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 2wgg_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.567 174.600 -0.054 0.000 1.055 2 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 2 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 3 Q N 3.585 123.355 119.800 -0.050 0.000 2.330 3 Q HA 0.237 4.577 4.340 -0.001 0.000 0.279 3 Q C -2.228 173.689 176.000 -0.137 0.000 1.024 3 Q CA -1.080 54.682 55.803 -0.067 0.000 0.900 3 Q CB -0.397 28.324 28.738 -0.027 0.000 1.221 3 Q HN 0.495 nan 8.270 nan 0.000 0.396 4 P HA 0.027 nan 4.420 nan 0.000 0.271 4 P C -0.581 176.391 177.300 -0.545 0.000 1.216 4 P CA 0.050 62.839 63.100 -0.519 0.000 0.776 4 P CB 1.002 32.172 31.700 -0.884 0.000 0.881 5 S N 0.544 116.009 115.700 -0.391 0.000 2.732 5 S HA 0.419 4.889 4.470 -0.001 0.000 0.293 5 S C 0.979 175.611 174.600 0.053 0.000 1.159 5 S CA -0.416 57.737 58.200 -0.077 0.000 0.847 5 S CB 0.985 64.194 63.200 0.015 0.000 1.169 5 S HN 0.305 nan 8.310 nan 0.000 0.501 6 T N 1.304 116.030 114.554 0.286 0.000 2.851 6 T HA 0.118 4.468 4.350 -0.001 0.000 0.262 6 T C 2.173 176.959 174.700 0.143 0.000 1.043 6 T CA 1.388 63.663 62.100 0.290 0.000 1.140 6 T CB -0.887 68.180 68.868 0.332 0.000 0.872 6 T HN 0.830 nan 8.240 nan 0.000 0.446 7 A N 3.246 126.121 122.820 0.092 0.000 1.883 7 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 7 A C 2.020 179.624 177.584 0.033 0.000 1.186 7 A CA 2.041 54.111 52.037 0.054 0.000 0.624 7 A CB -0.739 18.271 19.000 0.018 0.000 0.822 7 A HN 0.652 nan 8.150 nan 0.000 0.444 8 N N -1.029 117.674 118.700 0.006 0.000 2.461 8 N HA 0.229 4.968 4.740 -0.001 0.000 0.188 8 N C 1.001 176.499 175.510 -0.020 0.000 1.134 8 N CA 1.314 54.354 53.050 -0.015 0.000 0.878 8 N CB -0.463 38.000 38.487 -0.040 0.000 0.972 8 N HN 0.915 nan 8.380 nan 0.000 0.456 9 G N -1.552 107.247 108.800 -0.001 0.000 2.148 9 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.254 9 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.254 9 G C 0.988 175.863 174.900 -0.042 0.000 0.981 9 G CA 0.404 45.509 45.100 0.008 0.000 0.670 9 G HN 0.693 nan 8.290 nan 0.000 0.528 10 G N -0.296 108.419 108.800 -0.142 0.000 2.418 10 G HA2 0.201 4.160 3.960 -0.001 0.000 0.217 10 G HA3 0.201 4.160 3.960 -0.001 0.000 0.217 10 G C 0.603 175.349 174.900 -0.256 0.000 1.158 10 G CA 1.000 45.936 45.100 -0.273 0.000 0.771 10 G HN 0.467 nan 8.290 nan 0.000 0.545 11 F N 1.908 121.864 119.950 0.009 0.000 2.399 11 F HA 0.446 4.973 4.527 -0.001 0.000 0.334 11 F C -1.706 174.091 175.800 -0.005 0.000 1.097 11 F CA -3.449 54.533 58.000 -0.029 0.000 1.076 11 F CB 1.188 40.175 39.000 -0.022 0.000 1.162 11 F HN -0.119 nan 8.300 nan 0.000 0.495 12 P HA 0.015 nan 4.420 nan 0.000 0.269 12 P C -0.373 177.012 177.300 0.142 0.000 1.215 12 P CA -0.257 62.909 63.100 0.110 0.000 0.780 12 P CB 0.895 32.625 31.700 0.049 0.000 0.898 13 S N 1.383 117.167 115.700 0.140 0.000 2.531 13 S HA 0.238 4.708 4.470 -0.001 0.000 0.279 13 S C -0.248 174.442 174.600 0.149 0.000 1.305 13 S CA -0.483 57.817 58.200 0.167 0.000 1.058 13 S CB -0.384 62.910 63.200 0.156 0.000 0.899 13 S HN 0.213 nan 8.310 nan 0.000 0.493 14 V N 6.104 126.131 119.914 0.189 0.000 2.495 14 V HA 0.631 4.751 4.120 -0.001 0.000 0.298 14 V C -0.100 176.090 176.094 0.160 0.000 1.031 14 V CA -0.709 61.693 62.300 0.170 0.000 0.871 14 V CB 1.513 33.484 31.823 0.247 0.000 0.988 14 V HN 0.881 nan 8.190 nan 0.000 0.432 15 V N 2.621 122.600 119.914 0.108 0.000 2.735 15 V HA 0.739 4.859 4.120 -0.001 0.000 0.310 15 V C -0.402 175.725 176.094 0.055 0.000 1.061 15 V CA -0.880 61.460 62.300 0.067 0.000 0.913 15 V CB 1.824 33.627 31.823 -0.033 0.000 1.005 15 V HN 0.468 nan 8.190 nan 0.000 0.428 16 V N 4.087 124.037 119.914 0.060 0.000 2.461 16 V HA 0.410 4.529 4.120 -0.001 0.000 0.275 16 V C 1.351 177.422 176.094 -0.039 0.000 1.047 16 V CA 0.753 63.080 62.300 0.045 0.000 0.955 16 V CB 0.901 32.771 31.823 0.078 0.000 0.988 16 V HN 1.199 nan 8.190 nan 0.000 0.471 17 T N 0.560 115.089 114.554 -0.042 0.000 2.975 17 T HA 0.630 4.979 4.350 -0.001 0.000 0.261 17 T C 0.244 174.896 174.700 -0.080 0.000 0.984 17 T CA 0.465 62.515 62.100 -0.083 0.000 0.911 17 T CB 0.656 69.474 68.868 -0.083 0.000 1.127 17 T HN 1.019 nan 8.240 nan 0.000 0.514 18 A N 1.096 123.884 122.820 -0.053 0.000 2.589 18 A HA 0.742 5.062 4.320 -0.001 0.000 0.296 18 A C -1.098 176.468 177.584 -0.029 0.000 1.062 18 A CA -0.630 51.376 52.037 -0.051 0.000 0.686 18 A CB 1.629 20.596 19.000 -0.055 0.000 1.282 18 A HN 1.034 nan 8.150 nan 0.000 0.404 19 V N -1.301 118.589 119.914 -0.041 0.000 2.876 19 V HA 0.983 5.102 4.120 -0.001 0.000 0.312 19 V C -0.435 175.645 176.094 -0.023 0.000 1.085 19 V CA -0.246 62.032 62.300 -0.038 0.000 0.945 19 V CB 1.493 33.266 31.823 -0.084 0.000 1.017 19 V HN 1.422 nan 8.190 nan 0.000 0.428 20 T N 2.043 116.593 114.554 -0.007 0.000 2.933 20 T HA 0.858 5.207 4.350 -0.001 0.000 0.305 20 T C -0.870 173.831 174.700 0.001 0.000 1.092 20 T CA 0.335 62.434 62.100 -0.001 0.000 1.008 20 T CB 1.462 70.337 68.868 0.012 0.000 1.102 20 T HN 2.081 nan 8.240 nan 0.000 0.469 21 A N 2.466 125.288 122.820 0.004 0.000 2.540 21 A HA 0.691 5.010 4.320 -0.001 0.000 0.297 21 A C -0.446 177.152 177.584 0.023 0.000 1.056 21 A CA -0.654 51.391 52.037 0.014 0.000 0.700 21 A CB 1.953 20.961 19.000 0.014 0.000 1.280 21 A HN 0.731 nan 8.150 nan 0.000 0.398 22 T N 1.557 116.128 114.554 0.029 0.000 2.795 22 T HA 0.719 5.068 4.350 -0.001 0.000 0.282 22 T C 0.227 174.963 174.700 0.060 0.000 0.980 22 T CA 0.587 62.712 62.100 0.042 0.000 1.012 22 T CB 0.386 69.276 68.868 0.038 0.000 0.936 22 T HN 1.605 nan 8.240 nan 0.000 0.457 23 T N 0.361 114.957 114.554 0.070 0.000 2.831 23 T HA 0.443 4.793 4.350 -0.001 0.000 0.287 23 T C 1.477 176.232 174.700 0.091 0.000 1.070 23 T CA -0.011 62.136 62.100 0.078 0.000 1.010 23 T CB 1.004 69.919 68.868 0.077 0.000 1.264 23 T HN 0.449 nan 8.240 nan 0.000 0.532 24 S N -0.240 115.518 115.700 0.096 0.000 2.481 24 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 24 S C 1.776 176.440 174.600 0.107 0.000 0.996 24 S CA 0.362 58.633 58.200 0.119 0.000 0.942 24 S CB -0.859 62.416 63.200 0.126 0.000 0.768 24 S HN 0.619 nan 8.310 nan 0.000 0.520 25 I N 0.290 120.914 120.570 0.090 0.000 2.429 25 I HA 0.136 4.305 4.170 -0.001 0.000 0.247 25 I C 1.164 177.323 176.117 0.070 0.000 1.099 25 I CA 0.547 61.894 61.300 0.078 0.000 1.422 25 I CB 0.180 38.227 38.000 0.078 0.000 1.112 25 I HN 0.336 nan 8.210 nan 0.000 0.430 26 S N -1.056 114.688 115.700 0.073 0.000 2.552 26 S HA 0.323 4.793 4.470 -0.001 0.000 0.272 26 S C -2.300 172.339 174.600 0.066 0.000 1.150 26 S CA -0.949 57.291 58.200 0.067 0.000 0.849 26 S CB 1.761 65.000 63.200 0.066 0.000 1.113 26 S HN -0.188 nan 8.310 nan 0.000 0.458 27 P HA 0.142 nan 4.420 nan 0.000 0.236 27 P C -0.699 176.621 177.300 0.033 0.000 1.177 27 P CA 0.515 63.643 63.100 0.047 0.000 0.773 27 P CB -0.506 31.224 31.700 0.050 0.000 0.878 28 D N -0.251 120.174 120.400 0.042 0.000 2.233 28 D HA 0.180 4.820 4.640 -0.001 0.000 0.240 28 D C 0.992 177.323 176.300 0.052 0.000 1.074 28 D CA -0.764 53.259 54.000 0.038 0.000 0.838 28 D CB 1.147 41.969 40.800 0.037 0.000 1.124 28 D HN -0.260 nan 8.370 nan 0.000 0.475 29 I N 1.392 121.986 120.570 0.040 0.000 2.335 29 I HA -0.241 3.929 4.170 -0.001 0.000 0.251 29 I C 1.543 177.714 176.117 0.090 0.000 1.129 29 I CA 1.710 63.039 61.300 0.047 0.000 1.402 29 I CB -0.092 37.907 38.000 -0.003 0.000 1.069 29 I HN 0.370 nan 8.210 nan 0.000 0.424 30 E N -0.034 120.214 120.200 0.080 0.000 2.152 30 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 30 E C 2.316 179.018 176.600 0.171 0.000 0.983 30 E CA 1.166 57.644 56.400 0.129 0.000 0.818 30 E CB -0.250 29.500 29.700 0.085 0.000 0.758 30 E HN 0.480 nan 8.360 nan 0.000 0.467 31 S N 0.512 116.282 115.700 0.116 0.000 2.387 31 S HA -0.073 4.397 4.470 -0.001 0.000 0.226 31 S C 2.095 176.760 174.600 0.108 0.000 1.026 31 S CA 1.175 59.433 58.200 0.097 0.000 0.972 31 S CB -0.236 63.005 63.200 0.068 0.000 0.814 31 S HN 0.255 nan 8.310 nan 0.000 0.477 32 T N 1.441 116.072 114.554 0.129 0.000 2.665 32 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 32 T C 1.320 176.140 174.700 0.200 0.000 1.035 32 T CA 1.267 63.454 62.100 0.145 0.000 1.151 32 T CB -0.373 68.582 68.868 0.145 0.000 0.862 32 T HN 0.609 nan 8.240 nan 0.000 0.438 33 W N 2.057 123.363 121.300 0.010 0.000 2.355 33 W HA -0.152 4.507 4.660 -0.001 0.000 0.309 33 W C 2.111 178.625 176.519 -0.010 0.000 1.206 33 W CA 1.136 58.480 57.345 -0.003 0.000 1.284 33 W CB -0.113 29.340 29.460 -0.012 0.000 1.145 33 W HN 0.256 nan 8.180 nan 0.000 0.502 34 K N -0.160 120.249 120.400 0.015 0.000 2.026 34 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 34 K C 2.296 178.831 176.600 -0.109 0.000 1.048 34 K CA 1.559 57.785 56.287 -0.100 0.000 0.929 34 K CB -1.017 31.486 32.500 0.005 0.000 0.713 34 K HN 0.234 nan 8.250 nan 0.000 0.439 35 G N 1.895 110.676 108.800 -0.032 0.000 2.491 35 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 35 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 35 G C 1.544 176.407 174.900 -0.062 0.000 1.180 35 G CA 0.787 45.873 45.100 -0.024 0.000 0.774 35 G HN 0.105 nan 8.290 nan 0.000 0.562 36 L N -0.092 121.085 121.223 -0.076 0.000 2.012 36 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 36 L C 2.939 179.670 176.870 -0.232 0.000 1.073 36 L CA 0.774 55.552 54.840 -0.103 0.000 0.748 36 L CB -0.418 41.602 42.059 -0.066 0.000 0.891 36 L HN 0.201 nan 8.230 nan 0.000 0.431 37 L N -0.504 120.483 121.223 -0.394 0.000 2.191 37 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 37 L C 2.498 179.235 176.870 -0.222 0.000 1.103 37 L CA 0.882 55.470 54.840 -0.419 0.000 0.769 37 L CB -0.594 41.138 42.059 -0.546 0.000 0.908 37 L HN 0.228 nan 8.230 nan 0.000 0.438 38 A N -0.318 122.412 122.820 -0.150 0.000 2.238 38 A HA 0.287 4.606 4.320 -0.001 0.000 0.208 38 A C 1.706 179.257 177.584 -0.055 0.000 1.177 38 A CA 0.650 52.639 52.037 -0.080 0.000 0.804 38 A CB -0.553 18.415 19.000 -0.053 0.000 0.823 38 A HN 0.503 nan 8.150 nan 0.000 0.482 39 G N -0.172 108.589 108.800 -0.064 0.000 2.176 39 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.252 39 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.252 39 G C -0.206 174.694 174.900 0.000 0.000 1.024 39 G CA 0.347 45.431 45.100 -0.025 0.000 0.755 39 G HN 0.689 nan 8.290 nan 0.000 0.507 40 E N 0.160 120.360 120.200 -0.001 0.000 2.366 40 E HA 0.502 4.852 4.350 -0.001 0.000 0.266 40 E C 0.272 176.894 176.600 0.036 0.000 1.051 40 E CA 0.187 56.598 56.400 0.019 0.000 0.884 40 E CB 1.365 31.076 29.700 0.018 0.000 1.006 40 E HN 0.202 nan 8.360 nan 0.000 0.417 41 S N 0.361 116.088 115.700 0.044 0.000 2.537 41 S HA 0.475 4.945 4.470 -0.001 0.000 0.301 41 S C 0.633 175.275 174.600 0.069 0.000 1.092 41 S CA -0.419 57.814 58.200 0.054 0.000 1.048 41 S CB 1.433 64.663 63.200 0.050 0.000 1.053 41 S HN 0.602 nan 8.310 nan 0.000 0.501 42 G N 2.765 111.611 108.800 0.077 0.000 3.088 42 G HA2 0.195 4.155 3.960 -0.001 0.000 0.217 42 G HA3 0.195 4.155 3.960 -0.001 0.000 0.217 42 G C 0.250 175.237 174.900 0.145 0.000 1.159 42 G CA -0.078 45.087 45.100 0.107 0.000 0.760 42 G HN 0.604 nan 8.290 nan 0.000 0.550 43 I N 2.033 122.657 120.570 0.090 0.000 2.395 43 I HA 0.370 4.539 4.170 -0.001 0.000 0.289 43 I C 0.335 176.504 176.117 0.086 0.000 1.023 43 I CA -0.820 60.498 61.300 0.031 0.000 1.350 43 I CB 0.257 38.252 38.000 -0.007 0.000 1.409 43 I HN 0.423 nan 8.210 nan 0.000 0.507 44 H N 2.998 122.079 119.070 0.017 0.000 2.943 44 H HA 0.850 5.405 4.556 -0.001 0.000 0.323 44 H C -0.721 174.623 175.328 0.026 0.000 1.296 44 H CA -1.168 54.895 56.048 0.026 0.000 1.155 44 H CB 0.938 30.723 29.762 0.039 0.000 1.882 44 H HN 0.602 nan 8.280 nan 0.000 0.553 45 A N 1.146 124.074 122.820 0.181 0.000 2.401 45 A HA 0.411 4.731 4.320 -0.001 0.000 0.259 45 A C -0.635 177.065 177.584 0.194 0.000 1.103 45 A CA -0.538 51.569 52.037 0.118 0.000 0.789 45 A CB -0.138 18.933 19.000 0.118 0.000 1.035 45 A HN 0.470 nan 8.150 nan 0.000 0.491 46 L N 2.096 123.376 121.223 0.096 0.000 2.410 46 L HA 0.185 4.525 4.340 -0.001 0.000 0.273 46 L C 0.584 177.573 176.870 0.199 0.000 1.144 46 L CA 0.593 55.525 54.840 0.153 0.000 0.863 46 L CB 0.313 42.460 42.059 0.148 0.000 1.140 46 L HN 0.594 nan 8.230 nan 0.000 0.463 47 E N 3.053 123.377 120.200 0.207 0.000 2.127 47 E HA 0.159 4.508 4.350 -0.001 0.000 0.262 47 E C 0.459 177.158 176.600 0.163 0.000 1.144 47 E CA 0.185 56.680 56.400 0.159 0.000 1.144 47 E CB 0.165 29.936 29.700 0.119 0.000 1.297 47 E HN 0.691 nan 8.360 nan 0.000 0.469 48 D N 0.976 121.511 120.400 0.225 0.000 2.310 48 D HA -0.243 4.396 4.640 -0.001 0.000 0.244 48 D C 1.113 177.501 176.300 0.147 0.000 0.935 48 D CA 1.417 55.520 54.000 0.171 0.000 1.638 48 D CB -0.995 39.873 40.800 0.115 0.000 1.379 48 D HN 0.374 nan 8.370 nan 0.000 0.688 49 E N 0.272 120.553 120.200 0.135 0.000 2.230 49 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 49 E C 2.061 178.725 176.600 0.107 0.000 0.987 49 E CA 0.781 57.233 56.400 0.087 0.000 0.841 49 E CB -0.484 29.246 29.700 0.049 0.000 0.783 49 E HN 0.504 nan 8.360 nan 0.000 0.481 50 F N 2.015 121.986 119.950 0.035 0.000 2.120 50 F HA -0.240 4.286 4.527 -0.000 0.000 0.300 50 F C 1.833 177.708 175.800 0.124 0.000 1.095 50 F CA 1.819 59.866 58.000 0.078 0.000 1.249 50 F CB -0.151 38.925 39.000 0.127 0.000 0.995 50 F HN -0.064 nan 8.300 nan 0.000 0.480 51 V N -0.744 119.312 119.914 0.237 0.000 2.407 51 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 51 V C 2.284 178.402 176.094 0.040 0.000 1.041 51 V CA 2.161 64.543 62.300 0.136 0.000 1.040 51 V CB -1.200 30.759 31.823 0.228 0.000 0.671 51 V HN 0.382 nan 8.190 nan 0.000 0.455 52 T N -0.116 114.457 114.554 0.033 0.000 2.746 52 T HA -0.232 4.118 4.350 -0.001 0.000 0.267 52 T C 1.955 176.598 174.700 -0.095 0.000 1.039 52 T CA 1.779 63.872 62.100 -0.012 0.000 1.142 52 T CB -0.258 68.607 68.868 -0.004 0.000 0.866 52 T HN 0.441 nan 8.240 nan 0.000 0.444 53 K N -0.386 119.898 120.400 -0.193 0.000 2.113 53 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 53 K C 1.194 177.452 176.600 -0.571 0.000 1.047 53 K CA 1.493 57.518 56.287 -0.436 0.000 0.928 53 K CB -0.142 32.000 32.500 -0.598 0.000 0.716 53 K HN 0.530 nan 8.250 nan 0.000 0.446 54 W N 2.024 123.232 121.300 -0.153 0.000 3.005 54 W HA 0.068 4.728 4.660 -0.001 0.000 0.374 54 W C -0.589 175.875 176.519 -0.093 0.000 1.076 54 W CA -0.404 56.857 57.345 -0.140 0.000 1.794 54 W CB 0.425 29.753 29.460 -0.220 0.000 1.113 54 W HN 0.195 nan 8.180 nan 0.000 0.584 55 D N 1.648 122.110 120.400 0.104 0.000 3.306 55 D HA -0.249 4.390 4.640 -0.001 0.000 0.194 55 D C -0.480 175.874 176.300 0.090 0.000 1.231 55 D CA 0.973 55.019 54.000 0.077 0.000 0.840 55 D CB -0.923 39.907 40.800 0.049 0.000 0.851 55 D HN 0.239 nan 8.370 nan 0.000 0.406 56 L N 0.844 122.119 121.223 0.085 0.000 2.350 56 L HA 0.437 4.777 4.340 -0.001 0.000 0.275 56 L C 2.032 178.929 176.870 0.046 0.000 1.099 56 L CA -0.311 54.567 54.840 0.062 0.000 0.808 56 L CB 1.205 43.304 42.059 0.068 0.000 1.149 56 L HN 0.409 nan 8.230 nan 0.000 0.442 57 A N 3.348 126.182 122.820 0.023 0.000 1.902 57 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 57 A C 0.881 178.468 177.584 0.005 0.000 1.181 57 A CA 0.775 52.816 52.037 0.008 0.000 0.623 57 A CB -0.166 18.827 19.000 -0.011 0.000 0.818 57 A HN 0.407 nan 8.150 nan 0.000 0.443 58 V N 0.627 120.544 119.914 0.005 0.000 2.432 58 V HA 0.187 4.307 4.120 -0.001 0.000 0.271 58 V C 0.471 176.598 176.094 0.055 0.000 1.046 58 V CA 0.161 62.459 62.300 -0.002 0.000 0.945 58 V CB 1.057 32.855 31.823 -0.042 0.000 0.992 58 V HN 0.468 nan 8.190 nan 0.000 0.471 59 K N 5.538 125.964 120.400 0.042 0.000 2.592 59 K HA 0.452 4.772 4.320 -0.001 0.000 0.203 59 K C -0.304 176.324 176.600 0.046 0.000 1.070 59 K CA -0.029 56.305 56.287 0.078 0.000 1.062 59 K CB 0.513 33.055 32.500 0.071 0.000 0.814 59 K HN 0.767 nan 8.250 nan 0.000 0.502 60 I N -4.032 116.537 120.570 -0.000 0.000 2.994 60 I HA 0.863 5.032 4.170 -0.001 0.000 0.306 60 I C -0.406 175.636 176.117 -0.125 0.000 1.195 60 I CA -1.043 60.215 61.300 -0.071 0.000 1.001 60 I CB 2.467 40.431 38.000 -0.060 0.000 1.244 60 I HN 0.025 nan 8.210 nan 0.000 0.437 61 G N 1.341 109.977 108.800 -0.274 0.000 2.321 61 G HA2 0.499 4.459 3.960 -0.001 0.000 0.298 61 G HA3 0.499 4.459 3.960 -0.001 0.000 0.298 61 G C -1.473 173.089 174.900 -0.562 0.000 1.385 61 G CA -0.273 44.658 45.100 -0.282 0.000 0.856 61 G HN 1.061 nan 8.290 nan 0.000 0.584 62 G N 0.011 108.623 108.800 -0.314 0.000 2.533 62 G HA2 0.587 4.547 3.960 -0.001 0.000 0.310 62 G HA3 0.587 4.547 3.960 -0.001 0.000 0.310 62 G C -0.438 174.441 174.900 -0.035 0.000 1.266 62 G CA -0.484 44.528 45.100 -0.147 0.000 0.967 62 G HN 0.593 nan 8.290 nan 0.000 0.493 63 H N 1.677 120.932 119.070 0.308 0.000 2.607 63 H HA 0.161 4.717 4.556 -0.001 0.000 0.367 63 H C 0.871 176.283 175.328 0.140 0.000 1.181 63 H CA -0.125 56.029 56.048 0.177 0.000 1.402 63 H CB 1.502 31.367 29.762 0.172 0.000 1.474 63 H HN 0.258 nan 8.280 nan 0.000 0.596 64 L N 2.181 123.545 121.223 0.235 0.000 2.559 64 L HA -0.131 4.209 4.340 -0.001 0.000 0.282 64 L C 1.808 178.760 176.870 0.135 0.000 1.232 64 L CA 0.120 55.057 54.840 0.161 0.000 0.885 64 L CB 0.369 42.519 42.059 0.152 0.000 1.131 64 L HN 0.583 nan 8.230 nan 0.000 0.498 65 K N 2.109 122.573 120.400 0.107 0.000 2.103 65 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 65 K C 0.323 176.964 176.600 0.067 0.000 1.048 65 K CA 1.374 57.705 56.287 0.073 0.000 0.930 65 K CB 0.031 32.570 32.500 0.065 0.000 0.716 65 K HN 0.579 nan 8.250 nan 0.000 0.444 66 D N 0.237 120.691 120.400 0.090 0.000 2.440 66 D HA 0.275 4.914 4.640 -0.001 0.000 0.239 66 D C -2.707 173.672 176.300 0.132 0.000 1.084 66 D CA -2.749 51.316 54.000 0.110 0.000 0.843 66 D CB 1.227 42.117 40.800 0.150 0.000 1.097 66 D HN -0.080 nan 8.370 nan 0.000 0.531 67 P HA 0.001 nan 4.420 nan 0.000 0.267 67 P C 1.146 178.540 177.300 0.157 0.000 1.205 67 P CA -0.468 62.699 63.100 0.112 0.000 0.765 67 P CB 1.204 32.935 31.700 0.051 0.000 0.828 68 V N 2.515 122.527 119.914 0.163 0.000 2.282 68 V HA -0.260 3.860 4.120 -0.001 0.000 0.249 68 V C 1.438 177.597 176.094 0.110 0.000 1.057 68 V CA 2.111 64.475 62.300 0.106 0.000 1.032 68 V CB -0.800 30.954 31.823 -0.115 0.000 0.645 68 V HN 0.579 nan 8.190 nan 0.000 0.447 69 D N -0.167 120.281 120.400 0.080 0.000 2.371 69 D HA -0.054 4.586 4.640 -0.001 0.000 0.221 69 D C 2.203 178.505 176.300 0.003 0.000 0.986 69 D CA 1.194 55.220 54.000 0.044 0.000 0.899 69 D CB -0.066 40.774 40.800 0.067 0.000 0.902 69 D HN 0.633 nan 8.370 nan 0.000 0.530 70 S N -0.778 114.898 115.700 -0.040 0.000 2.561 70 S HA -0.094 4.375 4.470 -0.001 0.000 0.225 70 S C 1.061 175.457 174.600 -0.340 0.000 0.977 70 S CA 0.396 58.486 58.200 -0.183 0.000 0.926 70 S CB -0.356 62.704 63.200 -0.233 0.000 0.769 70 S HN 0.313 nan 8.310 nan 0.000 0.533 71 H N 0.137 119.202 119.070 -0.007 0.000 2.542 71 H HA 0.471 5.026 4.556 -0.001 0.000 0.283 71 H C -0.202 175.116 175.328 -0.016 0.000 1.059 71 H CA -0.221 55.821 56.048 -0.011 0.000 1.162 71 H CB 0.225 29.979 29.762 -0.013 0.000 1.539 71 H HN 0.298 nan 8.280 nan 0.000 0.543 72 M N 0.823 120.454 119.600 0.051 0.000 2.311 72 M HA 0.390 4.869 4.480 -0.001 0.000 0.325 72 M C 0.745 177.052 176.300 0.011 0.000 1.061 72 M CA -0.524 54.792 55.300 0.026 0.000 0.957 72 M CB 1.775 34.381 32.600 0.010 0.000 1.646 72 M HN 0.270 nan 8.290 nan 0.000 0.434 73 G N 1.528 110.334 108.800 0.010 0.000 2.557 73 G HA2 0.428 4.387 3.960 -0.001 0.000 0.292 73 G HA3 0.428 4.387 3.960 -0.001 0.000 0.292 73 G C 0.702 175.605 174.900 0.006 0.000 1.237 73 G CA -0.284 44.820 45.100 0.006 0.000 0.978 73 G HN 0.716 nan 8.290 nan 0.000 0.498 74 R N -1.128 119.376 120.500 0.005 0.000 2.091 74 R HA -0.051 4.289 4.340 -0.001 0.000 0.238 74 R C 2.462 178.767 176.300 0.007 0.000 1.136 74 R CA 0.765 56.870 56.100 0.007 0.000 0.959 74 R CB -0.570 29.733 30.300 0.006 0.000 0.856 74 R HN 0.417 nan 8.270 nan 0.000 0.437 75 L N 0.919 122.145 121.223 0.006 0.000 1.970 75 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 75 L C 0.918 177.791 176.870 0.004 0.000 1.071 75 L CA 2.197 57.040 54.840 0.004 0.000 0.751 75 L CB -1.175 40.886 42.059 0.003 0.000 0.889 75 L HN 0.183 nan 8.230 nan 0.000 0.432 76 D N -0.420 119.981 120.400 0.002 0.000 2.182 76 D HA -0.204 4.435 4.640 -0.001 0.000 0.201 76 D C 2.309 178.611 176.300 0.003 0.000 0.986 76 D CA 1.020 55.019 54.000 -0.002 0.000 0.847 76 D CB -0.075 40.721 40.800 -0.006 0.000 0.942 76 D HN 0.295 nan 8.370 nan 0.000 0.467 77 M N -0.360 119.246 119.600 0.009 0.000 2.296 77 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 77 M C 2.011 178.325 176.300 0.023 0.000 1.064 77 M CA 0.892 56.204 55.300 0.020 0.000 1.109 77 M CB -0.493 32.120 32.600 0.022 0.000 1.396 77 M HN 0.005 nan 8.290 nan 0.000 0.430 78 R N -0.071 120.440 120.500 0.017 0.000 2.189 78 R HA 0.064 4.404 4.340 -0.001 0.000 0.203 78 R C 1.641 177.950 176.300 0.016 0.000 1.012 78 R CA 0.422 56.533 56.100 0.018 0.000 1.015 78 R CB 0.485 30.793 30.300 0.014 0.000 0.938 78 R HN 0.283 nan 8.270 nan 0.000 0.472 79 R N -1.082 119.425 120.500 0.011 0.000 2.404 79 R HA 0.302 4.641 4.340 -0.001 0.000 0.237 79 R C 0.220 176.523 176.300 0.005 0.000 0.907 79 R CA 0.145 56.249 56.100 0.007 0.000 1.063 79 R CB 0.916 31.217 30.300 0.002 0.000 1.134 79 R HN 0.086 nan 8.270 nan 0.000 0.529 80 M N 0.539 120.143 119.600 0.006 0.000 2.591 80 M HA 0.236 4.716 4.480 -0.001 0.000 0.306 80 M C 0.048 176.360 176.300 0.020 0.000 1.190 80 M CA -0.737 54.565 55.300 0.003 0.000 0.889 80 M CB 2.476 35.067 32.600 -0.016 0.000 1.728 80 M HN -0.084 nan 8.290 nan 0.000 0.458 81 S N 0.387 116.104 115.700 0.027 0.000 2.624 81 S HA 0.129 4.599 4.470 -0.001 0.000 0.263 81 S C 0.752 175.397 174.600 0.076 0.000 1.287 81 S CA -0.370 57.867 58.200 0.062 0.000 0.990 81 S CB 0.534 63.772 63.200 0.062 0.000 0.950 81 S HN 0.786 nan 8.310 nan 0.000 0.561 82 Y N 1.691 121.999 120.300 0.012 0.000 2.128 82 Y HA -0.190 4.359 4.550 -0.001 0.000 0.284 82 Y C 2.234 178.139 175.900 0.009 0.000 1.154 82 Y CA 2.417 60.525 58.100 0.012 0.000 1.149 82 Y CB -0.712 37.755 38.460 0.012 0.000 0.976 82 Y HN 0.540 nan 8.280 nan 0.000 0.505 83 V N -1.396 118.619 119.914 0.169 0.000 2.626 83 V HA -0.261 3.858 4.120 -0.001 0.000 0.252 83 V C 1.877 177.949 176.094 -0.037 0.000 1.067 83 V CA 1.995 64.342 62.300 0.078 0.000 1.081 83 V CB -1.004 30.886 31.823 0.111 0.000 0.686 83 V HN 0.491 nan 8.190 nan 0.000 0.468 84 Q N 0.340 120.119 119.800 -0.035 0.000 2.079 84 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 84 Q C 2.563 178.507 176.000 -0.092 0.000 0.974 84 Q CA 1.842 57.615 55.803 -0.050 0.000 0.840 84 Q CB -0.192 28.529 28.738 -0.028 0.000 0.898 84 Q HN 0.648 nan 8.270 nan 0.000 0.430 85 R N 0.298 120.712 120.500 -0.142 0.000 2.081 85 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 85 R C 2.306 178.472 176.300 -0.223 0.000 1.131 85 R CA 1.531 57.523 56.100 -0.180 0.000 0.960 85 R CB -0.418 29.753 30.300 -0.214 0.000 0.856 85 R HN 0.333 nan 8.270 nan 0.000 0.436 86 M N 0.553 119.954 119.600 -0.332 0.000 2.117 86 M HA -0.094 4.386 4.480 -0.001 0.000 0.262 86 M C 2.095 178.326 176.300 -0.116 0.000 1.065 86 M CA 2.179 57.335 55.300 -0.240 0.000 1.114 86 M CB -0.344 32.120 32.600 -0.227 0.000 1.361 86 M HN 0.233 nan 8.290 nan 0.000 0.408 87 G N 0.538 109.284 108.800 -0.090 0.000 2.421 87 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 87 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 87 G C 1.563 176.433 174.900 -0.051 0.000 1.171 87 G CA 1.136 46.205 45.100 -0.052 0.000 0.775 87 G HN 0.547 nan 8.290 nan 0.000 0.543 88 K N -0.234 120.128 120.400 -0.062 0.000 2.026 88 K HA -0.063 4.257 4.320 -0.001 0.000 0.208 88 K C 2.456 179.027 176.600 -0.048 0.000 1.048 88 K CA 1.239 57.494 56.287 -0.053 0.000 0.929 88 K CB -0.321 32.147 32.500 -0.053 0.000 0.713 88 K HN 0.216 nan 8.250 nan 0.000 0.439 89 L N 1.851 123.035 121.223 -0.065 0.000 1.971 89 L HA -0.213 4.126 4.340 -0.001 0.000 0.215 89 L C 2.120 178.953 176.870 -0.062 0.000 1.072 89 L CA 1.750 56.543 54.840 -0.077 0.000 0.758 89 L CB -0.525 41.470 42.059 -0.108 0.000 0.889 89 L HN 0.261 nan 8.230 nan 0.000 0.433 90 L N -1.259 119.936 121.223 -0.046 0.000 2.156 90 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 90 L C 2.517 179.399 176.870 0.019 0.000 1.095 90 L CA 0.951 55.781 54.840 -0.017 0.000 0.770 90 L CB -1.371 40.683 42.059 -0.008 0.000 0.914 90 L HN 0.456 nan 8.230 nan 0.000 0.439 91 G N 0.047 108.857 108.800 0.016 0.000 2.418 91 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 91 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 91 G C 1.595 176.549 174.900 0.091 0.000 1.158 91 G CA 0.753 45.881 45.100 0.047 0.000 0.771 91 G HN 0.468 nan 8.290 nan 0.000 0.545 92 G N -0.047 108.785 108.800 0.054 0.000 2.403 92 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.216 92 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.216 92 G C 1.775 176.741 174.900 0.110 0.000 1.154 92 G CA 0.863 46.017 45.100 0.090 0.000 0.784 92 G HN 0.489 nan 8.290 nan 0.000 0.538 93 Q N -0.556 119.276 119.800 0.053 0.000 2.050 93 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 93 Q C 2.484 178.524 176.000 0.066 0.000 0.980 93 Q CA 1.191 57.016 55.803 0.036 0.000 0.840 93 Q CB -0.288 28.446 28.738 -0.007 0.000 0.898 93 Q HN 0.422 nan 8.270 nan 0.000 0.424 94 L N 0.116 121.397 121.223 0.097 0.000 2.017 94 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 94 L C 1.933 178.904 176.870 0.169 0.000 1.073 94 L CA 1.774 56.685 54.840 0.119 0.000 0.745 94 L CB -0.607 41.541 42.059 0.149 0.000 0.894 94 L HN 0.382 nan 8.230 nan 0.000 0.432 95 W N 0.506 121.803 121.300 -0.005 0.000 2.355 95 W HA -0.234 4.426 4.660 -0.000 0.000 0.309 95 W C 2.409 178.915 176.519 -0.021 0.000 1.206 95 W CA 1.778 59.115 57.345 -0.013 0.000 1.284 95 W CB -0.010 29.451 29.460 0.000 0.000 1.145 95 W HN 0.355 nan 8.180 nan 0.000 0.502 96 E N -0.002 120.276 120.200 0.131 0.000 2.065 96 E HA -0.246 4.104 4.350 -0.001 0.000 0.201 96 E C 2.138 178.710 176.600 -0.046 0.000 1.016 96 E CA 2.336 58.750 56.400 0.023 0.000 0.818 96 E CB -0.368 29.358 29.700 0.043 0.000 0.749 96 E HN 0.015 nan 8.360 nan 0.000 0.453 97 S N -0.182 115.500 115.700 -0.030 0.000 2.440 97 S HA -0.135 4.334 4.470 -0.001 0.000 0.238 97 S C 1.692 176.229 174.600 -0.105 0.000 1.010 97 S CA 0.858 59.027 58.200 -0.053 0.000 0.972 97 S CB -0.003 63.178 63.200 -0.032 0.000 0.774 97 S HN 0.416 nan 8.310 nan 0.000 0.501 98 A N 0.194 122.912 122.820 -0.170 0.000 2.251 98 A HA 0.517 4.837 4.320 -0.001 0.000 0.209 98 A C 1.504 178.903 177.584 -0.308 0.000 1.187 98 A CA 0.620 52.499 52.037 -0.263 0.000 0.823 98 A CB -0.546 18.218 19.000 -0.393 0.000 0.846 98 A HN 0.863 nan 8.150 nan 0.000 0.486 99 G N -0.942 107.707 108.800 -0.251 0.000 2.142 99 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.225 99 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.225 99 G C 0.364 175.106 174.900 -0.263 0.000 1.015 99 G CA 0.268 45.244 45.100 -0.208 0.000 0.716 99 G HN 1.297 nan 8.290 nan 0.000 0.508 100 S N -0.182 115.290 115.700 -0.380 0.000 3.447 100 S HA -0.144 4.326 4.470 -0.001 0.000 0.371 100 S C -1.126 173.221 174.600 -0.422 0.000 0.951 100 S CA 0.993 58.934 58.200 -0.431 0.000 1.269 100 S CB -0.941 62.238 63.200 -0.036 0.000 0.919 100 S HN 1.011 nan 8.310 nan 0.000 0.516 101 P HA 0.222 nan 4.420 nan 0.000 0.272 101 P C -0.231 177.012 177.300 -0.095 0.000 1.223 101 P CA -0.051 62.811 63.100 -0.397 0.000 0.784 101 P CB 0.593 31.985 31.700 -0.513 0.000 0.923 102 E N 1.480 121.672 120.200 -0.012 0.000 2.046 102 E HA 0.280 4.630 4.350 -0.001 0.000 0.279 102 E C 0.181 176.823 176.600 0.069 0.000 0.989 102 E CA -0.609 55.841 56.400 0.083 0.000 0.798 102 E CB 1.217 30.948 29.700 0.052 0.000 1.086 102 E HN 0.275 nan 8.360 nan 0.000 0.399 103 V N -0.510 119.483 119.914 0.131 0.000 2.994 103 V HA 0.405 4.525 4.120 -0.001 0.000 0.318 103 V C 0.170 176.350 176.094 0.143 0.000 1.085 103 V CA -1.200 61.180 62.300 0.133 0.000 0.998 103 V CB 2.013 33.887 31.823 0.085 0.000 1.063 103 V HN 0.322 nan 8.190 nan 0.000 0.447 104 D N 3.415 123.910 120.400 0.158 0.000 2.346 104 D HA 0.275 4.914 4.640 -0.001 0.000 0.260 104 D C -1.279 175.129 176.300 0.180 0.000 1.252 104 D CA -1.954 52.130 54.000 0.139 0.000 0.895 104 D CB 1.688 42.560 40.800 0.122 0.000 1.097 104 D HN 0.464 nan 8.370 nan 0.000 0.489 105 P HA -0.117 nan 4.420 nan 0.000 0.219 105 P C 0.365 177.756 177.300 0.153 0.000 1.146 105 P CA 0.767 63.998 63.100 0.218 0.000 0.808 105 P CB 0.473 32.254 31.700 0.134 0.000 0.779 106 D N -0.736 119.726 120.400 0.104 0.000 2.363 106 D HA -0.018 4.621 4.640 -0.001 0.000 0.220 106 D C 1.445 177.784 176.300 0.066 0.000 0.994 106 D CA 0.587 54.624 54.000 0.062 0.000 0.890 106 D CB -0.048 40.780 40.800 0.045 0.000 0.906 106 D HN 0.142 nan 8.370 nan 0.000 0.530 107 R N -0.031 120.534 120.500 0.107 0.000 2.543 107 R HA 0.145 4.485 4.340 -0.001 0.000 0.323 107 R C -0.317 176.073 176.300 0.150 0.000 1.002 107 R CA -0.429 55.724 56.100 0.089 0.000 1.106 107 R CB 0.199 30.541 30.300 0.070 0.000 1.280 107 R HN 0.024 nan 8.270 nan 0.000 0.549 108 F N 1.669 121.614 119.950 -0.009 0.000 2.375 108 F HA 0.665 5.192 4.527 -0.000 0.000 0.361 108 F C -0.735 175.054 175.800 -0.018 0.000 1.117 108 F CA -2.221 55.778 58.000 -0.003 0.000 1.037 108 F CB 0.945 39.966 39.000 0.035 0.000 1.192 108 F HN -0.002 nan 8.300 nan 0.000 0.452 109 A N 4.964 127.762 122.820 -0.037 0.000 2.299 109 A HA 0.869 5.189 4.320 -0.001 0.000 0.332 109 A C -1.486 175.934 177.584 -0.273 0.000 1.131 109 A CA -0.684 51.230 52.037 -0.205 0.000 0.844 109 A CB 1.536 20.498 19.000 -0.062 0.000 1.251 109 A HN 0.556 nan 8.150 nan 0.000 0.486 110 V N 0.862 120.626 119.914 -0.250 0.000 2.588 110 V HA 0.543 4.663 4.120 -0.001 0.000 0.304 110 V C -0.917 175.131 176.094 -0.078 0.000 1.042 110 V CA -0.394 61.809 62.300 -0.162 0.000 0.877 110 V CB 1.717 33.402 31.823 -0.229 0.000 0.996 110 V HN 0.666 nan 8.190 nan 0.000 0.425 111 V N 5.265 125.168 119.914 -0.019 0.000 2.462 111 V HA 0.535 4.654 4.120 -0.001 0.000 0.288 111 V C -0.674 175.429 176.094 0.015 0.000 1.020 111 V CA -0.503 61.798 62.300 0.002 0.000 0.857 111 V CB 1.775 33.624 31.823 0.043 0.000 1.013 111 V HN 0.574 nan 8.190 nan 0.000 0.431 112 V N 3.575 123.488 119.914 -0.001 0.000 2.525 112 V HA 0.768 4.887 4.120 -0.001 0.000 0.299 112 V C 0.711 176.807 176.094 0.004 0.000 1.034 112 V CA -0.310 61.994 62.300 0.007 0.000 0.863 112 V CB 1.935 33.758 31.823 -0.001 0.000 0.999 112 V HN 0.881 nan 8.190 nan 0.000 0.423 113 G N 3.082 111.890 108.800 0.014 0.000 2.476 113 G HA2 0.749 4.709 3.960 -0.001 0.000 0.286 113 G HA3 0.749 4.709 3.960 -0.001 0.000 0.286 113 G C -0.263 174.644 174.900 0.013 0.000 1.177 113 G CA -0.093 45.013 45.100 0.009 0.000 0.870 113 G HN 0.761 nan 8.290 nan 0.000 0.528 114 T N -1.757 112.804 114.554 0.012 0.000 2.816 114 T HA 0.546 4.896 4.350 -0.001 0.000 0.299 114 T C 1.123 175.836 174.700 0.022 0.000 1.230 114 T CA 0.052 62.165 62.100 0.022 0.000 1.007 114 T CB 1.509 70.394 68.868 0.028 0.000 1.289 114 T HN 0.672 nan 8.240 nan 0.000 0.508 115 G N -0.774 108.047 108.800 0.035 0.000 2.453 115 G HA2 0.226 4.185 3.960 -0.001 0.000 0.215 115 G HA3 0.226 4.185 3.960 -0.001 0.000 0.215 115 G C 0.867 175.798 174.900 0.052 0.000 1.147 115 G CA 0.362 45.491 45.100 0.049 0.000 0.802 115 G HN 0.575 nan 8.290 nan 0.000 0.535 116 L N -2.319 118.931 121.223 0.045 0.000 2.463 116 L HA 0.466 4.806 4.340 -0.001 0.000 0.208 116 L C 1.182 178.070 176.870 0.030 0.000 1.082 116 L CA 0.846 55.710 54.840 0.040 0.000 0.997 116 L CB 0.689 42.776 42.059 0.047 0.000 1.953 116 L HN 0.477 nan 8.230 nan 0.000 0.499 117 G N -0.391 108.431 108.800 0.036 0.000 2.384 117 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.204 117 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.204 117 G C 0.209 175.137 174.900 0.047 0.000 1.237 117 G CA -0.409 44.712 45.100 0.035 0.000 1.060 117 G HN 0.377 nan 8.290 nan 0.000 0.514 118 G N 0.453 109.279 108.800 0.043 0.000 3.353 118 G HA2 0.581 4.540 3.960 -0.001 0.000 0.247 118 G HA3 0.581 4.540 3.960 -0.001 0.000 0.247 118 G C 1.303 176.230 174.900 0.044 0.000 1.025 118 G CA 1.464 46.596 45.100 0.053 0.000 1.863 118 G HN 1.820 nan 8.290 nan 0.000 0.635 119 A N 1.278 124.121 122.820 0.038 0.000 2.019 119 A HA -0.085 4.235 4.320 -0.001 0.000 0.219 119 A C 2.292 179.894 177.584 0.030 0.000 1.164 119 A CA 1.640 53.693 52.037 0.026 0.000 0.644 119 A CB -0.067 18.944 19.000 0.019 0.000 0.805 119 A HN 0.571 nan 8.150 nan 0.000 0.449 120 E N 0.072 120.296 120.200 0.041 0.000 2.209 120 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 120 E C 1.466 178.100 176.600 0.056 0.000 0.993 120 E CA 0.999 57.428 56.400 0.048 0.000 0.819 120 E CB -0.414 29.318 29.700 0.054 0.000 0.745 120 E HN 0.459 nan 8.360 nan 0.000 0.477 121 R N 0.377 120.909 120.500 0.054 0.000 2.200 121 R HA 0.208 4.548 4.340 -0.001 0.000 0.208 121 R C 2.449 178.782 176.300 0.055 0.000 1.033 121 R CA 0.337 56.469 56.100 0.054 0.000 1.000 121 R CB -0.481 29.848 30.300 0.048 0.000 0.906 121 R HN 0.343 nan 8.270 nan 0.000 0.462 122 I N 0.723 121.320 120.570 0.044 0.000 2.163 122 I HA -0.242 3.927 4.170 -0.001 0.000 0.240 122 I C 2.409 178.568 176.117 0.069 0.000 1.081 122 I CA 1.354 62.678 61.300 0.039 0.000 1.353 122 I CB -0.454 37.548 38.000 0.003 0.000 1.054 122 I HN -0.072 nan 8.210 nan 0.000 0.407 123 V N -1.311 118.639 119.914 0.062 0.000 2.427 123 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 123 V C 2.254 178.445 176.094 0.161 0.000 1.051 123 V CA 1.919 64.286 62.300 0.112 0.000 1.048 123 V CB -0.900 30.970 31.823 0.078 0.000 0.666 123 V HN 0.511 nan 8.190 nan 0.000 0.456 124 E N 0.943 121.209 120.200 0.110 0.000 2.058 124 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 124 E C 2.281 178.937 176.600 0.093 0.000 0.997 124 E CA 1.865 58.321 56.400 0.093 0.000 0.801 124 E CB -0.169 29.573 29.700 0.071 0.000 0.746 124 E HN 0.711 nan 8.360 nan 0.000 0.450 125 S N -0.267 115.492 115.700 0.098 0.000 2.383 125 S HA -0.155 4.315 4.470 -0.001 0.000 0.227 125 S C 1.554 176.224 174.600 0.116 0.000 1.026 125 S CA 1.063 59.316 58.200 0.088 0.000 0.981 125 S CB -0.460 62.786 63.200 0.078 0.000 0.818 125 S HN 0.443 nan 8.310 nan 0.000 0.472 126 Y N 2.542 122.852 120.300 0.017 0.000 2.097 126 Y HA -0.243 4.306 4.550 -0.001 0.000 0.282 126 Y C 2.049 177.959 175.900 0.017 0.000 1.152 126 Y CA 1.842 59.951 58.100 0.015 0.000 1.136 126 Y CB -0.274 38.195 38.460 0.015 0.000 0.975 126 Y HN 0.140 nan 8.280 nan 0.000 0.498 127 D N 0.374 120.785 120.400 0.017 0.000 2.123 127 D HA -0.201 4.439 4.640 -0.001 0.000 0.196 127 D C 2.271 178.528 176.300 -0.071 0.000 0.992 127 D CA 1.589 55.547 54.000 -0.070 0.000 0.833 127 D CB -0.416 40.404 40.800 0.035 0.000 0.954 127 D HN 0.416 nan 8.370 nan 0.000 0.455 128 L N -0.010 121.202 121.223 -0.018 0.000 2.017 128 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 128 L C 2.590 179.440 176.870 -0.033 0.000 1.073 128 L CA 0.920 55.752 54.840 -0.014 0.000 0.745 128 L CB -0.291 41.775 42.059 0.011 0.000 0.894 128 L HN 0.069 nan 8.230 nan 0.000 0.432 129 M N -0.317 119.259 119.600 -0.040 0.000 2.132 129 M HA -0.193 4.287 4.480 -0.001 0.000 0.263 129 M C 2.017 178.265 176.300 -0.086 0.000 1.065 129 M CA 1.615 56.887 55.300 -0.047 0.000 1.122 129 M CB -0.153 32.433 32.600 -0.023 0.000 1.365 129 M HN 0.252 nan 8.290 nan 0.000 0.411 130 N N 0.801 119.403 118.700 -0.164 0.000 2.149 130 N HA -0.130 4.610 4.740 -0.001 0.000 0.188 130 N C 1.566 177.010 175.510 -0.110 0.000 1.019 130 N CA 1.790 54.729 53.050 -0.185 0.000 0.857 130 N CB -0.387 37.901 38.487 -0.333 0.000 0.997 130 N HN 0.480 nan 8.380 nan 0.000 0.426 131 A N -0.379 122.388 122.820 -0.087 0.000 1.878 131 A HA 0.234 4.554 4.320 -0.001 0.000 0.213 131 A C 1.978 179.540 177.584 -0.036 0.000 1.192 131 A CA 1.493 53.498 52.037 -0.053 0.000 0.619 131 A CB -0.453 18.523 19.000 -0.040 0.000 0.837 131 A HN 0.342 nan 8.150 nan 0.000 0.446 132 G N -2.049 106.732 108.800 -0.032 0.000 3.441 132 G HA2 0.507 4.467 3.960 -0.001 0.000 0.263 132 G HA3 0.507 4.467 3.960 -0.001 0.000 0.263 132 G C 0.729 175.618 174.900 -0.017 0.000 1.014 132 G CA 0.572 45.660 45.100 -0.020 0.000 0.833 132 G HN 1.623 nan 8.290 nan 0.000 0.514 133 G N 0.540 109.326 108.800 -0.023 0.000 2.728 133 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.294 133 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.294 133 G C -1.362 173.533 174.900 -0.010 0.000 1.342 133 G CA -0.159 44.931 45.100 -0.016 0.000 0.866 133 G HN 0.023 nan 8.290 nan 0.000 0.534 134 P HA -0.055 nan 4.420 nan 0.000 0.220 134 P C 1.556 178.858 177.300 0.004 0.000 1.148 134 P CA 1.242 64.344 63.100 0.002 0.000 0.803 134 P CB 0.031 31.734 31.700 0.004 0.000 0.782 135 R N 0.232 120.733 120.500 0.001 0.000 2.285 135 R HA -0.022 4.318 4.340 -0.001 0.000 0.213 135 R C 1.874 178.176 176.300 0.003 0.000 1.068 135 R CA 0.928 57.029 56.100 0.002 0.000 1.004 135 R CB -0.336 29.965 30.300 0.001 0.000 0.873 135 R HN -0.049 nan 8.270 nan 0.000 0.467 136 K N -0.361 120.041 120.400 0.002 0.000 2.418 136 K HA 0.098 4.417 4.320 -0.001 0.000 0.195 136 K C -0.022 176.584 176.600 0.009 0.000 1.035 136 K CA 0.223 56.512 56.287 0.004 0.000 1.003 136 K CB 0.369 32.869 32.500 -0.001 0.000 0.793 136 K HN 0.002 nan 8.250 nan 0.000 0.494 137 V N 2.178 122.099 119.914 0.012 0.000 2.555 137 V HA 0.024 4.144 4.120 -0.001 0.000 0.286 137 V C 0.735 176.838 176.094 0.016 0.000 1.044 137 V CA -0.394 61.917 62.300 0.018 0.000 1.026 137 V CB 1.343 33.178 31.823 0.022 0.000 0.981 137 V HN 0.124 nan 8.190 nan 0.000 0.480 138 S N 5.880 121.591 115.700 0.018 0.000 2.549 138 S HA 0.219 4.689 4.470 -0.001 0.000 0.279 138 S C -1.173 173.435 174.600 0.013 0.000 1.321 138 S CA -1.019 57.191 58.200 0.015 0.000 1.054 138 S CB 0.945 64.156 63.200 0.017 0.000 0.899 138 S HN 0.653 nan 8.310 nan 0.000 0.497 139 P HA -0.045 nan 4.420 nan 0.000 0.222 139 P C 0.674 177.979 177.300 0.007 0.000 1.142 139 P CA 1.069 64.173 63.100 0.007 0.000 0.788 139 P CB 0.050 31.753 31.700 0.005 0.000 0.767 140 L N -2.469 118.759 121.223 0.009 0.000 2.585 140 L HA 0.209 4.548 4.340 -0.001 0.000 0.226 140 L C 2.234 179.112 176.870 0.012 0.000 1.113 140 L CA 0.213 55.058 54.840 0.008 0.000 0.876 140 L CB -0.568 41.496 42.059 0.008 0.000 1.072 140 L HN -0.091 nan 8.230 nan 0.000 0.468 141 A N 0.627 123.456 122.820 0.016 0.000 1.865 141 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 141 A C 2.397 179.992 177.584 0.017 0.000 1.191 141 A CA 2.236 54.286 52.037 0.021 0.000 0.623 141 A CB -0.898 18.118 19.000 0.026 0.000 0.826 141 A HN 0.246 nan 8.150 nan 0.000 0.444 142 V N 0.942 120.864 119.914 0.013 0.000 2.407 142 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 142 V C 2.411 178.508 176.094 0.005 0.000 1.055 142 V CA 2.705 65.011 62.300 0.009 0.000 1.049 142 V CB -0.948 30.879 31.823 0.007 0.000 0.662 142 V HN 0.844 nan 8.190 nan 0.000 0.455 143 Q N -0.638 119.164 119.800 0.003 0.000 2.291 143 Q HA -0.136 4.203 4.340 -0.001 0.000 0.205 143 Q C 2.061 178.062 176.000 0.001 0.000 0.970 143 Q CA 2.052 57.853 55.803 -0.002 0.000 0.876 143 Q CB -0.360 28.375 28.738 -0.006 0.000 0.935 143 Q HN 0.636 nan 8.270 nan 0.000 0.455 144 M N -0.120 119.485 119.600 0.009 0.000 2.388 144 M HA 0.084 4.563 4.480 -0.001 0.000 0.265 144 M C 1.829 178.141 176.300 0.020 0.000 1.088 144 M CA 0.848 56.157 55.300 0.015 0.000 1.134 144 M CB 0.188 32.801 32.600 0.022 0.000 1.384 144 M HN 0.210 nan 8.290 nan 0.000 0.447 145 I N 0.473 121.054 120.570 0.018 0.000 2.400 145 I HA -0.073 4.097 4.170 -0.001 0.000 0.248 145 I C 1.353 177.478 176.117 0.013 0.000 1.109 145 I CA -0.009 61.302 61.300 0.020 0.000 1.425 145 I CB -0.027 37.985 38.000 0.019 0.000 1.094 145 I HN 0.312 nan 8.210 nan 0.000 0.425 146 M N 2.045 121.649 119.600 0.007 0.000 2.261 146 M HA 0.046 4.526 4.480 -0.001 0.000 0.350 146 M C -1.987 174.313 176.300 0.000 0.000 1.343 146 M CA -0.756 54.544 55.300 0.001 0.000 1.003 146 M CB -0.274 32.323 32.600 -0.005 0.000 1.848 146 M HN -0.220 nan 8.290 nan 0.000 0.456 147 P HA -0.133 nan 4.420 nan 0.000 0.222 147 P C 0.586 177.882 177.300 -0.007 0.000 1.147 147 P CA 1.325 64.426 63.100 0.001 0.000 0.790 147 P CB -0.247 31.453 31.700 0.000 0.000 0.780 148 N N -0.681 118.009 118.700 -0.015 0.000 2.521 148 N HA -0.021 4.719 4.740 -0.001 0.000 0.188 148 N C 1.746 177.241 175.510 -0.026 0.000 1.146 148 N CA 0.926 53.961 53.050 -0.025 0.000 0.893 148 N CB -1.275 37.192 38.487 -0.033 0.000 0.975 148 N HN 0.076 nan 8.380 nan 0.000 0.451 149 G N 1.134 109.924 108.800 -0.016 0.000 2.476 149 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 149 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 149 G C 1.673 176.560 174.900 -0.023 0.000 1.164 149 G CA 1.481 46.571 45.100 -0.017 0.000 0.768 149 G HN 0.539 nan 8.290 nan 0.000 0.560 150 A N 1.196 124.006 122.820 -0.017 0.000 1.858 150 A HA 0.278 4.598 4.320 -0.001 0.000 0.216 150 A C 2.875 180.438 177.584 -0.035 0.000 1.190 150 A CA 2.424 54.447 52.037 -0.023 0.000 0.617 150 A CB -0.997 17.998 19.000 -0.009 0.000 0.827 150 A HN 0.915 nan 8.150 nan 0.000 0.443 151 A N -0.115 122.683 122.820 -0.036 0.000 1.917 151 A HA 0.067 4.387 4.320 -0.001 0.000 0.219 151 A C 2.499 180.039 177.584 -0.074 0.000 1.182 151 A CA 2.417 54.423 52.037 -0.053 0.000 0.633 151 A CB -1.046 17.923 19.000 -0.052 0.000 0.819 151 A HN 1.122 nan 8.150 nan 0.000 0.448 152 A N -0.838 121.943 122.820 -0.065 0.000 1.898 152 A HA 0.035 4.354 4.320 -0.001 0.000 0.216 152 A C 2.235 179.774 177.584 -0.075 0.000 1.181 152 A CA 1.684 53.678 52.037 -0.072 0.000 0.620 152 A CB -0.860 18.106 19.000 -0.055 0.000 0.819 152 A HN 0.386 nan 8.150 nan 0.000 0.442 153 V N 0.244 120.120 119.914 -0.062 0.000 2.343 153 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 153 V C 2.417 178.464 176.094 -0.079 0.000 1.051 153 V CA 2.063 64.326 62.300 -0.062 0.000 1.036 153 V CB -0.623 31.171 31.823 -0.050 0.000 0.654 153 V HN 0.582 nan 8.190 nan 0.000 0.451 154 I N 0.511 121.032 120.570 -0.082 0.000 2.226 154 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 154 I C 2.603 178.630 176.117 -0.150 0.000 1.100 154 I CA 1.678 62.920 61.300 -0.097 0.000 1.374 154 I CB -0.971 36.987 38.000 -0.071 0.000 1.057 154 I HN 0.393 nan 8.210 nan 0.000 0.413 155 G N 0.985 109.681 108.800 -0.172 0.000 2.418 155 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.217 155 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.217 155 G C 1.639 176.422 174.900 -0.196 0.000 1.158 155 G CA 0.512 45.467 45.100 -0.243 0.000 0.771 155 G HN 0.196 nan 8.290 nan 0.000 0.545 156 L N 0.449 121.591 121.223 -0.136 0.000 2.046 156 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 156 L C 2.915 179.722 176.870 -0.104 0.000 1.077 156 L CA 2.393 57.170 54.840 -0.104 0.000 0.747 156 L CB -0.648 41.364 42.059 -0.078 0.000 0.896 156 L HN 0.446 nan 8.230 nan 0.000 0.432 157 Q N -0.927 118.806 119.800 -0.112 0.000 2.084 157 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 157 Q C 1.879 177.776 176.000 -0.173 0.000 0.978 157 Q CA 1.805 57.538 55.803 -0.117 0.000 0.844 157 Q CB -0.071 28.603 28.738 -0.107 0.000 0.898 157 Q HN 0.576 nan 8.270 nan 0.000 0.426 158 L N -1.182 119.907 121.223 -0.223 0.000 2.590 158 L HA 0.317 4.657 4.340 -0.001 0.000 0.227 158 L C 0.965 177.754 176.870 -0.136 0.000 1.099 158 L CA 0.303 54.934 54.840 -0.347 0.000 0.872 158 L CB 0.497 42.299 42.059 -0.428 0.000 1.088 158 L HN 0.466 nan 8.230 nan 0.000 0.479 159 G N 1.283 110.017 108.800 -0.111 0.000 2.248 159 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.263 159 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.263 159 G C 0.201 175.065 174.900 -0.061 0.000 1.082 159 G CA 0.019 45.091 45.100 -0.046 0.000 0.863 159 G HN 0.439 nan 8.290 nan 0.000 0.495 160 A N -0.051 122.544 122.820 -0.375 0.000 2.354 160 A HA 0.731 5.051 4.320 -0.001 0.000 0.281 160 A C 1.164 178.573 177.584 -0.293 0.000 1.174 160 A CA -0.007 51.633 52.037 -0.661 0.000 0.828 160 A CB 0.290 18.600 19.000 -1.149 0.000 1.099 160 A HN 0.542 nan 8.150 nan 0.000 0.516 161 R N 2.389 122.796 120.500 -0.154 0.000 2.535 161 R HA 0.215 4.555 4.340 -0.001 0.000 0.323 161 R C 0.767 177.028 176.300 -0.065 0.000 0.979 161 R CA 0.622 56.672 56.100 -0.083 0.000 1.120 161 R CB 0.834 31.117 30.300 -0.027 0.000 1.306 161 R HN 0.681 nan 8.270 nan 0.000 0.540 162 A N 1.208 123.979 122.820 -0.082 0.000 2.507 162 A HA 0.492 4.812 4.320 -0.001 0.000 0.270 162 A C 0.405 177.943 177.584 -0.076 0.000 1.318 162 A CA 0.123 52.129 52.037 -0.052 0.000 0.924 162 A CB 0.323 19.317 19.000 -0.010 0.000 1.061 162 A HN 0.298 nan 8.150 nan 0.000 0.516 163 G N -1.284 107.453 108.800 -0.104 0.000 3.014 163 G HA2 0.230 4.190 3.960 -0.001 0.000 0.683 163 G HA3 0.230 4.190 3.960 -0.001 0.000 0.683 163 G C -1.111 173.711 174.900 -0.130 0.000 1.271 163 G CA -0.416 44.625 45.100 -0.099 0.000 0.843 163 G HN 0.800 nan 8.290 nan 0.000 0.612 164 V N 4.403 124.247 119.914 -0.117 0.000 2.407 164 V HA 0.802 4.921 4.120 -0.001 0.000 0.291 164 V C 0.454 176.493 176.094 -0.091 0.000 1.018 164 V CA -0.566 61.662 62.300 -0.120 0.000 0.842 164 V CB 1.647 33.393 31.823 -0.127 0.000 0.996 164 V HN 0.953 nan 8.190 nan 0.000 0.426 165 M N 3.920 123.471 119.600 -0.082 0.000 2.530 165 M HA 0.617 5.097 4.480 -0.001 0.000 0.307 165 M C -1.128 175.133 176.300 -0.066 0.000 1.161 165 M CA -0.172 55.080 55.300 -0.081 0.000 0.903 165 M CB 2.579 35.121 32.600 -0.096 0.000 1.711 165 M HN 0.590 nan 8.290 nan 0.000 0.451 166 T N 4.960 119.472 114.554 -0.070 0.000 3.009 166 T HA 0.465 4.815 4.350 -0.001 0.000 0.346 166 T C -2.648 172.014 174.700 -0.062 0.000 1.092 166 T CA -0.836 61.234 62.100 -0.050 0.000 1.080 166 T CB 0.837 69.682 68.868 -0.039 0.000 1.037 166 T HN 0.467 nan 8.240 nan 0.000 0.487 167 P HA 0.395 nan 4.420 nan 0.000 0.286 167 P C -0.468 176.806 177.300 -0.042 0.000 1.269 167 P CA -0.537 62.526 63.100 -0.061 0.000 0.787 167 P CB 1.257 32.958 31.700 0.002 0.000 0.920 168 V N 0.829 120.707 119.914 -0.061 0.000 2.384 168 V HA 0.650 4.769 4.120 -0.001 0.000 0.287 168 V C 0.401 176.408 176.094 -0.145 0.000 1.020 168 V CA -0.391 61.872 62.300 -0.063 0.000 0.850 168 V CB 1.104 32.909 31.823 -0.030 0.000 0.987 168 V HN 0.640 nan 8.190 nan 0.000 0.436 169 S N 3.004 118.601 115.700 -0.172 0.000 2.941 169 S HA 0.751 5.220 4.470 -0.001 0.000 0.248 169 S C 0.622 175.161 174.600 -0.103 0.000 0.962 169 S CA 0.558 58.524 58.200 -0.391 0.000 1.092 169 S CB 0.261 63.120 63.200 -0.568 0.000 1.113 169 S HN 2.654 nan 8.310 nan 0.000 0.512 170 A N 2.270 125.093 122.820 0.005 0.000 5.382 170 A HA -0.371 3.948 4.320 -0.001 0.000 0.307 170 A C 1.233 178.833 177.584 0.026 0.000 1.937 170 A CA 1.669 53.748 52.037 0.070 0.000 0.715 170 A CB -1.892 17.211 19.000 0.173 0.000 1.293 170 A HN 0.651 nan 8.150 nan 0.000 0.374 171 Q N 0.738 120.542 119.800 0.007 0.000 2.488 171 Q HA 0.159 4.498 4.340 -0.001 0.000 0.211 171 Q C 1.810 177.845 176.000 0.058 0.000 0.967 171 Q CA 1.426 57.263 55.803 0.057 0.000 0.926 171 Q CB -0.140 28.668 28.738 0.115 0.000 0.992 171 Q HN 1.055 nan 8.270 nan 0.000 0.506 172 S N -2.147 113.546 115.700 -0.012 0.000 2.557 172 S HA 0.169 4.639 4.470 -0.001 0.000 0.223 172 S C 1.424 175.997 174.600 -0.045 0.000 0.969 172 S CA -0.161 57.997 58.200 -0.070 0.000 0.927 172 S CB 0.309 63.452 63.200 -0.095 0.000 0.806 172 S HN 0.098 nan 8.310 nan 0.000 0.489 173 S N 2.027 117.714 115.700 -0.022 0.000 2.382 173 S HA 0.003 4.472 4.470 -0.001 0.000 0.228 173 S C 2.042 176.644 174.600 0.003 0.000 1.027 173 S CA 1.330 59.520 58.200 -0.016 0.000 0.991 173 S CB -0.877 62.318 63.200 -0.008 0.000 0.823 173 S HN 0.750 nan 8.310 nan 0.000 0.469 174 G N 0.768 109.572 108.800 0.008 0.000 2.421 174 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.217 174 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.217 174 G C 1.533 176.442 174.900 0.015 0.000 1.143 174 G CA 0.819 45.929 45.100 0.017 0.000 0.784 174 G HN 0.508 nan 8.290 nan 0.000 0.541 175 S N -0.176 115.519 115.700 -0.009 0.000 2.377 175 S HA -0.025 4.445 4.470 -0.001 0.000 0.223 175 S C 2.078 176.657 174.600 -0.034 0.000 1.030 175 S CA 0.996 59.181 58.200 -0.024 0.000 0.970 175 S CB -0.103 63.052 63.200 -0.074 0.000 0.830 175 S HN 0.575 nan 8.310 nan 0.000 0.473 176 E N 1.117 121.299 120.200 -0.031 0.000 2.160 176 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 176 E C 2.046 178.693 176.600 0.077 0.000 0.991 176 E CA 0.970 57.365 56.400 -0.008 0.000 0.810 176 E CB -0.173 29.544 29.700 0.029 0.000 0.742 176 E HN 0.478 nan 8.360 nan 0.000 0.466 177 A N 0.837 123.704 122.820 0.077 0.000 1.902 177 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 177 A C 2.089 179.728 177.584 0.092 0.000 1.181 177 A CA 1.257 53.354 52.037 0.100 0.000 0.623 177 A CB -0.514 18.523 19.000 0.060 0.000 0.818 177 A HN 0.302 nan 8.150 nan 0.000 0.443 178 I N -0.326 120.278 120.570 0.056 0.000 2.394 178 I HA -0.209 3.960 4.170 -0.001 0.000 0.251 178 I C 2.902 179.036 176.117 0.027 0.000 1.136 178 I CA 0.818 62.153 61.300 0.058 0.000 1.425 178 I CB -0.343 37.700 38.000 0.072 0.000 1.079 178 I HN 0.335 nan 8.210 nan 0.000 0.425 179 A N 0.495 123.283 122.820 -0.053 0.000 1.908 179 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 179 A C 2.222 179.771 177.584 -0.060 0.000 1.181 179 A CA 1.645 53.605 52.037 -0.127 0.000 0.627 179 A CB -0.862 17.977 19.000 -0.268 0.000 0.818 179 A HN 0.418 nan 8.150 nan 0.000 0.445 180 H N -0.760 118.347 119.070 0.061 0.000 2.428 180 H HA 0.101 4.657 4.556 -0.001 0.000 0.296 180 H C 2.516 177.871 175.328 0.044 0.000 1.062 180 H CA 1.136 57.213 56.048 0.048 0.000 1.350 180 H CB -0.356 29.414 29.762 0.013 0.000 1.403 180 H HN 0.537 nan 8.280 nan 0.000 0.533 181 A N 0.730 123.646 122.820 0.161 0.000 1.933 181 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 181 A C 2.341 179.988 177.584 0.104 0.000 1.175 181 A CA 1.349 53.452 52.037 0.111 0.000 0.628 181 A CB -0.977 18.088 19.000 0.109 0.000 0.814 181 A HN 0.567 nan 8.150 nan 0.000 0.444 182 W N 0.691 121.948 121.300 -0.072 0.000 2.379 182 W HA -0.128 4.532 4.660 -0.001 0.000 0.307 182 W C 2.307 178.734 176.519 -0.154 0.000 1.200 182 W CA 1.766 59.037 57.345 -0.123 0.000 1.297 182 W CB -0.204 29.148 29.460 -0.181 0.000 1.140 182 W HN 0.219 nan 8.180 nan 0.000 0.507 183 R N -0.074 120.391 120.500 -0.060 0.000 2.096 183 R HA -0.281 4.058 4.340 -0.001 0.000 0.240 183 R C 2.190 178.329 176.300 -0.270 0.000 1.139 183 R CA 2.148 58.081 56.100 -0.278 0.000 0.952 183 R CB -0.854 29.442 30.300 -0.007 0.000 0.854 183 R HN 0.248 nan 8.270 nan 0.000 0.436 184 Q N 0.876 120.605 119.800 -0.119 0.000 2.124 184 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 184 Q C 1.809 177.727 176.000 -0.136 0.000 0.977 184 Q CA 1.458 57.207 55.803 -0.091 0.000 0.850 184 Q CB -0.032 28.689 28.738 -0.027 0.000 0.901 184 Q HN 0.373 nan 8.270 nan 0.000 0.429 185 I N -0.424 120.035 120.570 -0.185 0.000 2.193 185 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 185 I C 2.133 178.085 176.117 -0.275 0.000 1.084 185 I CA 1.100 62.285 61.300 -0.192 0.000 1.365 185 I CB -0.399 37.509 38.000 -0.153 0.000 1.064 185 I HN 0.234 nan 8.210 nan 0.000 0.410 186 V N -1.673 117.925 119.914 -0.527 0.000 2.759 186 V HA -0.189 3.930 4.120 -0.001 0.000 0.256 186 V C 2.096 178.019 176.094 -0.285 0.000 1.080 186 V CA 1.447 63.427 62.300 -0.533 0.000 1.101 186 V CB -0.674 30.442 31.823 -1.177 0.000 0.698 186 V HN 0.376 nan 8.190 nan 0.000 0.477 187 M N 0.561 119.999 119.600 -0.268 0.000 2.562 187 M HA 0.269 4.748 4.480 -0.001 0.000 0.257 187 M C 1.643 177.899 176.300 -0.073 0.000 1.099 187 M CA 1.157 56.381 55.300 -0.127 0.000 1.099 187 M CB 0.099 32.632 32.600 -0.112 0.000 1.427 187 M HN 0.731 nan 8.290 nan 0.000 0.489 188 G N 0.676 109.425 108.800 -0.084 0.000 2.144 188 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.218 188 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.218 188 G C 0.085 174.963 174.900 -0.038 0.000 0.988 188 G CA 0.340 45.412 45.100 -0.047 0.000 0.659 188 G HN 0.476 nan 8.290 nan 0.000 0.522 189 D N 0.288 120.659 120.400 -0.048 0.000 2.350 189 D HA 0.553 5.192 4.640 -0.001 0.000 0.213 189 D C 1.129 177.414 176.300 -0.025 0.000 1.031 189 D CA 1.411 55.391 54.000 -0.033 0.000 0.861 189 D CB 0.550 41.328 40.800 -0.037 0.000 0.926 189 D HN 0.994 nan 8.370 nan 0.000 0.520 190 A N 0.424 123.226 122.820 -0.031 0.000 2.612 190 A HA 0.441 4.760 4.320 -0.001 0.000 0.293 190 A C -0.993 176.569 177.584 -0.038 0.000 1.075 190 A CA -0.721 51.307 52.037 -0.015 0.000 0.680 190 A CB 1.072 20.073 19.000 0.002 0.000 1.279 190 A HN -0.010 nan 8.150 nan 0.000 0.411 191 D N -0.426 119.941 120.400 -0.055 0.000 2.441 191 D HA 0.294 4.933 4.640 -0.001 0.000 0.210 191 D C 0.108 176.261 176.300 -0.245 0.000 1.102 191 D CA 0.490 54.416 54.000 -0.123 0.000 0.840 191 D CB 0.855 41.601 40.800 -0.090 0.000 0.990 191 D HN 0.886 nan 8.370 nan 0.000 0.505 192 V N -0.439 119.377 119.914 -0.164 0.000 2.932 192 V HA 0.786 4.905 4.120 -0.001 0.000 0.307 192 V C -1.952 174.241 176.094 0.166 0.000 1.147 192 V CA -0.469 61.764 62.300 -0.111 0.000 0.951 192 V CB 1.703 33.335 31.823 -0.319 0.000 1.031 192 V HN 0.379 nan 8.190 nan 0.000 0.426 193 A N 5.246 128.180 122.820 0.191 0.000 2.437 193 A HA 0.770 5.089 4.320 -0.001 0.000 0.293 193 A C -1.237 176.508 177.584 0.268 0.000 1.038 193 A CA -0.457 51.727 52.037 0.245 0.000 0.708 193 A CB 1.894 20.969 19.000 0.126 0.000 1.251 193 A HN 1.143 nan 8.150 nan 0.000 0.409 194 V N 2.269 122.391 119.914 0.347 0.000 2.432 194 V HA 0.441 4.560 4.120 -0.001 0.000 0.271 194 V C 0.256 176.431 176.094 0.135 0.000 1.046 194 V CA 0.060 62.515 62.300 0.258 0.000 0.945 194 V CB 0.091 32.096 31.823 0.302 0.000 0.992 194 V HN 1.249 nan 8.190 nan 0.000 0.471 195 C N 2.939 122.308 119.300 0.116 0.000 3.090 195 C HA 1.092 5.552 4.460 -0.001 0.000 0.305 195 C C 0.377 175.411 174.990 0.073 0.000 1.292 195 C CA -0.021 59.048 59.018 0.084 0.000 1.482 195 C CB 1.056 28.851 27.740 0.092 0.000 1.897 195 C HN 1.284 nan 8.230 nan 0.000 0.469 196 G N 0.135 108.969 108.800 0.057 0.000 2.491 196 G HA2 0.643 4.602 3.960 -0.001 0.000 0.183 196 G HA3 0.643 4.602 3.960 -0.001 0.000 0.183 196 G C -0.569 174.352 174.900 0.035 0.000 1.221 196 G CA 0.370 45.499 45.100 0.047 0.000 0.996 196 G HN 2.275 nan 8.290 nan 0.000 0.474 197 G N -1.081 107.737 108.800 0.031 0.000 2.742 197 G HA2 0.822 4.782 3.960 -0.001 0.000 0.296 197 G HA3 0.822 4.782 3.960 -0.001 0.000 0.296 197 G C -0.891 174.027 174.900 0.030 0.000 1.436 197 G CA 0.566 45.682 45.100 0.028 0.000 0.928 197 G HN 1.928 nan 8.290 nan 0.000 0.520 198 V N -1.636 118.298 119.914 0.032 0.000 3.001 198 V HA 1.013 5.132 4.120 -0.001 0.000 0.314 198 V C -0.834 175.295 176.094 0.059 0.000 1.099 198 V CA -1.178 61.149 62.300 0.046 0.000 0.989 198 V CB 2.038 33.882 31.823 0.036 0.000 1.040 198 V HN 0.892 nan 8.190 nan 0.000 0.434 199 E N 0.505 120.758 120.200 0.089 0.000 2.392 199 E HA 0.693 5.042 4.350 -0.001 0.000 0.279 199 E C -0.035 176.633 176.600 0.114 0.000 0.964 199 E CA 0.236 56.679 56.400 0.071 0.000 0.777 199 E CB 1.939 31.651 29.700 0.019 0.000 1.249 199 E HN 1.232 nan 8.360 nan 0.000 0.449 200 G N 1.731 110.543 108.800 0.020 0.000 2.621 200 G HA2 0.497 4.457 3.960 -0.001 0.000 0.271 200 G HA3 0.497 4.457 3.960 -0.001 0.000 0.271 200 G C -2.179 172.531 174.900 -0.316 0.000 1.236 200 G CA -0.861 44.152 45.100 -0.145 0.000 0.958 200 G HN 0.451 nan 8.290 nan 0.000 0.512 201 P HA 0.352 nan 4.420 nan 0.000 0.280 201 P C -0.044 177.073 177.300 -0.305 0.000 1.272 201 P CA -0.751 62.118 63.100 -0.385 0.000 0.819 201 P CB 1.005 32.428 31.700 -0.462 0.000 1.122 202 I N 0.906 121.338 120.570 -0.231 0.000 2.668 202 I HA 0.046 4.216 4.170 -0.001 0.000 0.285 202 I C 1.152 177.226 176.117 -0.072 0.000 1.168 202 I CA 1.102 62.260 61.300 -0.238 0.000 1.424 202 I CB -0.124 37.742 38.000 -0.223 0.000 1.377 202 I HN 0.243 nan 8.210 nan 0.000 0.560 203 E N 3.424 123.643 120.200 0.032 0.000 2.449 203 E HA 0.467 4.817 4.350 -0.001 0.000 0.278 203 E C 0.170 177.010 176.600 0.400 0.000 0.992 203 E CA -0.512 56.027 56.400 0.231 0.000 0.807 203 E CB 1.928 31.696 29.700 0.113 0.000 1.350 203 E HN 0.494 nan 8.360 nan 0.000 0.462 204 A N 1.279 124.374 122.820 0.459 0.000 1.873 204 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 204 A C 1.759 179.305 177.584 -0.063 0.000 1.186 204 A CA 1.049 53.156 52.037 0.116 0.000 0.616 204 A CB -0.276 18.583 19.000 -0.235 0.000 0.823 204 A HN 0.412 nan 8.150 nan 0.000 0.442 205 L N 0.210 121.392 121.223 -0.069 0.000 2.056 205 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 205 L C -0.671 176.223 176.870 0.041 0.000 1.078 205 L CA 2.030 56.817 54.840 -0.088 0.000 0.749 205 L CB -1.961 40.047 42.059 -0.084 0.000 0.901 205 L HN 0.173 nan 8.230 nan 0.000 0.433 206 P HA -0.125 nan 4.420 nan 0.000 0.216 206 P C 2.190 179.799 177.300 0.514 0.000 1.153 206 P CA 1.321 64.620 63.100 0.330 0.000 0.848 206 P CB 0.134 32.012 31.700 0.297 0.000 0.787 207 I N -0.250 120.586 120.570 0.444 0.000 2.127 207 I HA -0.310 3.860 4.170 -0.001 0.000 0.241 207 I C 2.395 178.619 176.117 0.179 0.000 1.075 207 I CA 1.750 63.273 61.300 0.370 0.000 1.334 207 I CB -0.923 37.256 38.000 0.298 0.000 1.040 207 I HN -0.089 nan 8.210 nan 0.000 0.405 208 A N 0.629 123.486 122.820 0.063 0.000 1.892 208 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 208 A C 2.519 180.101 177.584 -0.003 0.000 1.188 208 A CA 2.251 54.273 52.037 -0.025 0.000 0.631 208 A CB -1.011 17.901 19.000 -0.146 0.000 0.822 208 A HN 0.479 nan 8.150 nan 0.000 0.447 209 A N -1.354 121.473 122.820 0.011 0.000 1.877 209 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 209 A C 1.974 179.519 177.584 -0.064 0.000 1.186 209 A CA 1.603 53.601 52.037 -0.066 0.000 0.620 209 A CB -0.731 18.189 19.000 -0.133 0.000 0.822 209 A HN 0.474 nan 8.150 nan 0.000 0.443 210 F N -0.119 119.891 119.950 0.101 0.000 2.259 210 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 210 F C 2.858 178.644 175.800 -0.024 0.000 1.088 210 F CA 1.285 59.352 58.000 0.111 0.000 1.358 210 F CB -0.404 38.692 39.000 0.160 0.000 1.040 210 F HN 0.146 nan 8.300 nan 0.000 0.505 211 S N -0.320 115.438 115.700 0.097 0.000 2.370 211 S HA -0.172 4.298 4.470 -0.001 0.000 0.226 211 S C 2.075 176.671 174.600 -0.007 0.000 1.033 211 S CA 1.078 59.270 58.200 -0.012 0.000 1.011 211 S CB -0.193 62.996 63.200 -0.018 0.000 0.852 211 S HN 0.149 nan 8.310 nan 0.000 0.457 212 M N 0.568 120.167 119.600 -0.002 0.000 2.549 212 M HA 0.118 4.598 4.480 -0.001 0.000 0.260 212 M C 1.435 177.727 176.300 -0.013 0.000 1.076 212 M CA 0.965 56.254 55.300 -0.019 0.000 1.090 212 M CB -1.009 31.569 32.600 -0.036 0.000 1.418 212 M HN 0.400 nan 8.290 nan 0.000 0.486 213 M N -1.512 118.096 119.600 0.013 0.000 2.502 213 M HA 0.080 4.559 4.480 -0.001 0.000 0.243 213 M C 0.437 176.757 176.300 0.033 0.000 1.130 213 M CA 0.134 55.449 55.300 0.024 0.000 1.055 213 M CB 0.263 32.906 32.600 0.071 0.000 1.457 213 M HN 0.114 nan 8.290 nan 0.000 0.488 214 R N -0.234 120.274 120.500 0.014 0.000 3.774 214 R HA -0.165 4.175 4.340 -0.001 0.000 0.320 214 R C 0.394 176.693 176.300 -0.002 0.000 1.175 214 R CA 0.710 56.804 56.100 -0.009 0.000 0.849 214 R CB -1.956 28.341 30.300 -0.006 0.000 1.365 214 R HN 0.534 nan 8.270 nan 0.000 0.502 215 A N -0.369 122.461 122.820 0.017 0.000 2.195 215 A HA 0.262 4.582 4.320 -0.001 0.000 0.210 215 A C 0.999 178.438 177.584 -0.241 0.000 1.165 215 A CA 0.333 52.410 52.037 0.067 0.000 0.806 215 A CB 0.297 19.535 19.000 0.396 0.000 0.847 215 A HN 0.234 nan 8.150 nan 0.000 0.482 216 M N -0.079 119.272 119.600 -0.414 0.000 2.472 216 M HA 0.315 4.794 4.480 -0.001 0.000 0.331 216 M C 0.164 176.250 176.300 -0.356 0.000 1.170 216 M CA -0.407 54.477 55.300 -0.693 0.000 1.009 216 M CB 1.857 34.000 32.600 -0.760 0.000 1.672 216 M HN 0.108 nan 8.290 nan 0.000 0.453 217 S N 0.695 116.203 115.700 -0.320 0.000 2.560 217 S HA 0.119 4.589 4.470 -0.001 0.000 0.284 217 S C 0.804 175.315 174.600 -0.148 0.000 1.327 217 S CA -0.038 58.057 58.200 -0.176 0.000 1.055 217 S CB 0.276 63.398 63.200 -0.130 0.000 0.868 217 S HN 0.814 nan 8.310 nan 0.000 0.506 218 T N 1.815 116.312 114.554 -0.094 0.000 3.200 218 T HA 0.282 4.632 4.350 -0.001 0.000 0.284 218 T C 0.483 175.159 174.700 -0.040 0.000 1.009 218 T CA -0.454 61.608 62.100 -0.064 0.000 0.907 218 T CB -0.168 68.669 68.868 -0.052 0.000 1.120 218 T HN 0.586 nan 8.240 nan 0.000 0.534 219 R N 1.837 122.312 120.500 -0.041 0.000 3.688 219 R HA 0.251 4.590 4.340 -0.001 0.000 0.194 219 R C 0.215 176.505 176.300 -0.017 0.000 1.677 219 R CA -0.008 56.077 56.100 -0.025 0.000 1.351 219 R CB -0.814 29.472 30.300 -0.023 0.000 1.338 219 R HN 0.452 nan 8.270 nan 0.000 0.731 220 N N 0.353 119.047 118.700 -0.010 0.000 2.457 220 N HA -0.131 4.609 4.740 -0.001 0.000 0.180 220 N C 0.718 176.234 175.510 0.011 0.000 1.050 220 N CA 0.840 53.891 53.050 0.000 0.000 0.906 220 N CB 0.266 38.758 38.487 0.009 0.000 0.968 220 N HN 0.570 nan 8.380 nan 0.000 0.445 221 D N 0.723 121.129 120.400 0.009 0.000 2.234 221 D HA -0.092 4.548 4.640 -0.001 0.000 0.205 221 D C -0.042 176.267 176.300 0.016 0.000 0.962 221 D CA 0.894 54.902 54.000 0.014 0.000 0.855 221 D CB -0.013 40.793 40.800 0.010 0.000 0.951 221 D HN 0.280 nan 8.370 nan 0.000 0.500 222 E N 0.825 121.031 120.200 0.011 0.000 2.795 222 E HA 0.209 4.558 4.350 -0.001 0.000 0.226 222 E C -2.137 174.470 176.600 0.012 0.000 1.088 222 E CA -1.762 54.647 56.400 0.014 0.000 0.812 222 E CB 2.125 31.831 29.700 0.011 0.000 1.328 222 E HN -0.038 nan 8.360 nan 0.000 0.410 223 P HA -0.201 nan 4.420 nan 0.000 0.215 223 P C 0.875 178.180 177.300 0.009 0.000 1.153 223 P CA 1.183 64.288 63.100 0.007 0.000 0.853 223 P CB 0.345 32.056 31.700 0.019 0.000 0.788 224 E N -0.627 119.588 120.200 0.025 0.000 2.268 224 E HA -0.108 4.242 4.350 -0.001 0.000 0.195 224 E C 1.741 178.354 176.600 0.022 0.000 0.995 224 E CA 0.628 57.045 56.400 0.028 0.000 0.836 224 E CB -0.215 29.508 29.700 0.037 0.000 0.763 224 E HN 0.318 nan 8.360 nan 0.000 0.491 225 R N -0.024 120.486 120.500 0.017 0.000 2.310 225 R HA 0.172 4.512 4.340 -0.001 0.000 0.202 225 R C 1.838 178.142 176.300 0.006 0.000 0.933 225 R CA 0.360 56.469 56.100 0.014 0.000 1.054 225 R CB 0.304 30.611 30.300 0.012 0.000 0.985 225 R HN 0.034 nan 8.270 nan 0.000 0.489 226 A N 0.810 123.629 122.820 -0.002 0.000 1.898 226 A HA -0.009 4.311 4.320 -0.001 0.000 0.214 226 A C 1.309 178.882 177.584 -0.019 0.000 1.183 226 A CA 0.576 52.603 52.037 -0.017 0.000 0.622 226 A CB 0.117 19.099 19.000 -0.029 0.000 0.824 226 A HN 0.149 nan 8.150 nan 0.000 0.444 227 S N 0.623 116.316 115.700 -0.012 0.000 2.405 227 S HA 0.391 4.861 4.470 -0.001 0.000 0.291 227 S C 0.064 174.661 174.600 -0.005 0.000 1.137 227 S CA -0.567 57.624 58.200 -0.015 0.000 1.061 227 S CB -0.271 62.921 63.200 -0.014 0.000 1.001 227 S HN 0.399 nan 8.310 nan 0.000 0.507 228 R N 4.750 125.245 120.500 -0.008 0.000 2.886 228 R HA 0.265 4.605 4.340 -0.001 0.000 0.306 228 R C -2.788 173.523 176.300 0.018 0.000 1.300 228 R CA -1.670 54.445 56.100 0.025 0.000 1.441 228 R CB 0.788 31.103 30.300 0.025 0.000 1.328 228 R HN 0.454 nan 8.270 nan 0.000 0.629 229 P HA -0.018 nan 4.420 nan 0.000 0.268 229 P C 0.006 177.310 177.300 0.006 0.000 1.204 229 P CA 0.212 63.188 63.100 -0.206 0.000 0.768 229 P CB 0.297 31.791 31.700 -0.344 0.000 0.842 230 F N -1.415 118.603 119.950 0.114 0.000 2.778 230 F HA -0.264 4.263 4.527 -0.001 0.000 0.399 230 F C 0.753 176.729 175.800 0.293 0.000 0.604 230 F CA 1.363 59.472 58.000 0.182 0.000 1.106 230 F CB -2.482 36.596 39.000 0.130 0.000 1.643 230 F HN 0.285 nan 8.300 nan 0.000 0.290 231 D N 0.967 121.580 120.400 0.355 0.000 2.389 231 D HA 0.152 4.791 4.640 -0.001 0.000 0.247 231 D C 1.259 177.597 176.300 0.062 0.000 1.128 231 D CA -0.044 54.035 54.000 0.131 0.000 0.884 231 D CB 0.794 41.634 40.800 0.068 0.000 1.194 231 D HN 0.018 nan 8.370 nan 0.000 0.441 232 K N 2.031 122.434 120.400 0.005 0.000 2.160 232 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 232 K C 0.048 176.649 176.600 0.002 0.000 1.047 232 K CA 1.121 57.412 56.287 0.007 0.000 0.930 232 K CB 0.129 32.620 32.500 -0.016 0.000 0.720 232 K HN 0.582 nan 8.250 nan 0.000 0.450 233 D N 0.867 121.262 120.400 -0.009 0.000 2.358 233 D HA -0.020 4.619 4.640 -0.001 0.000 0.224 233 D C 0.220 176.517 176.300 -0.005 0.000 1.123 233 D CA 0.003 53.998 54.000 -0.009 0.000 0.833 233 D CB 0.037 40.827 40.800 -0.017 0.000 0.946 233 D HN 0.312 nan 8.370 nan 0.000 0.505 234 R N 1.568 122.070 120.500 0.003 0.000 2.679 234 R HA 0.079 4.418 4.340 -0.001 0.000 0.268 234 R C -0.061 176.232 176.300 -0.013 0.000 1.044 234 R CA 0.264 56.361 56.100 -0.005 0.000 1.105 234 R CB 0.387 30.684 30.300 -0.006 0.000 0.989 234 R HN -0.174 nan 8.270 nan 0.000 0.447 235 D N 1.003 121.388 120.400 -0.025 0.000 2.760 235 D HA 0.231 4.870 4.640 -0.001 0.000 0.314 235 D C 0.247 176.515 176.300 -0.053 0.000 1.464 235 D CA 0.062 54.042 54.000 -0.033 0.000 0.797 235 D CB 0.398 41.176 40.800 -0.037 0.000 1.149 235 D HN 0.917 nan 8.370 nan 0.000 0.455 236 G N 0.506 109.281 108.800 -0.041 0.000 2.462 236 G HA2 0.139 4.099 3.960 -0.001 0.000 0.685 236 G HA3 0.139 4.099 3.960 -0.001 0.000 0.685 236 G C -0.549 174.318 174.900 -0.055 0.000 1.295 236 G CA -0.659 44.411 45.100 -0.051 0.000 0.941 236 G HN 0.377 nan 8.290 nan 0.000 0.554 237 F N -0.574 119.317 119.950 -0.098 0.000 2.370 237 F HA 0.817 5.343 4.527 -0.001 0.000 0.324 237 F C 0.217 175.912 175.800 -0.175 0.000 1.116 237 F CA -1.387 56.537 58.000 -0.128 0.000 1.123 237 F CB 1.329 40.274 39.000 -0.091 0.000 1.238 237 F HN 0.457 nan 8.300 nan 0.000 0.536 238 V N 3.417 123.412 119.914 0.134 0.000 2.495 238 V HA 0.258 4.378 4.120 -0.001 0.000 0.298 238 V C -0.490 175.741 176.094 0.229 0.000 1.031 238 V CA -0.776 61.542 62.300 0.029 0.000 0.871 238 V CB 1.171 32.992 31.823 -0.003 0.000 0.988 238 V HN 0.635 nan 8.190 nan 0.000 0.432 239 F N 2.928 122.956 119.950 0.129 0.000 2.538 239 F HA 0.536 5.062 4.527 -0.001 0.000 0.371 239 F C 1.053 176.837 175.800 -0.027 0.000 1.087 239 F CA -0.105 57.936 58.000 0.068 0.000 1.250 239 F CB 0.842 39.841 39.000 -0.002 0.000 1.110 239 F HN 0.545 nan 8.300 nan 0.000 0.570 240 G N 4.080 113.009 108.800 0.215 0.000 2.744 240 G HA2 0.366 4.326 3.960 -0.001 0.000 0.286 240 G HA3 0.366 4.326 3.960 -0.001 0.000 0.286 240 G C -1.094 173.838 174.900 0.054 0.000 1.497 240 G CA -0.723 44.425 45.100 0.079 0.000 1.070 240 G HN 0.517 nan 8.290 nan 0.000 0.539 241 E N 0.379 120.589 120.200 0.018 0.000 2.413 241 E HA 0.474 4.824 4.350 -0.001 0.000 0.263 241 E C 0.399 177.033 176.600 0.056 0.000 1.015 241 E CA 0.622 57.034 56.400 0.020 0.000 0.916 241 E CB 1.265 30.993 29.700 0.047 0.000 0.947 241 E HN 0.769 nan 8.360 nan 0.000 0.440 242 A N 1.750 124.603 122.820 0.055 0.000 2.566 242 A HA 0.780 5.100 4.320 -0.001 0.000 0.290 242 A C -0.881 176.742 177.584 0.064 0.000 1.071 242 A CA -0.143 51.930 52.037 0.061 0.000 0.658 242 A CB 1.963 20.991 19.000 0.048 0.000 1.285 242 A HN 0.606 nan 8.150 nan 0.000 0.427 243 G N -1.152 107.680 108.800 0.054 0.000 2.733 243 G HA2 0.918 4.877 3.960 -0.001 0.000 0.297 243 G HA3 0.918 4.877 3.960 -0.001 0.000 0.297 243 G C -0.900 174.018 174.900 0.030 0.000 1.422 243 G CA 0.305 45.431 45.100 0.043 0.000 0.942 243 G HN 2.186 nan 8.290 nan 0.000 0.510 244 A N 0.783 123.618 122.820 0.025 0.000 2.566 244 A HA 0.824 5.143 4.320 -0.001 0.000 0.297 244 A C -1.438 176.161 177.584 0.025 0.000 1.059 244 A CA -0.475 51.574 52.037 0.019 0.000 0.691 244 A CB 1.232 20.239 19.000 0.012 0.000 1.282 244 A HN 0.870 nan 8.150 nan 0.000 0.401 245 L N 2.136 123.376 121.223 0.027 0.000 2.409 245 L HA 0.807 5.147 4.340 -0.001 0.000 0.262 245 L C -0.263 176.635 176.870 0.046 0.000 0.992 245 L CA -0.703 54.165 54.840 0.045 0.000 0.817 245 L CB 2.371 44.465 42.059 0.058 0.000 1.350 245 L HN 0.980 nan 8.230 nan 0.000 0.411 246 M N 1.592 121.231 119.600 0.065 0.000 2.644 246 M HA 0.653 5.133 4.480 -0.001 0.000 0.304 246 M C -1.645 174.714 176.300 0.098 0.000 1.215 246 M CA -0.883 54.455 55.300 0.063 0.000 0.871 246 M CB 2.578 35.212 32.600 0.058 0.000 1.740 246 M HN 0.332 nan 8.290 nan 0.000 0.464 247 L N 3.804 125.077 121.223 0.083 0.000 2.272 247 L HA 0.718 5.057 4.340 -0.001 0.000 0.289 247 L C -0.950 175.966 176.870 0.078 0.000 1.032 247 L CA -0.589 54.312 54.840 0.102 0.000 0.810 247 L CB 1.215 43.312 42.059 0.064 0.000 1.205 247 L HN 0.809 nan 8.230 nan 0.000 0.422 248 I N 2.371 123.000 120.570 0.098 0.000 2.603 248 I HA 0.830 4.999 4.170 -0.001 0.000 0.300 248 I C -1.002 175.147 176.117 0.052 0.000 1.017 248 I CA -0.389 60.962 61.300 0.086 0.000 1.098 248 I CB 2.102 40.175 38.000 0.121 0.000 1.279 248 I HN 0.802 nan 8.210 nan 0.000 0.437 249 E N 2.330 122.553 120.200 0.037 0.000 2.423 249 E HA 0.305 4.654 4.350 -0.001 0.000 0.280 249 E C -1.040 175.580 176.600 0.033 0.000 1.030 249 E CA -0.954 55.442 56.400 -0.008 0.000 0.812 249 E CB 1.444 31.128 29.700 -0.026 0.000 1.313 249 E HN 0.768 nan 8.360 nan 0.000 0.456 250 T N -1.757 112.811 114.554 0.024 0.000 2.906 250 T HA -0.038 4.312 4.350 -0.001 0.000 0.320 250 T C 0.997 175.755 174.700 0.097 0.000 1.088 250 T CA 0.446 62.585 62.100 0.065 0.000 1.120 250 T CB 1.187 70.093 68.868 0.064 0.000 1.000 250 T HN 0.754 nan 8.240 nan 0.000 0.550 251 E N 0.707 120.964 120.200 0.095 0.000 2.110 251 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 251 E C 2.011 178.662 176.600 0.084 0.000 0.988 251 E CA 1.449 57.905 56.400 0.093 0.000 0.804 251 E CB -0.112 29.663 29.700 0.126 0.000 0.745 251 E HN 0.922 nan 8.360 nan 0.000 0.458 252 E N 0.043 120.296 120.200 0.087 0.000 2.058 252 E HA -0.309 4.041 4.350 -0.001 0.000 0.194 252 E C 2.189 178.831 176.600 0.069 0.000 0.997 252 E CA 1.421 57.864 56.400 0.071 0.000 0.801 252 E CB -0.365 29.377 29.700 0.070 0.000 0.746 252 E HN 0.450 nan 8.360 nan 0.000 0.450 253 H N -0.047 119.025 119.070 0.004 0.000 2.353 253 H HA -0.081 4.474 4.556 -0.000 0.000 0.300 253 H C 1.900 177.210 175.328 -0.031 0.000 1.090 253 H CA 1.709 57.750 56.048 -0.011 0.000 1.327 253 H CB -0.004 29.753 29.762 -0.007 0.000 1.383 253 H HN 0.324 nan 8.280 nan 0.000 0.508 254 A N 1.368 124.238 122.820 0.083 0.000 1.877 254 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 254 A C 2.490 180.042 177.584 -0.053 0.000 1.186 254 A CA 1.575 53.611 52.037 -0.001 0.000 0.620 254 A CB -0.561 18.431 19.000 -0.014 0.000 0.822 254 A HN 0.382 nan 8.150 nan 0.000 0.443 255 K N -0.389 119.998 120.400 -0.022 0.000 2.044 255 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 255 K C 2.113 178.682 176.600 -0.052 0.000 1.049 255 K CA 1.462 57.739 56.287 -0.017 0.000 0.927 255 K CB -0.333 32.177 32.500 0.016 0.000 0.713 255 K HN 0.410 nan 8.250 nan 0.000 0.443 256 A N 1.610 124.380 122.820 -0.085 0.000 2.067 256 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 256 A C 1.756 179.259 177.584 -0.135 0.000 1.158 256 A CA 1.481 53.453 52.037 -0.109 0.000 0.661 256 A CB -0.341 18.578 19.000 -0.134 0.000 0.801 256 A HN 0.538 nan 8.150 nan 0.000 0.452 257 R N -2.060 118.340 120.500 -0.167 0.000 2.472 257 R HA 0.399 4.739 4.340 -0.001 0.000 0.279 257 R C 0.956 177.186 176.300 -0.117 0.000 0.953 257 R CA 0.536 56.541 56.100 -0.158 0.000 1.088 257 R CB -0.441 29.729 30.300 -0.215 0.000 1.197 257 R HN 0.647 nan 8.270 nan 0.000 0.536 258 G N 0.776 109.522 108.800 -0.091 0.000 2.176 258 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 258 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 258 G C 0.228 175.082 174.900 -0.077 0.000 1.024 258 G CA 0.128 45.187 45.100 -0.068 0.000 0.755 258 G HN 0.675 nan 8.290 nan 0.000 0.507 259 A N -0.331 122.434 122.820 -0.093 0.000 2.409 259 A HA 0.684 5.004 4.320 -0.001 0.000 0.262 259 A C 0.499 178.018 177.584 -0.108 0.000 1.113 259 A CA 0.504 52.479 52.037 -0.103 0.000 0.790 259 A CB 0.602 19.534 19.000 -0.112 0.000 1.046 259 A HN 0.977 nan 8.150 nan 0.000 0.496 260 K N 3.942 124.276 120.400 -0.110 0.000 2.253 260 K HA 0.512 4.832 4.320 -0.001 0.000 0.277 260 K C -2.808 173.658 176.600 -0.223 0.000 1.053 260 K CA -1.633 54.576 56.287 -0.130 0.000 0.892 260 K CB 0.595 33.062 32.500 -0.055 0.000 1.102 260 K HN 0.357 nan 8.250 nan 0.000 0.469 261 P HA 0.038 nan 4.420 nan 0.000 0.269 261 P C -0.098 177.005 177.300 -0.327 0.000 1.209 261 P CA -0.182 62.600 63.100 -0.529 0.000 0.776 261 P CB 0.670 31.697 31.700 -1.122 0.000 0.876 262 L N 0.640 121.761 121.223 -0.170 0.000 2.408 262 L HA 0.400 4.740 4.340 -0.001 0.000 0.215 262 L C 1.002 177.862 176.870 -0.016 0.000 1.081 262 L CA 0.488 55.279 54.840 -0.081 0.000 0.840 262 L CB -0.148 41.852 42.059 -0.099 0.000 1.002 262 L HN 0.445 nan 8.230 nan 0.000 0.468 263 A N -0.233 122.594 122.820 0.011 0.000 2.515 263 A HA 0.652 4.972 4.320 -0.001 0.000 0.292 263 A C -1.265 176.426 177.584 0.177 0.000 1.065 263 A CA -0.714 51.397 52.037 0.123 0.000 0.641 263 A CB 1.037 20.092 19.000 0.091 0.000 1.306 263 A HN 0.030 nan 8.150 nan 0.000 0.441 264 R N -0.292 120.361 120.500 0.256 0.000 2.445 264 R HA 0.570 4.909 4.340 -0.001 0.000 0.308 264 R C -1.308 175.132 176.300 0.233 0.000 0.961 264 R CA -0.751 55.494 56.100 0.240 0.000 0.862 264 R CB 1.784 32.233 30.300 0.248 0.000 1.144 264 R HN 0.494 nan 8.270 nan 0.000 0.447 265 L N 4.911 126.209 121.223 0.126 0.000 2.259 265 L HA 0.240 4.579 4.340 -0.001 0.000 0.288 265 L C 0.024 176.806 176.870 -0.147 0.000 1.051 265 L CA 0.288 55.025 54.840 -0.172 0.000 0.824 265 L CB 0.780 42.758 42.059 -0.134 0.000 1.206 265 L HN 0.765 nan 8.230 nan 0.000 0.429 266 L N 4.438 125.497 121.223 -0.274 0.000 2.463 266 L HA 0.514 4.853 4.340 -0.001 0.000 0.219 266 L C 0.983 177.622 176.870 -0.385 0.000 1.088 266 L CA 0.438 55.198 54.840 -0.134 0.000 0.849 266 L CB -0.126 41.910 42.059 -0.038 0.000 1.012 266 L HN 0.793 nan 8.230 nan 0.000 0.468 267 G N -0.601 107.617 108.800 -0.970 0.000 2.338 267 G HA2 0.607 4.567 3.960 -0.001 0.000 0.295 267 G HA3 0.607 4.567 3.960 -0.001 0.000 0.295 267 G C -2.205 171.994 174.900 -1.168 0.000 1.461 267 G CA 0.064 44.380 45.100 -1.307 0.000 0.817 267 G HN 0.053 nan 8.290 nan 0.000 0.556 268 A N -1.040 121.188 122.820 -0.987 0.000 2.547 268 A HA 0.962 5.282 4.320 -0.001 0.000 0.297 268 A C -0.201 177.195 177.584 -0.313 0.000 1.056 268 A CA 0.139 51.819 52.037 -0.594 0.000 0.688 268 A CB 1.789 20.447 19.000 -0.570 0.000 1.282 268 A HN 2.250 nan 8.150 nan 0.000 0.400 269 G N 0.453 109.123 108.800 -0.215 0.000 2.566 269 G HA2 0.643 4.603 3.960 -0.001 0.000 0.311 269 G HA3 0.643 4.603 3.960 -0.001 0.000 0.311 269 G C -1.199 173.650 174.900 -0.085 0.000 1.322 269 G CA -0.458 44.574 45.100 -0.114 0.000 0.969 269 G HN 0.689 nan 8.290 nan 0.000 0.490 270 I N 2.027 122.572 120.570 -0.041 0.000 2.512 270 I HA 0.466 4.636 4.170 -0.001 0.000 0.287 270 I C 0.199 176.337 176.117 0.036 0.000 1.069 270 I CA -0.586 60.709 61.300 -0.008 0.000 1.056 270 I CB 2.541 40.529 38.000 -0.019 0.000 1.229 270 I HN 0.693 nan 8.210 nan 0.000 0.429 271 T N 1.455 116.046 114.554 0.062 0.000 2.716 271 T HA 0.834 5.184 4.350 -0.001 0.000 0.286 271 T C -0.434 174.323 174.700 0.095 0.000 1.052 271 T CA -0.753 61.389 62.100 0.070 0.000 1.024 271 T CB 2.004 70.907 68.868 0.058 0.000 1.349 271 T HN 0.529 nan 8.240 nan 0.000 0.525 272 S N -0.728 115.016 115.700 0.075 0.000 2.588 272 S HA 0.536 5.005 4.470 -0.001 0.000 0.275 272 S C -0.450 174.176 174.600 0.043 0.000 1.130 272 S CA -0.787 57.449 58.200 0.059 0.000 0.855 272 S CB 1.843 65.073 63.200 0.049 0.000 1.116 272 S HN 0.616 nan 8.310 nan 0.000 0.472 273 D N 1.289 121.712 120.400 0.037 0.000 2.213 273 D HA 0.232 4.872 4.640 -0.001 0.000 0.205 273 D C 1.274 177.633 176.300 0.098 0.000 0.961 273 D CA 1.400 55.434 54.000 0.057 0.000 0.853 273 D CB -0.572 40.278 40.800 0.084 0.000 0.967 273 D HN 1.121 nan 8.370 nan 0.000 0.496 274 A N -0.167 122.700 122.820 0.078 0.000 2.208 274 A HA -0.252 4.067 4.320 -0.001 0.000 0.277 274 A C 0.607 178.286 177.584 0.158 0.000 1.377 274 A CA 0.872 52.956 52.037 0.078 0.000 0.758 274 A CB -1.972 17.060 19.000 0.053 0.000 1.122 274 A HN 0.384 nan 8.150 nan 0.000 0.350 275 F N -0.528 119.424 119.950 0.002 0.000 2.423 275 F HA 0.398 4.925 4.527 -0.001 0.000 0.269 275 F C 0.797 176.649 175.800 0.086 0.000 0.880 275 F CA 1.214 59.233 58.000 0.032 0.000 1.134 275 F CB 0.511 39.528 39.000 0.029 0.000 1.143 275 F HN 0.643 nan 8.300 nan 0.000 0.802 276 H N 0.072 119.118 119.070 -0.040 0.000 3.042 276 H HA 0.299 4.855 4.556 -0.001 0.000 0.346 276 H C 0.373 175.679 175.328 -0.037 0.000 1.294 276 H CA -0.431 55.520 56.048 -0.162 0.000 1.141 276 H CB 1.780 31.392 29.762 -0.250 0.000 1.872 276 H HN 0.031 nan 8.280 nan 0.000 0.541 277 M N 2.146 121.545 119.600 -0.336 0.000 2.200 277 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 277 M C 1.644 177.916 176.300 -0.046 0.000 1.066 277 M CA 1.453 56.650 55.300 -0.172 0.000 1.127 277 M CB -0.331 32.108 32.600 -0.269 0.000 1.379 277 M HN 0.463 nan 8.290 nan 0.000 0.420 278 V N -3.829 116.143 119.914 0.096 0.000 3.398 278 V HA 0.630 4.750 4.120 -0.001 0.000 0.298 278 V C 0.338 176.469 176.094 0.062 0.000 1.496 278 V CA -0.226 61.937 62.300 -0.229 0.000 1.044 278 V CB -0.373 31.024 31.823 -0.710 0.000 0.880 278 V HN 0.132 nan 8.190 nan 0.000 0.443 279 A N 2.136 125.097 122.820 0.235 0.000 2.355 279 A HA 0.944 5.263 4.320 -0.001 0.000 0.317 279 A C -2.974 174.781 177.584 0.286 0.000 1.094 279 A CA -1.845 50.284 52.037 0.152 0.000 0.764 279 A CB 1.374 20.331 19.000 -0.073 0.000 1.230 279 A HN 0.242 nan 8.150 nan 0.000 0.448 280 P HA 0.360 nan 4.420 nan 0.000 0.277 280 P C -0.023 177.132 177.300 -0.242 0.000 1.240 280 P CA -0.055 63.053 63.100 0.013 0.000 0.798 280 P CB 1.080 32.723 31.700 -0.095 0.000 0.979 281 A N 2.445 124.957 122.820 -0.513 0.000 2.545 281 A HA 0.265 4.585 4.320 -0.001 0.000 0.253 281 A C 1.716 178.898 177.584 -0.669 0.000 1.074 281 A CA 0.431 51.768 52.037 -1.167 0.000 0.760 281 A CB -0.577 17.993 19.000 -0.716 0.000 1.005 281 A HN 0.616 nan 8.150 nan 0.000 0.506 282 A N 2.613 125.040 122.820 -0.655 0.000 1.972 282 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 282 A C 1.591 179.044 177.584 -0.219 0.000 1.169 282 A CA 1.928 53.788 52.037 -0.295 0.000 0.635 282 A CB -0.486 18.411 19.000 -0.173 0.000 0.810 282 A HN 0.947 nan 8.150 nan 0.000 0.446 283 D N -1.574 118.679 120.400 -0.244 0.000 2.348 283 D HA 0.165 4.805 4.640 -0.001 0.000 0.216 283 D C 1.313 177.531 176.300 -0.137 0.000 0.970 283 D CA 1.001 54.909 54.000 -0.153 0.000 0.889 283 D CB -0.955 39.770 40.800 -0.125 0.000 0.912 283 D HN 0.749 nan 8.370 nan 0.000 0.524 284 G N -0.123 108.567 108.800 -0.182 0.000 2.200 284 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.267 284 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.267 284 G C 1.126 175.961 174.900 -0.108 0.000 0.993 284 G CA 0.723 45.726 45.100 -0.161 0.000 0.701 284 G HN 0.377 nan 8.290 nan 0.000 0.524 285 V N 0.304 120.160 119.914 -0.098 0.000 2.270 285 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 285 V C 2.933 179.008 176.094 -0.033 0.000 1.043 285 V CA 2.409 64.676 62.300 -0.054 0.000 1.014 285 V CB -0.387 31.409 31.823 -0.045 0.000 0.645 285 V HN 0.436 nan 8.190 nan 0.000 0.447 286 R N 0.435 120.914 120.500 -0.036 0.000 2.092 286 R HA 0.020 4.359 4.340 -0.001 0.000 0.231 286 R C 2.342 178.654 176.300 0.021 0.000 1.119 286 R CA 1.448 57.547 56.100 -0.003 0.000 0.970 286 R CB -1.383 28.921 30.300 0.005 0.000 0.864 286 R HN 0.529 nan 8.270 nan 0.000 0.440 287 A N 0.636 123.454 122.820 -0.005 0.000 1.902 287 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 287 A C 2.414 180.064 177.584 0.109 0.000 1.181 287 A CA 1.866 53.947 52.037 0.072 0.000 0.623 287 A CB -1.044 17.857 19.000 -0.164 0.000 0.818 287 A HN 0.410 nan 8.150 nan 0.000 0.443 288 G N -0.604 108.217 108.800 0.036 0.000 2.408 288 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 288 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 288 G C 1.645 176.563 174.900 0.029 0.000 1.150 288 G CA 1.095 46.216 45.100 0.036 0.000 0.776 288 G HN 0.550 nan 8.290 nan 0.000 0.542 289 R N 1.105 121.618 120.500 0.023 0.000 2.152 289 R HA 0.132 4.472 4.340 -0.001 0.000 0.232 289 R C 2.560 178.873 176.300 0.021 0.000 1.117 289 R CA 1.645 57.756 56.100 0.018 0.000 0.981 289 R CB -0.557 29.753 30.300 0.017 0.000 0.870 289 R HN 0.225 nan 8.270 nan 0.000 0.451 290 A N 0.384 123.227 122.820 0.039 0.000 1.898 290 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 290 A C 2.166 179.744 177.584 -0.011 0.000 1.181 290 A CA 1.601 53.651 52.037 0.022 0.000 0.620 290 A CB -0.423 18.608 19.000 0.052 0.000 0.819 290 A HN 0.406 nan 8.150 nan 0.000 0.442 291 M N -0.851 118.755 119.600 0.010 0.000 2.065 291 M HA -0.145 4.335 4.480 -0.001 0.000 0.259 291 M C 2.273 178.556 176.300 -0.030 0.000 1.069 291 M CA 2.092 57.383 55.300 -0.015 0.000 1.110 291 M CB -1.042 31.566 32.600 0.013 0.000 1.328 291 M HN 0.387 nan 8.290 nan 0.000 0.405 292 T N -0.088 114.458 114.554 -0.013 0.000 2.720 292 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 292 T C 1.817 176.503 174.700 -0.023 0.000 1.037 292 T CA 1.752 63.842 62.100 -0.016 0.000 1.144 292 T CB -0.340 68.525 68.868 -0.005 0.000 0.864 292 T HN 0.232 nan 8.240 nan 0.000 0.444 293 R N 1.687 122.175 120.500 -0.021 0.000 2.096 293 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 293 R C 2.562 178.831 176.300 -0.052 0.000 1.127 293 R CA 1.972 58.061 56.100 -0.018 0.000 0.968 293 R CB -0.786 29.508 30.300 -0.009 0.000 0.861 293 R HN 0.478 nan 8.270 nan 0.000 0.440 294 S N -0.087 115.555 115.700 -0.097 0.000 2.383 294 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 294 S C 1.993 176.506 174.600 -0.146 0.000 1.026 294 S CA 1.224 59.318 58.200 -0.177 0.000 0.981 294 S CB -0.465 62.607 63.200 -0.214 0.000 0.818 294 S HN 0.382 nan 8.310 nan 0.000 0.472 295 L N 1.033 122.199 121.223 -0.095 0.000 2.109 295 L HA -0.009 4.331 4.340 -0.001 0.000 0.207 295 L C 2.907 179.746 176.870 -0.051 0.000 1.086 295 L CA 1.505 56.295 54.840 -0.083 0.000 0.760 295 L CB -0.721 41.298 42.059 -0.067 0.000 0.910 295 L HN 0.398 nan 8.230 nan 0.000 0.437 296 E N 0.509 120.696 120.200 -0.022 0.000 2.077 296 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 296 E C 2.334 178.970 176.600 0.061 0.000 0.989 296 E CA 1.055 57.462 56.400 0.013 0.000 0.800 296 E CB -0.101 29.614 29.700 0.025 0.000 0.746 296 E HN 0.478 nan 8.360 nan 0.000 0.452 297 L N 0.294 121.569 121.223 0.087 0.000 2.156 297 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 297 L C 2.500 179.511 176.870 0.236 0.000 1.095 297 L CA 0.738 55.730 54.840 0.253 0.000 0.770 297 L CB -0.347 41.850 42.059 0.230 0.000 0.914 297 L HN 0.120 nan 8.230 nan 0.000 0.439 298 A N -0.267 122.579 122.820 0.043 0.000 2.016 298 A HA 0.184 4.504 4.320 -0.001 0.000 0.217 298 A C 1.742 179.333 177.584 0.012 0.000 1.162 298 A CA 0.991 53.035 52.037 0.013 0.000 0.662 298 A CB -0.408 18.528 19.000 -0.107 0.000 0.812 298 A HN 0.515 nan 8.150 nan 0.000 0.450 299 G N -1.422 107.374 108.800 -0.007 0.000 2.142 299 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.225 299 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.225 299 G C -0.083 174.760 174.900 -0.096 0.000 1.015 299 G CA 0.321 45.403 45.100 -0.030 0.000 0.716 299 G HN 0.450 nan 8.290 nan 0.000 0.508 300 L N 0.305 121.448 121.223 -0.135 0.000 2.331 300 L HA 0.844 5.184 4.340 -0.001 0.000 0.268 300 L C 0.946 177.748 176.870 -0.115 0.000 1.015 300 L CA -0.548 54.173 54.840 -0.198 0.000 0.807 300 L CB 1.924 43.794 42.059 -0.314 0.000 1.293 300 L HN 0.389 nan 8.230 nan 0.000 0.451 301 S N -1.238 114.400 115.700 -0.102 0.000 2.621 301 S HA 0.508 4.978 4.470 -0.001 0.000 0.302 301 S C -2.280 172.295 174.600 -0.041 0.000 1.093 301 S CA -1.403 56.765 58.200 -0.053 0.000 1.017 301 S CB 1.890 65.071 63.200 -0.032 0.000 1.077 301 S HN 0.316 nan 8.310 nan 0.000 0.517 302 P HA -0.077 nan 4.420 nan 0.000 0.216 302 P C 1.514 178.821 177.300 0.011 0.000 1.150 302 P CA 1.998 65.094 63.100 -0.007 0.000 0.843 302 P CB -0.254 31.444 31.700 -0.003 0.000 0.787 303 A N -0.320 122.508 122.820 0.013 0.000 2.076 303 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 303 A C 1.825 179.443 177.584 0.057 0.000 1.160 303 A CA 1.784 53.840 52.037 0.031 0.000 0.653 303 A CB -1.208 17.808 19.000 0.025 0.000 0.801 303 A HN 0.110 nan 8.150 nan 0.000 0.455 304 D N -0.255 120.175 120.400 0.049 0.000 2.317 304 D HA 0.016 4.656 4.640 -0.001 0.000 0.211 304 D C 0.367 176.783 176.300 0.193 0.000 0.966 304 D CA 0.366 54.431 54.000 0.108 0.000 0.876 304 D CB -0.045 40.729 40.800 -0.044 0.000 0.927 304 D HN 0.252 nan 8.370 nan 0.000 0.519 305 I N 2.062 122.705 120.570 0.123 0.000 2.379 305 I HA -0.008 4.161 4.170 -0.001 0.000 0.290 305 I C 1.013 177.225 176.117 0.160 0.000 1.063 305 I CA 0.091 61.479 61.300 0.147 0.000 1.351 305 I CB 0.928 38.972 38.000 0.073 0.000 1.410 305 I HN -0.184 nan 8.210 nan 0.000 0.505 306 D N 3.781 124.314 120.400 0.221 0.000 2.346 306 D HA -0.006 4.634 4.640 -0.001 0.000 0.206 306 D C 0.381 176.820 176.300 0.232 0.000 1.001 306 D CA 0.905 55.056 54.000 0.253 0.000 0.871 306 D CB 0.449 41.467 40.800 0.363 0.000 0.943 306 D HN 0.583 nan 8.370 nan 0.000 0.518 307 H N -0.524 118.564 119.070 0.031 0.000 3.086 307 H HA 0.400 4.956 4.556 -0.001 0.000 0.353 307 H C -1.888 173.428 175.328 -0.019 0.000 1.134 307 H CA -0.594 55.404 56.048 -0.084 0.000 1.248 307 H CB 1.234 30.833 29.762 -0.271 0.000 1.878 307 H HN -0.352 nan 8.280 nan 0.000 0.527 308 V N 5.258 124.855 119.914 -0.528 0.000 2.444 308 V HA 0.273 4.392 4.120 -0.001 0.000 0.294 308 V C -0.125 175.602 176.094 -0.612 0.000 1.022 308 V CA -1.004 61.023 62.300 -0.454 0.000 0.850 308 V CB 1.502 33.227 31.823 -0.164 0.000 0.992 308 V HN 0.826 nan 8.190 nan 0.000 0.426 309 N N 4.084 122.492 118.700 -0.487 0.000 2.469 309 N HA 0.389 5.128 4.740 -0.001 0.000 0.239 309 N C -0.049 175.417 175.510 -0.073 0.000 1.053 309 N CA -0.151 52.790 53.050 -0.181 0.000 0.937 309 N CB 1.658 40.128 38.487 -0.029 0.000 1.163 309 N HN 0.821 nan 8.380 nan 0.000 0.509 310 A N 2.920 125.739 122.820 -0.002 0.000 2.388 310 A HA 0.094 4.414 4.320 -0.001 0.000 0.257 310 A C 1.172 178.793 177.584 0.061 0.000 1.095 310 A CA -0.208 51.900 52.037 0.118 0.000 0.791 310 A CB 0.248 19.454 19.000 0.343 0.000 1.029 310 A HN 0.899 nan 8.150 nan 0.000 0.489 311 H N 2.346 121.427 119.070 0.018 0.000 2.352 311 H HA 0.022 4.578 4.556 -0.001 0.000 0.299 311 H C 1.597 176.851 175.328 -0.124 0.000 1.097 311 H CA 1.676 57.688 56.048 -0.061 0.000 1.311 311 H CB -0.429 29.386 29.762 0.088 0.000 1.377 311 H HN 1.186 nan 8.280 nan 0.000 0.504 312 G N 0.505 109.249 108.800 -0.092 0.000 2.121 312 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.237 312 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.237 312 G C 1.073 175.710 174.900 -0.438 0.000 0.628 312 G CA 0.913 45.759 45.100 -0.424 0.000 1.062 312 G HN 0.751 nan 8.290 nan 0.000 0.350 313 T N -1.163 113.186 114.554 -0.342 0.000 3.043 313 T HA 0.433 4.782 4.350 -0.001 0.000 0.263 313 T C 1.872 176.504 174.700 -0.113 0.000 1.094 313 T CA 1.481 63.431 62.100 -0.249 0.000 1.127 313 T CB 0.103 68.928 68.868 -0.073 0.000 0.905 313 T HN 2.408 nan 8.240 nan 0.000 0.490 314 A N 0.799 123.513 122.820 -0.176 0.000 3.300 314 A HA -0.093 4.227 4.320 -0.001 0.000 0.234 314 A C 0.756 178.318 177.584 -0.037 0.000 1.310 314 A CA 0.789 52.756 52.037 -0.118 0.000 1.123 314 A CB -2.889 16.067 19.000 -0.074 0.000 1.143 314 A HN 1.300 nan 8.150 nan 0.000 0.853 315 T N -2.912 111.643 114.554 0.001 0.000 2.909 315 T HA 0.579 4.929 4.350 -0.001 0.000 0.289 315 T C -1.059 173.651 174.700 0.015 0.000 1.005 315 T CA -1.110 61.015 62.100 0.042 0.000 1.084 315 T CB 1.373 70.311 68.868 0.117 0.000 0.975 315 T HN 0.016 nan 8.240 nan 0.000 0.509 316 P HA -0.108 nan 4.420 nan 0.000 0.213 316 P C 1.769 179.084 177.300 0.025 0.000 1.170 316 P CA 1.230 64.342 63.100 0.019 0.000 0.902 316 P CB -0.171 31.539 31.700 0.017 0.000 0.789 317 I N -4.078 116.510 120.570 0.030 0.000 2.676 317 I HA 0.054 4.223 4.170 -0.001 0.000 0.259 317 I C 2.090 178.219 176.117 0.020 0.000 1.194 317 I CA 1.587 62.901 61.300 0.023 0.000 1.473 317 I CB -1.367 36.647 38.000 0.023 0.000 1.096 317 I HN -0.146 nan 8.210 nan 0.000 0.443 318 G N 1.585 110.407 108.800 0.037 0.000 2.414 318 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.215 318 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.215 318 G C 1.128 176.030 174.900 0.003 0.000 1.188 318 G CA 1.028 46.151 45.100 0.038 0.000 0.783 318 G HN 0.357 nan 8.290 nan 0.000 0.537 319 D N 0.941 121.321 120.400 -0.033 0.000 2.178 319 D HA 0.041 4.680 4.640 -0.001 0.000 0.202 319 D C 2.698 179.106 176.300 0.179 0.000 0.974 319 D CA 1.039 55.011 54.000 -0.047 0.000 0.841 319 D CB -0.289 40.361 40.800 -0.250 0.000 0.953 319 D HN 0.312 nan 8.370 nan 0.000 0.478 320 A N 0.934 123.813 122.820 0.098 0.000 1.897 320 A HA 0.063 4.382 4.320 -0.001 0.000 0.215 320 A C 2.298 179.900 177.584 0.031 0.000 1.181 320 A CA 1.828 53.916 52.037 0.085 0.000 0.620 320 A CB -0.688 18.340 19.000 0.046 0.000 0.821 320 A HN 0.215 nan 8.150 nan 0.000 0.443 321 A N -0.264 122.540 122.820 -0.026 0.000 1.902 321 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 321 A C 2.012 179.528 177.584 -0.113 0.000 1.181 321 A CA 1.855 53.828 52.037 -0.106 0.000 0.623 321 A CB -0.567 18.327 19.000 -0.176 0.000 0.818 321 A HN 0.662 nan 8.150 nan 0.000 0.443 322 E N -0.166 119.993 120.200 -0.068 0.000 2.110 322 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 322 E C 2.104 178.760 176.600 0.092 0.000 0.988 322 E CA 1.020 57.422 56.400 0.004 0.000 0.804 322 E CB -0.258 29.554 29.700 0.187 0.000 0.745 322 E HN 0.552 nan 8.360 nan 0.000 0.458 323 A N 1.304 124.204 122.820 0.134 0.000 1.902 323 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 323 A C 1.952 179.537 177.584 0.002 0.000 1.181 323 A CA 1.668 53.732 52.037 0.045 0.000 0.623 323 A CB -0.640 18.393 19.000 0.054 0.000 0.818 323 A HN 0.273 nan 8.150 nan 0.000 0.443 324 N N 0.439 119.134 118.700 -0.008 0.000 2.166 324 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 324 N C 1.883 177.371 175.510 -0.036 0.000 1.019 324 N CA 1.515 54.546 53.050 -0.031 0.000 0.856 324 N CB -0.571 37.885 38.487 -0.052 0.000 0.993 324 N HN 0.486 nan 8.380 nan 0.000 0.426 325 A N 1.256 124.050 122.820 -0.044 0.000 1.902 325 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 325 A C 2.326 179.916 177.584 0.009 0.000 1.181 325 A CA 0.951 52.971 52.037 -0.028 0.000 0.623 325 A CB -0.642 18.331 19.000 -0.045 0.000 0.818 325 A HN 0.220 nan 8.150 nan 0.000 0.443 326 I N -1.070 119.510 120.570 0.017 0.000 2.315 326 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 326 I C 2.778 178.890 176.117 -0.007 0.000 1.117 326 I CA 1.210 62.516 61.300 0.010 0.000 1.404 326 I CB -0.344 37.652 38.000 -0.007 0.000 1.071 326 I HN 0.286 nan 8.210 nan 0.000 0.419 327 R N 0.247 120.738 120.500 -0.015 0.000 2.073 327 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 327 R C 2.353 178.646 176.300 -0.011 0.000 1.134 327 R CA 1.302 57.393 56.100 -0.015 0.000 0.952 327 R CB -0.523 29.767 30.300 -0.017 0.000 0.850 327 R HN 0.197 nan 8.270 nan 0.000 0.433 328 V N 1.078 120.985 119.914 -0.012 0.000 2.332 328 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 328 V C 2.246 178.337 176.094 -0.005 0.000 1.055 328 V CA 2.013 64.307 62.300 -0.011 0.000 1.038 328 V CB -0.608 31.205 31.823 -0.017 0.000 0.651 328 V HN 0.431 nan 8.190 nan 0.000 0.450 329 A N -0.708 122.112 122.820 -0.000 0.000 2.209 329 A HA 0.313 4.633 4.320 -0.001 0.000 0.212 329 A C 1.995 179.578 177.584 -0.001 0.000 1.158 329 A CA 1.086 53.124 52.037 0.002 0.000 0.742 329 A CB -0.676 18.330 19.000 0.009 0.000 0.790 329 A HN 1.293 nan 8.150 nan 0.000 0.472 330 G N -2.688 106.111 108.800 -0.002 0.000 2.153 330 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.252 330 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.252 330 G C 0.512 175.413 174.900 0.001 0.000 0.994 330 G CA 0.380 45.479 45.100 -0.001 0.000 0.698 330 G HN 0.665 nan 8.290 nan 0.000 0.521 331 C N 1.032 120.332 119.300 -0.001 0.000 3.104 331 C HA 0.259 4.719 4.460 -0.001 0.000 0.284 331 C C 1.869 176.853 174.990 -0.009 0.000 1.326 331 C CA 0.139 59.157 59.018 -0.000 0.000 1.725 331 C CB -0.234 27.505 27.740 -0.002 0.000 2.156 331 C HN 0.700 nan 8.230 nan 0.000 0.638 332 D N 0.248 120.639 120.400 -0.015 0.000 2.363 332 D HA -0.092 4.547 4.640 -0.001 0.000 0.226 332 D C 1.307 177.593 176.300 -0.024 0.000 1.020 332 D CA 0.727 54.709 54.000 -0.031 0.000 0.892 332 D CB -0.147 40.633 40.800 -0.033 0.000 0.900 332 D HN 0.412 nan 8.370 nan 0.000 0.531 333 Q N 0.138 119.935 119.800 -0.004 0.000 2.247 333 Q HA 0.330 4.669 4.340 -0.001 0.000 0.211 333 Q C 0.591 176.606 176.000 0.025 0.000 0.861 333 Q CA -0.147 55.661 55.803 0.009 0.000 0.949 333 Q CB 0.832 29.581 28.738 0.018 0.000 1.115 333 Q HN 0.354 nan 8.270 nan 0.000 0.507 334 A N 1.086 123.918 122.820 0.021 0.000 2.351 334 A HA 0.598 4.917 4.320 -0.001 0.000 0.257 334 A C 0.068 177.671 177.584 0.032 0.000 1.087 334 A CA -0.024 52.040 52.037 0.045 0.000 0.798 334 A CB 0.353 19.372 19.000 0.030 0.000 1.033 334 A HN 0.245 nan 8.150 nan 0.000 0.488 335 A N 1.377 124.242 122.820 0.075 0.000 2.454 335 A HA 0.500 4.820 4.320 -0.001 0.000 0.260 335 A C -0.048 177.596 177.584 0.101 0.000 1.106 335 A CA -0.115 51.961 52.037 0.065 0.000 0.780 335 A CB -0.284 18.753 19.000 0.061 0.000 1.044 335 A HN 0.975 nan 8.150 nan 0.000 0.498 336 V N 3.667 123.593 119.914 0.020 0.000 2.435 336 V HA 0.362 4.481 4.120 -0.001 0.000 0.290 336 V C -0.650 175.527 176.094 0.138 0.000 1.030 336 V CA -0.401 61.902 62.300 0.005 0.000 0.881 336 V CB 1.211 32.937 31.823 -0.162 0.000 0.983 336 V HN 0.784 nan 8.190 nan 0.000 0.445 337 Y N 3.761 124.108 120.300 0.079 0.000 2.409 337 Y HA 0.748 5.298 4.550 -0.001 0.000 0.343 337 Y C -0.085 175.875 175.900 0.101 0.000 0.973 337 Y CA -1.545 56.615 58.100 0.099 0.000 1.064 337 Y CB 1.864 40.433 38.460 0.181 0.000 1.207 337 Y HN 0.649 nan 8.280 nan 0.000 0.452 338 A N 8.524 131.183 122.820 -0.269 0.000 2.536 338 A HA 0.498 4.817 4.320 -0.001 0.000 0.329 338 A C -2.427 174.781 177.584 -0.626 0.000 1.321 338 A CA -1.605 50.235 52.037 -0.328 0.000 0.804 338 A CB 0.434 19.406 19.000 -0.047 0.000 1.126 338 A HN 0.625 nan 8.150 nan 0.000 0.480 339 P HA -0.114 nan 4.420 nan 0.000 0.223 339 P C 1.103 178.239 177.300 -0.274 0.000 1.151 339 P CA 1.115 63.836 63.100 -0.632 0.000 0.787 339 P CB 0.212 31.675 31.700 -0.396 0.000 0.788 340 K N 0.213 120.446 120.400 -0.278 0.000 2.283 340 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 340 K C 2.225 178.755 176.600 -0.117 0.000 1.048 340 K CA 1.507 57.671 56.287 -0.205 0.000 0.948 340 K CB -0.471 31.847 32.500 -0.303 0.000 0.742 340 K HN 0.234 nan 8.250 nan 0.000 0.458 341 S N 0.804 116.436 115.700 -0.113 0.000 2.392 341 S HA -0.227 4.243 4.470 -0.001 0.000 0.232 341 S C 2.021 176.622 174.600 0.001 0.000 1.041 341 S CA 1.394 59.572 58.200 -0.036 0.000 1.026 341 S CB -0.147 63.052 63.200 -0.001 0.000 0.845 341 S HN 0.338 nan 8.310 nan 0.000 0.465 342 A N 0.295 123.118 122.820 0.004 0.000 2.026 342 A HA 0.587 4.907 4.320 -0.001 0.000 0.201 342 A C 1.959 179.564 177.584 0.036 0.000 1.318 342 A CA 0.119 52.179 52.037 0.039 0.000 0.857 342 A CB -0.049 18.998 19.000 0.078 0.000 0.939 342 A HN 0.449 nan 8.150 nan 0.000 0.476 343 L N -0.585 120.648 121.223 0.016 0.000 2.616 343 L HA 0.345 4.685 4.340 -0.001 0.000 0.229 343 L C 1.392 178.274 176.870 0.019 0.000 1.110 343 L CA 0.362 55.218 54.840 0.026 0.000 0.884 343 L CB -0.089 41.986 42.059 0.028 0.000 1.115 343 L HN 0.586 nan 8.230 nan 0.000 0.481 344 G N 0.255 109.056 108.800 0.002 0.000 2.692 344 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.248 344 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.248 344 G C -0.611 174.305 174.900 0.027 0.000 1.340 344 G CA -0.374 44.746 45.100 0.034 0.000 0.896 344 G HN 0.293 nan 8.290 nan 0.000 0.570 345 H N 0.651 119.719 119.070 -0.004 0.000 2.511 345 H HA 0.621 5.176 4.556 -0.001 0.000 0.328 345 H C 1.110 176.432 175.328 -0.010 0.000 1.044 345 H CA -0.102 55.877 56.048 -0.115 0.000 1.212 345 H CB 1.154 30.697 29.762 -0.364 0.000 1.428 345 H HN 0.762 nan 8.280 nan 0.000 0.483 346 S N 5.326 121.173 115.700 0.245 0.000 2.574 346 S HA 0.164 4.633 4.470 -0.001 0.000 0.242 346 S C 1.292 175.931 174.600 0.066 0.000 0.982 346 S CA -0.383 57.878 58.200 0.102 0.000 0.977 346 S CB -0.064 63.168 63.200 0.054 0.000 0.814 346 S HN 0.559 nan 8.310 nan 0.000 0.464 347 I N 1.608 122.225 120.570 0.078 0.000 4.901 347 I HA -0.370 3.799 4.170 -0.001 0.000 0.038 347 I C 2.189 178.330 176.117 0.040 0.000 0.635 347 I CA 2.036 63.282 61.300 -0.090 0.000 0.244 347 I CB -2.220 35.687 38.000 -0.155 0.000 0.339 347 I HN 0.454 nan 8.210 nan 0.000 0.150 348 G N 0.036 108.849 108.800 0.022 0.000 2.471 348 G HA2 0.145 4.104 3.960 -0.001 0.000 0.219 348 G HA3 0.145 4.104 3.960 -0.001 0.000 0.219 348 G C 1.414 176.334 174.900 0.034 0.000 1.125 348 G CA 1.493 46.611 45.100 0.030 0.000 0.775 348 G HN 0.973 nan 8.290 nan 0.000 0.548 349 A N -0.359 122.484 122.820 0.038 0.000 2.147 349 A HA 0.401 4.721 4.320 -0.001 0.000 0.211 349 A C 2.289 179.892 177.584 0.031 0.000 1.160 349 A CA 0.843 52.902 52.037 0.036 0.000 0.781 349 A CB -0.142 18.881 19.000 0.039 0.000 0.842 349 A HN 0.224 nan 8.150 nan 0.000 0.475 350 V N 0.169 120.108 119.914 0.042 0.000 2.427 350 V HA -0.137 3.982 4.120 -0.001 0.000 0.248 350 V C 2.471 178.558 176.094 -0.010 0.000 1.051 350 V CA 2.326 64.630 62.300 0.007 0.000 1.048 350 V CB -0.705 31.102 31.823 -0.028 0.000 0.666 350 V HN 0.531 nan 8.190 nan 0.000 0.456 351 G N -0.946 107.861 108.800 0.012 0.000 2.422 351 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 351 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 351 G C 1.724 176.626 174.900 0.004 0.000 1.146 351 G CA 1.031 46.130 45.100 -0.002 0.000 0.769 351 G HN 0.690 nan 8.290 nan 0.000 0.547 352 A N 0.492 123.319 122.820 0.013 0.000 1.873 352 A HA 0.127 4.446 4.320 -0.001 0.000 0.215 352 A C 2.336 179.921 177.584 0.002 0.000 1.186 352 A CA 1.580 53.630 52.037 0.021 0.000 0.616 352 A CB -0.526 18.490 19.000 0.026 0.000 0.823 352 A HN 0.443 nan 8.150 nan 0.000 0.442 353 L N 0.521 121.743 121.223 -0.001 0.000 1.990 353 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 353 L C 2.161 179.016 176.870 -0.025 0.000 1.072 353 L CA 2.732 57.567 54.840 -0.009 0.000 0.755 353 L CB -0.758 41.302 42.059 0.001 0.000 0.889 353 L HN 0.561 nan 8.230 nan 0.000 0.432 354 E N -1.134 119.048 120.200 -0.030 0.000 2.204 354 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 354 E C 2.110 178.674 176.600 -0.061 0.000 0.989 354 E CA 1.060 57.439 56.400 -0.035 0.000 0.824 354 E CB -0.126 29.541 29.700 -0.054 0.000 0.756 354 E HN 0.514 nan 8.360 nan 0.000 0.477 355 S N 0.549 116.213 115.700 -0.059 0.000 2.368 355 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 355 S C 2.218 176.610 174.600 -0.346 0.000 1.030 355 S CA 0.824 58.945 58.200 -0.131 0.000 0.999 355 S CB -0.119 63.125 63.200 0.074 0.000 0.844 355 S HN 0.077 nan 8.310 nan 0.000 0.459 356 V N 2.427 122.218 119.914 -0.206 0.000 2.287 356 V HA -0.185 3.935 4.120 -0.001 0.000 0.248 356 V C 2.197 178.105 176.094 -0.311 0.000 1.053 356 V CA 1.607 63.765 62.300 -0.236 0.000 1.027 356 V CB -0.791 30.951 31.823 -0.136 0.000 0.646 356 V HN 0.432 nan 8.190 nan 0.000 0.447 357 L N -0.336 120.764 121.223 -0.204 0.000 2.042 357 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 357 L C 2.616 179.354 176.870 -0.221 0.000 1.076 357 L CA 2.073 56.807 54.840 -0.175 0.000 0.749 357 L CB -1.206 40.931 42.059 0.130 0.000 0.893 357 L HN 0.371 nan 8.230 nan 0.000 0.432 358 T N -0.484 113.952 114.554 -0.197 0.000 2.746 358 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 358 T C 2.042 176.537 174.700 -0.342 0.000 1.039 358 T CA 1.333 63.321 62.100 -0.188 0.000 1.142 358 T CB -0.278 68.441 68.868 -0.248 0.000 0.866 358 T HN 0.064 nan 8.240 nan 0.000 0.444 359 V N 1.638 121.218 119.914 -0.557 0.000 2.332 359 V HA -0.142 3.978 4.120 -0.001 0.000 0.248 359 V C 2.469 178.344 176.094 -0.366 0.000 1.055 359 V CA 1.548 63.576 62.300 -0.454 0.000 1.038 359 V CB -0.677 30.881 31.823 -0.441 0.000 0.651 359 V HN 0.464 nan 8.190 nan 0.000 0.450 360 L N -0.754 120.137 121.223 -0.553 0.000 2.141 360 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 360 L C 2.588 179.154 176.870 -0.507 0.000 1.094 360 L CA 1.649 56.008 54.840 -0.801 0.000 0.763 360 L CB -1.027 40.001 42.059 -1.718 0.000 0.908 360 L HN 0.328 nan 8.230 nan 0.000 0.437 361 T N 0.516 114.878 114.554 -0.321 0.000 2.708 361 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 361 T C 1.992 176.720 174.700 0.047 0.000 1.037 361 T CA 1.312 63.415 62.100 0.006 0.000 1.146 361 T CB -0.181 68.613 68.868 -0.124 0.000 0.865 361 T HN 0.186 nan 8.240 nan 0.000 0.435 362 L N 0.353 121.570 121.223 -0.009 0.000 2.056 362 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 362 L C 2.855 179.755 176.870 0.049 0.000 1.078 362 L CA 1.218 56.093 54.840 0.059 0.000 0.749 362 L CB -0.495 41.591 42.059 0.045 0.000 0.901 362 L HN 0.135 nan 8.230 nan 0.000 0.433 363 R N 0.177 120.672 120.500 -0.009 0.000 2.091 363 R HA -0.189 4.150 4.340 -0.001 0.000 0.238 363 R C 1.077 177.409 176.300 0.053 0.000 1.136 363 R CA 2.026 58.129 56.100 0.005 0.000 0.959 363 R CB -0.013 30.249 30.300 -0.063 0.000 0.856 363 R HN 0.324 nan 8.270 nan 0.000 0.437 364 D N -1.748 118.711 120.400 0.098 0.000 2.407 364 D HA 0.151 4.790 4.640 -0.001 0.000 0.208 364 D C 0.591 177.007 176.300 0.193 0.000 1.083 364 D CA 0.849 54.957 54.000 0.179 0.000 0.844 364 D CB 0.915 41.914 40.800 0.332 0.000 0.967 364 D HN 0.457 nan 8.370 nan 0.000 0.506 365 G N 1.104 110.017 108.800 0.187 0.000 2.249 365 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.273 365 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.273 365 G C 0.031 175.072 174.900 0.235 0.000 1.036 365 G CA 0.664 45.868 45.100 0.172 0.000 0.824 365 G HN 0.402 nan 8.290 nan 0.000 0.504 366 V N -0.001 120.063 119.914 0.249 0.000 2.851 366 V HA 0.743 4.863 4.120 -0.001 0.000 0.307 366 V C -0.596 175.420 176.094 -0.130 0.000 1.129 366 V CA -1.186 61.093 62.300 -0.035 0.000 0.932 366 V CB 1.924 33.567 31.823 -0.299 0.000 1.024 366 V HN 0.342 nan 8.190 nan 0.000 0.426 367 I N 7.965 128.328 120.570 -0.344 0.000 2.389 367 I HA 0.469 4.638 4.170 -0.001 0.000 0.288 367 I C -2.366 173.362 176.117 -0.648 0.000 0.999 367 I CA -2.116 58.864 61.300 -0.534 0.000 1.129 367 I CB 2.196 39.852 38.000 -0.573 0.000 1.288 367 I HN 0.468 nan 8.210 nan 0.000 0.444 368 P HA 0.127 nan 4.420 nan 0.000 0.271 368 P C -2.526 174.460 177.300 -0.525 0.000 1.233 368 P CA -1.203 61.453 63.100 -0.740 0.000 0.789 368 P CB -0.330 30.915 31.700 -0.758 0.000 0.951 369 P HA 0.032 nan 4.420 nan 0.000 0.275 369 P C -0.557 176.834 177.300 0.151 0.000 1.227 369 P CA 0.242 63.314 63.100 -0.046 0.000 0.781 369 P CB -0.013 31.675 31.700 -0.019 0.000 0.906 370 T N 4.537 119.225 114.554 0.223 0.000 2.751 370 T HA 0.169 4.518 4.350 -0.001 0.000 0.290 370 T C 0.765 175.569 174.700 0.174 0.000 0.919 370 T CA -0.133 62.111 62.100 0.239 0.000 1.136 370 T CB -0.469 68.489 68.868 0.150 0.000 0.875 370 T HN 0.186 nan 8.240 nan 0.000 0.532 371 L N 4.133 125.442 121.223 0.143 0.000 2.483 371 L HA 0.089 4.429 4.340 -0.001 0.000 0.275 371 L C 1.042 177.988 176.870 0.126 0.000 1.220 371 L CA -0.307 54.600 54.840 0.112 0.000 0.833 371 L CB 0.028 42.134 42.059 0.078 0.000 1.102 371 L HN 0.742 nan 8.230 nan 0.000 0.490 372 N N -0.142 118.624 118.700 0.110 0.000 2.909 372 N HA -0.285 4.455 4.740 -0.001 0.000 0.242 372 N C -0.486 175.102 175.510 0.129 0.000 0.975 372 N CA 0.897 54.003 53.050 0.092 0.000 0.921 372 N CB -1.475 37.050 38.487 0.063 0.000 1.112 372 N HN 0.604 nan 8.380 nan 0.000 0.581 373 Y N 1.984 122.315 120.300 0.052 0.000 2.556 373 Y HA 0.264 4.813 4.550 -0.001 0.000 0.352 373 Y C 1.296 177.225 175.900 0.049 0.000 1.006 373 Y CA 0.347 58.485 58.100 0.064 0.000 1.277 373 Y CB 0.248 38.761 38.460 0.089 0.000 1.136 373 Y HN 0.061 nan 8.280 nan 0.000 0.523 374 E N 1.576 121.592 120.200 -0.306 0.000 2.444 374 E HA 0.131 4.481 4.350 -0.001 0.000 0.209 374 E C -0.343 176.096 176.600 -0.269 0.000 0.806 374 E CA 0.206 56.482 56.400 -0.206 0.000 1.240 374 E CB 0.921 30.569 29.700 -0.086 0.000 1.238 374 E HN 0.355 nan 8.360 nan 0.000 0.591 375 T N 3.565 117.917 114.554 -0.337 0.000 3.064 375 T HA 0.302 4.651 4.350 -0.001 0.000 0.367 375 T C -2.724 171.797 174.700 -0.298 0.000 1.202 375 T CA -1.430 60.525 62.100 -0.241 0.000 1.133 375 T CB 1.371 70.164 68.868 -0.126 0.000 1.074 375 T HN -0.155 nan 8.240 nan 0.000 0.519 376 P HA 0.017 nan 4.420 nan 0.000 0.264 376 P C -0.406 176.884 177.300 -0.016 0.000 1.173 376 P CA 0.094 63.118 63.100 -0.126 0.000 0.761 376 P CB 0.466 32.162 31.700 -0.007 0.000 0.794 377 D N 4.092 124.534 120.400 0.071 0.000 2.349 377 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 377 D C -1.533 174.809 176.300 0.070 0.000 1.071 377 D CA -2.490 51.552 54.000 0.071 0.000 0.832 377 D CB 1.077 41.945 40.800 0.112 0.000 1.086 377 D HN 0.136 nan 8.370 nan 0.000 0.504 378 P HA -0.117 nan 4.420 nan 0.000 0.221 378 P C 0.725 178.046 177.300 0.036 0.000 1.145 378 P CA 0.690 63.811 63.100 0.035 0.000 0.795 378 P CB 0.667 32.380 31.700 0.023 0.000 0.775 379 E N -0.539 119.687 120.200 0.043 0.000 2.435 379 E HA 0.050 4.400 4.350 -0.001 0.000 0.195 379 E C 0.771 177.404 176.600 0.055 0.000 1.029 379 E CA 0.361 56.786 56.400 0.042 0.000 0.865 379 E CB 0.098 29.821 29.700 0.039 0.000 0.833 379 E HN 0.316 nan 8.360 nan 0.000 0.510 380 I N 2.047 122.664 120.570 0.078 0.000 2.377 380 I HA 0.113 4.282 4.170 -0.001 0.000 0.282 380 I C 0.012 176.145 176.117 0.026 0.000 1.091 380 I CA -0.498 60.848 61.300 0.076 0.000 1.207 380 I CB 0.423 38.527 38.000 0.174 0.000 1.429 380 I HN -0.253 nan 8.210 nan 0.000 0.491 381 D N 7.139 127.535 120.400 -0.006 0.000 2.631 381 D HA 0.398 5.038 4.640 -0.001 0.000 0.227 381 D C -0.433 175.832 176.300 -0.057 0.000 1.146 381 D CA 0.124 54.117 54.000 -0.012 0.000 1.009 381 D CB 0.088 40.886 40.800 -0.004 0.000 1.057 381 D HN 0.344 nan 8.370 nan 0.000 0.509 382 L N 0.741 121.901 121.223 -0.105 0.000 2.341 382 L HA 0.357 4.697 4.340 -0.001 0.000 0.267 382 L C 0.120 176.898 176.870 -0.154 0.000 1.009 382 L CA -1.186 53.543 54.840 -0.185 0.000 0.819 382 L CB 1.987 43.806 42.059 -0.400 0.000 1.323 382 L HN -0.074 nan 8.230 nan 0.000 0.425 383 D N 1.876 122.198 120.400 -0.129 0.000 2.551 383 D HA 0.164 4.803 4.640 -0.001 0.000 0.223 383 D C -0.578 175.632 176.300 -0.150 0.000 1.144 383 D CA -0.114 53.831 54.000 -0.091 0.000 1.025 383 D CB 0.225 41.004 40.800 -0.036 0.000 1.085 383 D HN 0.049 nan 8.370 nan 0.000 0.506 384 V N 3.716 123.472 119.914 -0.263 0.000 2.455 384 V HA 0.074 4.193 4.120 -0.001 0.000 0.273 384 V C 0.681 176.623 176.094 -0.254 0.000 1.045 384 V CA -0.816 61.250 62.300 -0.390 0.000 0.976 384 V CB 1.377 32.662 31.823 -0.897 0.000 0.993 384 V HN 0.186 nan 8.190 nan 0.000 0.475 385 V N 5.642 125.491 119.914 -0.109 0.000 2.450 385 V HA 0.507 4.626 4.120 -0.001 0.000 0.281 385 V C 0.624 176.706 176.094 -0.019 0.000 1.019 385 V CA 0.591 62.864 62.300 -0.045 0.000 1.062 385 V CB 0.372 32.171 31.823 -0.040 0.000 0.979 385 V HN 1.065 nan 8.190 nan 0.000 0.477 386 A N 3.862 126.694 122.820 0.019 0.000 2.587 386 A HA 0.894 5.214 4.320 -0.001 0.000 0.293 386 A C 0.761 178.389 177.584 0.073 0.000 1.087 386 A CA 0.157 52.249 52.037 0.092 0.000 0.692 386 A CB 1.634 20.784 19.000 0.250 0.000 1.291 386 A HN 1.702 nan 8.150 nan 0.000 0.407 387 G N 0.002 108.846 108.800 0.073 0.000 4.890 387 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.221 387 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.221 387 G C 0.143 175.055 174.900 0.019 0.000 1.472 387 G CA 0.888 46.018 45.100 0.051 0.000 0.962 387 G HN 1.111 nan 8.290 nan 0.000 0.671 388 E N 1.456 121.658 120.200 0.003 0.000 2.369 388 E HA 0.679 5.028 4.350 -0.001 0.000 0.270 388 E C -2.574 173.980 176.600 -0.077 0.000 0.909 388 E CA -1.721 54.667 56.400 -0.020 0.000 0.775 388 E CB 2.246 31.955 29.700 0.016 0.000 1.270 388 E HN 0.278 nan 8.360 nan 0.000 0.445 389 P HA 0.112 nan 4.420 nan 0.000 0.269 389 P C -0.872 176.265 177.300 -0.271 0.000 1.217 389 P CA 0.033 62.947 63.100 -0.311 0.000 0.783 389 P CB 0.473 31.868 31.700 -0.507 0.000 0.898 390 R N 2.017 122.342 120.500 -0.292 0.000 2.265 390 R HA 0.339 4.679 4.340 -0.001 0.000 0.328 390 R C -0.660 175.556 176.300 -0.141 0.000 0.969 390 R CA -0.531 55.490 56.100 -0.133 0.000 0.832 390 R CB 0.319 30.614 30.300 -0.008 0.000 1.139 390 R HN 0.479 nan 8.270 nan 0.000 0.457 391 Y N 0.975 121.301 120.300 0.042 0.000 2.320 391 Y HA 0.597 5.146 4.550 -0.001 0.000 0.324 391 Y C 1.079 176.902 175.900 -0.129 0.000 1.190 391 Y CA 0.139 58.235 58.100 -0.007 0.000 1.215 391 Y CB 2.166 40.600 38.460 -0.043 0.000 1.221 391 Y HN 0.718 nan 8.280 nan 0.000 0.486 392 G N 0.997 109.637 108.800 -0.267 0.000 2.387 392 G HA2 0.195 4.155 3.960 -0.001 0.000 0.294 392 G HA3 0.195 4.155 3.960 -0.001 0.000 0.294 392 G C -2.016 172.380 174.900 -0.841 0.000 1.509 392 G CA -0.973 43.728 45.100 -0.666 0.000 0.806 392 G HN 0.401 nan 8.290 nan 0.000 0.546 393 D N 0.391 120.456 120.400 -0.558 0.000 2.631 393 D HA 0.331 4.971 4.640 -0.001 0.000 0.227 393 D C -0.494 175.621 176.300 -0.308 0.000 1.146 393 D CA -0.326 53.471 54.000 -0.339 0.000 1.009 393 D CB -0.400 40.294 40.800 -0.176 0.000 1.057 393 D HN 0.205 nan 8.370 nan 0.000 0.509 394 Y N 2.074 122.364 120.300 -0.018 0.000 2.480 394 Y HA 0.213 4.763 4.550 -0.001 0.000 0.341 394 Y C 1.695 177.556 175.900 -0.065 0.000 1.031 394 Y CA -0.494 57.596 58.100 -0.017 0.000 1.295 394 Y CB 0.683 39.135 38.460 -0.013 0.000 1.162 394 Y HN 0.094 nan 8.280 nan 0.000 0.523 395 R N 1.870 122.375 120.500 0.009 0.000 2.167 395 R HA 0.143 4.483 4.340 -0.001 0.000 0.201 395 R C -0.771 175.239 176.300 -0.483 0.000 1.024 395 R CA 0.441 56.362 56.100 -0.299 0.000 1.053 395 R CB 0.191 30.229 30.300 -0.436 0.000 0.987 395 R HN 0.557 nan 8.270 nan 0.000 0.493 396 Y N -0.779 119.612 120.300 0.153 0.000 2.477 396 Y HA 0.682 5.232 4.550 -0.000 0.000 0.347 396 Y C -0.398 175.590 175.900 0.147 0.000 0.981 396 Y CA -1.452 56.728 58.100 0.133 0.000 1.033 396 Y CB 2.209 40.723 38.460 0.090 0.000 1.245 396 Y HN -0.008 nan 8.280 nan 0.000 0.455 397 A N 1.458 124.460 122.820 0.304 0.000 2.520 397 A HA 0.821 5.141 4.320 -0.001 0.000 0.298 397 A C -2.009 175.666 177.584 0.151 0.000 1.051 397 A CA -0.733 51.427 52.037 0.204 0.000 0.690 397 A CB 1.274 20.426 19.000 0.254 0.000 1.281 397 A HN 0.466 nan 8.150 nan 0.000 0.402 398 V N 2.231 122.166 119.914 0.035 0.000 2.384 398 V HA 0.378 4.497 4.120 -0.001 0.000 0.287 398 V C -0.168 175.915 176.094 -0.019 0.000 1.020 398 V CA -0.708 61.599 62.300 0.012 0.000 0.850 398 V CB 1.582 33.389 31.823 -0.028 0.000 0.987 398 V HN 0.888 nan 8.190 nan 0.000 0.436 399 N N 4.617 123.349 118.700 0.054 0.000 2.426 399 N HA 0.272 5.012 4.740 -0.001 0.000 0.257 399 N C -0.466 174.999 175.510 -0.074 0.000 1.002 399 N CA -0.196 52.861 53.050 0.012 0.000 0.942 399 N CB 0.624 39.181 38.487 0.116 0.000 1.112 399 N HN 0.616 nan 8.380 nan 0.000 0.499 400 N N 1.480 120.103 118.700 -0.128 0.000 2.498 400 N HA 0.428 5.167 4.740 -0.001 0.000 0.287 400 N C -1.190 174.047 175.510 -0.456 0.000 1.097 400 N CA -0.203 52.658 53.050 -0.315 0.000 0.973 400 N CB 1.391 39.755 38.487 -0.205 0.000 1.153 400 N HN 0.431 nan 8.380 nan 0.000 0.472 401 S N 0.931 116.124 115.700 -0.845 0.000 2.546 401 S HA 0.662 5.132 4.470 -0.001 0.000 0.272 401 S C -1.309 172.531 174.600 -1.268 0.000 1.140 401 S CA -0.628 57.066 58.200 -0.845 0.000 0.920 401 S CB 0.857 63.848 63.200 -0.349 0.000 1.083 401 S HN 0.333 nan 8.310 nan 0.000 0.476 402 F N 0.379 119.834 119.950 -0.824 0.000 2.603 402 F HA 0.884 5.410 4.527 -0.000 0.000 0.317 402 F C 0.660 176.303 175.800 -0.261 0.000 1.066 402 F CA -0.733 57.024 58.000 -0.404 0.000 0.941 402 F CB 2.107 40.939 39.000 -0.279 0.000 1.291 402 F HN 0.749 nan 8.300 nan 0.000 0.472 403 G N 0.503 109.424 108.800 0.201 0.000 2.719 403 G HA2 0.555 4.515 3.960 -0.001 0.000 0.298 403 G HA3 0.555 4.515 3.960 -0.001 0.000 0.298 403 G C -1.574 173.562 174.900 0.394 0.000 1.411 403 G CA -0.733 44.505 45.100 0.231 0.000 0.991 403 G HN 0.256 nan 8.290 nan 0.000 0.509 404 F N 0.912 121.007 119.950 0.241 0.000 2.623 404 F HA 0.298 4.824 4.527 -0.000 0.000 0.381 404 F C 1.722 177.627 175.800 0.174 0.000 1.081 404 F CA 1.474 59.588 58.000 0.190 0.000 1.293 404 F CB 0.592 39.701 39.000 0.182 0.000 1.006 404 F HN 1.180 nan 8.300 nan 0.000 0.578 405 G N 0.931 109.842 108.800 0.186 0.000 2.213 405 G HA2 0.086 4.046 3.960 -0.001 0.000 0.226 405 G HA3 0.086 4.046 3.960 -0.001 0.000 0.226 405 G C 0.831 175.503 174.900 -0.381 0.000 0.992 405 G CA 0.204 45.242 45.100 -0.103 0.000 0.632 405 G HN 1.954 nan 8.290 nan 0.000 0.511 406 G N -0.213 108.465 108.800 -0.204 0.000 2.164 406 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.212 406 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.212 406 G C -0.089 174.733 174.900 -0.129 0.000 1.031 406 G CA 0.482 45.523 45.100 -0.099 0.000 0.730 406 G HN 1.323 nan 8.290 nan 0.000 0.501 407 H N 0.603 119.766 119.070 0.156 0.000 2.527 407 H HA 0.420 4.976 4.556 -0.001 0.000 0.321 407 H C -0.134 175.294 175.328 0.166 0.000 1.087 407 H CA -0.311 55.812 56.048 0.126 0.000 1.337 407 H CB 0.943 30.761 29.762 0.093 0.000 1.440 407 H HN 0.222 nan 8.280 nan 0.000 0.490 408 N N 2.688 121.541 118.700 0.255 0.000 2.448 408 N HA 0.223 4.963 4.740 -0.001 0.000 0.279 408 N C -0.867 174.677 175.510 0.058 0.000 1.025 408 N CA -0.425 52.785 53.050 0.268 0.000 0.898 408 N CB 2.732 41.397 38.487 0.296 0.000 1.303 408 N HN 0.217 nan 8.380 nan 0.000 0.495 409 V N 0.900 120.733 119.914 -0.135 0.000 2.487 409 V HA 0.810 4.929 4.120 -0.001 0.000 0.298 409 V C -0.247 175.702 176.094 -0.243 0.000 1.028 409 V CA -0.859 61.340 62.300 -0.168 0.000 0.860 409 V CB 1.508 33.232 31.823 -0.164 0.000 0.991 409 V HN 0.748 nan 8.190 nan 0.000 0.427 410 A N 5.786 128.500 122.820 -0.176 0.000 2.355 410 A HA 0.929 5.248 4.320 -0.001 0.000 0.317 410 A C -1.101 176.360 177.584 -0.206 0.000 1.094 410 A CA -0.550 51.383 52.037 -0.173 0.000 0.764 410 A CB 1.212 20.143 19.000 -0.115 0.000 1.230 410 A HN 0.794 nan 8.150 nan 0.000 0.448 411 L N 2.242 123.351 121.223 -0.190 0.000 2.319 411 L HA 0.609 4.948 4.340 -0.001 0.000 0.281 411 L C 0.434 177.127 176.870 -0.295 0.000 1.005 411 L CA -0.619 54.027 54.840 -0.322 0.000 0.828 411 L CB 1.874 43.765 42.059 -0.281 0.000 1.227 411 L HN 0.810 nan 8.230 nan 0.000 0.415 412 A N 4.232 126.809 122.820 -0.406 0.000 2.310 412 A HA 0.652 4.971 4.320 -0.001 0.000 0.300 412 A C -0.815 176.568 177.584 -0.336 0.000 1.269 412 A CA -0.044 51.840 52.037 -0.256 0.000 0.909 412 A CB -0.213 18.646 19.000 -0.236 0.000 1.144 412 A HN 0.506 nan 8.150 nan 0.000 0.540 413 F N 1.310 121.253 119.950 -0.011 0.000 2.483 413 F HA 0.689 5.215 4.527 -0.001 0.000 0.329 413 F C 0.956 176.844 175.800 0.146 0.000 1.064 413 F CA -0.102 57.919 58.000 0.036 0.000 0.986 413 F CB 2.443 41.455 39.000 0.020 0.000 1.218 413 F HN 0.642 nan 8.300 nan 0.000 0.484 414 G N 1.012 110.026 108.800 0.357 0.000 2.591 414 G HA2 0.461 4.420 3.960 -0.001 0.000 0.306 414 G HA3 0.461 4.420 3.960 -0.001 0.000 0.306 414 G C -1.563 173.434 174.900 0.162 0.000 1.334 414 G CA -1.012 44.248 45.100 0.267 0.000 0.981 414 G HN 0.628 nan 8.290 nan 0.000 0.491 415 R N 0.621 121.138 120.500 0.028 0.000 2.623 415 R HA 0.127 4.466 4.340 -0.001 0.000 0.271 415 R C -0.397 175.963 176.300 0.100 0.000 1.043 415 R CA -0.299 55.828 56.100 0.044 0.000 1.083 415 R CB 0.294 30.573 30.300 -0.035 0.000 0.974 415 R HN 0.605 nan 8.270 nan 0.000 0.436 416 Y N 0.000 120.307 120.300 0.012 0.000 2.660 416 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 416 Y CA 0.000 58.114 58.100 0.023 0.000 1.940 416 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758