 Y C 2.416 178.257 175.900 -0.099 0.000 1.134 149 Y CA 1.150 59.174 58.100 -0.128 0.000 1.133 149 Y CB -1.014 37.336 38.460 -0.183 0.000 0.987 149 Y HN -0.184 nan 8.280 nan 0.000 0.502 150 I N 0.312 120.926 120.570 0.074 0.000 2.130 150 I HA -0.482 3.691 4.170 0.006 0.000 0.241 150 I C 2.173 178.319 176.117 0.048 0.000 1.023 150 I CA 2.083 63.424 61.300 0.069 0.000 1.293 150 I CB -0.439 37.601 38.000 0.067 0.000 1.001 150 I HN 0.423 nan 8.210 nan 0.000 0.407 151 E N -0.026 120.181 120.200 0.013 0.000 2.160 151 E HA -0.269 4.084 4.350 0.006 0.000 0.195 151 E C 1.867 178.453 176.600 -0.025 0.000 0.991 151 E CA 1.304 57.689 56.400 -0.026 0.000 0.810 151 E CB -0.181 29.496 29.700 -0.038 0.000 0.742 151 E HN 0.599 nan 8.360 nan 0.000 0.466 152 E N 0.080 120.302 120.200 0.037 0.000 2.442 152 E HA -0.003 4.350 4.350 0.006 0.000 0.195 152 E C 1.892 178.611 176.600 0.199 0.000 1.030 152 E CA -0.042 56.419 56.400 0.103 0.000 0.869 152 E CB 0.206 30.024 29.700 0.197 0.000 0.857 152 E HN 0.290 nan 8.360 nan 0.000 0.505 153 I N -0.074 120.614 120.570 0.197 0.000 2.286 153 I HA -0.254 3.919 4.170 0.006 0.000 0.245 153 I C 2.283 178.374 176.117 -0.043 0.000 1.104 153 I CA 0.310 61.714 61.300 0.173 0.000 1.397 153 I CB -0.457 37.638 38.000 0.158 0.000 1.072 153 I HN 0.185 nan 8.210 nan 0.000 0.417 154 C N 0.564 119.768 119.300 -0.161 0.000 2.388 154 C HA -0.223 4.241 4.460 0.006 0.000 0.277 154 C C 2.877 177.625 174.990 -0.403 0.000 1.210 154 C CA 1.162 59.963 59.018 -0.361 0.000 1.743 154 C CB -0.990 26.571 27.740 -0.298 0.000 2.047 154 C HN 0.518 nan 8.230 nan 0.000 0.458 155 Q N 1.234 120.893 119.800 -0.235 0.000 2.028 155 Q HA -0.193 4.150 4.340 0.006 0.000 0.213 155 Q C 1.908 177.793 176.000 -0.192 0.000 1.017 155 Q CA 1.934 57.620 55.803 -0.195 0.000 0.875 155 Q CB -0.868 27.804 28.738 -0.110 0.000 0.962 155 Q HN 0.671 nan 8.270 nan 0.000 0.413 156 N N -0.714 117.905 118.700 -0.135 0.000 2.289 156 N HA -0.112 4.631 4.740 0.006 0.000 0.184 156 N C 1.670 177.142 175.510 -0.064 0.000 1.016 156 N CA 0.935 53.925 53.050 -0.100 0.000 0.872 156 N CB 0.007 38.435 38.487 -0.099 0.000 0.973 156 N HN 0.237 nan 8.380 nan 0.000 0.433 157 L N 0.442 121.599 121.223 -0.110 0.000 2.209 157 L HA 0.004 4.347 4.340 0.006 0.000 0.207 157 L C 2.507 179.275 176.870 -0.169 0.000 1.094 157 L CA 0.409 55.243 54.840 -0.010 0.000 0.790 157 L CB -0.172 41.962 42.059 0.127 0.000 0.932 157 L HN 0.032 nan 8.230 nan 0.000 0.447 158 R N 0.319 120.500 120.500 -0.532 0.000 2.120 158 R HA -0.094 4.249 4.340 0.006 0.000 0.234 158 R C 1.804 178.060 176.300 -0.074 0.000 1.123 158 R CA 1.360 57.123 56.100 -0.561 0.000 0.975 158 R CB -0.312 29.632 30.300 -0.593 0.000 0.866 158 R HN 0.330 nan 8.270 nan 0.000 0.446 159 G N -0.054 108.731 108.800 -0.026 0.000 2.751 159 G HA2 -0.189 3.775 3.960 0.006 0.000 0.187 159 G HA3 -0.189 3.775 3.960 0.006 0.000 0.187 159 G C 0.544 175.529 174.900 0.140 0.000 1.733 159 G CA 0.551 45.685 45.100 0.056 0.000 0.898 159 G HN 0.261 nan 8.290 nan 0.000 0.408 160 D N -0.471 119.995 120.400 0.110 0.000 2.087 160 D HA -0.121 4.522 4.640 0.006 0.000 0.192 160 D C 2.809 179.241 176.300 0.220 0.000 0.993 160 D CA 1.088 55.167 54.000 0.131 0.000 0.828 160 D CB -0.573 40.282 40.800 0.091 0.000 0.968 160 D HN 0.006 nan 8.370 nan 0.000 0.448 161 V N 0.830 120.898 119.914 0.257 0.000 2.317 161 V HA -0.284 3.839 4.120 0.006 0.000 0.251 161 V C 2.332 178.777 176.094 0.585 0.000 1.065 161 V CA 1.730 64.264 62.300 0.391 0.000 1.049 161 V CB -0.693 31.360 31.823 0.383 0.000 0.651 161 V HN 0.194 nan 8.190 nan 0.000 0.450 162 F N 0.917 121.078 119.950 0.352 0.000 2.171 162 F HA -0.140 4.390 4.527 0.005 0.000 0.300 162 F C 2.514 178.493 175.800 0.299 0.000 1.090 162 F CA 1.586 59.811 58.000 0.376 0.000 1.293 162 F CB -0.527 38.640 39.000 0.277 0.000 1.013 162 F HN 0.151 nan 8.300 nan 0.000 0.486 163 Q N 0.570 120.451 119.800 0.136 0.000 2.181 163 Q HA -0.192 4.151 4.340 0.006 0.000 0.205 163 Q C 2.176 178.150 176.000 -0.043 0.000 0.980 163 Q CA 1.475 57.240 55.803 -0.065 0.000 0.862 163 Q CB -0.492 28.247 28.738 0.002 0.000 0.905 163 Q HN 0.465 nan 8.270 nan 0.000 0.429 164 K N -0.566 119.915 120.400 0.135 0.000 2.296 164 K HA -0.039 4.284 4.320 0.006 0.000 0.200 164 K C 1.803 178.419 176.600 0.027 0.000 1.048 164 K CA 0.234 56.625 56.287 0.173 0.000 0.966 164 K CB -0.066 32.648 32.500 0.356 0.000 0.754 164 K HN 0.077 nan 8.250 nan 0.000 0.466 165 F N 1.955 121.775 119.950 -0.217 0.000 2.186 165 F HA -0.161 4.369 4.527 0.005 0.000 0.299 165 F C 1.697 177.287 175.800 -0.349 0.000 1.090 165 F CA 0.822 58.445 58.000 -0.628 0.000 1.307 165 F CB -0.025 38.942 39.000 -0.056 0.000 1.019 165 F HN -0.156 nan 8.300 nan 0.000 0.489 166 I N 1.112 121.407 120.570 -0.458 0.000 2.127 166 I HA -0.292 3.881 4.170 0.006 0.000 0.241 166 I C 2.093 177.817 176.117 -0.655 0.000 1.075 166 I CA 1.658 62.465 61.300 -0.822 0.000 1.334 166 I CB -1.610 35.947 38.000 -0.737 0.000 1.040 166 I HN 0.286 nan 8.210 nan 0.000 0.405 167 E N 0.636 120.615 120.200 -0.368 0.000 2.482 167 E HA -0.020 4.333 4.350 0.006 0.000 0.196 167 E C 1.005 177.511 176.600 -0.157 0.000 1.047 167 E CA 0.155 56.419 56.400 -0.226 0.000 0.869 167 E CB -0.092 29.534 29.700 -0.124 0.000 0.836 167 E HN 0.507 nan 8.360 nan 0.000 0.520 168 S N 0.564 116.133 115.700 -0.218 0.000 2.614 168 S HA 0.032 4.506 4.470 0.006 0.000 0.265 168 S C 0.755 175.316 174.600 -0.064 0.000 1.303 168 S CA -0.700 57.419 58.200 -0.135 0.000 1.000 168 S CB 1.178 64.185 63.200 -0.321 0.000 0.935 168 S HN -0.068 nan 8.310 nan 0.000 0.551 169 D N 0.595 121.003 120.400 0.013 0.000 2.219 169 D HA -0.047 4.596 4.640 0.006 0.000 0.205 169 D C 1.443 177.802 176.300 0.097 0.000 0.970 169 D CA 0.861 54.893 54.000 0.054 0.000 0.851 169 D CB 0.048 40.883 40.800 0.057 0.000 0.943 169 D HN 0.469 nan 8.370 nan 0.000 0.488 170 K N 0.165 120.640 120.400 0.124 0.000 2.296 170 K HA -0.051 4.272 4.320 0.006 0.000 0.200 170 K C 1.881 178.507 176.600 0.043 0.000 1.048 170 K CA 0.026 56.439 56.287 0.210 0.000 0.966 170 K CB -0.479 32.299 32.500 0.463 0.000 0.754 170 K HN 0.218 nan 8.250 nan 0.000 0.466 171 F N 2.408 122.111 119.950 -0.411 0.000 2.113 171 F HA -0.205 4.326 4.527 0.006 0.000 0.297 171 F C 2.182 177.947 175.800 -0.059 0.000 1.103 171 F CA 1.497 59.229 58.000 -0.447 0.000 1.248 171 F CB -0.269 38.341 39.000 -0.650 0.000 0.999 171 F HN -0.040 nan 8.300 nan 0.000 0.475 172 T N 0.407 115.057 114.554 0.160 0.000 2.597 172 T HA -0.353 4.001 4.350 0.006 0.000 0.267 172 T C 1.925 176.671 174.700 0.077 0.000 1.053 172 T CA 2.100 64.273 62.100 0.120 0.000 1.165 172 T CB -0.437 68.481 68.868 0.084 0.000 0.863 172 T HN 0.128 nan 8.240 nan 0.000 0.427 173 R N 0.622 121.187 120.500 0.109 0.000 2.096 173 R HA -0.100 4.243 4.340 0.006 0.000 0.240 173 R C 2.018 178.466 176.300 0.247 0.000 1.139 173 R CA 1.631 57.822 56.100 0.152 0.000 0.952 173 R CB -1.211 29.223 30.300 0.223 0.000 0.854 173 R HN 0.427 nan 8.270 nan 0.000 0.436 174 F N 0.627 120.614 119.950 0.063 0.000 2.091 174 F HA -0.294 4.236 4.527 0.005 0.000 0.299 174 F C 2.076 177.887 175.800 0.019 0.000 1.103 174 F CA 1.756 59.789 58.000 0.055 0.000 1.228 174 F CB -0.956 37.906 39.000 -0.231 0.000 0.984 174 F HN 0.169 nan 8.300 nan 0.000 0.477 175 C N 0.803 119.983 119.300 -0.202 0.000 2.398 175 C HA -0.276 4.187 4.460 0.006 0.000 0.276 175 C C 2.683 177.567 174.990 -0.177 0.000 1.222 175 C CA 1.419 60.289 59.018 -0.247 0.000 1.746 175 C CB -1.613 26.084 27.740 -0.073 0.000 2.039 175 C HN 0.584 nan 8.230 nan 0.000 0.470 176 Q N -0.673 119.059 119.800 -0.114 0.000 2.096 176 Q HA -0.281 4.063 4.340 0.006 0.000 0.208 176 Q C 2.041 177.917 176.000 -0.207 0.000 0.993 176 Q CA 2.373 58.060 55.803 -0.193 0.000 0.862 176 Q CB -0.307 28.266 28.738 -0.274 0.000 0.915 176 Q HN 0.836 nan 8.270 nan 0.000 0.416 177 W N 0.775 122.041 121.300 -0.057 0.000 2.407 177 W HA -0.089 4.575 4.660 0.005 0.000 0.305 177 W C 2.460 178.983 176.519 0.006 0.000 1.196 177 W CA 0.723 58.102 57.345 0.055 0.000 1.311 177 W CB -0.078 29.494 29.460 0.186 0.000 1.135 177 W HN 0.029 nan 8.180 nan 0.000 0.514 178 K N 1.016 121.442 120.400 0.043 0.000 2.103 178 K HA -0.226 4.097 4.320 0.006 0.000 0.207 178 K C 1.879 178.404 176.600 -0.125 0.000 1.048 178 K CA 1.677 57.885 56.287 -0.131 0.000 0.930 178 K CB -0.698 31.501 32.500 -0.502 0.000 0.716 178 K HN 0.068 nan 8.250 nan 0.000 0.444 179 N N 0.130 118.744 118.700 -0.144 0.000 2.005 179 N HA -0.207 4.536 4.740 0.006 0.000 0.199 179 N C 1.678 177.091 175.510 -0.162 0.000 1.054 179 N CA 2.276 55.229 53.050 -0.162 0.000 0.864 179 N CB -0.363 38.031 38.487 -0.156 0.000 1.063 179 N HN 0.076 nan 8.380 nan 0.000 0.428 180 V N 1.703 121.544 119.914 -0.123 0.000 2.380 180 V HA -0.224 3.899 4.120 0.006 0.000 0.251 180 V C 2.540 178.486 176.094 -0.247 0.000 1.063 180 V CA 2.153 64.376 62.300 -0.128 0.000 1.055 180 V CB -0.731 31.076 31.823 -0.028 0.000 0.657 180 V HN 0.471 nan 8.190 nan 0.000 0.455 181 E N -0.325 119.697 120.200 -0.297 0.000 2.070 181 E HA -0.272 4.081 4.350 0.006 0.000 0.197 181 E C 2.081 178.399 176.600 -0.469 0.000 1.004 181 E CA 1.712 57.679 56.400 -0.720 0.000 0.805 181 E CB -0.169 29.285 29.700 -0.408 0.000 0.744 181 E HN 0.568 nan 8.360 nan 0.000 0.451 182 L N 0.573 121.636 121.223 -0.267 0.000 2.478 182 L HA -0.020 4.323 4.340 0.006 0.000 0.223 182 L C 1.211 177.979 176.870 -0.170 0.000 1.140 182 L CA 0.326 55.059 54.840 -0.178 0.000 0.842 182 L CB 0.137 42.120 42.059 -0.127 0.000 0.953 182 L HN 0.060 nan 8.230 nan 0.000 0.452 183 N N 0.108 118.666 118.700 -0.236 0.000 2.546 183 N HA 0.170 4.913 4.740 0.006 0.000 0.286 183 N C -0.633 174.606 175.510 -0.451 0.000 1.259 183 N CA -0.053 52.835 53.050 -0.270 0.000 0.939 183 N CB 0.218 38.547 38.487 -0.262 0.000 1.243 183 N HN 0.082 nan 8.380 nan 0.000 0.511 184 I N 1.826 122.203 120.570 -0.322 0.000 2.428 184 I HA 0.252 4.425 4.170 0.006 0.000 0.279 184 I C -0.934 175.122 176.117 -0.102 0.000 1.040 184 I CA -0.634 60.478 61.300 -0.313 0.000 1.171 184 I CB -0.005 37.800 38.000 -0.325 0.000 1.312 184 I HN 0.197 nan 8.210 nan 0.000 0.470 185 H N 6.646 125.632 119.070 -0.141 0.000 2.567 185 H HA 0.708 5.268 4.556 0.005 0.000 0.345 185 H C -0.862 174.336 175.328 -0.217 0.000 1.169 185 H CA -1.149 54.822 56.048 -0.129 0.000 1.227 185 H CB 1.507 31.216 29.762 -0.089 0.000 1.607 185 H HN 0.366 nan 8.280 nan 0.000 0.534 186 L N 0.814 121.958 121.223 -0.131 0.000 2.409 186 L HA 0.547 4.891 4.340 0.006 0.000 0.262 186 L C 0.286 177.010 176.870 -0.245 0.000 0.992 186 L CA -0.565 54.001 54.840 -0.457 0.000 0.817 186 L CB 2.419 43.850 42.059 -1.047 0.000 1.350 186 L HN 0.839 nan 8.230 nan 0.000 0.411 187 T N -2.634 111.802 114.554 -0.196 0.000 2.742 187 T HA 0.418 4.771 4.350 0.006 0.000 0.282 187 T C 0.787 175.543 174.700 0.094 0.000 1.025 187 T CA -0.913 61.254 62.100 0.112 0.000 1.020 187 T CB 1.008 69.922 68.868 0.077 0.000 1.317 187 T HN 0.323 nan 8.240 nan 0.000 0.538 188 M N 0.978 120.718 119.600 0.234 0.000 2.358 188 M HA -0.022 4.461 4.480 0.006 0.000 0.264 188 M C 1.795 178.135 176.300 0.068 0.000 1.064 188 M CA 0.819 56.251 55.300 0.220 0.000 1.093 188 M CB -1.824 30.879 32.600 0.171 0.000 1.401 188 M HN 0.573 nan 8.290 nan 0.000 0.440 189 N N 1.283 119.981 118.700 -0.003 0.000 2.247 189 N HA -0.171 4.572 4.740 0.006 0.000 0.189 189 N C 0.759 176.178 175.510 -0.151 0.000 1.009 189 N CA 1.143 54.155 53.050 -0.063 0.000 0.872 189 N CB -0.141 38.306 38.487 -0.067 0.000 0.980 189 N HN 0.458 nan 8.380 nan 0.000 0.436 190 D N -1.179 119.043 120.400 -0.297 0.000 2.349 190 D HA 0.050 4.694 4.640 0.006 0.000 0.214 190 D C -0.502 175.320 176.300 -0.797 0.000 1.063 190 D CA 0.241 53.899 54.000 -0.570 0.000 0.847 190 D CB 0.271 40.580 40.800 -0.817 0.000 0.933 190 D HN 0.067 nan 8.370 nan 0.000 0.513 191 F N 0.201 120.109 119.950 -0.070 0.000 2.547 191 F HA 0.221 4.751 4.527 0.005 0.000 0.316 191 F C 0.298 176.072 175.800 -0.044 0.000 1.121 191 F CA -1.143 56.835 58.000 -0.036 0.000 0.911 191 F CB 2.124 41.124 39.000 -0.000 0.000 1.179 191 F HN -0.428 nan 8.300 nan 0.000 0.443 192 S N 2.997 118.801 115.700 0.172 0.000 2.464 192 S HA 0.520 4.993 4.470 0.006 0.000 0.313 192 S C -0.722 173.843 174.600 -0.058 0.000 1.078 192 S CA -0.497 57.704 58.200 0.003 0.000 1.096 192 S CB -0.216 62.965 63.200 -0.031 0.000 1.032 192 S HN 0.353 nan 8.310 nan 0.000 0.498 193 V N 7.203 127.062 119.914 -0.092 0.000 2.508 193 V HA 0.229 4.352 4.120 0.006 0.000 0.281 193 V C 1.156 177.152 176.094 -0.164 0.000 1.041 193 V CA -0.249 61.981 62.300 -0.116 0.000 1.016 193 V CB 0.596 32.278 31.823 -0.234 0.000 0.984 193 V HN 0.834 nan 8.190 nan 0.000 0.478 194 H N 3.940 123.022 119.070 0.019 0.000 2.342 194 H HA 0.396 4.957 4.556 0.008 0.000 0.334 194 H C 0.833 176.192 175.328 0.053 0.000 1.207 194 H CA 0.464 56.535 56.048 0.037 0.000 1.810 194 H CB 0.547 30.341 29.762 0.053 0.000 1.530 194 H HN 0.465 nan 8.280 nan 0.000 0.618 195 R N 0.139 120.786 120.500 0.245 0.000 2.893 195 R HA 0.460 4.803 4.340 0.006 0.000 0.245 195 R C -0.332 176.129 176.300 0.268 0.000 1.192 195 R CA -0.788 55.430 56.100 0.198 0.000 1.077 195 R CB 1.331 31.713 30.300 0.137 0.000 1.253 195 R HN 0.129 nan 8.270 nan 0.000 0.505 196 I N 0.765 121.466 120.570 0.219 0.000 2.440 196 I HA 0.153 4.326 4.170 0.006 0.000 0.294 196 I C 0.588 176.741 176.117 0.059 0.000 0.995 196 I CA -0.005 61.394 61.300 0.164 0.000 1.306 196 I CB 1.019 39.079 38.000 0.100 0.000 1.407 196 I HN 0.455 nan 8.210 nan 0.000 0.501 197 I N 3.423 123.991 120.570 -0.004 0.000 4.082 197 I HA 0.410 4.583 4.170 0.006 0.000 0.337 197 I C 0.629 176.719 176.117 -0.045 0.000 1.352 197 I CA 0.254 61.548 61.300 -0.009 0.000 1.097 197 I CB 0.059 38.070 38.000 0.020 0.000 1.048 197 I HN 0.852 nan 8.210 nan 0.000 0.393 198 G N 1.087 109.843 108.800 -0.073 0.000 2.674 198 G HA2 -0.095 3.868 3.960 0.006 0.000 0.686 198 G HA3 -0.095 3.868 3.960 0.006 0.000 0.686 198 G C -0.452 174.393 174.900 -0.092 0.000 1.195 198 G CA -1.060 43.992 45.100 -0.079 0.000 0.776 198 G HN 0.122 nan 8.290 nan 0.000 0.654 199 R N 0.168 120.617 120.500 -0.084 0.000 2.615 199 R HA 0.584 4.927 4.340 0.006 0.000 0.270 199 R C 1.293 177.558 176.300 -0.058 0.000 1.081 199 R CA 0.302 56.351 56.100 -0.085 0.000 1.154 199 R CB 0.876 31.128 30.300 -0.079 0.000 1.063 199 R HN 0.862 nan 8.270 nan 0.000 0.519 200 G N -0.438 108.335 108.800 -0.045 0.000 2.606 200 G HA2 0.289 4.252 3.960 0.006 0.000 0.262 200 G HA3 0.289 4.252 3.960 0.006 0.000 0.262 200 G C 0.683 175.530 174.900 -0.087 0.000 1.394 200 G CA -0.271 44.816 45.100 -0.022 0.000 1.044 200 G HN 0.609 nan 8.290 nan 0.000 0.553 201 G N -1.375 107.329 108.800 -0.159 0.000 2.494 201 G HA2 0.115 4.079 3.960 0.006 0.000 0.216 201 G HA3 0.115 4.079 3.960 0.006 0.000 0.216 201 G C 0.606 175.168 174.900 -0.562 0.000 1.140 201 G CA 0.229 45.069 45.100 -0.434 0.000 0.801 201 G HN 0.303 nan 8.290 nan 0.000 0.536 202 F N 0.749 120.692 119.950 -0.013 0.000 2.735 202 F HA 0.533 5.063 4.527 0.005 0.000 0.304 202 F C 1.025 176.799 175.800 -0.043 0.000 1.119 202 F CA -0.181 57.804 58.000 -0.025 0.000 1.280 202 F CB 1.043 40.029 39.000 -0.023 0.000 0.994 202 F HN 0.305 nan 8.300 nan 0.000 0.520 203 G N 0.423 109.257 108.800 0.057 0.000 2.351 203 G HA2 0.215 4.179 3.960 0.006 0.000 0.353 203 G HA3 0.215 4.179 3.960 0.006 0.000 0.353 203 G C -1.297 173.572 174.900 -0.052 0.000 1.358 203 G CA -1.116 43.986 45.100 0.003 0.000 0.995 203 G HN -0.011 nan 8.290 nan 0.000 0.611 204 E N -0.950 119.169 120.200 -0.135 0.000 2.330 204 E HA 0.758 5.111 4.350 0.006 0.000 0.256 204 E C -0.564 175.822 176.600 -0.357 0.000 1.146 204 E CA -0.923 55.321 56.400 -0.260 0.000 0.945 204 E CB 1.635 31.108 29.700 -0.379 0.000 1.182 204 E HN 0.995 nan 8.360 nan 0.000 0.480 205 V N 0.844 120.506 119.914 -0.420 0.000 2.686 205 V HA 0.367 4.490 4.120 0.006 0.000 0.306 205 V C -1.289 174.615 176.094 -0.317 0.000 1.065 205 V CA -0.791 61.336 62.300 -0.288 0.000 0.894 205 V CB 1.056 32.833 31.823 -0.077 0.000 1.004 205 V HN 0.612 nan 8.190 nan 0.000 0.424 206 Y N 1.326 121.650 120.300 0.041 0.000 2.650 206 Y HA 0.851 5.404 4.550 0.005 0.000 0.331 206 Y C 0.773 176.703 175.900 0.050 0.000 1.082 206 Y CA -0.881 57.245 58.100 0.043 0.000 1.171 206 Y CB 1.828 40.310 38.460 0.037 0.000 1.326 206 Y HN 0.710 nan 8.280 nan 0.000 0.513 207 G N -0.361 108.594 108.800 0.258 0.000 2.416 207 G HA2 0.617 4.581 3.960 0.006 0.000 0.329 207 G HA3 0.617 4.581 3.960 0.006 0.000 0.329 207 G C -1.119 173.899 174.900 0.196 0.000 1.173 207 G CA -0.599 44.612 45.100 0.185 0.000 0.929 207 G HN 0.996 nan 8.290 nan 0.000 0.475 208 C N 0.451 119.855 119.300 0.173 0.000 3.314 208 C HA 0.898 5.361 4.460 0.006 0.000 0.344 208 C C -0.559 174.580 174.990 0.248 0.000 1.461 208 C CA -1.334 57.796 59.018 0.187 0.000 1.249 208 C CB 1.481 29.258 27.740 0.063 0.000 1.632 208 C HN 0.967 nan 8.230 nan 0.000 0.452 209 R N 0.856 121.534 120.500 0.297 0.000 2.670 209 R HA 0.601 4.944 4.340 0.006 0.000 0.289 209 R C -1.046 175.516 176.300 0.437 0.000 0.965 209 R CA -0.350 55.945 56.100 0.325 0.000 0.899 209 R CB 1.521 31.974 30.300 0.254 0.000 1.173 209 R HN 0.905 nan 8.270 nan 0.000 0.456 210 K N 2.710 123.365 120.400 0.425 0.000 2.285 210 K HA 0.264 4.588 4.320 0.006 0.000 0.286 210 K C 0.390 177.049 176.600 0.099 0.000 1.072 210 K CA 0.066 56.505 56.287 0.253 0.000 0.913 210 K CB 1.329 33.982 32.500 0.256 0.000 1.067 210 K HN 0.741 nan 8.250 nan 0.000 0.479 211 A N 4.021 126.836 122.820 -0.008 0.000 2.119 211 A HA -0.086 4.237 4.320 0.006 0.000 0.216 211 A C 1.188 178.766 177.584 -0.011 0.000 1.152 211 A CA 1.048 53.084 52.037 -0.001 0.000 0.708 211 A CB -0.294 18.689 19.000 -0.029 0.000 0.805 211 A HN 0.944 nan 8.150 nan 0.000 0.460 212 D N 0.098 120.475 120.400 -0.038 0.000 2.205 212 D HA -0.190 4.453 4.640 0.006 0.000 0.190 212 D C 2.310 178.641 176.300 0.052 0.000 1.002 212 D CA 2.884 56.890 54.000 0.009 0.000 0.848 212 D CB -0.229 40.594 40.800 0.038 0.000 0.975 212 D HN 0.596 nan 8.370 nan 0.000 0.449 213 T N -4.882 109.717 114.554 0.075 0.000 3.156 213 T HA 0.411 4.765 4.350 0.006 0.000 0.236 213 T C 1.431 176.182 174.700 0.085 0.000 0.978 213 T CA 0.745 62.893 62.100 0.080 0.000 1.240 213 T CB 0.660 69.582 68.868 0.090 0.000 0.951 213 T HN 0.316 nan 8.240 nan 0.000 0.420 214 G N 1.308 110.179 108.800 0.120 0.000 2.338 214 G HA2 0.055 4.018 3.960 0.006 0.000 0.115 214 G HA3 0.055 4.018 3.960 0.006 0.000 0.115 214 G C -0.399 174.578 174.900 0.127 0.000 1.053 214 G CA -0.118 45.053 45.100 0.119 0.000 0.733 214 G HN 0.721 nan 8.290 nan 0.000 0.482 215 K N 0.340 120.853 120.400 0.189 0.000 2.087 215 K HA 0.814 5.138 4.320 0.006 0.000 0.255 215 K C 0.730 177.433 176.600 0.172 0.000 0.988 215 K CA -0.935 55.442 56.287 0.150 0.000 0.915 215 K CB 0.412 33.038 32.500 0.209 0.000 1.043 215 K HN 0.020 nan 8.250 nan 0.000 0.457 216 M N 4.025 123.636 119.600 0.018 0.000 2.063 216 M HA 0.237 4.720 4.480 0.006 0.000 0.348 216 M C -1.149 175.070 176.300 -0.135 0.000 1.180 216 M CA -0.202 55.114 55.300 0.025 0.000 1.059 216 M CB 0.040 32.642 32.600 0.004 0.000 1.544 216 M HN 0.497 nan 8.290 nan 0.000 0.447 217 Y N 0.477 120.845 120.300 0.115 0.000 2.562 217 Y HA 0.722 5.276 4.550 0.007 0.000 0.343 217 Y C 0.303 176.235 175.900 0.055 0.000 1.025 217 Y CA -0.903 57.254 58.100 0.096 0.000 1.082 217 Y CB 1.760 40.298 38.460 0.129 0.000 1.264 217 Y HN 0.699 nan 8.280 nan 0.000 0.478 218 A N 2.600 125.564 122.820 0.239 0.000 2.295 218 A HA 0.690 5.013 4.320 0.006 0.000 0.318 218 A C -0.865 176.800 177.584 0.136 0.000 1.134 218 A CA -0.718 51.416 52.037 0.161 0.000 0.827 218 A CB 0.725 19.805 19.000 0.135 0.000 1.136 218 A HN 0.785 nan 8.150 nan 0.000 0.493 219 M N 2.306 121.981 119.600 0.126 0.000 2.046 219 M HA 0.317 4.800 4.480 0.006 0.000 0.309 219 M C -0.612 175.784 176.300 0.161 0.000 0.935 219 M CA -0.388 54.989 55.300 0.130 0.000 0.915 219 M CB 0.705 33.355 32.600 0.082 0.000 1.474 219 M HN 0.716 nan 8.290 nan 0.000 0.415 220 K N 3.985 124.486 120.400 0.169 0.000 2.310 220 K HA 0.279 4.602 4.320 0.006 0.000 0.290 220 K C -1.450 175.193 176.600 0.072 0.000 1.077 220 K CA -0.260 56.108 56.287 0.136 0.000 0.922 220 K CB 0.524 33.179 32.500 0.258 0.000 1.057 220 K HN 0.737 nan 8.250 nan 0.000 0.479 221 C N 6.462 125.775 119.300 0.021 0.000 2.285 221 C HA 0.407 4.871 4.460 0.006 0.000 0.335 221 C C -0.415 174.544 174.990 -0.052 0.000 1.267 221 C CA -0.777 58.231 59.018 -0.017 0.000 1.762 221 C CB -0.680 27.108 27.740 0.080 0.000 2.365 221 C HN 0.741 nan 8.230 nan 0.000 0.527 222 L N 4.367 125.511 121.223 -0.131 0.000 2.296 222 L HA 0.418 4.761 4.340 0.006 0.000 0.286 222 L C -0.020 176.752 176.870 -0.164 0.000 1.023 222 L CA -0.188 54.584 54.840 -0.114 0.000 0.812 222 L CB 1.024 42.978 42.059 -0.174 0.000 1.223 222 L HN 0.565 nan 8.230 nan 0.000 0.421 223 D N 2.825 123.172 120.400 -0.087 0.000 2.280 223 D HA 0.121 4.764 4.640 0.006 0.000 0.243 223 D C 0.755 176.977 176.300 -0.130 0.000 1.129 223 D CA -0.228 53.710 54.000 -0.104 0.000 0.848 223 D CB 1.568 42.345 40.800 -0.037 0.000 1.107 223 D HN 0.443 nan 8.370 nan 0.000 0.471 224 K N 2.734 123.013 120.400 -0.202 0.000 2.044 224 K HA -0.217 4.106 4.320 0.006 0.000 0.210 224 K C 1.787 178.337 176.600 -0.084 0.000 1.049 224 K CA 1.419 57.588 56.287 -0.197 0.000 0.927 224 K CB 0.138 32.507 32.500 -0.218 0.000 0.713 224 K HN 0.394 nan 8.250 nan 0.000 0.443 225 K N 0.620 120.986 120.400 -0.055 0.000 2.077 225 K HA -0.238 4.085 4.320 0.006 0.000 0.213 225 K C 2.152 178.755 176.600 0.005 0.000 1.051 225 K CA 1.993 58.268 56.287 -0.019 0.000 0.929 225 K CB -0.183 32.310 32.500 -0.012 0.000 0.715 225 K HN 0.193 nan 8.250 nan 0.000 0.451 226 R N 0.221 120.735 120.500 0.024 0.000 2.073 226 R HA -0.109 4.234 4.340 0.006 0.000 0.234 226 R C 2.366 178.731 176.300 0.109 0.000 1.134 226 R CA 1.402 57.562 56.100 0.100 0.000 0.952 226 R CB -0.579 29.823 30.300 0.171 0.000 0.850 226 R HN 0.114 nan 8.270 nan 0.000 0.433 227 I N 1.592 122.144 120.570 -0.029 0.000 2.264 227 I HA -0.271 3.903 4.170 0.006 0.000 0.248 227 I C 2.527 178.590 176.117 -0.091 0.000 1.111 227 I CA 1.466 62.632 61.300 -0.222 0.000 1.382 227 I CB -0.220 37.581 38.000 -0.332 0.000 1.060 227 I HN 0.097 nan 8.210 nan 0.000 0.418 228 K N 0.057 120.438 120.400 -0.033 0.000 2.148 228 K HA -0.160 4.163 4.320 0.006 0.000 0.204 228 K C 2.217 178.823 176.600 0.010 0.000 1.050 228 K CA 1.140 57.418 56.287 -0.015 0.000 0.942 228 K CB -0.058 32.436 32.500 -0.010 0.000 0.724 228 K HN 0.241 nan 8.250 nan 0.000 0.446 229 M N 0.553 120.175 119.600 0.037 0.000 2.099 229 M HA -0.124 4.359 4.480 0.006 0.000 0.262 229 M C 1.017 177.364 176.300 0.079 0.000 1.067 229 M CA 1.591 56.924 55.300 0.055 0.000 1.124 229 M CB 0.202 32.841 32.600 0.064 0.000 1.353 229 M HN -0.044 nan 8.290 nan 0.000 0.410 230 K N 0.374 120.859 120.400 0.141 0.000 2.417 230 K HA 0.065 4.389 4.320 0.006 0.000 0.196 230 K C 0.092 176.777 176.600 0.141 0.000 1.023 230 K CA 0.164 56.563 56.287 0.186 0.000 1.122 230 K CB 0.180 32.912 32.500 0.387 0.000 0.850 230 K HN 0.487 nan 8.250 nan 0.000 0.521 231 Q N -0.910 118.931 119.800 0.068 0.000 2.468 231 Q HA -0.168 4.176 4.340 0.006 0.000 0.256 231 Q C 0.771 176.783 176.000 0.020 0.000 0.984 231 Q CA 0.579 56.399 55.803 0.028 0.000 1.110 231 Q CB -1.960 26.797 28.738 0.031 0.000 1.527 231 Q HN 0.547 nan 8.270 nan 0.000 0.535 232 G N -0.260 108.537 108.800 -0.006 0.000 3.262 232 G HA2 0.039 4.002 3.960 0.006 0.000 0.228 232 G HA3 0.039 4.002 3.960 0.006 0.000 0.228 232 G C 0.728 175.513 174.900 -0.192 0.000 1.197 232 G CA 0.151 45.208 45.100 -0.072 0.000 0.819 232 G HN 0.395 nan 8.290 nan 0.000 0.531 233 E N 0.053 120.173 120.200 -0.133 0.000 2.160 233 E HA -0.134 4.219 4.350 0.006 0.000 0.195 233 E C 2.504 179.071 176.600 -0.056 0.000 0.991 233 E CA 1.634 57.972 56.400 -0.102 0.000 0.810 233 E CB 0.049 29.693 29.700 -0.093 0.000 0.742 233 E HN 0.350 nan 8.360 nan 0.000 0.466 234 T N 0.998 115.531 114.554 -0.034 0.000 2.746 234 T HA -0.152 4.201 4.350 0.006 0.000 0.267 234 T C 1.813 176.524 174.700 0.018 0.000 1.039 234 T CA 0.883 62.980 62.100 -0.003 0.000 1.142 234 T CB -0.192 68.679 68.868 0.005 0.000 0.866 234 T HN 0.081 nan 8.240 nan 0.000 0.444 235 L N 1.364 122.595 121.223 0.014 0.000 1.973 235 L HA 0.077 4.420 4.340 0.006 0.000 0.208 235 L C 2.748 179.651 176.870 0.055 0.000 1.073 235 L CA 1.960 56.829 54.840 0.049 0.000 0.746 235 L CB -1.019 41.099 42.059 0.098 0.000 0.891 235 L HN 0.219 nan 8.230 nan 0.000 0.433 236 A N -0.263 122.535 122.820 -0.036 0.000 1.884 236 A HA -0.292 4.031 4.320 0.006 0.000 0.219 236 A C 2.386 180.070 177.584 0.166 0.000 1.197 236 A CA 2.487 54.526 52.037 0.005 0.000 0.637 236 A CB -1.308 17.614 19.000 -0.130 0.000 0.827 236 A HN 0.562 nan 8.150 nan 0.000 0.450 237 L N -0.862 120.448 121.223 0.145 0.000 2.012 237 L HA -0.250 4.093 4.340 0.006 0.000 0.210 237 L C 2.478 179.473 176.870 0.208 0.000 1.073 237 L CA 2.230 57.195 54.840 0.208 0.000 0.748 237 L CB -0.441 41.689 42.059 0.118 0.000 0.891 237 L HN 0.611 nan 8.230 nan 0.000 0.431 238 N N -0.248 118.537 118.700 0.142 0.000 2.188 238 N HA -0.273 4.470 4.740 0.006 0.000 0.184 238 N C 1.752 177.344 175.510 0.137 0.000 1.018 238 N CA 1.251 54.371 53.050 0.117 0.000 0.858 238 N CB 0.053 38.587 38.487 0.079 0.000 0.989 238 N HN 0.278 nan 8.380 nan 0.000 0.426 239 E N -0.017 120.292 120.200 0.182 0.000 2.118 239 E HA -0.233 4.121 4.350 0.006 0.000 0.195 239 E C 1.988 178.678 176.600 0.150 0.000 0.992 239 E CA 0.784 57.294 56.400 0.185 0.000 0.804 239 E CB 0.048 29.935 29.700 0.312 0.000 0.741 239 E HN 0.170 nan 8.360 nan 0.000 0.458 240 R N 0.678 121.372 120.500 0.323 0.000 2.070 240 R HA -0.122 4.221 4.340 0.006 0.000 0.232 240 R C 2.267 178.626 176.300 0.098 0.000 1.138 240 R CA 1.424 57.696 56.100 0.287 0.000 0.936 240 R CB -0.643 29.939 30.300 0.471 0.000 0.839 240 R HN 0.316 nan 8.270 nan 0.000 0.429 241 I N 1.027 121.672 120.570 0.125 0.000 2.208 241 I HA -0.309 3.865 4.170 0.006 0.000 0.245 241 I C 2.426 178.576 176.117 0.055 0.000 1.097 241 I CA 1.178 62.528 61.300 0.083 0.000 1.363 241 I CB -0.822 37.230 38.000 0.087 0.000 1.051 241 I HN 0.160 nan 8.210 nan 0.000 0.413 242 M N 0.440 120.074 119.600 0.056 0.000 2.067 242 M HA -0.165 4.318 4.480 0.006 0.000 0.260 242 M C 2.566 178.884 176.300 0.030 0.000 1.069 242 M CA 1.643 56.977 55.300 0.056 0.000 1.117 242 M CB -1.316 31.325 32.600 0.068 0.000 1.334 242 M HN 0.193 nan 8.290 nan 0.000 0.407 243 L N 0.394 121.599 121.223 -0.029 0.000 2.129 243 L HA -0.247 4.097 4.340 0.006 0.000 0.212 243 L C 2.698 179.541 176.870 -0.046 0.000 1.087 243 L CA 1.666 56.457 54.840 -0.082 0.000 0.757 243 L CB -0.485 41.413 42.059 -0.268 0.000 0.896 243 L HN 0.460 nan 8.230 nan 0.000 0.434 244 S N -1.060 114.624 115.700 -0.028 0.000 2.470 244 S HA -0.078 4.395 4.470 0.006 0.000 0.225 244 S C 1.800 176.414 174.600 0.024 0.000 1.006 244 S CA 0.332 58.527 58.200 -0.007 0.000 0.934 244 S CB -0.125 63.072 63.200 -0.004 0.000 0.778 244 S HN 0.418 nan 8.310 nan 0.000 0.517 245 L N 0.961 122.208 121.223 0.040 0.000 2.492 245 L HA 0.235 4.579 4.340 0.006 0.000 0.223 245 L C 1.618 178.535 176.870 0.079 0.000 1.132 245 L CA 0.305 55.179 54.840 0.055 0.000 0.850 245 L CB 0.212 42.308 42.059 0.063 0.000 0.966 245 L HN 0.266 nan 8.230 nan 0.000 0.454 246 V N -3.033 116.937 119.914 0.093 0.000 2.908 246 V HA -0.003 4.120 4.120 0.006 0.000 0.240 246 V C 2.130 178.334 176.094 0.183 0.000 1.117 246 V CA 1.072 63.466 62.300 0.157 0.000 1.133 246 V CB 0.461 32.364 31.823 0.134 0.000 0.857 246 V HN 0.246 nan 8.190 nan 0.000 0.478 247 S N 0.627 116.381 115.700 0.090 0.000 2.481 247 S HA -0.067 4.406 4.470 0.006 0.000 0.231 247 S C 1.291 175.940 174.600 0.083 0.000 0.996 247 S CA 1.000 59.236 58.200 0.061 0.000 0.942 247 S CB -0.502 62.707 63.200 0.016 0.000 0.768 247 S HN 0.811 nan 8.310 nan 0.000 0.520 248 T N 1.044 115.653 114.554 0.093 0.000 2.940 248 T HA 0.447 4.800 4.350 0.006 0.000 0.309 248 T C 0.694 175.469 174.700 0.126 0.000 1.056 248 T CA 0.217 62.365 62.100 0.081 0.000 1.137 248 T CB 0.131 69.030 68.868 0.052 0.000 0.976 248 T HN 0.774 nan 8.240 nan 0.000 0.547 249 G N 2.432 111.293 108.800 0.100 0.000 2.757 249 G HA2 -0.131 3.833 3.960 0.006 0.000 0.686 249 G HA3 -0.131 3.833 3.960 0.006 0.000 0.686 249 G C -0.599 174.393 174.900 0.154 0.000 1.452 249 G CA -0.299 44.883 45.100 0.135 0.000 0.922 249 G HN 1.093 nan 8.290 nan 0.000 0.588 250 D N -0.032 120.440 120.400 0.121 0.000 2.317 250 D HA 0.440 5.083 4.640 0.006 0.000 0.252 250 D C -0.076 176.233 176.300 0.015 0.000 1.174 250 D CA 0.257 54.281 54.000 0.040 0.000 0.866 250 D CB 1.239 42.037 40.800 -0.003 0.000 1.127 250 D HN 0.533 nan 8.370 nan 0.000 0.467 251 C N 4.980 124.211 119.300 -0.116 0.000 2.561 251 C HA 0.566 5.029 4.460 0.006 0.000 0.319 251 C C -2.021 172.763 174.990 -0.344 0.000 1.198 251 C CA -1.422 57.451 59.018 -0.242 0.000 1.665 251 C CB 1.572 29.033 27.740 -0.465 0.000 2.258 251 C HN 0.530 nan 8.230 nan 0.000 0.493 252 P HA 0.337 nan 4.420 nan 0.000 0.276 252 P C -0.295 176.364 177.300 -1.069 0.000 1.585 252 P CA 0.153 62.766 63.100 -0.811 0.000 1.162 252 P CB -0.118 30.977 31.700 -1.009 0.000 1.556 253 F N -0.269 119.602 119.950 -0.131 0.000 2.775 253 F HA 0.429 4.959 4.527 0.005 0.000 0.313 253 F C 0.392 176.118 175.800 -0.123 0.000 1.121 253 F CA -0.380 57.556 58.000 -0.106 0.000 1.206 253 F CB 0.515 39.468 39.000 -0.079 0.000 1.052 253 F HN -0.249 nan 8.300 nan 0.000 0.524 254 I N -0.367 120.170 120.570 -0.056 0.000 2.692 254 I HA 0.253 4.426 4.170 0.006 0.000 0.293 254 I C -0.585 175.502 176.117 -0.050 0.000 1.200 254 I CA -0.981 60.285 61.300 -0.056 0.000 1.036 254 I CB 2.418 40.361 38.000 -0.095 0.000 1.258 254 I HN -0.391 nan 8.210 nan 0.000 0.421 255 V N 4.663 124.571 119.914 -0.010 0.000 2.434 255 V HA -0.069 4.054 4.120 0.006 0.000 0.281 255 V C 0.063 176.158 176.094 0.002 0.000 1.005 255 V CA 0.315 62.620 62.300 0.009 0.000 1.089 255 V CB -0.172 31.674 31.823 0.039 0.000 0.978 255 V HN 0.738 nan 8.190 nan 0.000 0.474 256 C N 7.086 126.388 119.300 0.004 0.000 2.358 256 C HA 0.496 4.959 4.460 0.006 0.000 0.342 256 C C 0.506 175.525 174.990 0.048 0.000 1.234 256 C CA -0.883 58.138 59.018 0.005 0.000 1.969 256 C CB 1.193 28.921 27.740 -0.020 0.000 2.346 256 C HN 0.847 nan 8.230 nan 0.000 0.525 257 M N 2.822 122.429 119.600 0.011 0.000 2.146 257 M HA 0.170 4.653 4.480 0.006 0.000 0.357 257 M C 0.620 176.930 176.300 0.017 0.000 1.261 257 M CA 0.437 55.744 55.300 0.011 0.000 1.106 257 M CB 1.427 33.984 32.600 -0.072 0.000 1.612 257 M HN 0.865 nan 8.290 nan 0.000 0.470 258 S N 3.317 119.041 115.700 0.039 0.000 2.613 258 S HA 0.222 4.695 4.470 0.006 0.000 0.235 258 S C -0.913 173.448 174.600 -0.399 0.000 1.073 258 S CA 0.140 58.244 58.200 -0.160 0.000 0.899 258 S CB 0.555 63.706 63.200 -0.082 0.000 0.818 258 S HN 0.690 nan 8.310 nan 0.000 0.484 259 Y N -0.065 120.275 120.300 0.067 0.000 2.677 259 Y HA 0.781 5.334 4.550 0.005 0.000 0.334 259 Y C -0.502 175.510 175.900 0.187 0.000 1.154 259 Y CA -1.793 56.372 58.100 0.108 0.000 1.070 259 Y CB 1.088 39.619 38.460 0.118 0.000 1.294 259 Y HN 0.003 nan 8.280 nan 0.000 0.475 260 A N 1.507 124.544 122.820 0.361 0.000 2.427 260 A HA 0.869 5.192 4.320 0.006 0.000 0.298 260 A C -1.758 176.036 177.584 0.351 0.000 1.036 260 A CA -0.581 51.606 52.037 0.250 0.000 0.701 260 A CB 0.887 19.781 19.000 -0.176 0.000 1.250 260 A HN 0.888 nan 8.150 nan 0.000 0.412 261 F N 0.212 120.323 119.950 0.269 0.000 2.713 261 F HA 0.844 5.374 4.527 0.005 0.000 0.311 261 F C -1.149 174.886 175.800 0.392 0.000 1.141 261 F CA -0.913 57.258 58.000 0.284 0.000 0.939 261 F CB 0.847 39.932 39.000 0.142 0.000 1.325 261 F HN 0.886 nan 8.300 nan 0.000 0.453 262 H N -1.126 118.006 119.070 0.104 0.000 2.806 262 H HA 0.724 5.283 4.556 0.005 0.000 0.367 262 H C -1.087 174.205 175.328 -0.060 0.000 1.136 262 H CA -0.441 55.487 56.048 -0.200 0.000 1.178 262 H CB 1.550 31.136 29.762 -0.295 0.000 1.718 262 H HN 0.877 nan 8.280 nan 0.000 0.540 263 T N 0.664 115.244 114.554 0.044 0.000 2.902 263 T HA 0.283 4.636 4.350 0.006 0.000 0.283 263 T C -1.773 172.994 174.700 0.112 0.000 1.009 263 T CA -2.156 60.006 62.100 0.103 0.000 1.051 263 T CB 1.357 70.261 68.868 0.059 0.000 0.999 263 T HN 0.422 nan 8.240 nan 0.000 0.474 264 P HA -0.280 nan 4.420 nan 0.000 0.233 264 P C 0.746 178.015 177.300 -0.052 0.000 1.141 264 P CA 2.017 65.142 63.100 0.042 0.000 0.951 264 P CB 0.016 31.733 31.700 0.028 0.000 0.778 265 D N -3.589 116.770 120.400 -0.068 0.000 2.479 265 D HA 0.055 4.698 4.640 0.006 0.000 0.221 265 D C 0.467 176.660 176.300 -0.179 0.000 1.104 265 D CA 0.362 54.292 54.000 -0.117 0.000 0.849 265 D CB 0.004 40.764 40.800 -0.067 0.000 1.072 265 D HN 0.205 nan 8.370 nan 0.000 0.502 266 K N 0.887 121.182 120.400 -0.176 0.000 2.164 266 K HA 0.475 4.798 4.320 0.006 0.000 0.258 266 K C -0.216 176.173 176.600 -0.351 0.000 0.951 266 K CA -0.737 55.416 56.287 -0.224 0.000 0.844 266 K CB 2.680 35.098 32.500 -0.137 0.000 1.099 266 K HN -0.059 nan 8.250 nan 0.000 0.435 267 L N 1.343 122.300 121.223 -0.443 0.000 2.357 267 L HA 0.307 4.650 4.340 0.006 0.000 0.273 267 L C -0.055 176.559 176.870 -0.425 0.000 1.080 267 L CA -0.267 54.241 54.840 -0.554 0.000 0.803 267 L CB 1.667 43.297 42.059 -0.716 0.000 1.174 267 L HN 0.628 nan 8.230 nan 0.000 0.443 268 S N 2.086 117.556 115.700 -0.383 0.000 2.619 268 S HA 0.540 5.013 4.470 0.006 0.000 0.280 268 S C -1.083 173.537 174.600 0.032 0.000 1.150 268 S CA -0.451 57.581 58.200 -0.280 0.000 0.978 268 S CB 1.047 63.897 63.200 -0.583 0.000 1.041 268 S HN 0.224 nan 8.310 nan 0.000 0.485 269 F N 3.477 123.522 119.950 0.159 0.000 2.332 269 F HA 0.474 5.004 4.527 0.005 0.000 0.368 269 F C 0.035 175.941 175.800 0.176 0.000 1.110 269 F CA -1.598 56.509 58.000 0.178 0.000 1.087 269 F CB 0.613 39.702 39.000 0.149 0.000 1.235 269 F HN 0.351 nan 8.300 nan 0.000 0.470 270 I N 5.605 126.429 120.570 0.422 0.000 2.436 270 I HA 0.175 4.349 4.170 0.006 0.000 0.289 270 I C 0.141 176.430 176.117 0.286 0.000 1.083 270 I CA 0.082 61.551 61.300 0.282 0.000 1.372 270 I CB -0.089 38.081 38.000 0.283 0.000 1.408 270 I HN 0.438 nan 8.210 nan 0.000 0.516 271 L N 4.635 126.032 121.223 0.290 0.000 2.257 271 L HA 0.466 4.809 4.340 0.006 0.000 0.257 271 L C 0.013 177.077 176.870 0.323 0.000 1.033 271 L CA -1.169 53.830 54.840 0.265 0.000 0.835 271 L CB 1.759 43.929 42.059 0.186 0.000 1.398 271 L HN 0.363 nan 8.230 nan 0.000 0.429 272 D N 1.496 122.017 120.400 0.202 0.000 2.443 272 D HA 0.141 4.785 4.640 0.006 0.000 0.239 272 D C -0.341 176.002 176.300 0.071 0.000 1.136 272 D CA 0.089 54.149 54.000 0.100 0.000 0.879 272 D CB 1.243 42.061 40.800 0.030 0.000 1.195 272 D HN 0.111 nan 8.370 nan 0.000 0.443 273 L N 4.305 125.537 121.223 0.014 0.000 2.325 273 L HA 0.183 4.526 4.340 0.006 0.000 0.284 273 L C -0.663 176.219 176.870 0.020 0.000 1.089 273 L CA 0.221 55.078 54.840 0.028 0.000 0.836 273 L CB 0.068 42.129 42.059 0.004 0.000 1.184 273 L HN 0.183 nan 8.230 nan 0.000 0.444 274 M N 4.799 124.422 119.600 0.039 0.000 2.253 274 M HA 0.338 4.821 4.480 0.006 0.000 0.314 274 M C 0.020 176.346 176.300 0.043 0.000 1.019 274 M CA -0.257 55.066 55.300 0.039 0.000 0.932 274 M CB 1.759 34.386 32.600 0.045 0.000 1.606 274 M HN 0.605 nan 8.290 nan 0.000 0.430 275 N N 1.886 120.611 118.700 0.042 0.000 2.429 275 N HA 0.080 4.823 4.740 0.006 0.000 0.220 275 N C 0.902 176.448 175.510 0.060 0.000 1.024 275 N CA 0.401 53.475 53.050 0.040 0.000 1.105 275 N CB -0.060 38.441 38.487 0.023 0.000 1.376 275 N HN 0.819 nan 8.380 nan 0.000 0.565 276 G N 1.111 109.966 108.800 0.091 0.000 2.843 276 G HA2 0.360 4.324 3.960 0.006 0.000 0.275 276 G HA3 0.360 4.324 3.960 0.006 0.000 0.275 276 G C 0.884 175.947 174.900 0.272 0.000 0.709 276 G CA 0.483 45.690 45.100 0.178 0.000 2.089 276 G HN 0.575 nan 8.290 nan 0.000 0.571 277 G N 2.046 110.929 108.800 0.138 0.000 2.581 277 G HA2 -0.229 3.734 3.960 0.006 0.000 0.289 277 G HA3 -0.229 3.734 3.960 0.006 0.000 0.289 277 G C 0.026 175.044 174.900 0.197 0.000 1.303 277 G CA 0.262 45.422 45.100 0.100 0.000 0.931 277 G HN 0.912 nan 8.290 nan 0.000 0.555 278 D N -0.658 119.878 120.400 0.228 0.000 2.299 278 D HA 0.455 5.099 4.640 0.006 0.000 0.243 278 D C 1.737 178.221 176.300 0.307 0.000 0.982 278 D CA -0.872 53.259 54.000 0.218 0.000 0.924 278 D CB 1.412 42.310 40.800 0.164 0.000 1.238 278 D HN 0.300 nan 8.370 nan 0.000 0.484 279 L N -0.051 121.278 121.223 0.176 0.000 2.079 279 L HA -0.245 4.098 4.340 0.006 0.000 0.210 279 L C 2.450 179.460 176.870 0.233 0.000 1.081 279 L CA 1.345 56.268 54.840 0.138 0.000 0.752 279 L CB -0.559 41.464 42.059 -0.059 0.000 0.896 279 L HN 0.598 nan 8.230 nan 0.000 0.433 280 H N -0.566 118.592 119.070 0.148 0.000 2.265 280 H HA -0.331 4.228 4.556 0.005 0.000 0.293 280 H C 2.237 177.667 175.328 0.171 0.000 1.089 280 H CA 2.817 58.956 56.048 0.152 0.000 1.244 280 H CB -0.488 29.361 29.762 0.144 0.000 1.355 280 H HN 0.357 nan 8.280 nan 0.000 0.485 281 Y N 1.041 121.472 120.300 0.219 0.000 2.151 281 Y HA -0.285 4.267 4.550 0.004 0.000 0.284 281 Y C 2.530 178.405 175.900 -0.041 0.000 1.166 281 Y CA 2.449 60.587 58.100 0.063 0.000 1.163 281 Y CB -0.764 37.685 38.460 -0.017 0.000 0.974 281 Y HN 0.365 nan 8.280 nan 0.000 0.511 282 H N -1.180 117.943 119.070 0.088 0.000 2.502 282 H HA -0.036 4.523 4.556 0.005 0.000 0.283 282 H C 1.923 177.246 175.328 -0.009 0.000 1.015 282 H CA 1.081 57.137 56.048 0.013 0.000 1.298 282 H CB -0.064 29.814 29.762 0.194 0.000 1.411 282 H HN 0.402 nan 8.280 nan 0.000 0.556 283 L N -0.632 120.638 121.223 0.078 0.000 2.093 283 L HA -0.105 4.239 4.340 0.006 0.000 0.208 283 L C 2.258 179.029 176.870 -0.164 0.000 1.085 283 L CA 1.256 56.053 54.840 -0.073 0.000 0.755 283 L CB -0.297 41.731 42.059 -0.052 0.000 0.904 283 L HN 0.072 nan 8.230 nan 0.000 0.435 284 S N -1.489 114.102 115.700 -0.182 0.000 2.414 284 S HA -0.094 4.379 4.470 0.006 0.000 0.227 284 S C 1.864 176.342 174.600 -0.204 0.000 1.022 284 S CA 0.734 58.823 58.200 -0.185 0.000 0.958 284 S CB -0.055 63.051 63.200 -0.157 0.000 0.797 284 S HN 0.521 nan 8.310 nan 0.000 0.493 285 Q N -0.153 119.487 119.800 -0.268 0.000 2.089 285 Q HA -0.026 4.318 4.340 0.006 0.000 0.195 285 Q C 1.952 177.873 176.000 -0.130 0.000 0.963 285 Q CA 0.991 56.639 55.803 -0.259 0.000 0.834 285 Q CB -0.538 27.936 28.738 -0.440 0.000 0.906 285 Q HN 0.647 nan 8.270 nan 0.000 0.452 286 H N -0.158 118.808 119.070 -0.174 0.000 2.355 286 H HA 0.064 4.623 4.556 0.004 0.000 0.303 286 H C 0.683 175.850 175.328 -0.267 0.000 1.061 286 H CA 1.795 57.731 56.048 -0.187 0.000 1.368 286 H CB 0.538 30.180 29.762 -0.200 0.000 1.412 286 H HN 0.266 nan 8.280 nan 0.000 0.523 287 G N 0.106 108.801 108.800 -0.176 0.000 2.422 287 G HA2 -0.164 3.799 3.960 0.006 0.000 0.607 287 G HA3 -0.164 3.799 3.960 0.006 0.000 0.607 287 G C -0.304 174.425 174.900 -0.284 0.000 1.270 287 G CA -0.139 44.842 45.100 -0.199 0.000 0.992 287 G HN 0.633 nan 8.290 nan 0.000 0.499 288 V N -1.928 117.868 119.914 -0.196 0.000 3.032 288 V HA 0.580 4.703 4.120 0.006 0.000 0.307 288 V C 0.447 176.440 176.094 -0.168 0.000 1.097 288 V CA -0.133 62.064 62.300 -0.171 0.000 1.191 288 V CB 0.430 32.205 31.823 -0.079 0.000 0.964 288 V HN 0.975 nan 8.190 nan 0.000 0.494 289 F N 1.576 121.555 119.950 0.050 0.000 2.450 289 F HA 0.565 5.095 4.527 0.004 0.000 0.332 289 F C 0.917 176.738 175.800 0.034 0.000 1.093 289 F CA -0.273 57.743 58.000 0.027 0.000 1.003 289 F CB 1.743 40.754 39.000 0.019 0.000 1.151 289 F HN 0.780 nan 8.300 nan 0.000 0.474 290 S N 1.586 117.455 115.700 0.282 0.000 2.566 290 S HA -0.028 4.446 4.470 0.006 0.000 0.280 290 S C 1.485 176.166 174.600 0.134 0.000 1.343 290 S CA -0.173 58.126 58.200 0.165 0.000 1.036 290 S CB 0.533 63.807 63.200 0.122 0.000 0.866 290 S HN 0.833 nan 8.310 nan 0.000 0.526 291 E N 2.598 122.864 120.200 0.110 0.000 2.033 291 E HA -0.202 4.151 4.350 0.006 0.000 0.199 291 E C 2.178 178.846 176.600 0.112 0.000 1.011 291 E CA 1.540 58.013 56.400 0.121 0.000 0.815 291 E CB -0.393 29.389 29.700 0.136 0.000 0.755 291 E HN 0.796 nan 8.360 nan 0.000 0.451 292 A N 1.073 123.911 122.820 0.030 0.000 1.986 292 A HA -0.253 4.070 4.320 0.006 0.000 0.220 292 A C 1.738 179.284 177.584 -0.063 0.000 1.171 292 A CA 2.078 54.084 52.037 -0.052 0.000 0.640 292 A CB -0.513 18.429 19.000 -0.097 0.000 0.811 292 A HN 0.302 nan 8.150 nan 0.000 0.451 293 D N -1.028 119.336 120.400 -0.060 0.000 2.162 293 D HA -0.095 4.549 4.640 0.006 0.000 0.203 293 D C 1.914 178.098 176.300 -0.192 0.000 0.967 293 D CA 1.012 54.905 54.000 -0.179 0.000 0.840 293 D CB -0.335 40.359 40.800 -0.177 0.000 0.972 293 D HN 0.435 nan 8.370 nan 0.000 0.482 294 M N 1.232 120.816 119.600 -0.026 0.000 2.132 294 M HA -0.169 4.315 4.480 0.006 0.000 0.263 294 M C 2.299 178.668 176.300 0.115 0.000 1.065 294 M CA 1.119 56.449 55.300 0.050 0.000 1.122 294 M CB -0.094 32.542 32.600 0.061 0.000 1.365 294 M HN -0.124 nan 8.290 nan 0.000 0.411 295 R N -0.107 120.511 120.500 0.197 0.000 2.136 295 R HA -0.271 4.073 4.340 0.006 0.000 0.242 295 R C 2.084 178.528 176.300 0.240 0.000 1.131 295 R CA 2.667 58.971 56.100 0.340 0.000 0.937 295 R CB -1.218 29.185 30.300 0.171 0.000 0.863 295 R HN 0.391 nan 8.270 nan 0.000 0.435 296 F N 0.649 120.547 119.950 -0.085 0.000 2.069 296 F HA -0.230 4.302 4.527 0.007 0.000 0.298 296 F C 1.662 177.427 175.800 -0.058 0.000 1.113 296 F CA 1.410 59.321 58.000 -0.148 0.000 1.214 296 F CB -0.770 38.012 39.000 -0.364 0.000 0.978 296 F HN 0.050 nan 8.300 nan 0.000 0.474 297 Y N 0.815 120.957 120.300 -0.262 0.000 2.070 297 Y HA -0.193 4.360 4.550 0.005 0.000 0.280 297 Y C 2.814 178.585 175.900 -0.215 0.000 1.148 297 Y CA 1.122 59.007 58.100 -0.359 0.000 1.125 297 Y CB -1.710 36.615 38.460 -0.226 0.000 0.975 297 Y HN 0.189 nan 8.280 nan 0.000 0.492 298 A N 0.368 123.270 122.820 0.136 0.000 1.882 298 A HA -0.330 3.994 4.320 0.006 0.000 0.220 298 A C 2.559 180.211 177.584 0.113 0.000 1.253 298 A CA 3.166 55.313 52.037 0.183 0.000 0.664 298 A CB -1.599 17.628 19.000 0.378 0.000 0.838 298 A HN 0.500 nan 8.150 nan 0.000 0.460 299 A N -0.735 122.155 122.820 0.116 0.000 1.870 299 A HA -0.319 4.004 4.320 0.006 0.000 0.219 299 A C 1.955 179.484 177.584 -0.092 0.000 1.224 299 A CA 2.220 54.254 52.037 -0.005 0.000 0.650 299 A CB -0.924 18.017 19.000 -0.097 0.000 0.836 299 A HN 0.690 nan 8.150 nan 0.000 0.454 300 E N -0.702 119.354 120.200 -0.240 0.000 2.058 300 E HA -0.190 4.163 4.350 0.006 0.000 0.194 300 E C 2.053 178.414 176.600 -0.398 0.000 0.997 300 E CA 1.382 57.521 56.400 -0.435 0.000 0.801 300 E CB -0.360 29.201 29.700 -0.230 0.000 0.746 300 E HN 0.635 nan 8.360 nan 0.000 0.450 301 I N 1.097 121.560 120.570 -0.179 0.000 2.208 301 I HA -0.261 3.913 4.170 0.006 0.000 0.245 301 I C 2.475 178.505 176.117 -0.145 0.000 1.097 301 I CA 1.241 62.461 61.300 -0.133 0.000 1.363 301 I CB -1.235 36.722 38.000 -0.072 0.000 1.051 301 I HN 0.115 nan 8.210 nan 0.000 0.413 302 I N 0.568 121.092 120.570 -0.078 0.000 2.099 302 I HA -0.316 3.858 4.170 0.006 0.000 0.239 302 I C 2.720 178.764 176.117 -0.122 0.000 1.066 302 I CA 1.357 62.651 61.300 -0.011 0.000 1.324 302 I CB -0.494 37.532 38.000 0.042 0.000 1.037 302 I HN 0.116 nan 8.210 nan 0.000 0.401 303 L N 0.580 121.678 121.223 -0.209 0.000 2.021 303 L HA -0.263 4.080 4.340 0.006 0.000 0.215 303 L C 2.622 179.394 176.870 -0.164 0.000 1.074 303 L CA 1.937 56.623 54.840 -0.257 0.000 0.760 303 L CB -1.078 40.640 42.059 -0.568 0.000 0.889 303 L HN 0.413 nan 8.230 nan 0.000 0.433 304 G N -0.352 108.313 108.800 -0.224 0.000 2.491 304 G HA2 -0.283 3.680 3.960 0.006 0.000 0.218 304 G HA3 -0.283 3.680 3.960 0.006 0.000 0.218 304 G C 1.516 176.372 174.900 -0.073 0.000 1.180 304 G CA 0.964 46.049 45.100 -0.025 0.000 0.774 304 G HN 0.289 nan 8.290 nan 0.000 0.562 305 L N 0.307 121.399 121.223 -0.218 0.000 2.042 305 L HA -0.142 4.201 4.340 0.006 0.000 0.210 305 L C 2.789 179.374 176.870 -0.474 0.000 1.076 305 L CA 1.881 56.476 54.840 -0.408 0.000 0.749 305 L CB -0.613 41.012 42.059 -0.723 0.000 0.893 305 L HN 0.462 nan 8.230 nan 0.000 0.432 306 E N 0.009 120.034 120.200 -0.293 0.000 2.023 306 E HA -0.340 4.014 4.350 0.006 0.000 0.196 306 E C 2.108 178.705 176.600 -0.005 0.000 1.003 306 E CA 1.926 58.230 56.400 -0.160 0.000 0.809 306 E CB -0.198 29.460 29.700 -0.070 0.000 0.755 306 E HN 0.526 nan 8.360 nan 0.000 0.449 307 H N -0.098 118.958 119.070 -0.023 0.000 2.321 307 H HA -0.187 4.373 4.556 0.006 0.000 0.295 307 H C 2.216 177.577 175.328 0.055 0.000 1.102 307 H CA 2.713 58.783 56.048 0.037 0.000 1.266 307 H CB -0.051 29.767 29.762 0.094 0.000 1.363 307 H HN 0.199 nan 8.280 nan 0.000 0.492 308 M N -0.778 118.986 119.600 0.273 0.000 2.086 308 M HA -0.186 4.297 4.480 0.006 0.000 0.261 308 M C 2.121 178.607 176.300 0.310 0.000 1.067 308 M CA 1.844 57.320 55.300 0.293 0.000 1.116 308 M CB -0.574 32.207 32.600 0.302 0.000 1.348 308 M HN 0.553 nan 8.290 nan 0.000 0.407 309 H N -0.440 118.692 119.070 0.103 0.000 2.456 309 H HA -0.060 4.499 4.556 0.006 0.000 0.296 309 H C 1.556 176.901 175.328 0.029 0.000 1.079 309 H CA 0.721 56.866 56.048 0.161 0.000 1.322 309 H CB -0.229 29.625 29.762 0.152 0.000 1.388 309 H HN 0.552 nan 8.280 nan 0.000 0.538 310 N N 0.752 119.474 118.700 0.037 0.000 2.457 310 N HA -0.063 4.681 4.740 0.006 0.000 0.180 310 N C 1.309 176.614 175.510 -0.342 0.000 1.050 310 N CA 0.180 53.114 53.050 -0.192 0.000 0.906 310 N CB 0.188 38.556 38.487 -0.199 0.000 0.968 310 N HN 0.222 nan 8.380 nan 0.000 0.445 311 R N -0.170 120.213 120.500 -0.195 0.000 2.393 311 R HA 0.122 4.466 4.340 0.006 0.000 0.244 311 R C -0.614 175.650 176.300 -0.061 0.000 0.920 311 R CA -0.139 55.863 56.100 -0.164 0.000 1.076 311 R CB 0.197 30.468 30.300 -0.048 0.000 1.119 311 R HN 0.024 nan 8.270 nan 0.000 0.524 312 F N -1.551 118.329 119.950 -0.116 0.000 3.023 312 F HA -0.211 4.319 4.527 0.006 0.000 0.297 312 F C -0.697 174.995 175.800 -0.180 0.000 0.858 312 F CA 0.029 57.771 58.000 -0.430 0.000 1.222 312 F CB -1.798 36.816 39.000 -0.644 0.000 1.263 312 F HN -0.179 nan 8.300 nan 0.000 0.565 313 V N 0.756 120.860 119.914 0.315 0.000 2.555 313 V HA 0.746 4.869 4.120 0.006 0.000 0.302 313 V C -0.173 176.136 176.094 0.358 0.000 1.038 313 V CA -0.922 61.578 62.300 0.333 0.000 0.887 313 V CB 2.451 34.416 31.823 0.237 0.000 0.991 313 V HN -0.078 nan 8.190 nan 0.000 0.434 314 V N 5.363 125.446 119.914 0.282 0.000 2.409 314 V HA 0.256 4.380 4.120 0.006 0.000 0.291 314 V C 0.194 176.398 176.094 0.184 0.000 1.020 314 V CA -0.329 62.058 62.300 0.145 0.000 0.848 314 V CB 1.353 33.174 31.823 -0.004 0.000 0.990 314 V HN 0.904 nan 8.190 nan 0.000 0.430 315 Y N 4.515 124.860 120.300 0.075 0.000 2.243 315 Y HA -0.021 4.532 4.550 0.006 0.000 0.293 315 Y C 2.051 177.990 175.900 0.064 0.000 1.124 315 Y CA 1.750 59.894 58.100 0.072 0.000 1.159 315 Y CB 0.105 38.599 38.460 0.057 0.000 1.008 315 Y HN 0.709 nan 8.280 nan 0.000 0.527 316 R N -1.485 119.081 120.500 0.110 0.000 3.928 316 R HA -0.265 4.078 4.340 0.006 0.000 0.417 316 R C 0.140 176.449 176.300 0.015 0.000 0.647 316 R CA 1.578 57.693 56.100 0.024 0.000 1.610 316 R CB -1.920 28.373 30.300 -0.012 0.000 2.164 316 R HN 0.327 nan 8.270 nan 0.000 0.406 317 D N 0.905 121.234 120.400 -0.117 0.000 2.615 317 D HA 0.125 4.768 4.640 0.006 0.000 0.236 317 D C -0.615 175.896 176.300 0.351 0.000 1.233 317 D CA -0.347 53.668 54.000 0.025 0.000 0.829 317 D CB 0.163 40.876 40.800 -0.144 0.000 1.024 317 D HN -0.024 nan 8.370 nan 0.000 0.490 318 L N 2.332 123.801 121.223 0.409 0.000 2.698 318 L HA 0.129 4.473 4.340 0.006 0.000 0.272 318 L C 0.050 176.926 176.870 0.010 0.000 1.154 318 L CA 0.828 55.807 54.840 0.232 0.000 0.964 318 L CB -0.891 41.234 42.059 0.111 0.000 1.272 318 L HN 0.214 nan 8.230 nan 0.000 0.483 319 K N 5.689 126.084 120.400 -0.007 0.000 2.568 319 K HA 0.536 4.860 4.320 0.006 0.000 0.273 319 K C -2.678 173.905 176.600 -0.028 0.000 0.951 319 K CA -1.135 55.061 56.287 -0.152 0.000 0.854 319 K CB 1.672 34.220 32.500 0.079 0.000 1.424 319 K HN 0.065 nan 8.250 nan 0.000 0.427 320 P HA -0.253 nan 4.420 nan 0.000 0.216 320 P C 1.036 178.424 177.300 0.148 0.000 1.153 320 P CA 2.029 65.185 63.100 0.093 0.000 0.858 320 P CB -0.049 31.785 31.700 0.222 0.000 0.789 321 A N -1.104 121.826 122.820 0.184 0.000 2.235 321 A HA -0.033 4.291 4.320 0.006 0.000 0.208 321 A C 1.729 179.375 177.584 0.103 0.000 1.172 321 A CA 0.789 52.910 52.037 0.139 0.000 0.786 321 A CB -0.977 18.029 19.000 0.010 0.000 0.804 321 A HN 0.104 nan 8.150 nan 0.000 0.479 322 N N -0.386 118.379 118.700 0.108 0.000 2.230 322 N HA 0.250 4.993 4.740 0.006 0.000 0.202 322 N C -0.481 175.074 175.510 0.076 0.000 1.119 322 N CA 0.207 53.331 53.050 0.123 0.000 0.851 322 N CB 0.250 38.866 38.487 0.215 0.000 0.990 322 N HN 0.424 nan 8.380 nan 0.000 0.497 323 I N 1.460 122.057 120.570 0.045 0.000 2.328 323 I HA 0.230 4.403 4.170 0.006 0.000 0.287 323 I C -0.140 175.993 176.117 0.028 0.000 1.012 323 I CA -0.436 60.865 61.300 0.002 0.000 1.195 323 I CB 1.341 39.304 38.000 -0.062 0.000 1.350 323 I HN -0.246 nan 8.210 nan 0.000 0.464 324 L N 6.631 127.878 121.223 0.040 0.000 2.399 324 L HA 0.531 4.874 4.340 0.006 0.000 0.265 324 L C -0.646 176.263 176.870 0.066 0.000 1.089 324 L CA -0.835 54.043 54.840 0.064 0.000 0.802 324 L CB 1.503 43.599 42.059 0.061 0.000 1.180 324 L HN 0.402 nan 8.230 nan 0.000 0.454 325 L N 0.824 122.099 121.223 0.087 0.000 2.362 325 L HA 0.391 4.735 4.340 0.006 0.000 0.271 325 L C -0.491 176.431 176.870 0.086 0.000 1.002 325 L CA -0.650 54.245 54.840 0.092 0.000 0.818 325 L CB 1.801 43.901 42.059 0.068 0.000 1.298 325 L HN 0.529 nan 8.230 nan 0.000 0.420 326 D N 0.112 120.570 120.400 0.096 0.000 2.388 326 D HA 0.126 4.769 4.640 0.006 0.000 0.254 326 D C 0.603 176.929 176.300 0.043 0.000 1.111 326 D CA -0.608 53.434 54.000 0.071 0.000 0.993 326 D CB 0.736 41.594 40.800 0.096 0.000 1.118 326 D HN 0.660 nan 8.370 nan 0.000 0.502 327 E N -0.540 119.642 120.200 -0.030 0.000 2.130 327 E HA -0.265 4.088 4.350 0.006 0.000 0.196 327 E C 1.440 177.951 176.600 -0.148 0.000 0.998 327 E CA 1.241 57.566 56.400 -0.126 0.000 0.806 327 E CB -0.358 29.185 29.700 -0.263 0.000 0.738 327 E HN 0.480 nan 8.360 nan 0.000 0.459 328 H N -0.873 118.227 119.070 0.051 0.000 2.548 328 H HA 0.120 4.677 4.556 0.002 0.000 0.268 328 H C 1.520 176.833 175.328 -0.025 0.000 0.975 328 H CA 1.116 57.187 56.048 0.037 0.000 1.195 328 H CB 1.013 30.827 29.762 0.086 0.000 1.397 328 H HN 0.458 nan 8.280 nan 0.000 0.572 329 G N 0.100 108.950 108.800 0.082 0.000 2.192 329 G HA2 -0.181 3.782 3.960 0.006 0.000 0.193 329 G HA3 -0.181 3.782 3.960 0.006 0.000 0.193 329 G C 0.210 175.155 174.900 0.074 0.000 0.999 329 G CA -0.270 44.836 45.100 0.011 0.000 0.659 329 G HN 0.399 nan 8.290 nan 0.000 0.503 330 H N -0.355 118.875 119.070 0.267 0.000 2.437 330 H HA 0.721 5.281 4.556 0.005 0.000 0.338 330 H C 0.656 176.117 175.328 0.221 0.000 1.495 330 H CA 0.659 56.907 56.048 0.333 0.000 1.453 330 H CB 1.499 31.415 29.762 0.257 0.000 1.707 330 H HN 0.753 nan 8.280 nan 0.000 0.655 331 V N -1.630 118.484 119.914 0.334 0.000 3.181 331 V HA 0.745 4.868 4.120 0.006 0.000 0.308 331 V C -0.541 175.646 176.094 0.154 0.000 1.214 331 V CA -1.024 61.385 62.300 0.182 0.000 1.053 331 V CB 2.863 34.753 31.823 0.112 0.000 1.069 331 V HN 0.704 nan 8.190 nan 0.000 0.441 332 R N 0.466 121.017 120.500 0.084 0.000 2.734 332 R HA 0.728 5.071 4.340 0.006 0.000 0.271 332 R C -1.381 174.923 176.300 0.007 0.000 1.021 332 R CA -0.794 55.341 56.100 0.060 0.000 0.893 332 R CB 2.325 32.634 30.300 0.015 0.000 1.244 332 R HN 0.788 nan 8.270 nan 0.000 0.464 333 I N -0.245 120.302 120.570 -0.039 0.000 2.797 333 I HA 0.249 4.422 4.170 0.006 0.000 0.310 333 I C 1.046 177.148 176.117 -0.025 0.000 0.990 333 I CA 0.139 61.365 61.300 -0.124 0.000 1.228 333 I CB 1.716 39.505 38.000 -0.350 0.000 1.406 333 I HN 0.663 nan 8.210 nan 0.000 0.534 334 S N 1.017 116.758 115.700 0.068 0.000 3.472 334 S HA 0.094 4.568 4.470 0.006 0.000 0.247 334 S C -0.030 174.693 174.600 0.205 0.000 1.084 334 S CA -0.066 58.215 58.200 0.135 0.000 0.795 334 S CB 0.073 63.343 63.200 0.115 0.000 0.892 334 S HN 0.721 nan 8.310 nan 0.000 0.513 335 D N 0.977 121.547 120.400 0.282 0.000 2.396 335 D HA 0.448 5.091 4.640 0.006 0.000 0.225 335 D C 0.362 176.752 176.300 0.150 0.000 1.121 335 D CA -0.124 53.991 54.000 0.191 0.000 0.853 335 D CB 1.105 41.989 40.800 0.139 0.000 1.043 335 D HN 0.214 nan 8.370 nan 0.000 0.500 336 L N 2.922 124.222 121.223 0.127 0.000 2.567 336 L HA 0.283 4.626 4.340 0.006 0.000 0.225 336 L C 2.513 179.381 176.870 -0.004 0.000 1.119 336 L CA 0.206 55.091 54.840 0.075 0.000 0.871 336 L CB -0.113 42.018 42.059 0.119 0.000 1.036 336 L HN 0.594 nan 8.230 nan 0.000 0.459 337 G N 1.166 109.990 108.800 0.040 0.000 2.606 337 G HA2 -0.284 3.679 3.960 0.006 0.000 0.221 337 G HA3 -0.284 3.679 3.960 0.006 0.000 0.221 337 G C 1.130 176.035 174.900 0.010 0.000 1.152 337 G CA 1.074 46.212 45.100 0.063 0.000 0.765 337 G HN 0.367 nan 8.290 nan 0.000 0.595 338 L N 1.127 122.309 121.223 -0.067 0.000 2.888 338 L HA 0.626 4.969 4.340 0.006 0.000 0.237 338 L C 0.909 177.699 176.870 -0.133 0.000 1.288 338 L CA -0.038 54.751 54.840 -0.084 0.000 1.110 338 L CB 0.123 42.126 42.059 -0.093 0.000 1.441 338 L HN 0.313 nan 8.230 nan 0.000 0.474 339 A N -1.108 121.659 122.820 -0.088 0.000 2.346 339 A HA 0.825 5.148 4.320 0.006 0.000 0.313 339 A C -0.973 176.631 177.584 0.034 0.000 1.140 339 A CA -0.570 51.442 52.037 -0.041 0.000 0.826 339 A CB 1.738 20.732 19.000 -0.010 0.000 1.332 339 A HN 0.209 nan 8.150 nan 0.000 0.457 340 C N -0.017 119.330 119.300 0.078 0.000 2.888 340 C HA 0.657 5.120 4.460 0.006 0.000 0.308 340 C C -1.105 173.975 174.990 0.151 0.000 1.213 340 C CA -0.566 58.504 59.018 0.087 0.000 1.461 340 C CB 1.234 29.003 27.740 0.048 0.000 1.934 340 C HN 1.000 nan 8.230 nan 0.000 0.474 341 D N 1.713 122.185 120.400 0.120 0.000 2.295 341 D HA 0.377 5.020 4.640 0.006 0.000 0.248 341 D C 0.191 176.567 176.300 0.128 0.000 1.154 341 D CA -0.306 53.764 54.000 0.115 0.000 0.857 341 D CB 0.382 41.214 40.800 0.054 0.000 1.117 341 D HN 0.456 nan 8.370 nan 0.000 0.468 342 F N 1.939 121.867 119.950 -0.036 0.000 2.668 342 F HA 0.245 4.775 4.527 0.005 0.000 0.301 342 F C 1.686 177.348 175.800 -0.230 0.000 1.106 342 F CA -0.196 57.731 58.000 -0.122 0.000 1.289 342 F CB -0.769 38.152 39.000 -0.130 0.000 1.006 342 F HN 0.277 nan 8.300 nan 0.000 0.535 343 S N 0.964 116.367 115.700 -0.496 0.000 2.374 343 S HA -0.233 4.241 4.470 0.006 0.000 0.227 343 S C 1.583 175.918 174.600 -0.441 0.000 1.037 343 S CA 1.755 59.548 58.200 -0.679 0.000 1.024 343 S CB -0.365 62.639 63.200 -0.327 0.000 0.861 343 S HN 0.625 nan 8.310 nan 0.000 0.456 344 K N 0.212 120.478 120.400 -0.222 0.000 2.380 344 K HA 0.316 4.639 4.320 0.006 0.000 0.200 344 K C 0.086 176.635 176.600 -0.084 0.000 1.201 344 K CA 0.240 56.443 56.287 -0.140 0.000 0.916 344 K CB 0.459 32.904 32.500 -0.092 0.000 1.187 344 K HN 0.104 nan 8.250 nan 0.000 0.498 345 K N 2.374 122.741 120.400 -0.055 0.000 2.464 345 K HA 0.254 4.577 4.320 0.006 0.000 0.252 345 K C -1.161 175.431 176.600 -0.013 0.000 1.000 345 K CA -0.290 55.981 56.287 -0.027 0.000 0.951 345 K CB 1.475 33.967 32.500 -0.014 0.000 1.183 345 K HN -0.036 nan 8.250 nan 0.000 0.445 346 K N 3.797 124.183 120.400 -0.023 0.000 2.298 346 K HA 0.194 4.517 4.320 0.006 0.000 0.280 346 K C -2.085 174.421 176.600 -0.157 0.000 1.032 346 K CA -1.502 54.738 56.287 -0.079 0.000 0.958 346 K CB 0.243 32.691 32.500 -0.087 0.000 0.978 346 K HN 0.327 nan 8.250 nan 0.000 0.472 347 P HA 0.127 nan 4.420 nan 0.000 0.282 347 P C -0.436 176.651 177.300 -0.355 0.000 1.259 347 P CA -0.284 62.619 63.100 -0.328 0.000 0.826 347 P CB 0.736 32.215 31.700 -0.369 0.000 1.064 348 H N -0.740 118.254 119.070 -0.126 0.000 3.241 348 H HA 0.396 4.955 4.556 0.006 0.000 0.260 348 H C 0.442 175.850 175.328 0.134 0.000 1.084 348 H CA -0.280 55.786 56.048 0.029 0.000 1.203 348 H CB -0.302 29.462 29.762 0.002 0.000 1.524 348 H HN 0.405 nan 8.280 nan 0.000 0.521 349 A N 1.344 124.000 122.820 -0.273 0.000 2.455 349 A HA 0.194 4.517 4.320 0.006 0.000 0.244 349 A C 0.432 178.028 177.584 0.021 0.000 1.099 349 A CA 0.401 52.335 52.037 -0.173 0.000 0.786 349 A CB 0.096 18.975 19.000 -0.201 0.000 1.051 349 A HN 0.363 nan 8.150 nan 0.000 0.508 350 S N 0.030 115.717 115.700 -0.021 0.000 2.457 350 S HA 0.484 4.957 4.470 0.006 0.000 0.216 350 S C -0.868 173.692 174.600 -0.066 0.000 1.392 350 S CA -0.505 57.665 58.200 -0.049 0.000 1.102 350 S CB -0.694 62.475 63.200 -0.053 0.000 1.114 350 S HN 0.587 nan 8.310 nan 0.000 0.484 351 V N 3.176 123.060 119.914 -0.050 0.000 2.448 351 V HA 0.968 5.091 4.120 0.006 0.000 0.295 351 V C 0.660 176.717 176.094 -0.061 0.000 1.025 351 V CA -0.125 62.151 62.300 -0.041 0.000 0.859 351 V CB 0.904 32.722 31.823 -0.008 0.000 0.988 351 V HN 0.869 nan 8.190 nan 0.000 0.431 352 G N 2.935 111.698 108.800 -0.062 0.000 2.352 352 G HA2 0.332 4.296 3.960 0.006 0.000 0.302 352 G HA3 0.332 4.296 3.960 0.006 0.000 0.302 352 G C -0.812 174.076 174.900 -0.019 0.000 1.370 352 G CA -0.610 44.473 45.100 -0.029 0.000 0.918 352 G HN 0.560 nan 8.290 nan 0.000 0.610 353 T N 0.646 115.245 114.554 0.075 0.000 2.889 353 T HA 0.378 4.731 4.350 0.006 0.000 0.291 353 T C 1.268 175.989 174.700 0.036 0.000 0.995 353 T CA -0.316 61.845 62.100 0.102 0.000 1.092 353 T CB 1.217 70.196 68.868 0.186 0.000 0.954 353 T HN 0.521 nan 8.240 nan 0.000 0.506 354 H N 2.121 121.173 119.070 -0.031 0.000 2.456 354 H HA -0.075 4.484 4.556 0.005 0.000 0.296 354 H C 2.370 177.648 175.328 -0.084 0.000 1.079 354 H CA 1.426 57.445 56.048 -0.047 0.000 1.322 354 H CB -0.112 29.624 29.762 -0.044 0.000 1.388 354 H HN 0.829 nan 8.280 nan 0.000 0.538 355 G N 0.106 108.815 108.800 -0.152 0.000 2.422 355 G HA2 -0.207 3.757 3.960 0.006 0.000 0.218 355 G HA3 -0.207 3.757 3.960 0.006 0.000 0.218 355 G C 0.089 174.942 174.900 -0.078 0.000 1.146 355 G CA 0.391 45.336 45.100 -0.258 0.000 0.769 355 G HN 0.332 nan 8.290 nan 0.000 0.547 356 Y N -0.020 120.425 120.300 0.243 0.000 2.836 356 Y HA 0.697 5.251 4.550 0.006 0.000 0.359 356 Y C 0.077 176.112 175.900 0.225 0.000 1.060 356 Y CA -0.766 57.495 58.100 0.269 0.000 1.161 356 Y CB 0.123 38.702 38.460 0.200 0.000 1.225 356 Y HN -0.127 nan 8.280 nan 0.000 0.621 357 M N 1.396 121.181 119.600 0.308 0.000 2.386 357 M HA 0.737 5.221 4.480 0.006 0.000 0.293 357 M C -0.420 175.829 176.300 -0.085 0.000 1.120 357 M CA -0.958 54.393 55.300 0.085 0.000 0.909 357 M CB 2.374 34.923 32.600 -0.086 0.000 1.661 357 M HN 0.491 nan 8.290 nan 0.000 0.452 358 A N 2.886 125.526 122.820 -0.300 0.000 2.351 358 A HA 0.516 4.839 4.320 0.006 0.000 0.257 358 A C -2.003 175.233 177.584 -0.581 0.000 1.087 358 A CA -1.275 50.294 52.037 -0.781 0.000 0.798 358 A CB -0.225 18.458 19.000 -0.529 0.000 1.033 358 A HN 0.622 nan 8.150 nan 0.000 0.488 359 P HA -0.198 nan 4.420 nan 0.000 0.217 359 P C 0.821 177.959 177.300 -0.270 0.000 1.151 359 P CA 1.812 64.698 63.100 -0.357 0.000 0.849 359 P CB 0.155 31.683 31.700 -0.288 0.000 0.787 360 E N -0.844 119.183 120.200 -0.288 0.000 2.077 360 E HA -0.126 4.227 4.350 0.006 0.000 0.193 360 E C 1.947 178.381 176.600 -0.276 0.000 0.989 360 E CA 1.224 57.499 56.400 -0.207 0.000 0.800 360 E CB -0.940 28.664 29.700 -0.161 0.000 0.746 360 E HN 0.091 nan 8.360 nan 0.000 0.452 361 V N 0.911 120.502 119.914 -0.539 0.000 2.270 361 V HA -0.236 3.887 4.120 0.006 0.000 0.245 361 V C 2.295 178.262 176.094 -0.212 0.000 1.043 361 V CA 1.492 63.471 62.300 -0.535 0.000 1.014 361 V CB -0.696 30.789 31.823 -0.563 0.000 0.645 361 V HN 0.203 nan 8.190 nan 0.000 0.447 362 L N -0.585 120.508 121.223 -0.218 0.000 2.127 362 L HA -0.174 4.170 4.340 0.006 0.000 0.211 362 L C 1.491 178.311 176.870 -0.083 0.000 1.089 362 L CA 1.231 55.982 54.840 -0.148 0.000 0.757 362 L CB -0.469 41.489 42.059 -0.168 0.000 0.899 362 L HN 0.423 nan 8.230 nan 0.000 0.434 363 Q N 0.420 120.177 119.800 -0.072 0.000 2.340 363 Q HA 0.123 4.467 4.340 0.006 0.000 0.249 363 Q C -0.266 175.748 176.000 0.022 0.000 0.957 363 Q CA -0.018 55.767 55.803 -0.029 0.000 0.882 363 Q CB 0.719 29.437 28.738 -0.032 0.000 1.235 363 Q HN 0.103 nan 8.270 nan 0.000 0.439 364 K N 1.367 121.782 120.400 0.025 0.000 2.220 364 K HA 0.224 4.547 4.320 0.006 0.000 0.283 364 K C 0.414 177.050 176.600 0.060 0.000 1.098 364 K CA 0.395 56.718 56.287 0.060 0.000 0.928 364 K CB 0.254 32.775 32.500 0.035 0.000 1.214 364 K HN 0.957 nan 8.250 nan 0.000 0.442 365 G N 1.235 110.101 108.800 0.110 0.000 2.336 365 G HA2 -0.216 3.747 3.960 0.006 0.000 0.194 365 G HA3 -0.216 3.747 3.960 0.006 0.000 0.194 365 G C 0.047 174.973 174.900 0.044 0.000 0.999 365 G CA -0.629 44.486 45.100 0.025 0.000 0.669 365 G HN 0.370 nan 8.290 nan 0.000 0.482 366 V N 2.255 122.222 119.914 0.088 0.000 2.488 366 V HA 0.642 4.765 4.120 0.006 0.000 0.277 366 V C 0.920 177.113 176.094 0.166 0.000 1.046 366 V CA 0.131 62.484 62.300 0.089 0.000 0.986 366 V CB 1.206 33.065 31.823 0.059 0.000 0.989 366 V HN 1.040 nan 8.190 nan 0.000 0.475 367 A N 6.127 129.003 122.820 0.093 0.000 2.301 367 A HA 0.767 5.090 4.320 0.006 0.000 0.298 367 A C -0.662 176.956 177.584 0.057 0.000 1.185 367 A CA -0.360 51.691 52.037 0.024 0.000 0.830 367 A CB 0.239 19.222 19.000 -0.029 0.000 1.112 367 A HN 0.968 nan 8.150 nan 0.000 0.508 368 Y N 0.415 120.680 120.300 -0.059 0.000 2.634 368 Y HA 0.755 5.308 4.550 0.005 0.000 0.340 368 Y C -0.065 175.702 175.900 -0.221 0.000 1.058 368 Y CA -0.909 57.124 58.100 -0.111 0.000 1.081 368 Y CB 1.208 39.605 38.460 -0.105 0.000 1.295 368 Y HN 0.649 nan 8.280 nan 0.000 0.487 369 D N -0.156 120.152 120.400 -0.153 0.000 2.876 369 D HA 0.099 4.742 4.640 0.006 0.000 0.197 369 D C 1.163 177.144 176.300 -0.531 0.000 1.304 369 D CA 0.287 53.889 54.000 -0.662 0.000 1.152 369 D CB 0.058 40.411 40.800 -0.744 0.000 1.169 369 D HN 0.592 nan 8.370 nan 0.000 0.567 370 S N 0.531 115.845 115.700 -0.642 0.000 2.383 370 S HA -0.254 4.219 4.470 0.006 0.000 0.229 370 S C 2.229 176.735 174.600 -0.157 0.000 1.030 370 S CA 2.305 60.187 58.200 -0.531 0.000 1.002 370 S CB -1.183 61.634 63.200 -0.638 0.000 0.829 370 S HN 0.588 nan 8.310 nan 0.000 0.467 371 S N 3.445 119.178 115.700 0.055 0.000 2.414 371 S HA -0.288 4.186 4.470 0.006 0.000 0.241 371 S C 2.027 176.738 174.600 0.185 0.000 1.079 371 S CA 1.541 59.877 58.200 0.226 0.000 1.087 371 S CB -1.393 61.898 63.200 0.152 0.000 0.927 371 S HN 1.020 nan 8.310 nan 0.000 0.456 372 A N 1.777 124.624 122.820 0.044 0.000 2.019 372 A HA -0.079 4.244 4.320 0.006 0.000 0.219 372 A C 1.979 179.620 177.584 0.096 0.000 1.164 372 A CA 1.564 53.595 52.037 -0.010 0.000 0.644 372 A CB -0.757 18.107 19.000 -0.227 0.000 0.805 372 A HN 0.532 nan 8.150 nan 0.000 0.449 373 D N -0.942 119.475 120.400 0.029 0.000 2.097 373 D HA -0.154 4.489 4.640 0.006 0.000 0.197 373 D C 1.741 178.073 176.300 0.052 0.000 0.984 373 D CA 1.037 55.033 54.000 -0.006 0.000 0.826 373 D CB -0.432 40.287 40.800 -0.135 0.000 0.973 373 D HN 0.739 nan 8.370 nan 0.000 0.460 374 W N 0.266 121.692 121.300 0.210 0.000 2.338 374 W HA -0.193 4.470 4.660 0.005 0.000 0.304 374 W C 2.242 178.861 176.519 0.167 0.000 1.212 374 W CA 0.065 57.510 57.345 0.167 0.000 1.264 374 W CB -0.563 28.993 29.460 0.160 0.000 1.142 374 W HN -0.063 nan 8.180 nan 0.000 0.512 375 F N 1.143 121.271 119.950 0.297 0.000 2.031 375 F HA -0.271 4.260 4.527 0.006 0.000 0.295 375 F C 2.606 178.518 175.800 0.186 0.000 1.133 375 F CA 2.408 60.531 58.000 0.205 0.000 1.188 375 F CB -0.951 38.139 39.000 0.149 0.000 0.974 375 F HN -0.341 nan 8.300 nan 0.000 0.473 376 S N 0.911 116.857 115.700 0.409 0.000 2.381 376 S HA -0.300 4.174 4.470 0.006 0.000 0.230 376 S C 1.824 176.500 174.600 0.126 0.000 1.052 376 S CA 1.658 60.031 58.200 0.289 0.000 1.068 376 S CB -0.972 62.368 63.200 0.234 0.000 0.918 376 S HN 0.420 nan 8.310 nan 0.000 0.448 377 L N 1.986 123.282 121.223 0.121 0.000 1.951 377 L HA -0.123 4.221 4.340 0.006 0.000 0.222 377 L C 2.409 179.305 176.870 0.043 0.000 1.078 377 L CA 2.484 57.374 54.840 0.083 0.000 0.778 377 L CB -1.513 40.664 42.059 0.198 0.000 0.893 377 L HN 0.309 nan 8.230 nan 0.000 0.436 378 G N -1.127 107.692 108.800 0.033 0.000 2.556 378 G HA2 -0.373 3.591 3.960 0.006 0.000 0.220 378 G HA3 -0.373 3.591 3.960 0.006 0.000 0.220 378 G C 1.595 176.465 174.900 -0.051 0.000 1.156 378 G CA 1.428 46.497 45.100 -0.051 0.000 0.766 378 G HN 0.638 nan 8.290 nan 0.000 0.583 379 C N 0.047 119.299 119.300 -0.079 0.000 2.413 379 C HA -0.040 4.424 4.460 0.006 0.000 0.276 379 C C 2.760 177.833 174.990 0.139 0.000 1.236 379 C CA 1.267 60.308 59.018 0.038 0.000 1.735 379 C CB -0.971 26.927 27.740 0.263 0.000 2.031 379 C HN 0.560 nan 8.230 nan 0.000 0.474 380 M N 0.301 119.871 119.600 -0.050 0.000 2.132 380 M HA -0.107 4.377 4.480 0.006 0.000 0.263 380 M C 2.128 178.437 176.300 0.015 0.000 1.065 380 M CA 1.808 57.021 55.300 -0.145 0.000 1.122 380 M CB -0.296 32.147 32.600 -0.262 0.000 1.365 380 M HN 0.398 nan 8.290 nan 0.000 0.411 381 L N -0.495 120.740 121.223 0.021 0.000 1.989 381 L HA -0.259 4.084 4.340 0.006 0.000 0.211 381 L C 2.466 179.351 176.870 0.024 0.000 1.071 381 L CA 1.734 56.582 54.840 0.014 0.000 0.749 381 L CB -1.093 40.956 42.059 -0.017 0.000 0.890 381 L HN 0.301 nan 8.230 nan 0.000 0.431 382 F N 1.184 121.076 119.950 -0.097 0.000 2.063 382 F HA -0.375 4.155 4.527 0.006 0.000 0.298 382 F C 2.705 178.507 175.800 0.004 0.000 1.105 382 F CA 2.294 60.242 58.000 -0.088 0.000 1.215 382 F CB -0.260 38.686 39.000 -0.090 0.000 0.972 382 F HN -0.084 nan 8.300 nan 0.000 0.483 383 K N 0.462 121.002 120.400 0.234 0.000 2.103 383 K HA -0.188 4.135 4.320 0.006 0.000 0.207 383 K C 2.077 178.694 176.600 0.028 0.000 1.048 383 K CA 1.855 58.249 56.287 0.180 0.000 0.930 383 K CB -0.379 32.311 32.500 0.316 0.000 0.716 383 K HN 0.454 nan 8.250 nan 0.000 0.444 384 L N 0.728 121.982 121.223 0.051 0.000 2.265 384 L HA -0.173 4.170 4.340 0.006 0.000 0.215 384 L C 2.152 179.072 176.870 0.084 0.000 1.117 384 L CA 0.793 55.710 54.840 0.128 0.000 0.782 384 L CB -0.298 41.877 42.059 0.194 0.000 0.914 384 L HN 0.231 nan 8.230 nan 0.000 0.441 385 L N -1.225 119.952 121.223 -0.077 0.000 2.298 385 L HA 0.028 4.372 4.340 0.006 0.000 0.209 385 L C 2.495 179.286 176.870 -0.132 0.000 1.084 385 L CA 0.398 55.180 54.840 -0.097 0.000 0.816 385 L CB -0.112 41.806 42.059 -0.234 0.000 0.967 385 L HN 0.152 nan 8.230 nan 0.000 0.460 386 R N -0.880 119.448 120.500 -0.288 0.000 2.316 386 R HA 0.291 4.634 4.340 0.006 0.000 0.201 386 R C 1.343 177.484 176.300 -0.264 0.000 0.888 386 R CA 0.869 56.782 56.100 -0.312 0.000 1.041 386 R CB 0.819 30.769 30.300 -0.583 0.000 1.115 386 R HN 0.336 nan 8.270 nan 0.000 0.559 387 G N 1.311 110.013 108.800 -0.162 0.000 2.308 387 G HA2 -0.268 3.695 3.960 0.006 0.000 0.221 387 G HA3 -0.268 3.695 3.960 0.006 0.000 0.221 387 G C -0.048 174.876 174.900 0.040 0.000 1.032 387 G CA 0.450 45.488 45.100 -0.103 0.000 0.623 387 G HN 0.562 nan 8.290 nan 0.000 0.506 388 H N 0.994 120.128 119.070 0.105 0.000 2.710 388 H HA 0.856 5.415 4.556 0.006 0.000 0.361 388 H C 0.407 175.941 175.328 0.344 0.000 1.175 388 H CA -0.763 55.405 56.048 0.201 0.000 1.206 388 H CB 0.479 30.348 29.762 0.178 0.000 1.750 388 H HN 0.258 nan 8.280 nan 0.000 0.553 389 S N 1.450 117.396 115.700 0.410 0.000 2.573 389 S HA 0.066 4.539 4.470 0.006 0.000 0.277 389 S C -1.713 172.912 174.600 0.041 0.000 1.346 389 S CA -0.563 57.805 58.200 0.280 0.000 1.034 389 S CB 0.425 63.645 63.200 0.033 0.000 0.879 389 S HN 0.662 nan 8.310 nan 0.000 0.528 390 P HA 0.064 nan 4.420 nan 0.000 0.225 390 P C 0.263 177.009 177.300 -0.923 0.000 1.156 390 P CA 0.912 63.330 63.100 -1.136 0.000 0.787 390 P CB -0.014 30.674 31.700 -1.687 0.000 0.802 391 F N -1.881 117.961 119.950 -0.179 0.000 2.682 391 F HA 0.279 4.809 4.527 0.006 0.000 0.308 391 F C 1.278 177.001 175.800 -0.130 0.000 1.093 391 F CA -0.426 57.499 58.000 -0.125 0.000 1.244 391 F CB -0.132 38.831 39.000 -0.062 0.000 1.052 391 F HN -0.329 nan 8.300 nan 0.000 0.573 392 R N 1.989 122.450 120.500 -0.066 0.000 2.870 392 R HA 0.183 4.527 4.340 0.006 0.000 0.254 392 R C -0.230 175.960 176.300 -0.185 0.000 1.392 392 R CA 0.014 56.072 56.100 -0.070 0.000 1.322 392 R CB -0.224 30.066 30.300 -0.018 0.000 1.205 392 R HN 0.300 nan 8.270 nan 0.000 0.597 393 Q N 1.804 121.553 119.800 -0.085 0.000 2.894 393 Q HA 0.025 4.369 4.340 0.006 0.000 0.358 393 Q C -1.072 175.007 176.000 0.132 0.000 1.155 393 Q CA -0.171 55.627 55.803 -0.008 0.000 0.960 393 Q CB -0.045 28.705 28.738 0.020 0.000 1.428 393 Q HN 0.501 nan 8.270 nan 0.000 0.437 394 H N 0.619 119.704 119.070 0.024 0.000 2.935 394 H HA -0.140 4.420 4.556 0.005 0.000 0.341 394 H C -1.323 174.016 175.328 0.018 0.000 1.161 394 H CA 0.399 56.471 56.048 0.040 0.000 1.135 394 H CB -0.454 29.345 29.762 0.061 0.000 1.605 394 H HN 0.123 nan 8.280 nan 0.000 0.409 395 K N 2.517 122.822 120.400 -0.158 0.000 2.502 395 K HA 0.281 4.604 4.320 0.006 0.000 0.254 395 K C 1.118 177.588 176.600 -0.217 0.000 0.947 395 K CA -0.039 56.132 56.287 -0.194 0.000 0.834 395 K CB 1.555 33.994 32.500 -0.102 0.000 1.112 395 K HN 0.393 nan 8.250 nan 0.000 0.427 396 T N 1.620 116.015 114.554 -0.265 0.000 2.639 396 T HA -0.067 4.286 4.350 0.006 0.000 0.261 396 T C 1.361 175.980 174.700 -0.135 0.000 1.053 396 T CA 1.203 63.187 62.100 -0.194 0.000 1.158 396 T CB 0.178 68.946 68.868 -0.168 0.000 0.863 396 T HN 0.421 nan 8.240 nan 0.000 0.413 397 K N 0.020 120.334 120.400 -0.143 0.000 2.391 397 K HA 0.119 4.442 4.320 0.006 0.000 0.197 397 K C -0.080 176.390 176.600 -0.217 0.000 1.087 397 K CA -0.095 56.098 56.287 -0.156 0.000 1.012 397 K CB 0.627 33.050 32.500 -0.128 0.000 0.925 397 K HN 0.118 nan 8.250 nan 0.000 0.547 398 D N 2.687 122.962 120.400 -0.208 0.000 2.429 398 D HA -0.024 4.619 4.640 0.006 0.000 0.253 398 D C 0.700 176.834 176.300 -0.277 0.000 1.294 398 D CA 0.353 54.195 54.000 -0.263 0.000 1.063 398 D CB 0.869 41.563 40.800 -0.177 0.000 1.096 398 D HN -0.005 nan 8.370 nan 0.000 0.516 399 K N 1.363 121.515 120.400 -0.413 0.000 2.148 399 K HA -0.130 4.193 4.320 0.006 0.000 0.204 399 K C 1.406 177.951 176.600 -0.092 0.000 1.050 399 K CA 0.932 57.027 56.287 -0.320 0.000 0.942 399 K CB -0.131 32.043 32.500 -0.544 0.000 0.724 399 K HN 0.528 nan 8.250 nan 0.000 0.446 400 H N 0.660 119.692 119.070 -0.063 0.000 2.491 400 H HA -0.017 4.542 4.556 0.006 0.000 0.290 400 H C 1.779 177.084 175.328 -0.039 0.000 1.050 400 H CA 0.866 56.891 56.048 -0.038 0.000 1.309 400 H CB -0.020 29.720 29.762 -0.036 0.000 1.392 400 H HN 0.274 nan 8.280 nan 0.000 0.554 401 E N 0.453 120.675 120.200 0.038 0.000 2.230 401 E HA 0.039 4.393 4.350 0.006 0.000 0.192 401 E C 1.951 178.554 176.600 0.004 0.000 0.987 401 E CA 0.176 56.585 56.400 0.014 0.000 0.841 401 E CB 0.019 29.715 29.700 -0.006 0.000 0.783 401 E HN 0.422 nan 8.360 nan 0.000 0.481 402 I N 0.496 121.067 120.570 0.002 0.000 2.716 402 I HA -0.114 4.059 4.170 0.006 0.000 0.259 402 I C 1.152 177.206 176.117 -0.106 0.000 1.172 402 I CA 0.565 61.870 61.300 0.008 0.000 1.478 402 I CB 0.001 38.028 38.000 0.045 0.000 1.104 402 I HN -0.027 nan 8.210 nan 0.000 0.439 403 D N 1.346 121.714 120.400 -0.053 0.000 2.183 403 D HA -0.095 4.549 4.640 0.006 0.000 0.205 403 D C 2.232 178.446 176.300 -0.143 0.000 0.962 403 D CA 0.934 54.877 54.000 -0.095 0.000 0.849 403 D CB -0.133 40.679 40.800 0.020 0.000 0.978 403 D HN 0.458 nan 8.370 nan 0.000 0.488 404 R N 0.035 120.485 120.500 -0.084 0.000 2.161 404 R HA 0.101 4.445 4.340 0.006 0.000 0.213 404 R C 1.799 178.042 176.300 -0.095 0.000 1.055 404 R CA 0.459 56.512 56.100 -0.077 0.000 0.996 404 R CB -0.231 30.051 30.300 -0.030 0.000 0.901 404 R HN -0.020 nan 8.270 nan 0.000 0.456 405 M N 1.416 120.952 119.600 -0.107 0.000 2.229 405 M HA -0.044 4.439 4.480 0.006 0.000 0.264 405 M C 1.743 177.912 176.300 -0.218 0.000 1.063 405 M CA 1.650 56.911 55.300 -0.065 0.000 1.114 405 M CB -0.925 31.716 32.600 0.068 0.000 1.387 405 M HN 0.191 nan 8.290 nan 0.000 0.420 406 T N 1.255 115.453 114.554 -0.594 0.000 2.708 406 T HA -0.102 4.251 4.350 0.006 0.000 0.266 406 T C 2.026 176.566 174.700 -0.268 0.000 1.037 406 T CA 1.225 62.875 62.100 -0.750 0.000 1.146 406 T CB -0.247 68.157 68.868 -0.773 0.000 0.865 406 T HN 0.297 nan 8.240 nan 0.000 0.435 407 L N 0.425 121.530 121.223 -0.197 0.000 2.162 407 L HA 0.015 4.358 4.340 0.006 0.000 0.205 407 L C 2.633 179.471 176.870 -0.053 0.000 1.086 407 L CA 1.003 55.775 54.840 -0.114 0.000 0.778 407 L CB -0.405 41.588 42.059 -0.109 0.000 0.928 407 L HN 0.255 nan 8.230 nan 0.000 0.446 408 T N -1.415 113.117 114.554 -0.037 0.000 3.057 408 T HA 0.144 4.498 4.350 0.006 0.000 0.254 408 T C 0.579 175.295 174.700 0.026 0.000 1.094 408 T CA 0.367 62.465 62.100 -0.003 0.000 1.088 408 T CB 0.268 69.135 68.868 -0.002 0.000 0.934 408 T HN 0.042 nan 8.240 nan 0.000 0.497 409 M N 1.506 121.134 119.600 0.047 0.000 2.326 409 M HA 0.667 5.150 4.480 0.006 0.000 0.306 409 M C -1.935 174.462 176.300 0.162 0.000 1.054 409 M CA -0.933 54.424 55.300 0.095 0.000 0.922 409 M CB 1.815 34.478 32.600 0.105 0.000 1.632 409 M HN 0.019 nan 8.290 nan 0.000 0.436 410 A N 4.642 127.549 122.820 0.144 0.000 2.258 410 A HA 0.549 4.873 4.320 0.006 0.000 0.316 410 A C -0.705 176.942 177.584 0.105 0.000 1.279 410 A CA -0.596 51.538 52.037 0.162 0.000 0.876 410 A CB 0.885 19.966 19.000 0.136 0.000 1.170 410 A HN 0.749 nan 8.150 nan 0.000 0.520 411 V N 3.550 123.508 119.914 0.074 0.000 2.655 411 V HA 0.148 4.272 4.120 0.006 0.000 0.300 411 V C 0.702 176.829 176.094 0.056 0.000 1.044 411 V CA 0.060 62.383 62.300 0.039 0.000 1.095 411 V CB 0.636 32.428 31.823 -0.053 0.000 0.952 411 V HN 1.013 nan 8.190 nan 0.000 0.485 412 E N 6.772 127.017 120.200 0.074 0.000 2.373 412 E HA 0.459 4.813 4.350 0.006 0.000 0.267 412 E C -1.175 175.499 176.600 0.125 0.000 1.032 412 E CA -0.453 55.999 56.400 0.087 0.000 0.889 412 E CB 0.833 30.574 29.700 0.068 0.000 0.984 412 E HN 0.585 nan 8.360 nan 0.000 0.425 413 L N 2.967 124.274 121.223 0.140 0.000 2.362 413 L HA 0.499 4.842 4.340 0.006 0.000 0.271 413 L C -2.069 174.831 176.870 0.050 0.000 1.002 413 L CA -2.513 52.449 54.840 0.204 0.000 0.818 413 L CB 1.401 43.675 42.059 0.358 0.000 1.298 413 L HN 0.558 nan 8.230 nan 0.000 0.420 414 P HA 0.075 nan 4.420 nan 0.000 0.274 414 P C -0.242 176.870 177.300 -0.315 0.000 1.264 414 P CA -0.345 62.595 63.100 -0.267 0.000 0.795 414 P CB 0.623 32.081 31.700 -0.403 0.000 1.064 415 D N -1.406 118.849 120.400 -0.240 0.000 2.340 415 D HA -0.049 4.595 4.640 0.006 0.000 0.220 415 D C 1.421 177.614 176.300 -0.178 0.000 1.039 415 D CA 0.542 54.450 54.000 -0.154 0.000 0.866 415 D CB -0.148 40.599 40.800 -0.089 0.000 0.913 415 D HN 0.310 nan 8.370 nan 0.000 0.523 416 S N -0.515 114.980 115.700 -0.341 0.000 2.522 416 S HA -0.005 4.468 4.470 0.006 0.000 0.227 416 S C 0.680 175.235 174.600 -0.076 0.000 0.986 416 S CA -0.099 57.955 58.200 -0.243 0.000 0.929 416 S CB -0.236 62.795 63.200 -0.282 0.000 0.769 416 S HN -0.094 nan 8.310 nan 0.000 0.529 417 F N 3.501 123.455 119.950 0.007 0.000 2.377 417 F HA 0.569 5.100 4.527 0.005 0.000 0.328 417 F C 1.124 176.939 175.800 0.025 0.000 1.094 417 F CA -2.202 55.807 58.000 0.016 0.000 1.093 417 F CB 0.419 39.426 39.000 0.010 0.000 1.214 417 F HN 0.078 nan 8.300 nan 0.000 0.518 418 S N 1.141 116.993 115.700 0.254 0.000 2.585 418 S HA 0.215 4.688 4.470 0.006 0.000 0.273 418 S C -2.079 172.608 174.600 0.145 0.000 1.339 418 S CA -0.984 57.307 58.200 0.153 0.000 1.028 418 S CB 0.937 64.210 63.200 0.123 0.000 0.906 418 S HN 0.375 nan 8.310 nan 0.000 0.528 419 P HA -0.099 nan 4.420 nan 0.000 0.223 419 P C 0.916 178.265 177.300 0.082 0.000 1.144 419 P CA 1.063 64.212 63.100 0.083 0.000 0.783 419 P CB -0.007 31.727 31.700 0.057 0.000 0.771 420 E N -0.758 119.499 120.200 0.095 0.000 2.060 420 E HA -0.071 4.282 4.350 0.006 0.000 0.189 420 E C 1.841 178.526 176.600 0.141 0.000 0.974 420 E CA 0.533 56.997 56.400 0.108 0.000 0.808 420 E CB -0.936 28.820 29.700 0.093 0.000 0.768 420 E HN 0.174 nan 8.360 nan 0.000 0.453 421 L N 1.705 123.027 121.223 0.166 0.000 2.093 421 L HA -0.041 4.302 4.340 0.006 0.000 0.208 421 L C 2.436 179.245 176.870 -0.100 0.000 1.085 421 L CA 1.493 56.304 54.840 -0.048 0.000 0.755 421 L CB -0.289 41.708 42.059 -0.104 0.000 0.904 421 L HN -0.111 nan 8.230 nan 0.000 0.435 422 R N -0.243 120.277 120.500 0.033 0.000 2.096 422 R HA -0.178 4.166 4.340 0.006 0.000 0.240 422 R C 2.490 178.808 176.300 0.030 0.000 1.139 422 R CA 1.949 58.092 56.100 0.071 0.000 0.952 422 R CB -0.412 29.965 30.300 0.129 0.000 0.854 422 R HN 0.706 nan 8.270 nan 0.000 0.436 423 S N -0.128 115.590 115.700 0.030 0.000 2.453 423 S HA -0.096 4.378 4.470 0.006 0.000 0.231 423 S C 1.836 176.438 174.600 0.003 0.000 1.005 423 S CA 0.794 59.009 58.200 0.025 0.000 0.949 423 S CB -0.204 63.019 63.200 0.038 0.000 0.774 423 S HN 0.324 nan 8.310 nan 0.000 0.510 424 L N 1.152 122.356 121.223 -0.030 0.000 2.072 424 L HA 0.250 4.593 4.340 0.006 0.000 0.205 424 L C 2.100 178.926 176.870 -0.075 0.000 1.079 424 L CA 1.451 56.257 54.840 -0.057 0.000 0.752 424 L CB -0.537 41.430 42.059 -0.153 0.000 0.906 424 L HN 0.308 nan 8.230 nan 0.000 0.436 425 L N -0.818 120.344 121.223 -0.103 0.000 2.068 425 L HA -0.092 4.252 4.340 0.006 0.000 0.204 425 L C 2.463 179.306 176.870 -0.046 0.000 1.076 425 L CA 1.156 55.943 54.840 -0.088 0.000 0.753 425 L CB -0.609 41.392 42.059 -0.096 0.000 0.910 425 L HN 0.262 nan 8.230 nan 0.000 0.439 426 E N 0.127 120.321 120.200 -0.010 0.000 2.265 426 E HA -0.154 4.199 4.350 0.006 0.000 0.196 426 E C 2.100 178.714 176.600 0.023 0.000 0.996 426 E CA 0.896 57.306 56.400 0.017 0.000 0.832 426 E CB -0.116 29.606 29.700 0.037 0.000 0.756 426 E HN 0.552 nan 8.360 nan 0.000 0.491 427 G N 0.272 109.080 108.800 0.012 0.000 2.539 427 G HA2 -0.090 3.873 3.960 0.006 0.000 0.215 427 G HA3 -0.090 3.873 3.960 0.006 0.000 0.215 427 G C 1.475 176.392 174.900 0.027 0.000 1.141 427 G CA -0.114 44.998 45.100 0.020 0.000 0.806 427 G HN 0.071 nan 8.290 nan 0.000 0.533 428 L N -0.111 121.116 121.223 0.006 0.000 2.072 428 L HA 0.195 4.539 4.340 0.006 0.000 0.205 428 L C 1.296 178.194 176.870 0.046 0.000 1.079 428 L CA 0.596 55.449 54.840 0.022 0.000 0.752 428 L CB -0.095 41.951 42.059 -0.021 0.000 0.906 428 L HN 0.105 nan 8.230 nan 0.000 0.436 429 L N 0.691 121.895 121.223 -0.032 0.000 2.865 429 L HA 0.186 4.529 4.340 0.006 0.000 0.233 429 L C -0.160 176.869 176.870 0.266 0.000 1.320 429 L CA -0.158 54.667 54.840 -0.025 0.000 1.225 429 L CB -0.141 41.751 42.059 -0.279 0.000 1.542 429 L HN 0.164 nan 8.230 nan 0.000 0.432 430 Q N 0.718 120.698 119.800 0.300 0.000 2.274 430 Q HA 0.225 4.568 4.340 0.006 0.000 0.256 430 Q C 0.538 176.688 176.000 0.250 0.000 0.927 430 Q CA -0.356 55.581 55.803 0.225 0.000 0.939 430 Q CB 1.870 30.696 28.738 0.147 0.000 1.201 430 Q HN 0.370 nan 8.270 nan 0.000 0.426 431 R N 0.460 121.057 120.500 0.163 0.000 2.339 431 R HA 0.050 4.393 4.340 0.006 0.000 0.199 431 R C 0.009 176.308 176.300 -0.001 0.000 1.018 431 R CA 0.427 56.553 56.100 0.044 0.000 1.036 431 R CB 0.249 30.558 30.300 0.017 0.000 0.899 431 R HN 0.445 nan 8.270 nan 0.000 0.473 432 D N -0.552 119.872 120.400 0.040 0.000 2.225 432 D HA 0.065 4.708 4.640 0.006 0.000 0.249 432 D C 1.214 177.537 176.300 0.038 0.000 1.052 432 D CA -0.210 53.806 54.000 0.027 0.000 0.909 432 D CB 2.067 42.888 40.800 0.036 0.000 1.186 432 D HN -0.242 nan 8.370 nan 0.000 0.431 433 V N 2.604 122.534 119.914 0.026 0.000 2.307 433 V HA -0.215 3.909 4.120 0.006 0.000 0.245 433 V C 2.016 178.144 176.094 0.057 0.000 1.045 433 V CA 1.274 63.600 62.300 0.043 0.000 1.024 433 V CB -0.439 31.405 31.823 0.035 0.000 0.651 433 V HN 0.527 nan 8.190 nan 0.000 0.449 434 N N 0.400 119.126 118.700 0.044 0.000 2.106 434 N HA -0.120 4.623 4.740 0.006 0.000 0.188 434 N C 1.977 177.512 175.510 0.041 0.000 1.029 434 N CA 1.180 54.255 53.050 0.041 0.000 0.848 434 N CB -0.177 38.329 38.487 0.032 0.000 1.007 434 N HN 0.421 nan 8.380 nan 0.000 0.423 435 R N 1.315 121.841 120.500 0.044 0.000 2.307 435 R HA 0.025 4.368 4.340 0.006 0.000 0.199 435 R C 0.812 177.140 176.300 0.047 0.000 1.000 435 R CA 0.051 56.176 56.100 0.042 0.000 1.023 435 R CB 0.133 30.459 30.300 0.043 0.000 0.908 435 R HN 0.331 nan 8.270 nan 0.000 0.473 436 R N 0.283 120.821 120.500 0.064 0.000 2.549 436 R HA 0.244 4.588 4.340 0.006 0.000 0.267 436 R C -0.420 175.889 176.300 0.014 0.000 1.045 436 R CA -0.587 55.556 56.100 0.071 0.000 1.115 436 R CB 0.572 30.960 30.300 0.147 0.000 1.121 436 R HN -0.113 nan 8.270 nan 0.000 0.543 437 L N 1.736 122.938 121.223 -0.034 0.000 2.453 437 L HA 0.211 4.554 4.340 0.006 0.000 0.272 437 L C 1.078 177.746 176.870 -0.337 0.000 1.182 437 L CA 1.138 55.877 54.840 -0.169 0.000 0.858 437 L CB 1.046 42.986 42.059 -0.199 0.000 1.120 437 L HN 1.159 nan 8.230 nan 0.000 0.474 438 G N 1.642 110.177 108.800 -0.441 0.000 2.131 438 G HA2 -0.212 3.751 3.960 0.006 0.000 0.223 438 G HA3 -0.212 3.751 3.960 0.006 0.000 0.223 438 G C 0.276 175.162 174.900 -0.024 0.000 0.990 438 G CA -0.037 44.676 45.100 -0.645 0.000 0.671 438 G HN 0.723 nan 8.290 nan 0.000 0.521 439 C N -1.497 117.809 119.300 0.010 0.000 3.204 439 C HA 0.496 4.959 4.460 0.006 0.000 0.159 439 C C 2.316 177.351 174.990 0.075 0.000 2.514 439 C CA 0.898 59.976 59.018 0.100 0.000 1.044 439 C CB -0.899 26.901 27.740 0.100 0.000 1.400 439 C HN 0.406 nan 8.230 nan 0.000 0.704 440 L N 1.395 122.646 121.223 0.046 0.000 2.353 440 L HA 0.162 4.505 4.340 0.006 0.000 0.220 440 L C 1.280 178.172 176.870 0.037 0.000 1.133 440 L CA 1.829 56.695 54.840 0.042 0.000 0.798 440 L CB -0.824 41.253 42.059 0.031 0.000 0.922 440 L HN 0.581 nan 8.230 nan 0.000 0.445 441 G N -1.891 106.924 108.800 0.024 0.000 3.310 441 G HA2 0.156 4.119 3.960 0.006 0.000 0.176 441 G HA3 0.156 4.119 3.960 0.006 0.000 0.176 441 G C 0.801 175.716 174.900 0.024 0.000 1.307 441 G CA -0.371 44.738 45.100 0.015 0.000 0.935 441 G HN 0.032 nan 8.290 nan 0.000 0.628 442 R N -0.044 120.455 120.500 -0.002 0.000 2.293 442 R HA 0.191 4.534 4.340 0.006 0.000 0.219 442 R C 1.726 178.042 176.300 0.026 0.000 1.091 442 R CA 1.044 57.143 56.100 -0.001 0.000 1.004 442 R CB -0.304 29.973 30.300 -0.038 0.000 0.865 442 R HN 0.872 nan 8.270 nan 0.000 0.469 443 G N -0.130 108.689 108.800 0.032 0.000 2.650 443 G HA2 -0.440 3.523 3.960 0.006 0.000 0.264 443 G HA3 -0.440 3.523 3.960 0.006 0.000 0.264 443 G C 0.983 175.919 174.900 0.060 0.000 1.263 443 G CA 0.262 45.439 45.100 0.128 0.000 0.960 443 G HN 0.323 nan 8.290 nan 0.000 0.548 444 A N -0.331 122.614 122.820 0.210 0.000 1.997 444 A HA -0.150 4.174 4.320 0.006 0.000 0.221 444 A C 2.330 179.815 177.584 -0.166 0.000 1.172 444 A CA 2.921 55.057 52.037 0.165 0.000 0.645 444 A CB -0.524 18.548 19.000 0.120 0.000 0.813 444 A HN 0.844 nan 8.150 nan 0.000 0.454 445 Q N -1.016 118.675 119.800 -0.182 0.000 2.212 445 Q HA -0.108 4.236 4.340 0.006 0.000 0.199 445 Q C 1.857 177.694 176.000 -0.272 0.000 0.950 445 Q CA 0.813 56.450 55.803 -0.276 0.000 0.863 445 Q CB -0.047 28.566 28.738 -0.207 0.000 0.944 445 Q HN 0.787 nan 8.270 nan 0.000 0.465 446 E N -0.408 119.656 120.200 -0.228 0.000 2.114 446 E HA -0.242 4.111 4.350 0.006 0.000 0.199 446 E C 1.942 178.403 176.600 -0.233 0.000 1.008 446 E CA 1.794 58.071 56.400 -0.206 0.000 0.810 446 E CB -0.030 29.545 29.700 -0.209 0.000 0.739 446 E HN 0.214 nan 8.360 nan 0.000 0.456 447 V N 1.547 121.235 119.914 -0.376 0.000 2.307 447 V HA -0.241 3.882 4.120 0.006 0.000 0.245 447 V C 2.046 178.027 176.094 -0.189 0.000 1.045 447 V CA 1.690 63.795 62.300 -0.324 0.000 1.024 447 V CB -0.437 31.041 31.823 -0.575 0.000 0.651 447 V HN 0.211 nan 8.190 nan 0.000 0.449 448 K N -0.035 120.117 120.400 -0.412 0.000 2.362 448 K HA -0.239 4.085 4.320 0.006 0.000 0.202 448 K C 1.833 178.429 176.600 -0.006 0.000 1.045 448 K CA 1.652 57.589 56.287 -0.583 0.000 0.936 448 K CB -0.117 31.618 32.500 -1.276 0.000 0.747 448 K HN 0.599 nan 8.250 nan 0.000 0.467 449 E N 0.158 120.374 120.200 0.027 0.000 2.340 449 E HA 0.028 4.381 4.350 0.006 0.000 0.198 449 E C 0.169 176.880 176.600 0.185 0.000 0.961 449 E CA -0.226 56.245 56.400 0.119 0.000 0.905 449 E CB 0.625 30.337 29.700 0.021 0.000 0.884 449 E HN -0.019 nan 8.360 nan 0.000 0.491 450 S N 1.918 117.733 115.700 0.191 0.000 2.575 450 S HA -0.016 4.457 4.470 0.006 0.000 0.295 450 S C -1.807 172.927 174.600 0.223 0.000 1.267 450 S CA -1.149 57.157 58.200 0.178 0.000 1.074 450 S CB 0.508 63.800 63.200 0.153 0.000 0.829 450 S HN -0.098 nan 8.310 nan 0.000 0.497 451 P HA -0.159 nan 4.420 nan 0.000 0.223 451 P C 0.788 178.127 177.300 0.066 0.000 1.138 451 P CA 0.905 64.065 63.100 0.100 0.000 0.787 451 P CB -0.050 31.690 31.700 0.067 0.000 0.752 452 F N -1.262 118.624 119.950 -0.108 0.000 2.259 452 F HA -0.031 4.499 4.527 0.005 0.000 0.298 452 F C 1.290 176.854 175.800 -0.393 0.000 1.088 452 F CA 1.179 58.984 58.000 -0.325 0.000 1.358 452 F CB -0.199 38.470 39.000 -0.552 0.000 1.040 452 F HN -0.207 nan 8.300 nan 0.000 0.505 453 F N -0.214 119.819 119.950 0.138 0.000 2.639 453 F HA 0.315 4.845 4.527 0.005 0.000 0.300 453 F C 1.913 177.740 175.800 0.045 0.000 1.109 453 F CA -0.238 57.813 58.000 0.087 0.000 1.335 453 F CB -0.657 38.574 39.000 0.385 0.000 1.014 453 F HN -0.209 nan 8.300 nan 0.000 0.537 454 R N 0.577 121.140 120.500 0.106 0.000 2.127 454 R HA -0.147 4.197 4.340 0.006 0.000 0.238 454 R C 1.983 178.294 176.300 0.018 0.000 1.134 454 R CA 1.670 57.814 56.100 0.073 0.000 0.975 454 R CB -0.124 30.186 30.300 0.017 0.000 0.865 454 R HN 0.287 nan 8.270 nan 0.000 0.447 455 S N -0.440 115.221 115.700 -0.064 0.000 2.679 455 S HA 0.209 4.682 4.470 0.006 0.000 0.233 455 S C 0.138 174.688 174.600 -0.083 0.000 0.951 455 S CA -0.508 57.635 58.200 -0.094 0.000 0.973 455 S CB -0.049 63.048 63.200 -0.171 0.000 0.778 455 S HN 0.116 nan 8.310 nan 0.000 0.477 456 L N 1.180 122.368 121.223 -0.058 0.000 2.408 456 L HA 0.528 4.871 4.340 0.006 0.000 0.268 456 L C -0.785 176.023 176.870 -0.104 0.000 0.986 456 L CA -0.824 53.965 54.840 -0.085 0.000 0.820 456 L CB 1.761 43.659 42.059 -0.268 0.000 1.303 456 L HN 0.104 nan 8.230 nan 0.000 0.411 457 D N 1.355 121.743 120.400 -0.019 0.000 2.295 457 D HA 0.048 4.692 4.640 0.006 0.000 0.248 457 D C 0.221 176.490 176.300 -0.051 0.000 1.154 457 D CA -0.081 53.922 54.000 0.004 0.000 0.857 457 D CB 1.139 41.950 40.800 0.018 0.000 1.117 457 D HN 0.431 nan 8.370 nan 0.000 0.468 458 W N 2.367 123.681 121.300 0.022 0.000 2.467 458 W HA -0.026 4.638 4.660 0.007 0.000 0.275 458 W C 2.408 178.928 176.519 0.001 0.000 1.239 458 W CA 0.037 57.384 57.345 0.004 0.000 1.266 458 W CB 0.225 29.664 29.460 -0.034 0.000 1.112 458 W HN 0.531 nan 8.180 nan 0.000 0.576 459 Q N -0.157 119.755 119.800 0.185 0.000 2.297 459 Q HA -0.156 4.188 4.340 0.006 0.000 0.204 459 Q C 2.084 178.144 176.000 0.101 0.000 0.962 459 Q CA 0.810 56.705 55.803 0.153 0.000 0.879 459 Q CB -0.164 28.626 28.738 0.087 0.000 0.947 459 Q HN 0.283 nan 8.270 nan 0.000 0.462 460 M N -0.232 119.329 119.600 -0.065 0.000 2.213 460 M HA -0.149 4.334 4.480 0.006 0.000 0.263 460 M C 2.044 178.142 176.300 -0.336 0.000 1.062 460 M CA 1.078 56.204 55.300 -0.290 0.000 1.105 460 M CB -0.236 32.025 32.600 -0.565 0.000 1.385 460 M HN 0.119 nan 8.290 nan 0.000 0.417 461 V N -1.438 118.368 119.914 -0.180 0.000 2.591 461 V HA -0.196 3.927 4.120 0.006 0.000 0.249 461 V C 2.071 178.292 176.094 0.211 0.000 1.053 461 V CA 1.088 63.394 62.300 0.010 0.000 1.068 461 V CB -1.175 30.675 31.823 0.046 0.000 0.689 461 V HN 0.252 nan 8.190 nan 0.000 0.462 462 F N 0.795 120.810 119.950 0.108 0.000 2.216 462 F HA -0.047 4.484 4.527 0.007 0.000 0.300 462 F C 1.883 177.741 175.800 0.098 0.000 1.085 462 F CA 1.398 59.519 58.000 0.201 0.000 1.326 462 F CB -0.071 39.017 39.000 0.146 0.000 1.027 462 F HN 0.032 nan 8.300 nan 0.000 0.497 463 L N -0.444 120.778 121.223 -0.002 0.000 2.492 463 L HA -0.039 4.305 4.340 0.006 0.000 0.223 463 L C 0.792 177.554 176.870 -0.180 0.000 1.132 463 L CA 0.616 55.370 54.840 -0.142 0.000 0.850 463 L CB -0.597 41.415 42.059 -0.078 0.000 0.966 463 L HN 0.206 nan 8.230 nan 0.000 0.454 464 Q N -0.494 119.240 119.800 -0.110 0.000 2.494 464 Q HA -0.254 4.089 4.340 0.006 0.000 0.272 464 Q C 0.930 176.910 176.000 -0.032 0.000 1.145 464 Q CA 0.498 56.222 55.803 -0.132 0.000 0.943 464 Q CB -1.190 27.203 28.738 -0.575 0.000 1.338 464 Q HN 0.366 nan 8.270 nan 0.000 0.492 465 K N -0.252 120.094 120.400 -0.089 0.000 2.525 465 K HA -0.013 4.310 4.320 0.006 0.000 0.192 465 K C -0.039 176.553 176.600 -0.014 0.000 1.029 465 K CA 0.376 56.609 56.287 -0.090 0.000 1.029 465 K CB 0.241 32.647 32.500 -0.156 0.000 0.814 465 K HN 0.123 nan 8.250 nan 0.000 0.503 466 Y N 1.256 121.603 120.300 0.079 0.000 2.316 466 Y HA 0.194 4.747 4.550 0.004 0.000 0.324 466 Y C -1.960 173.846 175.900 -0.155 0.000 1.267 466 Y CA -3.473 54.614 58.100 -0.022 0.000 1.311 466 Y CB 0.025 38.491 38.460 0.009 0.000 1.267 466 Y HN 0.010 nan 8.280 nan 0.000 0.516 467 P HA 0.286 nan 4.420 nan 0.000 0.288 467 P C -2.739 174.100 177.300 -0.769 0.000 1.267 467 P CA -1.851 61.051 63.100 -0.329 0.000 0.815 467 P CB 0.772 32.337 31.700 -0.225 0.000 0.989 468 P HA 0.282 nan 4.420 nan 0.000 0.286 468 P C -1.817 175.148 177.300 -0.558 0.000 1.261 468 P CA -1.905 60.590 63.100 -1.008 0.000 0.821 468 P CB 0.162 31.498 31.700 -0.607 0.000 1.013 469 P HA -0.036 nan 4.420 nan 0.000 0.216 469 P C 0.104 177.333 177.300 -0.119 0.000 1.153 469 P CA 1.144 64.071 63.100 -0.288 0.000 0.848 469 P CB 0.317 31.799 31.700 -0.363 0.000 0.787 470 L N 0.418 121.605 121.223 -0.060 0.000 2.388 470 L HA 0.381 4.724 4.340 0.006 0.000 0.267 470 L C -0.445 176.419 176.870 -0.011 0.000 0.995 470 L CA -0.980 53.874 54.840 0.024 0.000 0.864 470 L CB 0.678 42.799 42.059 0.104 0.000 1.216 470 L HN -0.205 nan 8.230 nan 0.000 0.430 471 I N 7.036 127.606 120.570 0.000 0.000 2.363 471 I HA 0.257 4.431 4.170 0.006 0.000 0.292 471 I C -1.741 174.402 176.117 0.044 0.000 1.075 471 I CA -1.458 59.846 61.300 0.007 0.000 1.333 471 I CB 0.450 38.457 38.000 0.011 0.000 1.415 471 I HN 0.460 nan 8.210 nan 0.000 0.502 472 P HA 0.337 nan 4.420 nan 0.000 0.281 472 P C -2.433 174.951 177.300 0.139 0.000 1.252 472 P CA -1.239 61.956 63.100 0.159 0.000 0.778 472 P CB 0.153 31.966 31.700 0.189 0.000 0.895 473 P HA 0.165 nan 4.420 nan 0.000 0.274 473 P C -0.033 177.318 177.300 0.085 0.000 1.264 473 P CA -0.272 62.892 63.100 0.106 0.000 0.795 473 P CB 0.319 32.084 31.700 0.109 0.000 1.064 474 R N 0.754 121.289 120.500 0.058 0.000 2.853 474 R HA 0.280 4.623 4.340 0.006 0.000 0.238 474 R C 0.985 177.310 176.300 0.041 0.000 1.538 474 R CA -0.294 55.830 56.100 0.039 0.000 1.166 474 R CB -1.498 28.818 30.300 0.027 0.000 1.201 474 R HN 0.609 nan 8.270 nan 0.000 0.606 494 K N 1.230 121.637 120.400 0.010 0.000 2.259 494 K HA 0.702 5.025 4.320 0.006 0.000 0.252 494 K C 0.637 177.242 176.600 0.008 0.000 0.936 494 K CA -0.865 55.428 56.287 0.010 0.000 0.810 494 K CB 2.268 34.776 32.500 0.014 0.000 1.143 494 K HN 0.560 nan 8.250 nan 0.000 0.427 495 G N 3.062 111.866 108.800 0.006 0.000 4.464 495 G HA2 0.343 4.306 3.960 0.006 0.000 0.297 495 G HA3 0.343 4.306 3.960 0.006 0.000 0.297 495 G C -0.028 174.874 174.900 0.004 0.000 1.342 495 G CA -0.305 44.797 45.100 0.005 0.000 1.335 495 G HN 0.430 nan 8.290 nan 0.000 0.609 496 I N -0.124 120.448 120.570 0.004 0.000 2.437 496 I HA 0.407 4.580 4.170 0.006 0.000 0.298 496 I C 0.376 176.493 176.117 -0.001 0.000 0.984 496 I CA -0.819 60.483 61.300 0.002 0.000 1.214 496 I CB 1.897 39.899 38.000 0.004 0.000 1.365 496 I HN -0.039 nan 8.210 nan 0.000 0.469 497 K N 3.693 124.092 120.400 -0.003 0.000 2.526 497 K HA 0.711 5.034 4.320 0.006 0.000 0.256 497 K C -1.259 175.336 176.600 -0.008 0.000 1.035 497 K CA -0.870 55.414 56.287 -0.005 0.000 1.011 497 K CB 0.989 33.487 32.500 -0.005 0.000 1.343 497 K HN 0.255 nan 8.250 nan 0.000 0.510 498 L N 1.670 122.887 121.223 -0.010 0.000 2.482 498 L HA 0.350 4.694 4.340 0.006 0.000 0.269 498 L C -0.997 175.864 176.870 -0.014 0.000 0.967 498 L CA -0.279 54.553 54.840 -0.013 0.000 0.851 498 L CB 1.239 43.290 42.059 -0.014 0.000 1.242 498 L HN 0.539 nan 8.230 nan 0.000 0.404 499 L N 2.812 124.024 121.223 -0.019 0.000 2.470 499 L HA 0.210 4.553 4.340 0.006 0.000 0.243 499 L C 0.738 177.594 176.870 -0.024 0.000 1.227 499 L CA -0.143 54.685 54.840 -0.021 0.000 0.824 499 L CB 0.602 42.646 42.059 -0.026 0.000 1.175 499 L HN 0.679 nan 8.230 nan 0.000 0.503 500 D N -0.896 119.490 120.400 -0.024 0.000 2.213 500 D HA -0.070 4.573 4.640 0.006 0.000 0.205 500 D C 2.034 178.309 176.300 -0.041 0.000 0.961 500 D CA 0.905 54.891 54.000 -0.025 0.000 0.853 500 D CB 0.458 41.249 40.800 -0.016 0.000 0.967 500 D HN 0.388 nan 8.370 nan 0.000 0.496 501 S N 0.574 116.247 115.700 -0.046 0.000 2.447 501 S HA -0.098 4.375 4.470 0.006 0.000 0.233 501 S C 1.250 175.791 174.600 -0.099 0.000 1.006 501 S CA 0.797 58.960 58.200 -0.062 0.000 0.957 501 S CB 0.108 63.277 63.200 -0.052 0.000 0.773 501 S HN 0.259 nan 8.310 nan 0.000 0.507 502 D N 0.302 120.643 120.400 -0.099 0.000 2.240 502 D HA 0.011 4.654 4.640 0.006 0.000 0.206 502 D C 1.926 178.103 176.300 -0.205 0.000 0.963 502 D CA 0.429 54.337 54.000 -0.153 0.000 0.863 502 D CB -0.165 40.583 40.800 -0.086 0.000 0.973 502 D HN 0.236 nan 8.370 nan 0.000 0.501 503 Q N 0.944 120.684 119.800 -0.100 0.000 2.226 503 Q HA -0.077 4.266 4.340 0.006 0.000 0.204 503 Q C 1.242 177.185 176.000 -0.096 0.000 0.975 503 Q CA 0.781 56.548 55.803 -0.059 0.000 0.866 503 Q CB -0.047 28.677 28.738 -0.022 0.000 0.915 503 Q HN 0.472 nan 8.270 nan 0.000 0.440 504 E N -0.154 119.978 120.200 -0.115 0.000 2.445 504 E HA 0.051 4.405 4.350 0.006 0.000 0.189 504 E C 1.022 177.526 176.600 -0.161 0.000 1.069 504 E CA -0.214 56.132 56.400 -0.090 0.000 0.871 504 E CB 0.202 29.868 29.700 -0.057 0.000 0.991 504 E HN 0.224 nan 8.360 nan 0.000 0.481 505 L N -0.119 120.892 121.223 -0.353 0.000 2.592 505 L HA 0.017 4.360 4.340 0.006 0.000 0.227 505 L C 0.472 177.027 176.870 -0.525 0.000 1.127 505 L CA 0.322 54.869 54.840 -0.488 0.000 0.884 505 L CB 0.323 41.959 42.059 -0.706 0.000 1.065 505 L HN 0.228 nan 8.230 nan 0.000 0.457 506 Y N -0.913 119.310 120.300 -0.128 0.000 2.641 506 Y HA 0.215 4.769 4.550 0.006 0.000 0.248 506 Y C 1.088 177.028 175.900 0.065 0.000 1.170 506 Y CA -0.960 57.029 58.100 -0.185 0.000 1.201 506 Y CB 0.001 38.121 38.460 -0.567 0.000 1.232 506 Y HN 0.059 nan 8.280 nan 0.000 0.537 507 R N 0.359 120.987 120.500 0.214 0.000 2.528 507 R HA 0.227 4.570 4.340 0.006 0.000 0.271 507 R C -0.266 176.167 176.300 0.222 0.000 1.056 507 R CA -0.121 56.124 56.100 0.243 0.000 1.117 507 R CB 0.181 30.568 30.300 0.145 0.000 1.085 507 R HN 0.337 nan 8.270 nan 0.000 0.530 508 N N 0.066 118.894 118.700 0.214 0.000 2.780 508 N HA -0.219 4.524 4.740 0.006 0.000 0.248 508 N C -0.731 174.951 175.510 0.287 0.000 1.102 508 N CA 1.122 54.286 53.050 0.190 0.000 0.697 508 N CB -1.060 37.504 38.487 0.129 0.000 1.028 508 N HN 0.727 nan 8.380 nan 0.000 0.554 509 F N -0.296 119.761 119.950 0.178 0.000 2.577 509 F HA 0.414 4.944 4.527 0.005 0.000 0.282 509 F C -1.951 173.975 175.800 0.211 0.000 0.957 509 F CA -0.140 57.988 58.000 0.214 0.000 1.168 509 F CB 0.326 39.488 39.000 0.270 0.000 0.958 509 F HN -0.238 nan 8.300 nan 0.000 0.702 510 P HA 0.167 nan 4.420 nan 0.000 0.261 510 P C -1.186 176.140 177.300 0.043 0.000 1.173 510 P CA 0.862 64.062 63.100 0.166 0.000 0.760 510 P CB 1.016 32.815 31.700 0.165 0.000 0.783 511 L N 3.526 124.763 121.223 0.023 0.000 2.506 511 L HA 0.518 4.862 4.340 0.006 0.000 0.257 511 L C -0.916 175.996 176.870 0.071 0.000 0.964 511 L CA 0.071 54.922 54.840 0.018 0.000 0.836 511 L CB 2.309 44.339 42.059 -0.048 0.000 1.384 511 L HN 0.282 nan 8.230 nan 0.000 0.410 512 T N 3.804 118.375 114.554 0.029 0.000 3.089 512 T HA 0.500 4.854 4.350 0.006 0.000 0.340 512 T C -0.239 174.422 174.700 -0.065 0.000 1.008 512 T CA -0.176 61.918 62.100 -0.010 0.000 1.096 512 T CB 0.150 69.005 68.868 -0.021 0.000 1.024 512 T HN 0.398 nan 8.240 nan 0.000 0.477 513 I N 2.512 123.025 120.570 -0.095 0.000 2.372 513 I HA 0.102 4.275 4.170 0.006 0.000 0.298 513 I C 1.992 178.106 176.117 -0.005 0.000 1.137 513 I CA -0.350 60.925 61.300 -0.042 0.000 1.314 513 I CB 0.353 38.333 38.000 -0.035 0.000 1.444 513 I HN 0.679 nan 8.210 nan 0.000 0.541 514 S N 4.903 120.618 115.700 0.025 0.000 2.420 514 S HA -0.375 4.098 4.470 0.006 0.000 0.278 514 S C 1.978 176.667 174.600 0.148 0.000 1.111 514 S CA 2.572 60.823 58.200 0.086 0.000 1.315 514 S CB -0.268 62.978 63.200 0.077 0.000 1.226 514 S HN 0.817 nan 8.310 nan 0.000 0.444 515 E N 0.305 120.564 120.200 0.099 0.000 2.086 515 E HA -0.291 4.063 4.350 0.006 0.000 0.205 515 E C 2.436 179.085 176.600 0.082 0.000 1.027 515 E CA 1.623 58.075 56.400 0.086 0.000 0.830 515 E CB -0.237 29.497 29.700 0.058 0.000 0.751 515 E HN 0.387 nan 8.360 nan 0.000 0.456 516 R N -0.167 120.367 120.500 0.056 0.000 2.096 516 R HA -0.198 4.145 4.340 0.006 0.000 0.240 516 R C 1.974 178.317 176.300 0.073 0.000 1.139 516 R CA 1.682 57.803 56.100 0.034 0.000 0.952 516 R CB -1.250 29.031 30.300 -0.033 0.000 0.854 516 R HN 0.462 nan 8.270 nan 0.000 0.436 517 W N 2.309 123.541 121.300 -0.112 0.000 2.355 517 W HA -0.198 4.466 4.660 0.006 0.000 0.309 517 W C 2.163 178.693 176.519 0.018 0.000 1.206 517 W CA 1.504 58.821 57.345 -0.046 0.000 1.284 517 W CB -0.260 29.187 29.460 -0.022 0.000 1.145 517 W HN 0.162 nan 8.180 nan 0.000 0.502 518 Q N -0.052 119.807 119.800 0.098 0.000 2.014 518 Q HA -0.354 3.989 4.340 0.006 0.000 0.207 518 Q C 2.102 177.940 176.000 -0.269 0.000 0.993 518 Q CA 2.173 57.883 55.803 -0.155 0.000 0.850 518 Q CB -0.873 27.877 28.738 0.021 0.000 0.916 518 Q HN 0.316 nan 8.270 nan 0.000 0.417 519 Q N 1.189 120.908 119.800 -0.135 0.000 1.978 519 Q HA -0.278 4.066 4.340 0.006 0.000 0.211 519 Q C 1.810 177.719 176.000 -0.151 0.000 1.013 519 Q CA 2.348 58.077 55.803 -0.124 0.000 0.869 519 Q CB -0.434 28.275 28.738 -0.049 0.000 0.953 519 Q HN 0.401 nan 8.270 nan 0.000 0.415 520 E N -1.194 118.945 120.200 -0.102 0.000 2.095 520 E HA -0.273 4.080 4.350 0.006 0.000 0.212 520 E C 1.815 178.318 176.600 -0.161 0.000 1.044 520 E CA 2.364 58.730 56.400 -0.057 0.000 0.857 520 E CB -0.178 29.559 29.700 0.061 0.000 0.764 520 E HN 0.314 nan 8.360 nan 0.000 0.462 521 V N 1.077 120.770 119.914 -0.369 0.000 2.287 521 V HA -0.298 3.825 4.120 0.006 0.000 0.248 521 V C 2.486 178.460 176.094 -0.200 0.000 1.053 521 V CA 2.092 64.179 62.300 -0.356 0.000 1.027 521 V CB -1.013 30.428 31.823 -0.637 0.000 0.646 521 V HN 0.472 nan 8.190 nan 0.000 0.447 522 A N -0.187 122.464 122.820 -0.282 0.000 2.121 522 A HA -0.162 4.162 4.320 0.006 0.000 0.218 522 A C 2.084 179.580 177.584 -0.146 0.000 1.154 522 A CA 1.459 53.328 52.037 -0.281 0.000 0.679 522 A CB -0.412 18.326 19.000 -0.437 0.000 0.795 522 A HN 0.730 nan 8.150 nan 0.000 0.458 523 E N -0.748 119.388 120.200 -0.107 0.000 2.318 523 E HA -0.044 4.309 4.350 0.006 0.000 0.193 523 E C 1.653 178.235 176.600 -0.030 0.000 0.998 523 E CA 1.302 57.663 56.400 -0.064 0.000 0.859 523 E CB 0.010 29.678 29.700 -0.054 0.000 0.812 523 E HN 0.777 nan 8.360 nan 0.000 0.492 524 T N -2.060 112.484 114.554 -0.017 0.000 3.232 524 T HA 0.052 4.405 4.350 0.006 0.000 0.259 524 T C 1.907 176.627 174.700 0.033 0.000 0.987 524 T CA 0.501 62.608 62.100 0.011 0.000 1.096 524 T CB -0.107 68.774 68.868 0.021 0.000 1.131 524 T HN 0.091 nan 8.240 nan 0.000 0.445 525 V N -1.483 118.458 119.914 0.044 0.000 3.572 525 V HA 0.421 4.545 4.120 0.006 0.000 0.260 525 V C 2.042 178.195 176.094 0.097 0.000 1.324 525 V CA -0.200 62.143 62.300 0.072 0.000 1.068 525 V CB -1.162 30.714 31.823 0.088 0.000 0.837 525 V HN 0.268 nan 8.190 nan 0.000 0.450 526 F N 2.853 122.738 119.950 -0.108 0.000 2.082 526 F HA -0.292 4.238 4.527 0.005 0.000 0.298 526 F C 2.122 177.907 175.800 -0.025 0.000 1.091 526 F CA 2.669 60.547 58.000 -0.203 0.000 1.230 526 F CB -0.216 38.556 39.000 -0.381 0.000 0.983 526 F HN 0.184 nan 8.300 nan 0.000 0.485 527 D N -0.711 119.790 120.400 0.168 0.000 2.077 527 D HA -0.157 4.486 4.640 0.006 0.000 0.196 527 D C 2.324 178.656 176.300 0.053 0.000 0.986 527 D CA 2.452 56.523 54.000 0.118 0.000 0.829 527 D CB -0.946 39.918 40.800 0.107 0.000 0.983 527 D HN 0.429 nan 8.370 nan 0.000 0.453 528 T N -1.124 113.460 114.554 0.051 0.000 3.118 528 T HA 0.003 4.356 4.350 0.006 0.000 0.260 528 T C 1.725 176.447 174.700 0.036 0.000 1.139 528 T CA 0.203 62.327 62.100 0.040 0.000 1.085 528 T CB 0.046 68.935 68.868 0.036 0.000 0.934 528 T HN -0.005 nan 8.240 nan 0.000 0.518 529 I N 1.354 121.953 120.570 0.050 0.000 3.228 529 I HA 0.181 4.354 4.170 0.006 0.000 0.279 529 I C 1.885 178.024 176.117 0.036 0.000 1.221 529 I CA 0.137 61.472 61.300 0.058 0.000 1.458 529 I CB -1.099 36.992 38.000 0.152 0.000 1.105 529 I HN 0.183 nan 8.210 nan 0.000 0.445 530 N N 1.933 120.647 118.700 0.024 0.000 2.106 530 N HA -0.069 4.675 4.740 0.006 0.000 0.188 530 N C 1.917 177.445 175.510 0.029 0.000 1.029 530 N CA 1.781 54.842 53.050 0.020 0.000 0.848 530 N CB -0.128 38.349 38.487 -0.017 0.000 1.007 530 N HN 0.315 nan 8.380 nan 0.000 0.423 531 A N 0.419 123.258 122.820 0.032 0.000 2.016 531 A HA -0.069 4.254 4.320 0.006 0.000 0.217 531 A C 2.082 179.679 177.584 0.021 0.000 1.162 531 A CA 1.309 53.367 52.037 0.035 0.000 0.662 531 A CB -0.385 18.638 19.000 0.037 0.000 0.812 531 A HN 0.464 nan 8.150 nan 0.000 0.450 532 E N 0.295 120.501 120.200 0.010 0.000 2.072 532 E HA -0.154 4.199 4.350 0.006 0.000 0.191 532 E C 1.850 178.440 176.600 -0.016 0.000 0.985 532 E CA 1.928 58.326 56.400 -0.003 0.000 0.801 532 E CB -0.304 29.392 29.700 -0.008 0.000 0.750 532 E HN 0.568 nan 8.360 nan 0.000 0.452 533 T N -0.663 113.873 114.554 -0.029 0.000 2.904 533 T HA -0.076 4.278 4.350 0.006 0.000 0.267 533 T C 1.388 176.077 174.700 -0.018 0.000 1.059 533 T CA 0.916 62.988 62.100 -0.047 0.000 1.137 533 T CB -0.258 68.552 68.868 -0.096 0.000 0.879 533 T HN 0.071 nan 8.240 nan 0.000 0.467 534 D N 1.196 121.601 120.400 0.007 0.000 2.218 534 D HA -0.050 4.593 4.640 0.006 0.000 0.204 534 D C 2.212 178.527 176.300 0.024 0.000 0.976 534 D CA 0.729 54.747 54.000 0.030 0.000 0.853 534 D CB -0.181 40.651 40.800 0.054 0.000 0.939 534 D HN 0.396 nan 8.370 nan 0.000 0.481 535 R N -0.081 120.427 120.500 0.014 0.000 2.093 535 R HA 0.071 4.414 4.340 0.006 0.000 0.224 535 R C 2.349 178.650 176.300 0.001 0.000 1.101 535 R CA 0.351 56.458 56.100 0.010 0.000 0.979 535 R CB -0.120 30.185 30.300 0.007 0.000 0.877 535 R HN 0.135 nan 8.270 nan 0.000 0.441 536 L N 0.348 121.565 121.223 -0.011 0.000 2.291 536 L HA -0.067 4.276 4.340 0.006 0.000 0.214 536 L C 1.488 178.349 176.870 -0.015 0.000 1.120 536 L CA 1.176 56.005 54.840 -0.019 0.000 0.799 536 L CB 0.051 42.088 42.059 -0.037 0.000 0.925 536 L HN 0.253 nan 8.230 nan 0.000 0.446 537 E N -0.804 119.392 120.200 -0.007 0.000 2.340 537 E HA 0.007 4.360 4.350 0.006 0.000 0.194 537 E C 2.087 178.695 176.600 0.013 0.000 0.996 537 E CA 0.631 57.031 56.400 0.001 0.000 0.869 537 E CB 0.133 29.837 29.700 0.005 0.000 0.835 537 E HN 0.424 nan 8.360 nan 0.000 0.493 538 A N 0.995 123.825 122.820 0.017 0.000 2.072 538 A HA -0.014 4.309 4.320 0.006 0.000 0.216 538 A C 1.926 179.520 177.584 0.017 0.000 1.156 538 A CA 0.550 52.601 52.037 0.024 0.000 0.701 538 A CB -0.018 19.000 19.000 0.031 0.000 0.816 538 A HN 0.001 nan 8.150 nan 0.000 0.458 539 R N -0.877 119.628 120.500 0.008 0.000 2.200 539 R HA 0.032 4.375 4.340 0.006 0.000 0.208 539 R C 1.856 178.156 176.300 -0.002 0.000 1.033 539 R CA 1.138 57.240 56.100 0.003 0.000 1.000 539 R CB -0.035 30.264 30.300 -0.002 0.000 0.906 539 R HN 0.422 nan 8.270 nan 0.000 0.462 540 K N 0.887 121.285 120.400 -0.004 0.000 2.305 540 K HA -0.042 4.282 4.320 0.006 0.000 0.199 540 K C 1.858 178.451 176.600 -0.012 0.000 1.047 540 K CA 0.862 57.144 56.287 -0.008 0.000 0.976 540 K CB 0.285 32.780 32.500 -0.009 0.000 0.765 540 K HN -0.127 nan 8.250 nan 0.000 0.474 541 K N -0.743 119.654 120.400 -0.005 0.000 2.243 541 K HA -0.017 4.306 4.320 0.006 0.000 0.201 541 K C 1.336 177.931 176.600 -0.009 0.000 1.051 541 K CA 1.127 57.406 56.287 -0.012 0.000 0.970 541 K CB 0.284 32.793 32.500 0.015 0.000 0.755 541 K HN 0.026 nan 8.250 nan 0.000 0.465 542 T N 0.990 115.546 114.554 0.004 0.000 2.896 542 T HA 0.015 4.369 4.350 0.006 0.000 0.263 542 T C 0.775 175.477 174.700 0.002 0.000 1.050 542 T CA 0.951 63.057 62.100 0.010 0.000 1.140 542 T CB 0.114 68.991 68.868 0.015 0.000 0.877 542 T HN 0.185 nan 8.240 nan 0.000 0.457 543 K N 1.620 122.018 120.400 -0.005 0.000 2.790 543 K HA 0.192 4.516 4.320 0.006 0.000 0.229 543 K C 0.427 177.015 176.600 -0.020 0.000 1.040 543 K CA 0.064 56.346 56.287 -0.008 0.000 1.211 543 K CB 0.161 32.657 32.500 -0.007 0.000 1.002 543 K HN 0.061 nan 8.250 nan 0.000 0.479 544 N N -0.476 118.204 118.700 -0.034 0.000 1.893 544 N HA -0.011 4.732 4.740 0.006 0.000 0.232 544 N C 0.378 175.829 175.510 -0.097 0.000 1.392 544 N CA 0.087 53.088 53.050 -0.081 0.000 0.801 544 N CB 0.504 38.918 38.487 -0.122 0.000 1.084 544 N HN -0.037 nan 8.380 nan 0.000 0.479 545 K N 0.674 121.062 120.400 -0.020 0.000 2.437 545 K HA 0.244 4.567 4.320 0.006 0.000 0.198 545 K C 0.406 177.049 176.600 0.072 0.000 1.024 545 K CA 0.550 56.878 56.287 0.068 0.000 1.148 545 K CB 0.357 32.907 32.500 0.083 0.000 0.860 545 K HN 0.156 nan 8.250 nan 0.000 0.515 546 Q N -0.120 119.704 119.800 0.041 0.000 2.040 546 Q HA 0.217 4.561 4.340 0.006 0.000 0.212 546 Q C -0.592 175.426 176.000 0.030 0.000 0.766 546 Q CA -0.106 55.720 55.803 0.039 0.000 0.967 546 Q CB 1.107 29.862 28.738 0.029 0.000 1.202 546 Q HN 0.154 nan 8.270 nan 0.000 0.446 547 L N 1.127 122.362 121.223 0.020 0.000 2.475 547 L HA 0.463 4.806 4.340 0.006 0.000 0.253 547 L C 0.671 177.554 176.870 0.022 0.000 1.137 547 L CA -0.383 54.465 54.840 0.013 0.000 1.058 547 L CB -0.156 41.902 42.059 -0.001 0.000 1.382 547 L HN 0.205 nan 8.230 nan 0.000 0.416 548 G N 1.042 109.868 108.800 0.044 0.000 2.451 548 G HA2 -0.364 3.599 3.960 0.006 0.000 0.296 548 G HA3 -0.364 3.599 3.960 0.006 0.000 0.296 548 G C 0.516 175.481 174.900 0.108 0.000 0.922 548 G CA 0.726 45.863 45.100 0.063 0.000 1.074 548 G HN 0.995 nan 8.290 nan 0.000 0.509 549 H N -0.326 118.757 119.070 0.022 0.000 1.771 549 H HA -0.172 4.388 4.556 0.005 0.000 0.296 549 H C 0.973 176.322 175.328 0.035 0.000 0.739 549 H CA 0.903 56.969 56.048 0.030 0.000 0.999 549 H CB 0.147 29.927 29.762 0.030 0.000 1.440 549 H HN 0.551 nan 8.280 nan 0.000 0.235 550 E N 4.400 124.559 120.200 -0.069 0.000 3.010 550 E HA -0.230 4.123 4.350 0.006 0.000 0.221 550 E C 0.277 176.938 176.600 0.102 0.000 1.162 550 E CA 0.447 56.842 56.400 -0.008 0.000 0.916 550 E CB -0.019 29.651 29.700 -0.051 0.000 1.029 550 E HN 0.561 nan 8.360 nan 0.000 0.509 551 E N 3.149 123.429 120.200 0.133 0.000 1.855 551 E HA -0.092 4.262 4.350 0.006 0.000 0.259 551 E C -0.589 176.117 176.600 0.176 0.000 1.229 551 E CA -0.042 56.458 56.400 0.166 0.000 1.042 551 E CB -0.281 29.488 29.700 0.116 0.000 1.079 551 E HN 0.231 nan 8.360 nan 0.000 0.434 552 D N 1.930 122.445 120.400 0.191 0.000 2.472 552 D HA -0.161 4.482 4.640 0.006 0.000 0.248 552 D C 0.332 176.767 176.300 0.225 0.000 1.174 552 D CA 0.529 54.647 54.000 0.196 0.000 0.883 552 D CB 0.216 41.103 40.800 0.146 0.000 1.149 552 D HN 0.542 nan 8.370 nan 0.000 0.488 553 Y N 2.792 123.158 120.300 0.109 0.000 2.500 553 Y HA 0.438 4.991 4.550 0.005 0.000 0.246 553 Y C 1.235 177.212 175.900 0.127 0.000 1.146 553 Y CA 0.023 58.196 58.100 0.122 0.000 1.230 553 Y CB 0.530 39.072 38.460 0.137 0.000 1.214 553 Y HN 0.365 nan 8.280 nan 0.000 0.526 554 A N 0.689 123.528 122.820 0.032 0.000 1.984 554 A HA 0.144 4.467 4.320 0.006 0.000 0.214 554 A C 1.583 179.019 177.584 -0.246 0.000 1.173 554 A CA 0.565 52.400 52.037 -0.337 0.000 0.673 554 A CB -0.522 17.912 19.000 -0.943 0.000 0.830 554 A HN 0.496 nan 8.150 nan 0.000 0.453 555 L N -0.334 120.810 121.223 -0.132 0.000 2.645 555 L HA 0.089 4.432 4.340 0.006 0.000 0.235 555 L C 1.919 178.765 176.870 -0.041 0.000 1.150 555 L CA 0.459 55.256 54.840 -0.072 0.000 0.911 555 L CB 0.080 42.123 42.059 -0.027 0.000 1.077 555 L HN 0.491 nan 8.230 nan 0.000 0.438 556 G N -0.987 107.783 108.800 -0.049 0.000 2.759 556 G HA2 0.082 4.046 3.960 0.006 0.000 0.208 556 G HA3 0.082 4.046 3.960 0.006 0.000 0.208 556 G C 0.531 175.405 174.900 -0.043 0.000 1.076 556 G CA -0.183 44.896 45.100 -0.036 0.000 0.789 556 G HN 0.108 nan 8.290 nan 0.000 0.546 557 K N 0.855 121.231 120.400 -0.040 0.000 2.238 557 K HA 0.361 4.684 4.320 0.006 0.000 0.239 557 K C -0.806 175.815 176.600 0.035 0.000 0.987 557 K CA -0.616 55.677 56.287 0.010 0.000 0.857 557 K CB 1.470 34.021 32.500 0.085 0.000 1.154 557 K HN 0.058 nan 8.250 nan 0.000 0.439 558 D N 0.636 121.067 120.400 0.052 0.000 2.848 558 D HA -0.006 4.638 4.640 0.006 0.000 0.232 558 D C 0.297 176.648 176.300 0.085 0.000 1.107 558 D CA -0.313 53.713 54.000 0.044 0.000 1.020 558 D CB -0.728 40.089 40.800 0.028 0.000 1.148 558 D HN 0.242 nan 8.370 nan 0.000 0.453 559 C N -0.029 119.297 119.300 0.044 0.000 2.776 559 C HA 0.294 4.758 4.460 0.006 0.000 0.300 559 C C 1.555 176.481 174.990 -0.107 0.000 1.462 559 C CA -0.397 58.561 59.018 -0.100 0.000 2.246 559 C CB -0.166 27.364 27.740 -0.351 0.000 2.203 559 C HN 0.699 nan 8.230 nan 0.000 0.701 560 I N -0.023 120.444 120.570 -0.172 0.000 4.197 560 I HA 0.341 4.514 4.170 0.006 0.000 0.307 560 I C 0.346 176.356 176.117 -0.178 0.000 1.236 560 I CA 0.242 61.464 61.300 -0.131 0.000 1.321 560 I CB 0.217 38.166 38.000 -0.086 0.000 1.309 560 I HN 0.669 nan 8.210 nan 0.000 0.450 561 M N -0.325 119.146 119.600 -0.214 0.000 2.660 561 M HA 0.212 4.695 4.480 0.006 0.000 0.281 561 M C -2.150 174.056 176.300 -0.157 0.000 1.131 561 M CA -0.478 54.659 55.300 -0.272 0.000 0.858 561 M CB 1.879 34.188 32.600 -0.485 0.000 1.732 561 M HN 0.190 nan 8.290 nan 0.000 0.516 562 H N 0.628 119.580 119.070 -0.197 0.000 3.181 562 H HA 0.796 5.355 4.556 0.006 0.000 0.331 562 H C -0.930 174.559 175.328 0.268 0.000 0.988 562 H CA -0.629 55.386 56.048 -0.056 0.000 1.449 562 H CB 1.246 30.722 29.762 -0.478 0.000 1.749 562 H HN 0.840 nan 8.280 nan 0.000 0.501 563 G N 1.267 110.461 108.800 0.656 0.000 2.766 563 G HA2 0.388 4.352 3.960 0.006 0.000 0.288 563 G HA3 0.388 4.352 3.960 0.006 0.000 0.288 563 G C -1.880 173.406 174.900 0.644 0.000 1.408 563 G CA -1.053 44.445 45.100 0.662 0.000 0.852 563 G HN 0.386 nan 8.290 nan 0.000 0.487 564 Y N -0.370 120.182 120.300 0.420 0.000 2.308 564 Y HA 0.754 5.307 4.550 0.006 0.000 0.329 564 Y C 0.684 176.616 175.900 0.053 0.000 1.111 564 Y CA 0.030 58.288 58.100 0.262 0.000 1.179 564 Y CB 1.979 40.478 38.460 0.065 0.000 1.201 564 Y HN 0.395 nan 8.280 nan 0.000 0.483 565 M N 0.680 120.430 119.600 0.250 0.000 2.721 565 M HA 0.467 4.950 4.480 0.006 0.000 0.271 565 M C -1.079 175.236 176.300 0.026 0.000 1.259 565 M CA -0.282 54.947 55.300 -0.118 0.000 0.835 565 M CB 2.478 34.614 32.600 -0.773 0.000 1.689 565 M HN 0.418 nan 8.290 nan 0.000 0.470 566 S N 0.518 116.094 115.700 -0.205 0.000 2.532 566 S HA 0.804 5.277 4.470 0.006 0.000 0.301 566 S C -1.387 173.136 174.600 -0.128 0.000 1.083 566 S CA -0.972 57.120 58.200 -0.179 0.000 1.025 566 S CB 1.599 64.498 63.200 -0.501 0.000 1.056 566 S HN 0.551 nan 8.310 nan 0.000 0.494 567 K N 0.587 121.079 120.400 0.154 0.000 2.433 567 K HA 0.779 5.102 4.320 0.006 0.000 0.252 567 K C -1.114 175.673 176.600 0.312 0.000 1.015 567 K CA -0.994 55.429 56.287 0.226 0.000 0.860 567 K CB 1.774 34.383 32.500 0.181 0.000 1.359 567 K HN 0.576 nan 8.250 nan 0.000 0.452 568 M N 0.191 119.754 119.600 -0.061 0.000 2.591 568 M HA 0.633 5.116 4.480 0.006 0.000 0.306 568 M C -1.463 174.634 176.300 -0.338 0.000 1.190 568 M CA -0.114 55.024 55.300 -0.270 0.000 0.889 568 M CB 2.625 34.955 32.600 -0.449 0.000 1.728 568 M HN 0.893 nan 8.290 nan 0.000 0.458 569 G N 3.022 111.665 108.800 -0.262 0.000 2.635 569 G HA2 0.313 4.277 3.960 0.006 0.000 0.295 569 G HA3 0.313 4.277 3.960 0.006 0.000 0.295 569 G C -1.695 173.106 174.900 -0.167 0.000 1.359 569 G CA -0.829 44.162 45.100 -0.182 0.000 1.232 569 G HN 0.766 nan 8.290 nan 0.000 0.597 575 Q N 0.606 120.226 119.800 -0.300 0.000 2.193 575 Q HA 0.639 4.982 4.340 0.006 0.000 0.246 575 Q C -0.800 175.030 176.000 -0.283 0.000 0.959 575 Q CA -0.842 54.834 55.803 -0.213 0.000 0.904 575 Q CB 2.120 30.802 28.738 -0.093 0.000 1.238 575 Q HN 0.611 nan 8.270 nan 0.000 0.469 576 W N 1.130 122.397 121.300 -0.055 0.000 2.393 576 W HA 0.315 4.978 4.660 0.006 0.000 0.315 576 W C -0.529 175.963 176.519 -0.045 0.000 1.009 576 W CA -0.509 56.801 57.345 -0.059 0.000 1.313 576 W CB 1.568 30.994 29.460 -0.055 0.000 1.269 576 W HN 0.430 nan 8.180 nan 0.000 0.420 577 Q N 2.819 122.763 119.800 0.240 0.000 2.279 577 Q HA 0.285 4.629 4.340 0.006 0.000 0.256 577 Q C 0.206 176.278 176.000 0.120 0.000 0.937 577 Q CA -0.405 55.477 55.803 0.132 0.000 0.933 577 Q CB 1.338 30.121 28.738 0.074 0.000 1.189 577 Q HN 0.257 nan 8.270 nan 0.000 0.417 578 R N 3.523 124.076 120.500 0.088 0.000 2.196 578 R HA 0.268 4.612 4.340 0.006 0.000 0.340 578 R C -0.600 175.787 176.300 0.145 0.000 1.043 578 R CA -0.100 56.056 56.100 0.094 0.000 0.883 578 R CB 0.402 30.724 30.300 0.038 0.000 1.078 578 R HN 0.541 nan 8.270 nan 0.000 0.462 579 R N 2.459 123.078 120.500 0.197 0.000 2.919 579 R HA 0.286 4.629 4.340 0.006 0.000 0.260 579 R C -1.266 175.201 176.300 0.278 0.000 1.067 579 R CA -0.930 55.236 56.100 0.109 0.000 1.003 579 R CB 1.387 31.520 30.300 -0.278 0.000 1.192 579 R HN 0.394 nan 8.270 nan 0.000 0.488 580 Y N 1.518 121.766 120.300 -0.087 0.000 2.334 580 Y HA 0.393 4.947 4.550 0.006 0.000 0.336 580 Y C -1.206 174.676 175.900 -0.030 0.000 0.960 580 Y CA -1.646 56.404 58.100 -0.083 0.000 1.164 580 Y CB 0.326 38.645 38.460 -0.235 0.000 1.155 580 Y HN 0.349 nan 8.280 nan 0.000 0.478 581 F N 5.050 125.057 119.950 0.094 0.000 2.432 581 F HA 0.498 5.028 4.527 0.005 0.000 0.329 581 F C -0.790 175.208 175.800 0.331 0.000 1.076 581 F CA -1.022 57.067 58.000 0.148 0.000 1.018 581 F CB 1.063 40.097 39.000 0.058 0.000 1.201 581 F HN 0.351 nan 8.300 nan 0.000 0.489 582 Y N 2.350 122.755 120.300 0.175 0.000 2.338 582 Y HA 0.474 5.027 4.550 0.005 0.000 0.333 582 Y C -0.939 174.937 175.900 -0.040 0.000 0.968 582 Y CA -1.245 56.836 58.100 -0.032 0.000 1.123 582 Y CB 2.034 40.427 38.460 -0.110 0.000 1.165 582 Y HN 0.347 nan 8.280 nan 0.000 0.452 583 L N 5.793 127.003 121.223 -0.021 0.000 2.283 583 L HA 0.522 4.865 4.340 0.006 0.000 0.281 583 L C -1.534 175.199 176.870 -0.229 0.000 1.033 583 L CA -0.212 54.638 54.840 0.017 0.000 0.848 583 L CB -0.335 41.819 42.059 0.159 0.000 1.226 583 L HN 0.321 nan 8.230 nan 0.000 0.429 584 F N 5.192 125.208 119.950 0.110 0.000 2.403 584 F HA 0.511 5.041 4.527 0.006 0.000 0.326 584 F C -1.239 174.595 175.800 0.058 0.000 1.081 584 F CA -1.938 56.093 58.000 0.052 0.000 1.041 584 F CB 0.202 39.221 39.000 0.032 0.000 1.234 584 F HN 0.408 nan 8.300 nan 0.000 0.503 585 P HA -0.028 nan 4.420 nan 0.000 0.244 585 P C -0.187 177.192 177.300 0.130 0.000 1.211 585 P CA 0.899 64.081 63.100 0.137 0.000 0.760 585 P CB -0.084 31.672 31.700 0.093 0.000 0.961 586 N N -1.587 117.207 118.700 0.155 0.000 2.075 586 N HA 0.025 4.768 4.740 0.006 0.000 0.226 586 N C 0.245 175.832 175.510 0.130 0.000 1.343 586 N CA -0.190 52.929 53.050 0.116 0.000 0.881 586 N CB 0.420 38.946 38.487 0.066 0.000 1.100 586 N HN 0.092 nan 8.380 nan 0.000 0.495 587 R N -0.707 119.908 120.500 0.192 0.000 2.781 587 R HA 0.697 5.040 4.340 0.006 0.000 0.269 587 R C -1.842 174.631 176.300 0.288 0.000 1.025 587 R CA -1.068 55.151 56.100 0.197 0.000 0.914 587 R CB 1.171 31.557 30.300 0.142 0.000 1.236 587 R HN -0.000 nan 8.270 nan 0.000 0.465 588 L N 0.936 122.318 121.223 0.265 0.000 2.415 588 L HA 0.460 4.803 4.340 0.006 0.000 0.268 588 L C -0.863 176.210 176.870 0.338 0.000 0.984 588 L CA -0.087 54.960 54.840 0.346 0.000 0.853 588 L CB 1.768 44.039 42.059 0.353 0.000 1.215 588 L HN 0.725 nan 8.230 nan 0.000 0.419 589 E N 3.070 123.471 120.200 0.335 0.000 2.254 589 E HA 0.590 4.944 4.350 0.006 0.000 0.261 589 E C -1.753 174.930 176.600 0.138 0.000 1.051 589 E CA -0.464 56.014 56.400 0.129 0.000 0.902 589 E CB 1.621 31.422 29.700 0.169 0.000 1.168 589 E HN 0.601 nan 8.360 nan 0.000 0.423 590 W N 0.550 121.726 121.300 -0.206 0.000 3.425 590 W HA 0.452 5.115 4.660 0.006 0.000 0.318 590 W C -1.408 174.908 176.519 -0.338 0.000 1.201 590 W CA -0.982 56.110 57.345 -0.421 0.000 1.212 590 W CB 0.371 29.405 29.460 -0.710 0.000 1.355 590 W HN 0.431 nan 8.180 nan 0.000 0.515 591 R N 2.309 122.729 120.500 -0.134 0.000 2.803 591 R HA 0.924 5.267 4.340 0.006 0.000 0.276 591 R C 0.127 176.432 176.300 0.008 0.000 0.978 591 R CA -0.893 55.145 56.100 -0.104 0.000 0.939 591 R CB 1.701 31.867 30.300 -0.222 0.000 1.179 591 R HN 0.785 nan 8.270 nan 0.000 0.472 592 G N 0.402 109.220 108.800 0.029 0.000 2.562 592 G HA2 0.181 4.144 3.960 0.006 0.000 0.275 592 G HA3 0.181 4.144 3.960 0.006 0.000 0.275 592 G C -0.739 174.182 174.900 0.036 0.000 1.196 592 G CA -0.891 44.239 45.100 0.050 0.000 0.908 592 G HN 0.663 nan 8.290 nan 0.000 0.524 593 E N 0.166 120.399 120.200 0.056 0.000 1.865 593 E HA 0.410 4.763 4.350 0.006 0.000 0.269 593 E C 0.892 177.505 176.600 0.022 0.000 1.177 593 E CA 0.509 56.940 56.400 0.052 0.000 0.932 593 E CB 0.365 30.108 29.700 0.071 0.000 1.066 593 E HN 0.759 nan 8.360 nan 0.000 0.405 594 G N 3.342 112.144 108.800 0.004 0.000 3.468 594 G HA2 -0.158 3.805 3.960 0.006 0.000 0.219 594 G HA3 -0.158 3.805 3.960 0.006 0.000 0.219 594 G C 0.085 174.969 174.900 -0.028 0.000 0.968 594 G CA -0.333 44.762 45.100 -0.008 0.000 0.851 594 G HN 0.488 nan 8.290 nan 0.000 0.524 595 E N 0.096 120.270 120.200 -0.043 0.000 2.281 595 E HA 0.804 5.157 4.350 0.006 0.000 0.257 595 E C -0.234 176.287 176.600 -0.132 0.000 0.971 595 E CA -0.650 55.706 56.400 -0.074 0.000 0.839 595 E CB 2.072 31.733 29.700 -0.064 0.000 1.238 595 E HN 0.681 nan 8.360 nan 0.000 0.412 596 A N 1.452 124.170 122.820 -0.171 0.000 2.271 596 A HA 0.450 4.773 4.320 0.006 0.000 0.317 596 A C -2.329 175.083 177.584 -0.286 0.000 1.245 596 A CA -1.850 50.018 52.037 -0.281 0.000 0.857 596 A CB 0.083 18.915 19.000 -0.280 0.000 1.175 596 A HN 0.427 nan 8.150 nan 0.000 0.512 597 P HA -0.101 nan 4.420 nan 0.000 0.248 597 P C 0.443 177.571 177.300 -0.285 0.000 1.127 597 P CA 0.749 63.662 63.100 -0.311 0.000 0.801 597 P CB 0.339 31.866 31.700 -0.287 0.000 0.732 598 Q N 0.393 120.013 119.800 -0.300 0.000 2.376 598 Q HA 0.084 4.427 4.340 0.006 0.000 0.206 598 Q C 0.348 176.128 176.000 -0.365 0.000 0.921 598 Q CA 0.876 56.523 55.803 -0.261 0.000 0.911 598 Q CB 0.471 29.106 28.738 -0.173 0.000 1.032 598 Q HN 0.395 nan 8.270 nan 0.000 0.510 599 S N 0.404 115.707 115.700 -0.662 0.000 2.634 599 S HA 0.720 5.193 4.470 0.006 0.000 0.296 599 S C -0.974 172.961 174.600 -1.108 0.000 1.104 599 S CA -0.755 56.888 58.200 -0.930 0.000 0.920 599 S CB 1.582 64.086 63.200 -1.161 0.000 1.111 599 S HN 0.170 nan 8.310 nan 0.000 0.493 600 L N -0.017 120.701 121.223 -0.843 0.000 2.466 600 L HA 0.817 5.160 4.340 0.006 0.000 0.258 600 L C -1.440 175.306 176.870 -0.208 0.000 0.973 600 L CA -0.788 53.790 54.840 -0.437 0.000 0.826 600 L CB 1.228 43.166 42.059 -0.203 0.000 1.372 600 L HN 0.487 nan 8.230 nan 0.000 0.409 601 L N 1.740 122.988 121.223 0.040 0.000 2.388 601 L HA 0.646 4.989 4.340 0.006 0.000 0.267 601 L C 0.359 177.283 176.870 0.090 0.000 0.995 601 L CA 0.178 55.069 54.840 0.085 0.000 0.864 601 L CB 1.525 43.659 42.059 0.126 0.000 1.216 601 L HN 0.992 nan 8.230 nan 0.000 0.430 602 T N 2.783 117.372 114.554 0.058 0.000 2.828 602 T HA 0.152 4.506 4.350 0.006 0.000 0.290 602 T C 1.386 176.143 174.700 0.095 0.000 1.019 602 T CA -0.436 61.709 62.100 0.075 0.000 1.031 602 T CB 0.800 69.696 68.868 0.047 0.000 1.001 602 T HN 0.537 nan 8.240 nan 0.000 0.531 603 M N 1.410 121.078 119.600 0.114 0.000 2.236 603 M HA 0.076 4.560 4.480 0.006 0.000 0.266 603 M C 2.096 178.494 176.300 0.162 0.000 1.070 603 M CA 1.443 56.834 55.300 0.151 0.000 1.137 603 M CB -1.235 31.462 32.600 0.161 0.000 1.378 603 M HN 0.785 nan 8.290 nan 0.000 0.426 604 E N 0.419 120.686 120.200 0.112 0.000 2.274 604 E HA -0.176 4.177 4.350 0.006 0.000 0.194 604 E C 1.503 178.163 176.600 0.101 0.000 0.996 604 E CA 0.929 57.386 56.400 0.096 0.000 0.840 604 E CB -0.066 29.669 29.700 0.059 0.000 0.772 604 E HN 0.658 nan 8.360 nan 0.000 0.491 605 E N 0.847 121.104 120.200 0.094 0.000 2.489 605 E HA 0.013 4.366 4.350 0.006 0.000 0.193 605 E C 0.304 176.964 176.600 0.100 0.000 1.057 605 E CA -0.027 56.423 56.400 0.084 0.000 0.866 605 E CB 0.073 29.809 29.700 0.060 0.000 0.916 605 E HN 0.177 nan 8.360 nan 0.000 0.500 606 I N 2.114 122.765 120.570 0.135 0.000 2.416 606 I HA 0.016 4.189 4.170 0.006 0.000 0.288 606 I C 1.109 177.356 176.117 0.217 0.000 1.051 606 I CA 0.018 61.390 61.300 0.121 0.000 1.375 606 I CB 1.288 39.322 38.000 0.056 0.000 1.407 606 I HN 0.109 nan 8.210 nan 0.000 0.516 607 Q N 3.211 123.097 119.800 0.145 0.000 2.423 607 Q HA 0.125 4.468 4.340 0.006 0.000 0.231 607 Q C -0.118 176.003 176.000 0.202 0.000 0.894 607 Q CA 0.246 56.166 55.803 0.194 0.000 0.938 607 Q CB 0.811 29.620 28.738 0.118 0.000 1.079 607 Q HN 0.808 nan 8.270 nan 0.000 0.552 608 S N -0.734 114.999 115.700 0.054 0.000 2.605 608 S HA 0.383 4.856 4.470 0.006 0.000 0.279 608 S C -0.877 173.662 174.600 -0.101 0.000 1.166 608 S CA -0.942 57.259 58.200 0.001 0.000 0.975 608 S CB 1.285 64.524 63.200 0.065 0.000 1.111 608 S HN -0.059 nan 8.310 nan 0.000 0.465 609 V N 3.609 123.402 119.914 -0.203 0.000 2.364 609 V HA 0.668 4.792 4.120 0.006 0.000 0.272 609 V C -0.143 175.920 176.094 -0.051 0.000 1.036 609 V CA -0.280 61.933 62.300 -0.146 0.000 0.880 609 V CB 0.669 32.368 31.823 -0.207 0.000 0.991 609 V HN 0.910 nan 8.190 nan 0.000 0.460 610 E N 3.167 123.355 120.200 -0.021 0.000 2.423 610 E HA 0.545 4.898 4.350 0.006 0.000 0.269 610 E C -0.880 175.723 176.600 0.005 0.000 0.948 610 E CA -0.819 55.582 56.400 0.002 0.000 0.802 610 E CB 2.326 32.033 29.700 0.012 0.000 1.339 610 E HN 0.773 nan 8.360 nan 0.000 0.445 611 E N 0.399 120.605 120.200 0.011 0.000 2.212 611 E HA 0.567 4.921 4.350 0.006 0.000 0.268 611 E C -0.870 175.738 176.600 0.012 0.000 0.902 611 E CA -0.577 55.829 56.400 0.010 0.000 0.779 611 E CB 2.325 32.033 29.700 0.013 0.000 1.172 611 E HN 0.340 nan 8.360 nan 0.000 0.409 612 T N 1.019 115.580 114.554 0.011 0.000 2.831 612 T HA 0.420 4.773 4.350 0.006 0.000 0.287 612 T C -1.315 173.394 174.700 0.015 0.000 1.070 612 T CA -0.516 61.593 62.100 0.015 0.000 1.010 612 T CB 1.393 70.273 68.868 0.019 0.000 1.264 612 T HN 0.466 nan 8.240 nan 0.000 0.532 613 Q N 1.642 121.452 119.800 0.018 0.000 2.490 613 Q HA 0.466 4.810 4.340 0.006 0.000 0.255 613 Q C -1.016 175.000 176.000 0.028 0.000 0.997 613 Q CA -0.219 55.595 55.803 0.019 0.000 0.709 613 Q CB 1.386 30.132 28.738 0.013 0.000 1.255 613 Q HN 0.535 nan 8.270 nan 0.000 0.486 614 I N 3.241 123.838 120.570 0.044 0.000 2.287 614 I HA 0.144 4.318 4.170 0.006 0.000 0.290 614 I C -0.034 176.121 176.117 0.065 0.000 1.069 614 I CA -0.369 60.969 61.300 0.064 0.000 1.237 614 I CB 0.367 38.435 38.000 0.114 0.000 1.418 614 I HN 0.584 nan 8.210 nan 0.000 0.481 615 K N 4.940 125.365 120.400 0.041 0.000 3.244 615 K HA -0.222 4.101 4.320 0.006 0.000 0.270 615 K C 0.312 176.930 176.600 0.029 0.000 1.016 615 K CA 0.647 56.954 56.287 0.034 0.000 0.754 615 K CB -0.987 31.537 32.500 0.040 0.000 1.326 615 K HN 0.770 nan 8.250 nan 0.000 0.465 616 E N -2.390 117.823 120.200 0.022 0.000 3.673 616 E HA -0.286 4.067 4.350 0.006 0.000 0.309 616 E C -0.156 176.448 176.600 0.007 0.000 0.819 616 E CA 1.401 57.809 56.400 0.014 0.000 1.111 616 E CB -0.381 29.327 29.700 0.013 0.000 1.561 616 E HN 0.398 nan 8.360 nan 0.000 0.450 617 R N 0.847 121.354 120.500 0.012 0.000 2.543 617 R HA 0.454 4.797 4.340 0.006 0.000 0.268 617 R C 0.212 176.508 176.300 -0.006 0.000 1.067 617 R CA -0.381 55.718 56.100 -0.001 0.000 1.142 617 R CB 0.625 30.924 30.300 -0.002 0.000 1.110 617 R HN -0.041 nan 8.270 nan 0.000 0.549 618 K N 0.483 120.872 120.400 -0.018 0.000 2.130 618 K HA 0.429 4.753 4.320 0.006 0.000 0.268 618 K C -0.760 175.818 176.600 -0.037 0.000 0.983 618 K CA -0.400 55.876 56.287 -0.018 0.000 0.893 618 K CB 1.157 33.649 32.500 -0.014 0.000 1.066 618 K HN 0.569 nan 8.250 nan 0.000 0.450 619 C N 1.565 120.848 119.300 -0.029 0.000 3.291 619 C HA 0.515 4.978 4.460 0.006 0.000 0.316 619 C C -1.062 173.907 174.990 -0.035 0.000 1.391 619 C CA -1.216 57.772 59.018 -0.051 0.000 1.394 619 C CB 0.784 28.510 27.740 -0.023 0.000 1.744 619 C HN 0.660 nan 8.230 nan 0.000 0.461 620 L N 1.930 123.120 121.223 -0.055 0.000 2.305 620 L HA 0.590 4.933 4.340 0.006 0.000 0.284 620 L C -0.902 175.962 176.870 -0.010 0.000 1.013 620 L CA -0.430 54.388 54.840 -0.037 0.000 0.819 620 L CB 1.386 43.407 42.059 -0.064 0.000 1.227 620 L HN 0.473 nan 8.230 nan 0.000 0.417 621 L N 5.401 126.627 121.223 0.004 0.000 2.287 621 L HA 0.499 4.842 4.340 0.006 0.000 0.287 621 L C -0.960 175.924 176.870 0.022 0.000 1.022 621 L CA 0.017 54.871 54.840 0.024 0.000 0.814 621 L CB 1.189 43.261 42.059 0.022 0.000 1.217 621 L HN 0.457 nan 8.230 nan 0.000 0.420 622 L N 5.753 127.011 121.223 0.058 0.000 2.324 622 L HA 0.448 4.791 4.340 0.006 0.000 0.274 622 L C -0.128 176.789 176.870 0.079 0.000 1.012 622 L CA -0.576 54.295 54.840 0.051 0.000 0.859 622 L CB 1.082 43.187 42.059 0.077 0.000 1.224 622 L HN 0.573 nan 8.230 nan 0.000 0.429 623 K N 3.568 123.996 120.400 0.046 0.000 2.322 623 K HA 0.502 4.826 4.320 0.006 0.000 0.283 623 K C -0.508 176.133 176.600 0.068 0.000 1.042 623 K CA 0.094 56.418 56.287 0.061 0.000 0.958 623 K CB 1.150 33.680 32.500 0.051 0.000 0.984 623 K HN 0.404 nan 8.250 nan 0.000 0.473 624 I N 1.417 122.037 120.570 0.082 0.000 3.023 624 I HA 0.295 4.468 4.170 0.006 0.000 0.312 624 I C 1.315 177.475 176.117 0.072 0.000 1.056 624 I CA -0.855 60.493 61.300 0.080 0.000 1.033 624 I CB 1.725 39.780 38.000 0.091 0.000 1.233 624 I HN 0.534 nan 8.210 nan 0.000 0.462 625 R N 1.485 122.025 120.500 0.066 0.000 2.313 625 R HA 0.084 4.428 4.340 0.006 0.000 0.199 625 R C 1.288 177.618 176.300 0.050 0.000 0.958 625 R CA 0.453 56.587 56.100 0.058 0.000 1.047 625 R CB 0.055 30.388 30.300 0.056 0.000 0.955 625 R HN 0.925 nan 8.270 nan 0.000 0.481 626 G N -1.571 107.260 108.800 0.053 0.000 3.088 626 G HA2 0.163 4.126 3.960 0.006 0.000 0.217 626 G HA3 0.163 4.126 3.960 0.006 0.000 0.217 626 G C 0.798 175.726 174.900 0.046 0.000 1.159 626 G CA 0.492 45.620 45.100 0.047 0.000 0.760 626 G HN 0.421 nan 8.290 nan 0.000 0.550 627 G N -0.271 108.559 108.800 0.051 0.000 2.238 627 G HA2 -0.236 3.727 3.960 0.006 0.000 0.217 627 G HA3 -0.236 3.727 3.960 0.006 0.000 0.217 627 G C 0.463 175.398 174.900 0.058 0.000 0.996 627 G CA 0.192 45.321 45.100 0.048 0.000 0.632 627 G HN 0.594 nan 8.290 nan 0.000 0.503 628 K N 1.070 121.513 120.400 0.072 0.000 2.518 628 K HA 0.475 4.798 4.320 0.006 0.000 0.276 628 K C 0.418 177.086 176.600 0.115 0.000 0.974 628 K CA 0.751 57.096 56.287 0.097 0.000 0.986 628 K CB 0.215 32.788 32.500 0.120 0.000 0.901 628 K HN 0.438 nan 8.250 nan 0.000 0.497 629 Q N 1.782 121.659 119.800 0.128 0.000 2.375 629 Q HA 0.525 4.868 4.340 0.006 0.000 0.271 629 Q C -1.576 174.537 176.000 0.188 0.000 1.074 629 Q CA -0.747 55.134 55.803 0.130 0.000 0.808 629 Q CB 1.507 30.281 28.738 0.060 0.000 1.327 629 Q HN 0.489 nan 8.270 nan 0.000 0.441 630 F N 1.082 121.046 119.950 0.023 0.000 2.578 630 F HA 0.621 5.151 4.527 0.005 0.000 0.311 630 F C -1.197 174.613 175.800 0.018 0.000 1.094 630 F CA -0.670 57.344 58.000 0.024 0.000 0.923 630 F CB 1.737 40.757 39.000 0.032 0.000 1.230 630 F HN 0.251 nan 8.300 nan 0.000 0.450 631 V N 5.378 125.262 119.914 -0.050 0.000 2.656 631 V HA 0.561 4.685 4.120 0.006 0.000 0.307 631 V C -0.817 175.308 176.094 0.053 0.000 1.051 631 V CA -0.843 61.480 62.300 0.038 0.000 0.893 631 V CB 2.071 33.944 31.823 0.084 0.000 0.999 631 V HN 0.555 nan 8.190 nan 0.000 0.426 632 L N 3.656 124.855 121.223 -0.040 0.000 2.385 632 L HA 0.594 4.937 4.340 0.006 0.000 0.273 632 L C -0.470 176.210 176.870 -0.317 0.000 0.990 632 L CA -0.327 54.384 54.840 -0.216 0.000 0.821 632 L CB 2.152 44.035 42.059 -0.293 0.000 1.279 632 L HN 0.605 nan 8.230 nan 0.000 0.412 633 Q N 1.796 121.291 119.800 -0.508 0.000 2.333 633 Q HA 0.461 4.804 4.340 0.006 0.000 0.267 633 Q C -1.266 174.489 176.000 -0.408 0.000 1.012 633 Q CA -0.558 54.927 55.803 -0.530 0.000 0.824 633 Q CB 2.683 30.875 28.738 -0.910 0.000 1.290 633 Q HN 0.664 nan 8.270 nan 0.000 0.449 634 C N 1.600 120.731 119.300 -0.282 0.000 2.354 634 C HA 0.280 4.743 4.460 0.006 0.000 0.381 634 C C 0.886 175.779 174.990 -0.162 0.000 1.240 634 C CA -0.327 58.576 59.018 -0.192 0.000 2.089 634 C CB 0.779 28.455 27.740 -0.108 0.000 2.234 634 C HN 0.891 nan 8.230 nan 0.000 0.544 635 D N 0.006 120.339 120.400 -0.111 0.000 2.431 635 D HA 0.074 4.717 4.640 0.006 0.000 0.235 635 D C 0.205 176.445 176.300 -0.100 0.000 0.980 635 D CA 0.637 54.568 54.000 -0.115 0.000 0.912 635 D CB 0.013 40.745 40.800 -0.114 0.000 1.056 635 D HN 0.556 nan 8.370 nan 0.000 0.494 636 S N 0.143 115.793 115.700 -0.083 0.000 2.605 636 S HA 0.291 4.764 4.470 0.006 0.000 0.308 636 S C 0.176 174.728 174.600 -0.080 0.000 1.113 636 S CA -0.839 57.302 58.200 -0.098 0.000 1.049 636 S CB 2.402 65.528 63.200 -0.123 0.000 1.001 636 S HN -0.199 nan 8.310 nan 0.000 0.480 637 D N 3.359 123.726 120.400 -0.055 0.000 2.248 637 D HA -0.132 4.511 4.640 0.006 0.000 0.189 637 D C -0.870 175.377 176.300 -0.089 0.000 1.011 637 D CA 1.882 55.863 54.000 -0.032 0.000 0.868 637 D CB -1.486 39.330 40.800 0.026 0.000 0.931 637 D HN 0.468 nan 8.370 nan 0.000 0.449 638 P HA -0.111 nan 4.420 nan 0.000 0.214 638 P C 1.331 178.485 177.300 -0.244 0.000 1.163 638 P CA 1.259 64.113 63.100 -0.410 0.000 0.883 638 P CB -0.022 31.186 31.700 -0.819 0.000 0.788 639 E N -0.671 119.437 120.200 -0.154 0.000 2.113 639 E HA -0.265 4.088 4.350 0.006 0.000 0.210 639 E C 1.943 178.640 176.600 0.162 0.000 1.040 639 E CA 1.299 57.710 56.400 0.018 0.000 0.847 639 E CB -0.828 28.928 29.700 0.093 0.000 0.755 639 E HN 0.113 nan 8.360 nan 0.000 0.459 640 L N 0.392 121.674 121.223 0.099 0.000 1.990 640 L HA -0.234 4.109 4.340 0.006 0.000 0.213 640 L C 2.329 179.273 176.870 0.123 0.000 1.072 640 L CA 1.439 56.347 54.840 0.113 0.000 0.755 640 L CB -0.180 41.895 42.059 0.026 0.000 0.889 640 L HN 0.024 nan 8.230 nan 0.000 0.432 641 V N -1.050 118.908 119.914 0.074 0.000 2.759 641 V HA -0.238 3.885 4.120 0.006 0.000 0.256 641 V C 2.325 178.484 176.094 0.109 0.000 1.080 641 V CA 1.584 63.943 62.300 0.099 0.000 1.101 641 V CB -0.705 31.196 31.823 0.130 0.000 0.698 641 V HN 0.496 nan 8.190 nan 0.000 0.477 642 Q N -0.837 119.009 119.800 0.078 0.000 2.163 642 Q HA -0.052 4.291 4.340 0.006 0.000 0.198 642 Q C 1.857 177.800 176.000 -0.094 0.000 0.954 642 Q CA 1.520 57.320 55.803 -0.005 0.000 0.851 642 Q CB -0.281 28.419 28.738 -0.063 0.000 0.928 642 Q HN 0.713 nan 8.270 nan 0.000 0.459 643 W N 0.908 122.198 121.300 -0.016 0.000 2.354 643 W HA -0.116 4.547 4.660 0.005 0.000 0.315 643 W C 2.255 178.760 176.519 -0.024 0.000 1.206 643 W CA 1.515 58.839 57.345 -0.035 0.000 1.290 643 W CB -0.309 29.106 29.460 -0.075 0.000 1.152 643 W HN 0.112 nan 8.180 nan 0.000 0.489 644 K N 0.986 121.513 120.400 0.212 0.000 2.089 644 K HA -0.296 4.027 4.320 0.006 0.000 0.210 644 K C 2.133 178.785 176.600 0.086 0.000 1.048 644 K CA 2.030 58.386 56.287 0.116 0.000 0.926 644 K CB -0.298 32.255 32.500 0.087 0.000 0.714 644 K HN -0.008 nan 8.250 nan 0.000 0.448 645 K N 0.048 120.492 120.400 0.073 0.000 2.067 645 K HA -0.084 4.239 4.320 0.006 0.000 0.203 645 K C 1.750 178.380 176.600 0.049 0.000 1.048 645 K CA 1.131 57.451 56.287 0.055 0.000 0.954 645 K CB 0.146 32.670 32.500 0.040 0.000 0.737 645 K HN 0.178 nan 8.250 nan 0.000 0.444 646 E N 0.954 121.163 120.200 0.015 0.000 2.274 646 E HA -0.125 4.228 4.350 0.006 0.000 0.194 646 E C 2.097 178.734 176.600 0.061 0.000 0.996 646 E CA 0.580 56.977 56.400 -0.006 0.000 0.840 646 E CB 0.064 29.689 29.700 -0.124 0.000 0.772 646 E HN 0.343 nan 8.360 nan 0.000 0.491 647 L N 0.012 121.301 121.223 0.109 0.000 2.044 647 L HA -0.071 4.272 4.340 0.006 0.000 0.205 647 L C 2.618 179.568 176.870 0.133 0.000 1.075 647 L CA 0.815 55.733 54.840 0.129 0.000 0.747 647 L CB -0.211 41.918 42.059 0.117 0.000 0.903 647 L HN -0.033 nan 8.230 nan 0.000 0.435 648 R N -0.163 120.408 120.500 0.119 0.000 2.237 648 R HA -0.129 4.214 4.340 0.006 0.000 0.219 648 R C 1.491 177.977 176.300 0.309 0.000 1.080 648 R CA 0.968 57.203 56.100 0.224 0.000 0.995 648 R CB -0.009 30.377 30.300 0.144 0.000 0.875 648 R HN 0.296 nan 8.270 nan 0.000 0.462 649 D N -0.929 119.583 120.400 0.186 0.000 2.262 649 D HA 0.080 4.723 4.640 0.006 0.000 0.212 649 D C 1.524 177.902 176.300 0.130 0.000 0.964 649 D CA 1.097 55.174 54.000 0.128 0.000 0.875 649 D CB 0.035 40.876 40.800 0.067 0.000 0.996 649 D HN 0.222 nan 8.370 nan 0.000 0.497 650 A N 0.430 123.344 122.820 0.157 0.000 1.930 650 A HA -0.163 4.160 4.320 0.006 0.000 0.217 650 A C 2.077 179.771 177.584 0.184 0.000 1.175 650 A CA 1.200 53.322 52.037 0.143 0.000 0.627 650 A CB -1.039 18.044 19.000 0.139 0.000 0.815 650 A HN 0.503 nan 8.150 nan 0.000 0.443 651 Y N -1.282 119.051 120.300 0.055 0.000 2.519 651 Y HA 0.160 4.714 4.550 0.006 0.000 0.287 651 Y C 2.123 178.048 175.900 0.041 0.000 1.128 651 Y CA 0.789 58.921 58.100 0.053 0.000 1.282 651 Y CB -0.059 38.437 38.460 0.060 0.000 1.027 651 Y HN 0.110 nan 8.280 nan 0.000 0.551 652 R N 0.509 120.876 120.500 -0.222 0.000 2.119 652 R HA -0.070 4.274 4.340 0.006 0.000 0.222 652 R C 1.806 178.017 176.300 -0.148 0.000 1.088 652 R CA 1.438 57.339 56.100 -0.332 0.000 0.984 652 R CB -0.006 30.190 30.300 -0.173 0.000 0.884 652 R HN 0.474 nan 8.270 nan 0.000 0.447 653 E N -0.238 119.932 120.200 -0.051 0.000 2.340 653 E HA 0.059 4.412 4.350 0.006 0.000 0.194 653 E C 1.483 178.077 176.600 -0.010 0.000 0.996 653 E CA 0.315 56.702 56.400 -0.023 0.000 0.869 653 E CB 0.327 30.028 29.700 0.002 0.000 0.835 653 E HN 0.277 nan 8.360 nan 0.000 0.493 654 A N 0.399 123.225 122.820 0.009 0.000 2.067 654 A HA -0.090 4.233 4.320 0.006 0.000 0.217 654 A C 1.813 179.398 177.584 0.001 0.000 1.156 654 A CA 0.732 52.783 52.037 0.024 0.000 0.683 654 A CB -0.079 18.960 19.000 0.066 0.000 0.808 654 A HN 0.204 nan 8.150 nan 0.000 0.455 655 Q N -0.964 118.812 119.800 -0.040 0.000 2.392 655 Q HA 0.052 4.395 4.340 0.006 0.000 0.203 655 Q C 1.026 176.995 176.000 -0.051 0.000 0.917 655 Q CA -0.070 55.700 55.803 -0.054 0.000 0.939 655 Q CB 0.177 28.850 28.738 -0.108 0.000 1.063 655 Q HN 0.756 nan 8.270 nan 0.000 0.516 656 Q N 0.000 119.771 119.800 -0.048 0.000 2.315 656 Q HA 0.000 4.343 4.340 0.006 0.000 0.214 656 Q CA 0.000 55.781 55.803 -0.036 0.000 1.022 656 Q CB 0.000 28.718 28.738 -0.033 0.000 1.108 656 Q HN 0.000 nan 8.270 nan 0.000 0.481