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 3d5k_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLIPDYQRPE APVAAAYPQG QAYGQNTGAA AVPAADIGWR EFFRDPQLQQ DATA SEQUENCE LIGVALENNR DLRVAALNVE AFRAQYRIQR ADLFPRIGVD GSGTRQRLPG DATA SEQUENCE DLSTTGSPAI SSQYGVTLGT TAWELDLFGR LRSLRDQALE QYLATEQAQR DATA SEQUENCE SAQTTLVASV ATAYLTLKAD QAQLQLTKDT LGTYQKSFDL TQRSYDVGVA DATA SEQUENCE SALDLRQAQT AVEGARATLA QYTRLVAQDQ NALVLLLGSG IPANLPQGLG DATA SEQUENCE LDQTLLTEVP AGLPSDLLQR RPDILEAEHQ LMAANASIGA ARAAFFPSIS DATA SEQUENCE LTANAGTMSR QLSGLFDAGS GSWLFQPSIN LPIFTAGSLR ASLDYAKIQK DATA SEQUENCE DINVAQYEKA IQTAFQEVAD GLAARGTFTE QLQAQRDLVK ASDEYYQLAD DATA SEQUENCE KRYRTGVDNY LTLLDAQRSL FTAQQQLITD RLNQLTSEVN LYKALGGGWN DATA SEQUENCE QQTV 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 0.000 174.582 174.600 -0.030 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 3 L N 4.165 125.372 121.223 -0.026 0.000 2.769 3 L HA 0.467 4.794 4.340 -0.021 0.000 0.240 3 L C -0.012 176.862 176.870 0.007 0.000 1.163 3 L CA -0.045 54.777 54.840 -0.030 0.000 0.962 3 L CB 0.041 42.069 42.059 -0.051 0.000 1.258 3 L HN 0.608 nan 8.230 nan 0.000 0.513 4 I N 1.878 122.457 120.570 0.014 0.000 2.517 4 I HA 0.074 4.232 4.170 -0.021 0.000 0.285 4 I C -1.718 174.417 176.117 0.029 0.000 1.106 4 I CA -1.593 59.724 61.300 0.028 0.000 1.402 4 I CB 0.239 38.256 38.000 0.029 0.000 1.399 4 I HN -0.089 nan 8.210 nan 0.000 0.535 5 P HA 0.061 nan 4.420 nan 0.000 0.270 5 P C -0.879 176.448 177.300 0.045 0.000 1.223 5 P CA -0.356 62.763 63.100 0.032 0.000 0.785 5 P CB 0.393 32.111 31.700 0.030 0.000 0.923 6 D N 0.370 120.789 120.400 0.032 0.000 2.455 6 D HA -0.029 4.599 4.640 -0.021 0.000 0.241 6 D C -0.353 175.983 176.300 0.060 0.000 1.138 6 D CA 0.411 54.436 54.000 0.041 0.000 0.877 6 D CB -0.083 40.722 40.800 0.009 0.000 1.187 6 D HN 0.305 nan 8.370 nan 0.000 0.451 7 Y N 2.156 122.439 120.300 -0.028 0.000 2.404 7 Y HA 0.231 4.768 4.550 -0.022 0.000 0.344 7 Y C -0.232 175.639 175.900 -0.047 0.000 0.995 7 Y CA -0.517 57.557 58.100 -0.043 0.000 1.201 7 Y CB 0.709 39.138 38.460 -0.051 0.000 1.151 7 Y HN 0.173 nan 8.280 nan 0.000 0.517 8 Q N 6.037 125.390 119.800 -0.745 0.000 2.333 8 Q HA 0.333 4.661 4.340 -0.021 0.000 0.268 8 Q C -0.979 174.446 176.000 -0.958 0.000 1.007 8 Q CA -0.781 54.632 55.803 -0.651 0.000 0.810 8 Q CB 0.969 29.520 28.738 -0.311 0.000 1.264 8 Q HN 0.774 nan 8.270 nan 0.000 0.452 9 R N 4.832 124.880 120.500 -0.753 0.000 2.370 9 R HA 0.284 4.612 4.340 -0.021 0.000 0.309 9 R C -2.019 174.163 176.300 -0.196 0.000 1.059 9 R CA -1.309 54.523 56.100 -0.445 0.000 0.981 9 R CB 0.225 30.444 30.300 -0.135 0.000 0.972 9 R HN 0.519 nan 8.270 nan 0.000 0.437 10 P HA -0.037 nan 4.420 nan 0.000 0.267 10 P C -0.849 176.489 177.300 0.063 0.000 1.200 10 P CA 0.113 63.221 63.100 0.013 0.000 0.772 10 P CB 0.520 32.289 31.700 0.115 0.000 0.855 11 E N 0.537 120.743 120.200 0.009 0.000 2.398 11 E HA 0.283 4.620 4.350 -0.021 0.000 0.263 11 E C 0.037 176.627 176.600 -0.017 0.000 1.046 11 E CA -0.511 55.885 56.400 -0.008 0.000 0.908 11 E CB 0.435 30.115 29.700 -0.034 0.000 0.963 11 E HN 0.444 nan 8.360 nan 0.000 0.431 12 A N 4.456 127.250 122.820 -0.043 0.000 2.484 12 A HA 0.128 4.436 4.320 -0.021 0.000 0.268 12 A C -1.723 175.787 177.584 -0.124 0.000 1.114 12 A CA -1.013 50.967 52.037 -0.094 0.000 0.780 12 A CB -0.242 18.699 19.000 -0.097 0.000 1.061 12 A HN 0.366 nan 8.150 nan 0.000 0.505 13 P HA 0.217 nan 4.420 nan 0.000 0.228 13 P C -0.313 176.853 177.300 -0.224 0.000 1.764 13 P CA 0.171 63.182 63.100 -0.149 0.000 0.929 13 P CB -0.654 30.977 31.700 -0.116 0.000 1.675 14 V N -3.768 115.968 119.914 -0.298 0.000 3.158 14 V HA 0.918 5.025 4.120 -0.021 0.000 0.311 14 V C -0.106 175.700 176.094 -0.480 0.000 1.181 14 V CA -1.769 60.209 62.300 -0.536 0.000 1.054 14 V CB 1.199 32.546 31.823 -0.794 0.000 1.085 14 V HN 0.103 nan 8.190 nan 0.000 0.446 15 A N 0.242 122.671 122.820 -0.651 0.000 2.445 15 A HA 0.691 4.998 4.320 -0.021 0.000 0.242 15 A C 1.455 178.909 177.584 -0.216 0.000 1.075 15 A CA 0.209 52.044 52.037 -0.336 0.000 0.777 15 A CB 0.444 19.312 19.000 -0.220 0.000 1.013 15 A HN 2.160 nan 8.150 nan 0.000 0.493 16 A N 1.021 123.762 122.820 -0.131 0.000 2.172 16 A HA 0.427 4.735 4.320 -0.021 0.000 0.216 16 A C 1.093 178.619 177.584 -0.096 0.000 1.154 16 A CA 1.648 53.624 52.037 -0.101 0.000 0.701 16 A CB -0.498 18.458 19.000 -0.074 0.000 0.789 16 A HN 2.108 nan 8.150 nan 0.000 0.465 17 A N -2.090 120.687 122.820 -0.072 0.000 2.587 17 A HA 0.639 4.947 4.320 -0.021 0.000 0.293 17 A C -0.921 176.661 177.584 -0.005 0.000 1.087 17 A CA -0.712 51.277 52.037 -0.081 0.000 0.692 17 A CB 0.426 19.408 19.000 -0.029 0.000 1.291 17 A HN 0.199 nan 8.150 nan 0.000 0.407 18 Y N 0.962 121.286 120.300 0.039 0.000 2.379 18 Y HA 0.330 4.868 4.550 -0.020 0.000 0.337 18 Y C -1.672 174.112 175.900 -0.193 0.000 1.238 18 Y CA -1.058 56.970 58.100 -0.119 0.000 1.405 18 Y CB 0.247 38.558 38.460 -0.248 0.000 1.310 18 Y HN 0.453 nan 8.280 nan 0.000 0.569 19 P HA -0.036 nan 4.420 nan 0.000 0.269 19 P C -1.004 175.908 177.300 -0.646 0.000 1.211 19 P CA 0.150 62.997 63.100 -0.421 0.000 0.781 19 P CB 0.496 31.826 31.700 -0.615 0.000 0.877 20 Q N 0.412 120.010 119.800 -0.337 0.000 2.423 20 Q HA 0.755 5.083 4.340 -0.021 0.000 0.278 20 Q C 0.046 176.105 176.000 0.098 0.000 1.097 20 Q CA -0.517 55.222 55.803 -0.106 0.000 0.809 20 Q CB 2.799 31.525 28.738 -0.020 0.000 1.391 20 Q HN 0.754 nan 8.270 nan 0.000 0.428 21 G N 0.057 109.002 108.800 0.243 0.000 2.345 21 G HA2 -0.073 3.875 3.960 -0.021 0.000 0.285 21 G HA3 -0.073 3.875 3.960 -0.021 0.000 0.285 21 G C -0.080 174.922 174.900 0.170 0.000 1.297 21 G CA -0.406 44.821 45.100 0.211 0.000 0.875 21 G HN 0.462 nan 8.290 nan 0.000 0.506 22 Q N -0.844 119.008 119.800 0.087 0.000 2.197 22 Q HA -0.090 4.237 4.340 -0.021 0.000 0.207 22 Q C 2.513 178.493 176.000 -0.034 0.000 0.984 22 Q CA 2.554 58.370 55.803 0.022 0.000 0.869 22 Q CB -0.228 28.510 28.738 -0.001 0.000 0.906 22 Q HN 0.807 nan 8.270 nan 0.000 0.426 23 A N -1.067 121.690 122.820 -0.105 0.000 2.238 23 A HA 0.089 4.397 4.320 -0.021 0.000 0.210 23 A C -0.307 177.014 177.584 -0.439 0.000 1.179 23 A CA -0.028 51.811 52.037 -0.330 0.000 0.827 23 A CB 0.212 18.906 19.000 -0.511 0.000 0.856 23 A HN 0.289 nan 8.150 nan 0.000 0.488 24 Y N -0.596 119.695 120.300 -0.014 0.000 2.409 24 Y HA 0.547 5.085 4.550 -0.020 0.000 0.339 24 Y C 1.093 176.992 175.900 -0.002 0.000 1.033 24 Y CA -0.790 57.305 58.100 -0.009 0.000 1.094 24 Y CB 1.280 39.740 38.460 0.001 0.000 1.210 24 Y HN 0.130 nan 8.280 nan 0.000 0.456 25 G N 1.864 110.752 108.800 0.148 0.000 2.539 25 G HA2 0.184 4.132 3.960 -0.021 0.000 0.258 25 G HA3 0.184 4.132 3.960 -0.021 0.000 0.258 25 G C -0.566 174.397 174.900 0.105 0.000 1.202 25 G CA -0.745 44.413 45.100 0.096 0.000 0.851 25 G HN 0.474 nan 8.290 nan 0.000 0.556 26 Q N 0.473 120.316 119.800 0.072 0.000 2.326 26 Q HA -0.048 4.280 4.340 -0.021 0.000 0.314 26 Q C 0.080 176.116 176.000 0.061 0.000 1.091 26 Q CA 0.291 56.130 55.803 0.060 0.000 0.974 26 Q CB 0.292 29.056 28.738 0.044 0.000 1.220 26 Q HN 0.440 nan 8.270 nan 0.000 0.398 27 N N 1.553 120.287 118.700 0.057 0.000 2.452 27 N HA -0.017 4.711 4.740 -0.021 0.000 0.266 27 N C 1.012 176.557 175.510 0.057 0.000 1.175 27 N CA 0.251 53.340 53.050 0.066 0.000 0.945 27 N CB 0.832 39.359 38.487 0.067 0.000 1.063 27 N HN 0.540 nan 8.380 nan 0.000 0.472 28 T N -0.468 114.123 114.554 0.062 0.000 2.904 28 T HA 0.196 4.534 4.350 -0.021 0.000 0.267 28 T C 1.088 175.817 174.700 0.047 0.000 1.059 28 T CA 0.530 62.659 62.100 0.049 0.000 1.137 28 T CB -0.120 68.776 68.868 0.046 0.000 0.879 28 T HN 0.676 nan 8.240 nan 0.000 0.467 29 G N 1.170 110.004 108.800 0.058 0.000 2.428 29 G HA2 0.322 4.269 3.960 -0.021 0.000 0.202 29 G HA3 0.322 4.269 3.960 -0.021 0.000 0.202 29 G C -0.325 174.606 174.900 0.052 0.000 1.247 29 G CA -0.382 44.746 45.100 0.047 0.000 1.020 29 G HN 1.048 nan 8.290 nan 0.000 0.529 30 A N -0.226 122.617 122.820 0.038 0.000 2.409 30 A HA 0.830 5.138 4.320 -0.021 0.000 0.262 30 A C 0.803 178.409 177.584 0.037 0.000 1.113 30 A CA 1.297 53.356 52.037 0.037 0.000 0.790 30 A CB 0.321 19.337 19.000 0.026 0.000 1.046 30 A HN 2.468 nan 8.150 nan 0.000 0.496 31 A N 1.910 124.754 122.820 0.041 0.000 2.301 31 A HA 0.624 4.932 4.320 -0.021 0.000 0.312 31 A C 1.246 178.849 177.584 0.032 0.000 1.182 31 A CA 0.065 52.124 52.037 0.038 0.000 0.826 31 A CB 0.494 19.521 19.000 0.044 0.000 1.134 31 A HN 1.826 nan 8.150 nan 0.000 0.501 32 A N 2.135 124.972 122.820 0.028 0.000 1.845 32 A HA 0.152 4.460 4.320 -0.021 0.000 0.215 32 A C 0.860 178.461 177.584 0.027 0.000 1.195 32 A CA 1.760 53.812 52.037 0.025 0.000 0.616 32 A CB -0.720 18.292 19.000 0.021 0.000 0.832 32 A HN 1.054 nan 8.150 nan 0.000 0.443 33 V N 1.875 121.807 119.914 0.030 0.000 2.318 33 V HA 0.308 4.416 4.120 -0.021 0.000 0.271 33 V C -2.507 173.612 176.094 0.042 0.000 1.030 33 V CA -1.729 60.592 62.300 0.034 0.000 0.844 33 V CB 0.606 32.448 31.823 0.033 0.000 1.015 33 V HN 0.244 nan 8.190 nan 0.000 0.460 34 P HA 0.209 nan 4.420 nan 0.000 0.272 34 P C 0.880 178.212 177.300 0.053 0.000 1.230 34 P CA -0.173 62.953 63.100 0.044 0.000 0.788 34 P CB 0.892 32.615 31.700 0.038 0.000 0.949 35 A N 2.118 124.967 122.820 0.049 0.000 1.978 35 A HA -0.161 4.146 4.320 -0.021 0.000 0.220 35 A C 2.089 179.691 177.584 0.031 0.000 1.170 35 A CA 2.103 54.178 52.037 0.063 0.000 0.636 35 A CB -1.616 17.404 19.000 0.033 0.000 0.810 35 A HN 0.568 nan 8.150 nan 0.000 0.448 36 A N -0.411 122.405 122.820 -0.006 0.000 1.969 36 A HA -0.125 4.183 4.320 -0.021 0.000 0.218 36 A C 1.631 179.246 177.584 0.051 0.000 1.169 36 A CA 1.634 53.658 52.037 -0.022 0.000 0.635 36 A CB -0.317 18.679 19.000 -0.006 0.000 0.810 36 A HN 0.460 nan 8.150 nan 0.000 0.445 37 D N -0.424 120.018 120.400 0.070 0.000 2.348 37 D HA 0.125 4.753 4.640 -0.021 0.000 0.211 37 D C 0.386 176.741 176.300 0.092 0.000 0.998 37 D CA 0.156 54.205 54.000 0.082 0.000 0.873 37 D CB 0.014 40.852 40.800 0.062 0.000 0.925 37 D HN 0.433 nan 8.370 nan 0.000 0.524 38 I N 1.541 122.188 120.570 0.128 0.000 2.533 38 I HA 0.097 4.255 4.170 -0.021 0.000 0.284 38 I C 1.373 177.609 176.117 0.199 0.000 1.109 38 I CA -0.237 61.151 61.300 0.148 0.000 1.412 38 I CB 0.972 39.078 38.000 0.176 0.000 1.396 38 I HN -0.187 nan 8.210 nan 0.000 0.543 39 G N 6.716 115.572 108.800 0.094 0.000 2.483 39 G HA2 0.017 3.965 3.960 -0.021 0.000 0.248 39 G HA3 0.017 3.965 3.960 -0.021 0.000 0.248 39 G C 0.784 175.766 174.900 0.136 0.000 1.248 39 G CA -0.545 44.571 45.100 0.026 0.000 0.838 39 G HN 0.992 nan 8.290 nan 0.000 0.566 40 W N 2.254 123.714 121.300 0.266 0.000 2.425 40 W HA -0.052 4.595 4.660 -0.021 0.000 0.277 40 W C 1.671 178.400 176.519 0.348 0.000 1.231 40 W CA 0.238 57.828 57.345 0.408 0.000 1.248 40 W CB -0.450 29.352 29.460 0.570 0.000 1.117 40 W HN 0.552 nan 8.180 nan 0.000 0.568 41 R N 1.555 121.914 120.500 -0.234 0.000 2.120 41 R HA -0.195 4.133 4.340 -0.021 0.000 0.234 41 R C 2.265 178.541 176.300 -0.040 0.000 1.123 41 R CA 2.271 58.243 56.100 -0.213 0.000 0.975 41 R CB -0.672 29.318 30.300 -0.517 0.000 0.866 41 R HN 0.415 nan 8.270 nan 0.000 0.446 42 E N -1.439 118.736 120.200 -0.041 0.000 2.086 42 E HA -0.144 4.193 4.350 -0.021 0.000 0.190 42 E C 1.590 178.174 176.600 -0.026 0.000 0.975 42 E CA 0.789 57.174 56.400 -0.025 0.000 0.813 42 E CB -0.233 29.454 29.700 -0.022 0.000 0.768 42 E HN 0.347 nan 8.360 nan 0.000 0.457 43 F N 0.503 120.321 119.950 -0.220 0.000 2.146 43 F HA 0.042 4.557 4.527 -0.020 0.000 0.298 43 F C 0.152 175.659 175.800 -0.488 0.000 1.096 43 F CA 0.855 58.554 58.000 -0.502 0.000 1.275 43 F CB 0.055 38.432 39.000 -1.039 0.000 1.008 43 F HN -0.138 nan 8.300 nan 0.000 0.480 44 F N 1.758 121.638 119.950 -0.116 0.000 2.375 44 F HA 0.342 4.857 4.527 -0.021 0.000 0.362 44 F C 1.367 177.102 175.800 -0.108 0.000 1.129 44 F CA -0.488 57.412 58.000 -0.167 0.000 1.154 44 F CB 0.584 39.610 39.000 0.043 0.000 1.205 44 F HN -0.199 nan 8.300 nan 0.000 0.513 45 R N 0.058 120.542 120.500 -0.026 0.000 2.148 45 R HA -0.087 4.240 4.340 -0.021 0.000 0.223 45 R C 0.239 176.551 176.300 0.020 0.000 1.088 45 R CA 0.552 56.638 56.100 -0.023 0.000 0.985 45 R CB -0.103 30.156 30.300 -0.069 0.000 0.880 45 R HN 0.481 nan 8.270 nan 0.000 0.451 46 D N 1.752 122.181 120.400 0.047 0.000 2.358 46 D HA 0.011 4.639 4.640 -0.021 0.000 0.258 46 D C -1.476 174.829 176.300 0.008 0.000 1.223 46 D CA -2.041 51.982 54.000 0.038 0.000 0.886 46 D CB 1.428 42.273 40.800 0.076 0.000 1.120 46 D HN -0.014 nan 8.370 nan 0.000 0.482 47 P HA -0.141 nan 4.420 nan 0.000 0.221 47 P C 1.239 178.518 177.300 -0.034 0.000 1.150 47 P CA 0.821 63.920 63.100 -0.001 0.000 0.800 47 P CB 0.339 32.041 31.700 0.003 0.000 0.787 48 Q N -0.427 119.342 119.800 -0.052 0.000 2.167 48 Q HA -0.119 4.208 4.340 -0.021 0.000 0.202 48 Q C 2.029 177.842 176.000 -0.312 0.000 0.970 48 Q CA 0.811 56.554 55.803 -0.100 0.000 0.855 48 Q CB -0.502 28.241 28.738 0.009 0.000 0.911 48 Q HN 0.060 nan 8.270 nan 0.000 0.438 49 L N 0.641 121.584 121.223 -0.466 0.000 2.156 49 L HA -0.097 4.230 4.340 -0.021 0.000 0.208 49 L C 1.949 178.625 176.870 -0.324 0.000 1.095 49 L CA 1.697 56.133 54.840 -0.673 0.000 0.770 49 L CB -0.330 41.321 42.059 -0.679 0.000 0.914 49 L HN 0.239 nan 8.230 nan 0.000 0.439 50 Q N -0.986 118.756 119.800 -0.096 0.000 2.119 50 Q HA -0.263 4.065 4.340 -0.021 0.000 0.201 50 Q C 2.201 178.262 176.000 0.102 0.000 0.972 50 Q CA 1.830 57.714 55.803 0.135 0.000 0.847 50 Q CB -0.184 28.663 28.738 0.182 0.000 0.903 50 Q HN 0.643 nan 8.270 nan 0.000 0.433 51 Q N 0.591 120.389 119.800 -0.003 0.000 2.119 51 Q HA -0.129 4.198 4.340 -0.021 0.000 0.201 51 Q C 2.015 177.977 176.000 -0.063 0.000 0.972 51 Q CA 0.807 56.604 55.803 -0.009 0.000 0.847 51 Q CB 0.081 28.807 28.738 -0.020 0.000 0.903 51 Q HN 0.372 nan 8.270 nan 0.000 0.433 52 L N 0.176 121.314 121.223 -0.142 0.000 2.017 52 L HA -0.203 4.124 4.340 -0.021 0.000 0.208 52 L C 2.337 179.083 176.870 -0.208 0.000 1.073 52 L CA 1.008 55.745 54.840 -0.173 0.000 0.745 52 L CB -0.372 41.543 42.059 -0.241 0.000 0.894 52 L HN 0.309 nan 8.230 nan 0.000 0.432 53 I N -0.208 120.183 120.570 -0.299 0.000 2.286 53 I HA -0.216 3.942 4.170 -0.021 0.000 0.248 53 I C 2.616 178.499 176.117 -0.391 0.000 1.115 53 I CA 1.399 62.423 61.300 -0.460 0.000 1.392 53 I CB -0.855 36.662 38.000 -0.804 0.000 1.065 53 I HN 0.282 nan 8.210 nan 0.000 0.418 54 G N 0.499 109.189 108.800 -0.184 0.000 2.418 54 G HA2 -0.183 3.765 3.960 -0.021 0.000 0.217 54 G HA3 -0.183 3.765 3.960 -0.021 0.000 0.217 54 G C 1.717 176.592 174.900 -0.043 0.000 1.158 54 G CA 0.854 45.945 45.100 -0.014 0.000 0.771 54 G HN 0.246 nan 8.290 nan 0.000 0.545 55 V N 1.469 121.347 119.914 -0.060 0.000 2.343 55 V HA -0.129 3.979 4.120 -0.021 0.000 0.247 55 V C 3.313 179.369 176.094 -0.064 0.000 1.051 55 V CA 2.043 64.314 62.300 -0.049 0.000 1.036 55 V CB -0.787 31.008 31.823 -0.047 0.000 0.654 55 V HN 0.475 nan 8.190 nan 0.000 0.451 56 A N -0.427 122.330 122.820 -0.104 0.000 1.930 56 A HA -0.112 4.195 4.320 -0.021 0.000 0.217 56 A C 2.176 179.704 177.584 -0.092 0.000 1.175 56 A CA 1.500 53.475 52.037 -0.103 0.000 0.627 56 A CB -0.509 18.406 19.000 -0.142 0.000 0.815 56 A HN 0.508 nan 8.150 nan 0.000 0.443 57 L N -0.525 120.627 121.223 -0.118 0.000 2.265 57 L HA -0.186 4.141 4.340 -0.021 0.000 0.215 57 L C 2.496 179.350 176.870 -0.027 0.000 1.117 57 L CA 1.785 56.576 54.840 -0.082 0.000 0.782 57 L CB -0.351 41.649 42.059 -0.097 0.000 0.914 57 L HN 0.791 nan 8.230 nan 0.000 0.441 58 E N -1.894 118.293 120.200 -0.022 0.000 2.413 58 E HA -0.016 4.321 4.350 -0.021 0.000 0.203 58 E C 1.507 178.106 176.600 -0.002 0.000 0.957 58 E CA 0.042 56.441 56.400 -0.002 0.000 0.950 58 E CB 0.138 29.841 29.700 0.005 0.000 0.957 58 E HN 0.311 nan 8.360 nan 0.000 0.497 59 N N 0.852 119.544 118.700 -0.012 0.000 2.414 59 N HA -0.023 4.704 4.740 -0.021 0.000 0.177 59 N C 0.046 175.552 175.510 -0.008 0.000 1.062 59 N CA 0.022 53.066 53.050 -0.009 0.000 0.890 59 N CB 0.028 38.508 38.487 -0.012 0.000 1.070 59 N HN 0.149 nan 8.380 nan 0.000 0.454 60 N N 2.304 120.996 118.700 -0.015 0.000 2.411 60 N HA -0.053 4.674 4.740 -0.021 0.000 0.261 60 N C 0.775 176.286 175.510 0.002 0.000 1.248 60 N CA 0.090 53.134 53.050 -0.011 0.000 0.885 60 N CB 0.791 39.265 38.487 -0.021 0.000 1.062 60 N HN -0.019 nan 8.380 nan 0.000 0.471 61 R N 2.874 123.377 120.500 0.006 0.000 2.115 61 R HA -0.036 4.292 4.340 -0.021 0.000 0.226 61 R C 0.878 177.189 176.300 0.019 0.000 1.100 61 R CA 0.820 56.928 56.100 0.013 0.000 0.980 61 R CB -0.525 29.783 30.300 0.012 0.000 0.875 61 R HN 0.623 nan 8.270 nan 0.000 0.445 62 D N 0.419 120.829 120.400 0.016 0.000 2.178 62 D HA -0.101 4.526 4.640 -0.021 0.000 0.202 62 D C 1.669 177.985 176.300 0.026 0.000 0.974 62 D CA 0.553 54.566 54.000 0.020 0.000 0.841 62 D CB 0.021 40.830 40.800 0.015 0.000 0.953 62 D HN -0.001 nan 8.370 nan 0.000 0.478 63 L N 0.330 121.568 121.223 0.025 0.000 2.240 63 L HA 0.067 4.395 4.340 -0.021 0.000 0.211 63 L C 2.129 179.028 176.870 0.049 0.000 1.106 63 L CA 1.211 56.074 54.840 0.039 0.000 0.793 63 L CB -0.241 41.839 42.059 0.035 0.000 0.927 63 L HN -0.164 nan 8.230 nan 0.000 0.446 64 R N -1.357 119.166 120.500 0.039 0.000 2.081 64 R HA -0.116 4.211 4.340 -0.021 0.000 0.235 64 R C 2.091 178.421 176.300 0.050 0.000 1.131 64 R CA 1.677 57.803 56.100 0.044 0.000 0.960 64 R CB -0.189 30.130 30.300 0.033 0.000 0.856 64 R HN 0.271 nan 8.270 nan 0.000 0.436 65 V N 0.791 120.733 119.914 0.045 0.000 2.343 65 V HA -0.225 3.883 4.120 -0.021 0.000 0.247 65 V C 2.391 178.524 176.094 0.064 0.000 1.051 65 V CA 1.907 64.239 62.300 0.052 0.000 1.036 65 V CB -0.691 31.160 31.823 0.045 0.000 0.654 65 V HN 0.504 nan 8.190 nan 0.000 0.451 66 A N -0.052 122.802 122.820 0.056 0.000 1.933 66 A HA -0.058 4.249 4.320 -0.021 0.000 0.218 66 A C 2.369 179.993 177.584 0.066 0.000 1.175 66 A CA 1.970 54.039 52.037 0.054 0.000 0.628 66 A CB -0.613 18.410 19.000 0.039 0.000 0.814 66 A HN 0.567 nan 8.150 nan 0.000 0.444 67 A N -0.666 122.201 122.820 0.078 0.000 1.970 67 A HA 0.164 4.472 4.320 -0.021 0.000 0.216 67 A C 2.074 179.718 177.584 0.101 0.000 1.170 67 A CA 1.107 53.200 52.037 0.094 0.000 0.645 67 A CB -0.418 18.643 19.000 0.101 0.000 0.816 67 A HN 0.439 nan 8.150 nan 0.000 0.447 68 L N -0.614 120.663 121.223 0.091 0.000 2.156 68 L HA -0.131 4.197 4.340 -0.021 0.000 0.208 68 L C 2.188 179.131 176.870 0.122 0.000 1.095 68 L CA 1.159 56.055 54.840 0.093 0.000 0.770 68 L CB -0.505 41.596 42.059 0.071 0.000 0.914 68 L HN 0.450 nan 8.230 nan 0.000 0.439 69 N N -0.678 118.105 118.700 0.140 0.000 2.149 69 N HA -0.179 4.549 4.740 -0.021 0.000 0.188 69 N C 1.794 177.490 175.510 0.309 0.000 1.019 69 N CA 1.112 54.295 53.050 0.223 0.000 0.857 69 N CB -0.001 38.609 38.487 0.206 0.000 0.997 69 N HN 0.041 nan 8.380 nan 0.000 0.426 70 V N 1.298 121.339 119.914 0.213 0.000 2.407 70 V HA -0.212 3.896 4.120 -0.021 0.000 0.248 70 V C 1.915 178.204 176.094 0.325 0.000 1.055 70 V CA 1.638 64.086 62.300 0.247 0.000 1.049 70 V CB -0.454 31.461 31.823 0.153 0.000 0.662 70 V HN 0.343 nan 8.190 nan 0.000 0.455 71 E N 0.272 120.602 120.200 0.217 0.000 2.106 71 E HA -0.138 4.200 4.350 -0.021 0.000 0.192 71 E C 2.354 179.028 176.600 0.125 0.000 0.984 71 E CA 1.180 57.671 56.400 0.152 0.000 0.806 71 E CB -0.273 29.489 29.700 0.103 0.000 0.750 71 E HN 0.609 nan 8.360 nan 0.000 0.458 72 A N 0.691 123.592 122.820 0.136 0.000 1.898 72 A HA -0.139 4.169 4.320 -0.021 0.000 0.216 72 A C 1.828 179.419 177.584 0.012 0.000 1.181 72 A CA 1.038 53.102 52.037 0.045 0.000 0.620 72 A CB -0.634 18.371 19.000 0.008 0.000 0.819 72 A HN 0.163 nan 8.150 nan 0.000 0.442 73 F N -0.541 119.470 119.950 0.102 0.000 2.325 73 F HA 0.019 4.533 4.527 -0.021 0.000 0.299 73 F C 2.402 178.278 175.800 0.126 0.000 1.090 73 F CA 1.373 59.452 58.000 0.132 0.000 1.392 73 F CB -0.074 39.026 39.000 0.166 0.000 1.053 73 F HN 0.163 nan 8.300 nan 0.000 0.521 74 R N 0.438 121.066 120.500 0.215 0.000 2.075 74 R HA -0.099 4.229 4.340 -0.021 0.000 0.232 74 R C 2.349 178.640 176.300 -0.015 0.000 1.126 74 R CA 1.188 57.204 56.100 -0.140 0.000 0.963 74 R CB -0.409 29.692 30.300 -0.332 0.000 0.858 74 R HN 0.216 nan 8.270 nan 0.000 0.435 75 A N 0.416 123.237 122.820 0.002 0.000 1.972 75 A HA -0.216 4.091 4.320 -0.021 0.000 0.219 75 A C 2.023 179.591 177.584 -0.026 0.000 1.169 75 A CA 1.477 53.501 52.037 -0.023 0.000 0.635 75 A CB -0.428 18.557 19.000 -0.024 0.000 0.810 75 A HN 0.390 nan 8.150 nan 0.000 0.446 76 Q N -1.725 118.072 119.800 -0.005 0.000 2.172 76 Q HA -0.138 4.190 4.340 -0.021 0.000 0.200 76 Q C 1.738 177.775 176.000 0.063 0.000 0.964 76 Q CA 1.790 57.590 55.803 -0.005 0.000 0.855 76 Q CB -0.524 28.178 28.738 -0.060 0.000 0.918 76 Q HN 0.802 nan 8.270 nan 0.000 0.444 77 Y N 0.101 120.395 120.300 -0.010 0.000 2.242 77 Y HA -0.076 4.462 4.550 -0.021 0.000 0.291 77 Y C 1.709 177.597 175.900 -0.021 0.000 1.137 77 Y CA 1.570 59.666 58.100 -0.007 0.000 1.181 77 Y CB -0.030 38.405 38.460 -0.042 0.000 0.989 77 Y HN -0.011 nan 8.280 nan 0.000 0.527 78 R N 0.145 120.433 120.500 -0.353 0.000 2.092 78 R HA -0.078 4.250 4.340 -0.021 0.000 0.231 78 R C 2.285 178.440 176.300 -0.241 0.000 1.119 78 R CA 1.809 57.665 56.100 -0.407 0.000 0.970 78 R CB -0.405 29.770 30.300 -0.210 0.000 0.864 78 R HN 0.408 nan 8.270 nan 0.000 0.440 79 I N 0.850 121.337 120.570 -0.138 0.000 2.226 79 I HA -0.294 3.864 4.170 -0.021 0.000 0.245 79 I C 2.208 178.289 176.117 -0.061 0.000 1.100 79 I CA 1.496 62.749 61.300 -0.078 0.000 1.374 79 I CB -0.170 37.801 38.000 -0.048 0.000 1.057 79 I HN 0.236 nan 8.210 nan 0.000 0.413 80 Q N -0.209 119.551 119.800 -0.068 0.000 2.331 80 Q HA -0.089 4.238 4.340 -0.021 0.000 0.203 80 Q C 2.212 178.188 176.000 -0.041 0.000 0.944 80 Q CA 0.355 56.143 55.803 -0.026 0.000 0.892 80 Q CB 0.050 28.801 28.738 0.022 0.000 0.983 80 Q HN 0.396 nan 8.270 nan 0.000 0.482 81 R N 0.527 120.935 120.500 -0.153 0.000 2.115 81 R HA -0.045 4.283 4.340 -0.021 0.000 0.226 81 R C 1.879 178.213 176.300 0.057 0.000 1.100 81 R CA 1.086 57.115 56.100 -0.118 0.000 0.980 81 R CB -0.029 30.047 30.300 -0.373 0.000 0.875 81 R HN 0.167 nan 8.270 nan 0.000 0.445 82 A N 0.601 123.439 122.820 0.031 0.000 2.067 82 A HA -0.074 4.234 4.320 -0.021 0.000 0.217 82 A C 1.359 179.040 177.584 0.161 0.000 1.156 82 A CA 1.128 53.240 52.037 0.125 0.000 0.683 82 A CB -0.127 18.882 19.000 0.014 0.000 0.808 82 A HN 0.306 nan 8.150 nan 0.000 0.455 83 D N -0.038 120.418 120.400 0.093 0.000 2.351 83 D HA -0.060 4.568 4.640 -0.021 0.000 0.216 83 D C 1.599 177.973 176.300 0.124 0.000 0.968 83 D CA 0.677 54.734 54.000 0.095 0.000 0.899 83 D CB -0.010 40.825 40.800 0.059 0.000 0.907 83 D HN 0.468 nan 8.370 nan 0.000 0.514 84 L N -0.759 120.514 121.223 0.083 0.000 2.240 84 L HA 0.008 4.336 4.340 -0.021 0.000 0.211 84 L C 0.515 177.368 176.870 -0.028 0.000 1.106 84 L CA 0.369 55.185 54.840 -0.041 0.000 0.793 84 L CB 0.027 41.931 42.059 -0.259 0.000 0.927 84 L HN -0.137 nan 8.230 nan 0.000 0.446 85 F N 0.399 120.430 119.950 0.134 0.000 2.399 85 F HA 0.348 4.868 4.527 -0.012 0.000 0.334 85 F C -1.789 173.852 175.800 -0.266 0.000 1.097 85 F CA -2.854 55.130 58.000 -0.026 0.000 1.076 85 F CB 0.207 39.158 39.000 -0.082 0.000 1.162 85 F HN -0.239 nan 8.300 nan 0.000 0.495 86 P HA 0.045 nan 4.420 nan 0.000 0.271 86 P C -0.713 176.385 177.300 -0.336 0.000 1.220 86 P CA -0.346 62.203 63.100 -0.918 0.000 0.768 86 P CB 0.715 31.550 31.700 -1.442 0.000 0.848 87 R N 3.939 124.331 120.500 -0.180 0.000 2.248 87 R HA 0.296 4.623 4.340 -0.021 0.000 0.337 87 R C -0.187 176.061 176.300 -0.087 0.000 1.085 87 R CA -0.420 55.627 56.100 -0.089 0.000 0.934 87 R CB -0.461 29.822 30.300 -0.029 0.000 1.034 87 R HN 0.488 nan 8.270 nan 0.000 0.465 88 I N 3.857 124.374 120.570 -0.089 0.000 2.315 88 I HA 0.381 4.539 4.170 -0.021 0.000 0.291 88 I C 0.796 176.892 176.117 -0.035 0.000 1.006 88 I CA -0.249 61.012 61.300 -0.065 0.000 1.265 88 I CB 1.830 39.785 38.000 -0.075 0.000 1.387 88 I HN 0.659 nan 8.210 nan 0.000 0.475 89 G N 4.682 113.473 108.800 -0.015 0.000 2.798 89 G HA2 0.640 4.587 3.960 -0.021 0.000 0.286 89 G HA3 0.640 4.587 3.960 -0.021 0.000 0.286 89 G C -1.401 173.508 174.900 0.014 0.000 1.389 89 G CA -0.530 44.569 45.100 -0.002 0.000 0.894 89 G HN 0.247 nan 8.290 nan 0.000 0.488 90 V N 0.709 120.636 119.914 0.022 0.000 2.364 90 V HA 0.359 4.467 4.120 -0.021 0.000 0.272 90 V C -0.810 175.306 176.094 0.038 0.000 1.036 90 V CA -0.293 62.029 62.300 0.038 0.000 0.880 90 V CB 1.255 33.106 31.823 0.045 0.000 0.991 90 V HN 0.694 nan 8.190 nan 0.000 0.460 91 D N 3.756 124.181 120.400 0.041 0.000 2.414 91 D HA 0.577 5.204 4.640 -0.021 0.000 0.232 91 D C 0.257 176.582 176.300 0.041 0.000 1.070 91 D CA 0.030 54.052 54.000 0.036 0.000 0.839 91 D CB 1.368 42.187 40.800 0.031 0.000 1.079 91 D HN 0.692 nan 8.370 nan 0.000 0.521 92 G N 1.717 110.544 108.800 0.044 0.000 2.343 92 G HA2 0.511 4.459 3.960 -0.021 0.000 0.319 92 G HA3 0.511 4.459 3.960 -0.021 0.000 0.319 92 G C -0.638 174.288 174.900 0.044 0.000 1.126 92 G CA -0.573 44.557 45.100 0.050 0.000 0.889 92 G HN 0.414 nan 8.290 nan 0.000 0.457 93 S N 0.836 116.562 115.700 0.044 0.000 2.541 93 S HA 0.863 5.321 4.470 -0.021 0.000 0.280 93 S C -0.206 174.406 174.600 0.020 0.000 1.112 93 S CA -0.492 57.722 58.200 0.022 0.000 0.925 93 S CB 2.120 65.319 63.200 -0.003 0.000 1.067 93 S HN 1.188 nan 8.310 nan 0.000 0.479 94 G N 0.520 109.304 108.800 -0.026 0.000 2.481 94 G HA2 0.731 4.679 3.960 -0.021 0.000 0.315 94 G HA3 0.731 4.679 3.960 -0.021 0.000 0.315 94 G C -1.304 173.450 174.900 -0.243 0.000 1.231 94 G CA -0.859 44.138 45.100 -0.172 0.000 0.968 94 G HN 0.834 nan 8.290 nan 0.000 0.482 95 T N 0.223 114.519 114.554 -0.429 0.000 3.172 95 T HA 0.569 4.907 4.350 -0.021 0.000 0.320 95 T C -0.667 173.860 174.700 -0.288 0.000 1.085 95 T CA -0.626 61.311 62.100 -0.271 0.000 1.052 95 T CB 1.838 70.585 68.868 -0.202 0.000 1.107 95 T HN 0.607 nan 8.240 nan 0.000 0.458 96 R N 2.985 123.389 120.500 -0.159 0.000 2.531 96 R HA 0.411 4.739 4.340 -0.021 0.000 0.293 96 R C -1.419 174.846 176.300 -0.059 0.000 1.124 96 R CA -0.548 55.490 56.100 -0.103 0.000 0.945 96 R CB 1.031 31.294 30.300 -0.061 0.000 1.195 96 R HN 0.805 nan 8.270 nan 0.000 0.433 97 Q N 3.412 123.182 119.800 -0.050 0.000 2.331 97 Q HA 0.415 4.743 4.340 -0.021 0.000 0.272 97 Q C -1.283 174.704 176.000 -0.023 0.000 1.062 97 Q CA -1.128 54.656 55.803 -0.033 0.000 0.806 97 Q CB 2.535 31.252 28.738 -0.035 0.000 1.312 97 Q HN 0.370 nan 8.270 nan 0.000 0.431 98 R N 2.957 123.447 120.500 -0.016 0.000 2.340 98 R HA 0.422 4.749 4.340 -0.021 0.000 0.300 98 R C -1.205 175.088 176.300 -0.012 0.000 1.069 98 R CA -0.212 55.881 56.100 -0.011 0.000 0.984 98 R CB 0.527 30.822 30.300 -0.007 0.000 1.003 98 R HN 0.737 nan 8.270 nan 0.000 0.459 99 L N 7.317 128.534 121.223 -0.011 0.000 2.341 99 L HA 0.520 4.848 4.340 -0.021 0.000 0.278 99 L C -1.905 174.961 176.870 -0.008 0.000 1.005 99 L CA -2.331 52.503 54.840 -0.010 0.000 0.818 99 L CB 2.103 44.155 42.059 -0.012 0.000 1.259 99 L HN 0.608 nan 8.230 nan 0.000 0.418 100 P HA 0.040 nan 4.420 nan 0.000 0.272 100 P C 0.696 177.993 177.300 -0.005 0.000 1.240 100 P CA -0.227 62.870 63.100 -0.005 0.000 0.791 100 P CB 0.808 32.505 31.700 -0.005 0.000 0.978 101 G N 2.006 110.804 108.800 -0.004 0.000 2.574 101 G HA2 -0.323 3.625 3.960 -0.021 0.000 0.220 101 G HA3 -0.323 3.625 3.960 -0.021 0.000 0.220 101 G C 0.901 175.799 174.900 -0.004 0.000 1.173 101 G CA 1.515 46.612 45.100 -0.004 0.000 0.772 101 G HN 0.625 nan 8.290 nan 0.000 0.585 102 D N 0.223 120.620 120.400 -0.004 0.000 2.269 102 D HA -0.015 4.613 4.640 -0.021 0.000 0.208 102 D C 2.196 178.493 176.300 -0.005 0.000 0.963 102 D CA 0.506 54.504 54.000 -0.004 0.000 0.864 102 D CB -0.376 40.421 40.800 -0.004 0.000 0.936 102 D HN 0.444 nan 8.370 nan 0.000 0.505 103 L N 0.255 121.475 121.223 -0.006 0.000 2.463 103 L HA 0.149 4.477 4.340 -0.021 0.000 0.219 103 L C 1.065 177.930 176.870 -0.008 0.000 1.088 103 L CA -0.009 54.827 54.840 -0.007 0.000 0.849 103 L CB -0.005 42.050 42.059 -0.008 0.000 1.012 103 L HN -0.007 nan 8.230 nan 0.000 0.468 104 S N -1.235 114.461 115.700 -0.007 0.000 2.600 104 S HA 0.044 4.502 4.470 -0.021 0.000 0.265 104 S C 1.315 175.911 174.600 -0.007 0.000 1.325 104 S CA 0.031 58.226 58.200 -0.007 0.000 1.002 104 S CB 1.055 64.251 63.200 -0.007 0.000 0.921 104 S HN 0.296 nan 8.310 nan 0.000 0.554 105 T N -2.338 112.212 114.554 -0.007 0.000 3.023 105 T HA -0.048 4.290 4.350 -0.021 0.000 0.266 105 T C 1.698 176.395 174.700 -0.005 0.000 1.093 105 T CA 1.076 63.172 62.100 -0.006 0.000 1.129 105 T CB -1.143 67.720 68.868 -0.007 0.000 0.899 105 T HN 0.855 nan 8.240 nan 0.000 0.491 106 T N -2.062 112.489 114.554 -0.005 0.000 3.054 106 T HA 0.441 4.779 4.350 -0.021 0.000 0.259 106 T C 2.022 176.720 174.700 -0.003 0.000 1.092 106 T CA 0.724 62.822 62.100 -0.004 0.000 1.121 106 T CB -0.408 68.458 68.868 -0.003 0.000 0.912 106 T HN 0.860 nan 8.240 nan 0.000 0.489 107 G N 1.091 109.888 108.800 -0.004 0.000 2.176 107 G HA2 -0.184 3.764 3.960 -0.021 0.000 0.232 107 G HA3 -0.184 3.764 3.960 -0.021 0.000 0.232 107 G C 0.206 175.104 174.900 -0.003 0.000 0.986 107 G CA 0.219 45.317 45.100 -0.003 0.000 0.643 107 G HN 1.415 nan 8.290 nan 0.000 0.522 108 S N -0.798 114.900 115.700 -0.003 0.000 2.599 108 S HA 0.779 5.237 4.470 -0.021 0.000 0.287 108 S C -3.250 171.348 174.600 -0.003 0.000 1.105 108 S CA -1.689 56.509 58.200 -0.003 0.000 0.899 108 S CB 2.760 65.958 63.200 -0.002 0.000 1.100 108 S HN 0.027 nan 8.310 nan 0.000 0.482 109 P HA 0.262 nan 4.420 nan 0.000 0.253 109 P C -0.872 176.426 177.300 -0.003 0.000 1.159 109 P CA 0.676 63.775 63.100 -0.003 0.000 0.779 109 P CB -0.226 31.473 31.700 -0.002 0.000 0.745 110 A N 4.347 127.164 122.820 -0.004 0.000 2.423 110 A HA 0.739 5.047 4.320 -0.021 0.000 0.304 110 A C -0.736 176.845 177.584 -0.005 0.000 1.104 110 A CA -0.757 51.278 52.037 -0.004 0.000 0.757 110 A CB 1.204 20.201 19.000 -0.004 0.000 1.313 110 A HN 0.406 nan 8.150 nan 0.000 0.423 111 I N 2.435 123.003 120.570 -0.003 0.000 2.359 111 I HA 0.260 4.418 4.170 -0.021 0.000 0.284 111 I C 0.561 176.674 176.117 -0.007 0.000 1.018 111 I CA -0.235 61.062 61.300 -0.005 0.000 1.173 111 I CB 1.649 39.649 38.000 0.001 0.000 1.326 111 I HN 0.715 nan 8.210 nan 0.000 0.462 112 S N 4.032 119.721 115.700 -0.018 0.000 2.632 112 S HA 0.646 5.104 4.470 -0.021 0.000 0.271 112 S C -0.176 174.399 174.600 -0.042 0.000 1.260 112 S CA -0.581 57.604 58.200 -0.025 0.000 1.010 112 S CB 1.991 65.172 63.200 -0.031 0.000 0.965 112 S HN 0.525 nan 8.310 nan 0.000 0.534 113 S N 0.153 115.824 115.700 -0.049 0.000 2.536 113 S HA 0.569 5.027 4.470 -0.021 0.000 0.271 113 S C -1.817 172.705 174.600 -0.129 0.000 1.134 113 S CA -0.598 57.544 58.200 -0.096 0.000 0.897 113 S CB 1.630 64.839 63.200 0.015 0.000 1.094 113 S HN 0.858 nan 8.310 nan 0.000 0.473 114 Q N 2.122 121.730 119.800 -0.320 0.000 2.313 114 Q HA 0.532 4.860 4.340 -0.021 0.000 0.260 114 Q C -2.195 173.522 176.000 -0.471 0.000 0.972 114 Q CA -0.483 55.171 55.803 -0.247 0.000 0.886 114 Q CB 1.375 30.018 28.738 -0.159 0.000 1.373 114 Q HN 0.742 nan 8.270 nan 0.000 0.416 115 Y N 0.152 120.425 120.300 -0.044 0.000 2.602 115 Y HA 0.910 5.448 4.550 -0.021 0.000 0.342 115 Y C 0.392 176.249 175.900 -0.072 0.000 1.029 115 Y CA -0.724 57.344 58.100 -0.053 0.000 1.080 115 Y CB 2.933 41.358 38.460 -0.058 0.000 1.284 115 Y HN 0.657 nan 8.280 nan 0.000 0.485 116 G N 0.204 109.061 108.800 0.095 0.000 2.617 116 G HA2 0.467 4.415 3.960 -0.021 0.000 0.305 116 G HA3 0.467 4.415 3.960 -0.021 0.000 0.305 116 G C -2.498 172.393 174.900 -0.015 0.000 1.436 116 G CA -0.616 44.483 45.100 -0.003 0.000 1.036 116 G HN 0.446 nan 8.290 nan 0.000 0.589 117 V N 1.653 121.517 119.914 -0.083 0.000 2.378 117 V HA 0.818 4.925 4.120 -0.021 0.000 0.288 117 V C 0.285 176.381 176.094 0.003 0.000 1.016 117 V CA -0.358 61.926 62.300 -0.027 0.000 0.840 117 V CB 1.348 33.157 31.823 -0.024 0.000 0.994 117 V HN 0.888 nan 8.190 nan 0.000 0.431 118 T N 4.701 119.281 114.554 0.044 0.000 2.883 118 T HA 0.758 5.096 4.350 -0.021 0.000 0.296 118 T C -1.647 173.093 174.700 0.067 0.000 1.117 118 T CA -0.455 61.679 62.100 0.057 0.000 1.006 118 T CB 1.676 70.575 68.868 0.051 0.000 1.191 118 T HN 0.491 nan 8.240 nan 0.000 0.508 119 L N 2.402 123.667 121.223 0.071 0.000 2.372 119 L HA 0.856 5.183 4.340 -0.021 0.000 0.274 119 L C -0.116 176.786 176.870 0.054 0.000 0.988 119 L CA 0.385 55.259 54.840 0.058 0.000 0.833 119 L CB 1.038 43.132 42.059 0.058 0.000 1.236 119 L HN 0.898 nan 8.230 nan 0.000 0.410 120 G N 1.931 110.754 108.800 0.037 0.000 2.428 120 G HA2 0.458 4.406 3.960 -0.021 0.000 0.305 120 G HA3 0.458 4.406 3.960 -0.021 0.000 0.305 120 G C -1.533 173.373 174.900 0.011 0.000 1.260 120 G CA -0.324 44.796 45.100 0.033 0.000 0.853 120 G HN 0.416 nan 8.290 nan 0.000 0.480 121 T N 0.297 114.861 114.554 0.017 0.000 2.824 121 T HA 0.617 4.954 4.350 -0.021 0.000 0.282 121 T C -0.417 174.313 174.700 0.050 0.000 0.993 121 T CA -0.221 61.885 62.100 0.011 0.000 0.967 121 T CB 1.619 70.467 68.868 -0.033 0.000 0.960 121 T HN 0.821 nan 8.240 nan 0.000 0.441 122 T N 1.118 115.703 114.554 0.051 0.000 2.779 122 T HA 0.534 4.872 4.350 -0.021 0.000 0.280 122 T C 0.508 175.255 174.700 0.079 0.000 0.987 122 T CA 0.262 62.395 62.100 0.055 0.000 0.966 122 T CB 0.267 69.157 68.868 0.037 0.000 0.933 122 T HN 1.320 nan 8.240 nan 0.000 0.442 123 A N 3.410 126.276 122.820 0.077 0.000 2.578 123 A HA -0.137 4.171 4.320 -0.021 0.000 0.298 123 A C -0.148 177.527 177.584 0.152 0.000 1.472 123 A CA 0.611 52.694 52.037 0.077 0.000 0.734 123 A CB -2.298 16.730 19.000 0.047 0.000 1.091 123 A HN 1.089 nan 8.150 nan 0.000 0.426 124 W N 1.655 122.935 121.300 -0.034 0.000 2.387 124 W HA 0.533 5.197 4.660 0.006 0.000 0.310 124 W C 0.252 176.749 176.519 -0.037 0.000 1.181 124 W CA -0.630 56.697 57.345 -0.030 0.000 1.333 124 W CB 0.290 29.735 29.460 -0.026 0.000 1.286 124 W HN 0.551 nan 8.180 nan 0.000 0.455 125 E N 6.054 126.155 120.200 -0.165 0.000 2.104 125 E HA 0.108 4.445 4.350 -0.021 0.000 0.278 125 E C -0.541 175.678 176.600 -0.636 0.000 1.127 125 E CA -0.343 55.873 56.400 -0.306 0.000 0.897 125 E CB 0.312 29.947 29.700 -0.108 0.000 1.043 125 E HN 0.538 nan 8.360 nan 0.000 0.410 126 L N 4.876 125.664 121.223 -0.725 0.000 2.385 126 L HA 0.044 4.372 4.340 -0.021 0.000 0.281 126 L C 0.348 176.996 176.870 -0.371 0.000 1.106 126 L CA -0.108 54.298 54.840 -0.724 0.000 0.856 126 L CB 0.430 42.099 42.059 -0.651 0.000 1.186 126 L HN 0.548 nan 8.230 nan 0.000 0.453 127 D N 3.203 123.425 120.400 -0.297 0.000 2.671 127 D HA 0.008 4.636 4.640 -0.021 0.000 0.228 127 D C 0.955 177.145 176.300 -0.183 0.000 1.102 127 D CA -0.046 53.849 54.000 -0.174 0.000 1.044 127 D CB 0.470 41.193 40.800 -0.129 0.000 1.113 127 D HN 0.356 nan 8.370 nan 0.000 0.480 128 L N 1.294 122.389 121.223 -0.212 0.000 2.027 128 L HA 0.043 4.371 4.340 -0.021 0.000 0.206 128 L C 1.137 177.692 176.870 -0.524 0.000 1.074 128 L CA 1.673 56.282 54.840 -0.384 0.000 0.745 128 L CB -0.210 41.576 42.059 -0.455 0.000 0.898 128 L HN 0.261 nan 8.230 nan 0.000 0.433 129 F N -0.274 119.616 119.950 -0.100 0.000 2.639 129 F HA 0.398 4.927 4.527 0.003 0.000 0.300 129 F C 1.532 177.252 175.800 -0.132 0.000 1.109 129 F CA 0.241 58.148 58.000 -0.154 0.000 1.335 129 F CB -0.151 38.728 39.000 -0.202 0.000 1.014 129 F HN 0.145 nan 8.300 nan 0.000 0.537 130 G N 1.117 109.917 108.800 -0.001 0.000 2.198 130 G HA2 -0.349 3.599 3.960 -0.021 0.000 0.257 130 G HA3 -0.349 3.599 3.960 -0.021 0.000 0.257 130 G C 1.287 176.198 174.900 0.019 0.000 1.042 130 G CA 0.572 45.666 45.100 -0.009 0.000 0.791 130 G HN 0.421 nan 8.290 nan 0.000 0.502 131 R N -0.656 119.864 120.500 0.034 0.000 2.057 131 R HA 0.145 4.473 4.340 -0.021 0.000 0.229 131 R C 2.556 178.873 176.300 0.028 0.000 1.136 131 R CA 1.475 57.598 56.100 0.039 0.000 0.952 131 R CB -0.229 30.098 30.300 0.045 0.000 0.848 131 R HN 0.508 nan 8.270 nan 0.000 0.430 132 L N 0.024 121.254 121.223 0.012 0.000 2.141 132 L HA -0.078 4.250 4.340 -0.021 0.000 0.209 132 L C 2.657 179.539 176.870 0.021 0.000 1.094 132 L CA 1.111 55.959 54.840 0.014 0.000 0.763 132 L CB -0.291 41.768 42.059 0.000 0.000 0.908 132 L HN 0.170 nan 8.230 nan 0.000 0.437 133 R N -0.671 119.835 120.500 0.010 0.000 2.092 133 R HA -0.086 4.241 4.340 -0.021 0.000 0.231 133 R C 2.509 178.836 176.300 0.044 0.000 1.119 133 R CA 1.346 57.460 56.100 0.023 0.000 0.970 133 R CB -0.220 30.082 30.300 0.004 0.000 0.864 133 R HN 0.246 nan 8.270 nan 0.000 0.440 134 S N 1.127 116.851 115.700 0.039 0.000 2.368 134 S HA -0.068 4.390 4.470 -0.021 0.000 0.225 134 S C 1.923 176.559 174.600 0.061 0.000 1.030 134 S CA 0.962 59.190 58.200 0.047 0.000 0.999 134 S CB -0.118 63.109 63.200 0.045 0.000 0.844 134 S HN 0.218 nan 8.310 nan 0.000 0.459 135 L N 1.090 122.350 121.223 0.061 0.000 2.083 135 L HA -0.084 4.244 4.340 -0.021 0.000 0.209 135 L C 2.768 179.696 176.870 0.096 0.000 1.083 135 L CA 1.212 56.095 54.840 0.072 0.000 0.752 135 L CB -0.470 41.624 42.059 0.058 0.000 0.899 135 L HN 0.277 nan 8.230 nan 0.000 0.433 136 R N 0.355 120.915 120.500 0.100 0.000 2.081 136 R HA -0.179 4.149 4.340 -0.021 0.000 0.235 136 R C 1.644 178.073 176.300 0.216 0.000 1.131 136 R CA 1.937 58.132 56.100 0.158 0.000 0.960 136 R CB -0.134 30.243 30.300 0.128 0.000 0.856 136 R HN 0.306 nan 8.270 nan 0.000 0.436 137 D N 0.213 120.696 120.400 0.137 0.000 2.224 137 D HA -0.160 4.468 4.640 -0.021 0.000 0.205 137 D C 1.790 178.133 176.300 0.072 0.000 0.965 137 D CA 0.784 54.841 54.000 0.095 0.000 0.852 137 D CB -0.134 40.701 40.800 0.058 0.000 0.947 137 D HN 0.405 nan 8.370 nan 0.000 0.494 138 Q N 0.413 120.263 119.800 0.084 0.000 2.050 138 Q HA -0.124 4.204 4.340 -0.021 0.000 0.202 138 Q C 1.992 178.057 176.000 0.109 0.000 0.980 138 Q CA 1.575 57.426 55.803 0.080 0.000 0.840 138 Q CB -0.035 28.754 28.738 0.085 0.000 0.898 138 Q HN 0.198 nan 8.270 nan 0.000 0.424 139 A N 0.585 123.501 122.820 0.159 0.000 1.969 139 A HA -0.142 4.166 4.320 -0.021 0.000 0.218 139 A C 1.956 179.676 177.584 0.226 0.000 1.169 139 A CA 1.034 53.205 52.037 0.222 0.000 0.635 139 A CB -0.591 18.557 19.000 0.247 0.000 0.810 139 A HN 0.481 nan 8.150 nan 0.000 0.445 140 L N -0.170 121.136 121.223 0.139 0.000 2.046 140 L HA -0.122 4.205 4.340 -0.021 0.000 0.208 140 L C 2.075 178.906 176.870 -0.065 0.000 1.077 140 L CA 2.477 57.244 54.840 -0.122 0.000 0.747 140 L CB -0.479 41.419 42.059 -0.267 0.000 0.896 140 L HN 0.457 nan 8.230 nan 0.000 0.432 141 E N -1.313 118.859 120.200 -0.048 0.000 2.285 141 E HA -0.159 4.179 4.350 -0.021 0.000 0.194 141 E C 2.132 178.678 176.600 -0.090 0.000 0.997 141 E CA 0.563 56.904 56.400 -0.099 0.000 0.845 141 E CB 0.075 29.741 29.700 -0.057 0.000 0.782 141 E HN 0.610 nan 8.360 nan 0.000 0.491 142 Q N -0.983 118.815 119.800 -0.004 0.000 2.172 142 Q HA -0.162 4.166 4.340 -0.021 0.000 0.200 142 Q C 1.616 177.558 176.000 -0.097 0.000 0.964 142 Q CA 1.008 56.796 55.803 -0.025 0.000 0.855 142 Q CB -0.087 28.744 28.738 0.154 0.000 0.918 142 Q HN 0.404 nan 8.270 nan 0.000 0.444 143 Y N 0.987 121.240 120.300 -0.078 0.000 2.163 143 Y HA -0.191 4.346 4.550 -0.021 0.000 0.288 143 Y C 1.740 177.508 175.900 -0.220 0.000 1.136 143 Y CA 0.894 58.941 58.100 -0.087 0.000 1.147 143 Y CB -0.240 38.192 38.460 -0.047 0.000 0.987 143 Y HN -0.008 nan 8.280 nan 0.000 0.509 144 L N 0.771 121.626 121.223 -0.614 0.000 2.079 144 L HA -0.141 4.187 4.340 -0.021 0.000 0.210 144 L C 2.674 179.127 176.870 -0.695 0.000 1.081 144 L CA 1.866 56.187 54.840 -0.865 0.000 0.752 144 L CB -1.829 39.625 42.059 -1.008 0.000 0.896 144 L HN 0.442 nan 8.230 nan 0.000 0.433 145 A N -1.633 120.934 122.820 -0.422 0.000 1.898 145 A HA -0.159 4.149 4.320 -0.021 0.000 0.216 145 A C 2.282 179.700 177.584 -0.277 0.000 1.181 145 A CA 1.998 53.914 52.037 -0.202 0.000 0.620 145 A CB -0.833 18.087 19.000 -0.132 0.000 0.819 145 A HN 0.427 nan 8.150 nan 0.000 0.442 146 T N -0.456 113.866 114.554 -0.387 0.000 2.915 146 T HA -0.111 4.227 4.350 -0.021 0.000 0.269 146 T C 1.762 176.293 174.700 -0.282 0.000 1.071 146 T CA 1.328 63.208 62.100 -0.367 0.000 1.132 146 T CB -0.149 68.439 68.868 -0.467 0.000 0.878 146 T HN 0.669 nan 8.240 nan 0.000 0.479 147 E N 0.630 120.600 120.200 -0.383 0.000 2.072 147 E HA -0.170 4.168 4.350 -0.021 0.000 0.191 147 E C 2.276 178.682 176.600 -0.324 0.000 0.985 147 E CA 0.794 56.975 56.400 -0.365 0.000 0.801 147 E CB 0.091 29.480 29.700 -0.519 0.000 0.750 147 E HN 0.340 nan 8.360 nan 0.000 0.452 148 Q N -0.216 119.414 119.800 -0.284 0.000 2.119 148 Q HA -0.078 4.250 4.340 -0.021 0.000 0.201 148 Q C 2.071 177.942 176.000 -0.216 0.000 0.972 148 Q CA 1.200 56.860 55.803 -0.238 0.000 0.847 148 Q CB -0.297 28.372 28.738 -0.116 0.000 0.903 148 Q HN 0.312 nan 8.270 nan 0.000 0.433 149 A N 1.009 123.721 122.820 -0.181 0.000 1.972 149 A HA -0.230 4.078 4.320 -0.021 0.000 0.219 149 A C 2.073 179.585 177.584 -0.120 0.000 1.169 149 A CA 1.599 53.554 52.037 -0.136 0.000 0.635 149 A CB -0.512 18.409 19.000 -0.132 0.000 0.810 149 A HN 0.406 nan 8.150 nan 0.000 0.446 150 Q N -0.331 119.384 119.800 -0.142 0.000 2.079 150 Q HA -0.176 4.152 4.340 -0.021 0.000 0.200 150 Q C 2.224 178.144 176.000 -0.132 0.000 0.974 150 Q CA 1.394 57.141 55.803 -0.095 0.000 0.840 150 Q CB -0.114 28.580 28.738 -0.074 0.000 0.898 150 Q HN 0.693 nan 8.270 nan 0.000 0.430 151 R N -0.392 119.900 120.500 -0.346 0.000 2.115 151 R HA -0.065 4.263 4.340 -0.021 0.000 0.230 151 R C 2.505 178.708 176.300 -0.163 0.000 1.111 151 R CA 1.260 57.066 56.100 -0.490 0.000 0.976 151 R CB -0.266 29.509 30.300 -0.874 0.000 0.870 151 R HN 0.135 nan 8.270 nan 0.000 0.445 152 S N 0.426 116.045 115.700 -0.135 0.000 2.387 152 S HA -0.030 4.428 4.470 -0.021 0.000 0.226 152 S C 2.024 176.610 174.600 -0.023 0.000 1.026 152 S CA 0.878 59.036 58.200 -0.069 0.000 0.972 152 S CB -0.001 63.155 63.200 -0.073 0.000 0.814 152 S HN 0.425 nan 8.310 nan 0.000 0.477 153 A N 0.964 123.775 122.820 -0.016 0.000 1.908 153 A HA -0.187 4.121 4.320 -0.021 0.000 0.218 153 A C 2.108 179.716 177.584 0.041 0.000 1.181 153 A CA 1.923 53.967 52.037 0.012 0.000 0.627 153 A CB -0.881 18.128 19.000 0.016 0.000 0.818 153 A HN 0.705 nan 8.150 nan 0.000 0.445 154 Q N -0.350 119.506 119.800 0.092 0.000 2.016 154 Q HA -0.176 4.152 4.340 -0.021 0.000 0.200 154 Q C 2.198 178.247 176.000 0.080 0.000 0.978 154 Q CA 2.655 58.535 55.803 0.128 0.000 0.833 154 Q CB -0.405 28.526 28.738 0.320 0.000 0.895 154 Q HN 0.763 nan 8.270 nan 0.000 0.427 155 T N -2.326 112.283 114.554 0.091 0.000 2.803 155 T HA -0.130 4.208 4.350 -0.021 0.000 0.269 155 T C 1.775 176.492 174.700 0.028 0.000 1.052 155 T CA 1.709 63.838 62.100 0.049 0.000 1.136 155 T CB -0.648 68.220 68.868 -0.001 0.000 0.864 155 T HN 0.240 nan 8.240 nan 0.000 0.467 156 T N 1.873 116.438 114.554 0.019 0.000 2.812 156 T HA 0.105 4.443 4.350 -0.021 0.000 0.264 156 T C 1.752 176.458 174.700 0.011 0.000 1.042 156 T CA 1.078 63.187 62.100 0.015 0.000 1.140 156 T CB -0.472 68.401 68.868 0.008 0.000 0.870 156 T HN 0.240 nan 8.240 nan 0.000 0.445 157 L N 1.515 122.737 121.223 -0.002 0.000 2.017 157 L HA -0.024 4.304 4.340 -0.021 0.000 0.208 157 L C 2.447 179.278 176.870 -0.065 0.000 1.073 157 L CA 1.498 56.319 54.840 -0.032 0.000 0.745 157 L CB -0.848 41.186 42.059 -0.041 0.000 0.894 157 L HN 0.062 nan 8.230 nan 0.000 0.432 158 V N 0.139 120.009 119.914 -0.073 0.000 2.324 158 V HA -0.346 3.762 4.120 -0.021 0.000 0.250 158 V C 2.782 178.870 176.094 -0.009 0.000 1.060 158 V CA 1.810 64.043 62.300 -0.112 0.000 1.042 158 V CB -1.408 30.388 31.823 -0.045 0.000 0.650 158 V HN 0.628 nan 8.190 nan 0.000 0.450 159 A N -0.843 122.032 122.820 0.092 0.000 1.898 159 A HA -0.177 4.131 4.320 -0.021 0.000 0.216 159 A C 2.483 180.111 177.584 0.074 0.000 1.181 159 A CA 2.056 54.182 52.037 0.150 0.000 0.620 159 A CB -0.646 18.436 19.000 0.138 0.000 0.819 159 A HN 0.494 nan 8.150 nan 0.000 0.442 160 S N -0.431 115.285 115.700 0.026 0.000 2.368 160 S HA -0.127 4.330 4.470 -0.021 0.000 0.225 160 S C 1.918 176.512 174.600 -0.010 0.000 1.030 160 S CA 1.455 59.661 58.200 0.010 0.000 0.999 160 S CB -0.416 62.784 63.200 -0.001 0.000 0.844 160 S HN 0.342 nan 8.310 nan 0.000 0.459 161 V N 1.966 121.847 119.914 -0.056 0.000 2.295 161 V HA -0.192 3.916 4.120 -0.021 0.000 0.246 161 V C 2.657 178.706 176.094 -0.074 0.000 1.049 161 V CA 1.706 63.952 62.300 -0.090 0.000 1.024 161 V CB -1.244 30.471 31.823 -0.179 0.000 0.648 161 V HN 0.533 nan 8.190 nan 0.000 0.447 162 A N -0.220 122.523 122.820 -0.129 0.000 1.883 162 A HA -0.268 4.040 4.320 -0.021 0.000 0.217 162 A C 2.400 180.033 177.584 0.082 0.000 1.186 162 A CA 2.759 54.745 52.037 -0.085 0.000 0.624 162 A CB -1.090 17.864 19.000 -0.078 0.000 0.822 162 A HN 0.515 nan 8.150 nan 0.000 0.444 163 T N 0.172 114.772 114.554 0.076 0.000 2.708 163 T HA 0.006 4.343 4.350 -0.021 0.000 0.266 163 T C 2.248 176.975 174.700 0.044 0.000 1.037 163 T CA 1.618 63.758 62.100 0.067 0.000 1.146 163 T CB -0.503 68.400 68.868 0.058 0.000 0.865 163 T HN 0.619 nan 8.240 nan 0.000 0.435 164 A N 0.613 123.457 122.820 0.040 0.000 1.908 164 A HA -0.135 4.173 4.320 -0.021 0.000 0.218 164 A C 2.110 179.723 177.584 0.048 0.000 1.181 164 A CA 1.728 53.784 52.037 0.032 0.000 0.627 164 A CB -1.062 17.953 19.000 0.025 0.000 0.818 164 A HN 0.600 nan 8.150 nan 0.000 0.445 165 Y N 0.506 120.773 120.300 -0.055 0.000 2.181 165 Y HA -0.144 4.394 4.550 -0.020 0.000 0.288 165 Y C 1.938 177.811 175.900 -0.046 0.000 1.146 165 Y CA 1.882 59.947 58.100 -0.058 0.000 1.164 165 Y CB -0.305 38.105 38.460 -0.084 0.000 0.982 165 Y HN 0.216 nan 8.280 nan 0.000 0.515 166 L N -1.064 120.132 121.223 -0.046 0.000 2.093 166 L HA -0.205 4.123 4.340 -0.021 0.000 0.208 166 L C 2.315 179.100 176.870 -0.141 0.000 1.085 166 L CA 1.693 56.458 54.840 -0.124 0.000 0.755 166 L CB -0.957 41.099 42.059 -0.006 0.000 0.904 166 L HN 0.169 nan 8.230 nan 0.000 0.435 167 T N 0.438 114.941 114.554 -0.086 0.000 2.708 167 T HA -0.200 4.137 4.350 -0.021 0.000 0.266 167 T C 1.843 176.480 174.700 -0.104 0.000 1.037 167 T CA 1.485 63.540 62.100 -0.076 0.000 1.146 167 T CB -0.288 68.559 68.868 -0.035 0.000 0.865 167 T HN 0.147 nan 8.240 nan 0.000 0.435 168 L N 1.534 122.685 121.223 -0.120 0.000 2.046 168 L HA 0.008 4.336 4.340 -0.021 0.000 0.208 168 L C 2.326 179.083 176.870 -0.190 0.000 1.077 168 L CA 1.926 56.687 54.840 -0.132 0.000 0.747 168 L CB -0.578 41.413 42.059 -0.115 0.000 0.896 168 L HN 0.105 nan 8.230 nan 0.000 0.432 169 K N -0.562 119.666 120.400 -0.287 0.000 2.057 169 K HA -0.148 4.160 4.320 -0.021 0.000 0.207 169 K C 1.980 178.457 176.600 -0.204 0.000 1.049 169 K CA 1.418 57.531 56.287 -0.290 0.000 0.931 169 K CB -0.291 31.947 32.500 -0.438 0.000 0.714 169 K HN 0.452 nan 8.250 nan 0.000 0.440 170 A N 1.088 123.799 122.820 -0.182 0.000 1.930 170 A HA -0.151 4.156 4.320 -0.021 0.000 0.217 170 A C 1.615 179.080 177.584 -0.199 0.000 1.175 170 A CA 1.886 53.825 52.037 -0.164 0.000 0.627 170 A CB -0.467 18.453 19.000 -0.134 0.000 0.815 170 A HN 0.382 nan 8.150 nan 0.000 0.443 171 D N -0.589 119.701 120.400 -0.184 0.000 2.224 171 D HA -0.078 4.549 4.640 -0.021 0.000 0.205 171 D C 2.116 178.282 176.300 -0.223 0.000 0.965 171 D CA 0.902 54.770 54.000 -0.220 0.000 0.852 171 D CB -0.266 40.473 40.800 -0.102 0.000 0.947 171 D HN 0.589 nan 8.370 nan 0.000 0.494 172 Q N 0.006 119.706 119.800 -0.167 0.000 2.167 172 Q HA -0.015 4.313 4.340 -0.021 0.000 0.202 172 Q C 2.062 177.973 176.000 -0.148 0.000 0.970 172 Q CA 1.168 56.889 55.803 -0.136 0.000 0.855 172 Q CB 0.039 28.706 28.738 -0.118 0.000 0.911 172 Q HN 0.202 nan 8.270 nan 0.000 0.438 173 A N 0.555 123.272 122.820 -0.171 0.000 1.968 173 A HA -0.159 4.148 4.320 -0.021 0.000 0.217 173 A C 1.995 179.459 177.584 -0.201 0.000 1.169 173 A CA 0.840 52.784 52.037 -0.155 0.000 0.638 173 A CB -0.145 18.772 19.000 -0.139 0.000 0.812 173 A HN 0.217 nan 8.150 nan 0.000 0.446 174 Q N -0.839 118.748 119.800 -0.355 0.000 2.079 174 Q HA -0.138 4.190 4.340 -0.021 0.000 0.200 174 Q C 2.098 177.832 176.000 -0.443 0.000 0.974 174 Q CA 1.334 56.770 55.803 -0.613 0.000 0.840 174 Q CB -0.529 27.362 28.738 -1.411 0.000 0.898 174 Q HN 0.582 nan 8.270 nan 0.000 0.430 175 L N 1.093 122.129 121.223 -0.312 0.000 2.027 175 L HA -0.195 4.133 4.340 -0.021 0.000 0.206 175 L C 2.442 179.305 176.870 -0.012 0.000 1.074 175 L CA 1.868 56.684 54.840 -0.039 0.000 0.745 175 L CB -0.625 41.429 42.059 -0.007 0.000 0.898 175 L HN 0.100 nan 8.230 nan 0.000 0.433 176 Q N -0.533 119.234 119.800 -0.055 0.000 2.050 176 Q HA -0.225 4.103 4.340 -0.021 0.000 0.202 176 Q C 2.168 178.149 176.000 -0.033 0.000 0.980 176 Q CA 2.289 58.066 55.803 -0.042 0.000 0.840 176 Q CB -0.721 27.985 28.738 -0.053 0.000 0.898 176 Q HN 0.520 nan 8.270 nan 0.000 0.424 177 L N -0.158 121.050 121.223 -0.024 0.000 2.079 177 L HA -0.154 4.174 4.340 -0.021 0.000 0.210 177 L C 1.894 178.784 176.870 0.032 0.000 1.081 177 L CA 2.381 57.231 54.840 0.016 0.000 0.752 177 L CB -0.868 41.228 42.059 0.061 0.000 0.896 177 L HN 0.252 nan 8.230 nan 0.000 0.433 178 T N -0.775 113.844 114.554 0.109 0.000 2.821 178 T HA -0.145 4.193 4.350 -0.021 0.000 0.267 178 T C 1.848 176.494 174.700 -0.090 0.000 1.046 178 T CA 1.511 63.659 62.100 0.080 0.000 1.139 178 T CB -0.139 68.918 68.868 0.315 0.000 0.871 178 T HN 0.353 nan 8.240 nan 0.000 0.454 179 K N 1.017 121.388 120.400 -0.048 0.000 2.026 179 K HA -0.121 4.187 4.320 -0.021 0.000 0.208 179 K C 2.102 178.627 176.600 -0.124 0.000 1.048 179 K CA 1.541 57.784 56.287 -0.073 0.000 0.929 179 K CB -0.153 32.322 32.500 -0.041 0.000 0.713 179 K HN 0.239 nan 8.250 nan 0.000 0.439 180 D N 0.097 120.420 120.400 -0.129 0.000 2.097 180 D HA -0.119 4.509 4.640 -0.021 0.000 0.195 180 D C 1.929 178.068 176.300 -0.268 0.000 0.989 180 D CA 1.503 55.411 54.000 -0.153 0.000 0.827 180 D CB -0.529 40.201 40.800 -0.116 0.000 0.966 180 D HN 0.184 nan 8.370 nan 0.000 0.456 181 T N 1.305 115.606 114.554 -0.421 0.000 2.777 181 T HA -0.126 4.211 4.350 -0.021 0.000 0.266 181 T C 1.985 176.145 174.700 -0.900 0.000 1.040 181 T CA 0.485 62.101 62.100 -0.806 0.000 1.141 181 T CB -0.349 67.774 68.868 -1.241 0.000 0.868 181 T HN 0.028 nan 8.240 nan 0.000 0.444 182 L N 1.626 122.515 121.223 -0.557 0.000 2.046 182 L HA 0.101 4.429 4.340 -0.021 0.000 0.208 182 L C 2.534 179.299 176.870 -0.174 0.000 1.077 182 L CA 1.922 56.569 54.840 -0.322 0.000 0.747 182 L CB -1.094 40.862 42.059 -0.173 0.000 0.896 182 L HN 0.289 nan 8.230 nan 0.000 0.432 183 G N -2.071 106.635 108.800 -0.156 0.000 2.408 183 G HA2 -0.218 3.730 3.960 -0.021 0.000 0.217 183 G HA3 -0.218 3.730 3.960 -0.021 0.000 0.217 183 G C 1.421 176.301 174.900 -0.034 0.000 1.150 183 G CA 1.079 46.137 45.100 -0.070 0.000 0.776 183 G HN 0.433 nan 8.290 nan 0.000 0.542 184 T N 0.412 114.908 114.554 -0.098 0.000 2.821 184 T HA -0.093 4.245 4.350 -0.021 0.000 0.267 184 T C 2.098 176.895 174.700 0.161 0.000 1.046 184 T CA 0.999 63.093 62.100 -0.010 0.000 1.139 184 T CB -0.267 68.535 68.868 -0.109 0.000 0.871 184 T HN 0.279 nan 8.240 nan 0.000 0.454 185 Y N 1.429 121.708 120.300 -0.034 0.000 2.263 185 Y HA 0.043 4.581 4.550 -0.021 0.000 0.292 185 Y C 2.632 178.578 175.900 0.077 0.000 1.130 185 Y CA 0.010 58.117 58.100 0.011 0.000 1.179 185 Y CB -0.958 37.467 38.460 -0.057 0.000 0.998 185 Y HN 0.275 nan 8.280 nan 0.000 0.532 186 Q N 0.458 120.379 119.800 0.202 0.000 2.083 186 Q HA -0.175 4.153 4.340 -0.021 0.000 0.198 186 Q C 2.414 178.539 176.000 0.208 0.000 0.969 186 Q CA 1.544 57.449 55.803 0.171 0.000 0.838 186 Q CB -0.010 28.776 28.738 0.080 0.000 0.900 186 Q HN 0.359 nan 8.270 nan 0.000 0.436 187 K N -0.233 120.260 120.400 0.155 0.000 2.020 187 K HA -0.219 4.089 4.320 -0.021 0.000 0.212 187 K C 2.234 178.937 176.600 0.171 0.000 1.050 187 K CA 1.771 58.142 56.287 0.140 0.000 0.929 187 K CB -0.452 32.113 32.500 0.109 0.000 0.714 187 K HN 0.122 nan 8.250 nan 0.000 0.443 188 S N -0.127 115.702 115.700 0.214 0.000 2.359 188 S HA -0.202 4.256 4.470 -0.021 0.000 0.224 188 S C 1.793 176.533 174.600 0.233 0.000 1.035 188 S CA 1.435 59.778 58.200 0.237 0.000 1.018 188 S CB -0.561 62.808 63.200 0.283 0.000 0.876 188 S HN 0.479 nan 8.310 nan 0.000 0.448 189 F N 2.398 122.408 119.950 0.100 0.000 2.126 189 F HA -0.115 4.399 4.527 -0.020 0.000 0.299 189 F C 1.932 177.753 175.800 0.035 0.000 1.096 189 F CA 2.172 60.193 58.000 0.036 0.000 1.255 189 F CB -0.570 38.437 39.000 0.012 0.000 0.997 189 F HN 0.220 nan 8.300 nan 0.000 0.479 190 D N 0.616 121.077 120.400 0.102 0.000 2.117 190 D HA -0.168 4.459 4.640 -0.021 0.000 0.197 190 D C 2.443 178.713 176.300 -0.051 0.000 0.987 190 D CA 1.509 55.509 54.000 0.001 0.000 0.829 190 D CB -0.584 40.281 40.800 0.108 0.000 0.961 190 D HN 0.347 nan 8.370 nan 0.000 0.460 191 L N 0.594 121.826 121.223 0.015 0.000 2.131 191 L HA -0.127 4.201 4.340 -0.021 0.000 0.210 191 L C 2.352 179.232 176.870 0.016 0.000 1.092 191 L CA 1.003 55.861 54.840 0.030 0.000 0.759 191 L CB -0.449 41.656 42.059 0.076 0.000 0.903 191 L HN 0.037 nan 8.230 nan 0.000 0.435 192 T N -1.583 112.958 114.554 -0.021 0.000 2.857 192 T HA -0.214 4.124 4.350 -0.021 0.000 0.266 192 T C 1.799 176.417 174.700 -0.136 0.000 1.048 192 T CA 1.035 63.109 62.100 -0.043 0.000 1.139 192 T CB -0.080 68.711 68.868 -0.129 0.000 0.874 192 T HN 0.165 nan 8.240 nan 0.000 0.455 193 Q N 1.392 121.006 119.800 -0.310 0.000 2.124 193 Q HA -0.041 4.286 4.340 -0.021 0.000 0.202 193 Q C 2.237 178.208 176.000 -0.047 0.000 0.977 193 Q CA 1.584 57.234 55.803 -0.255 0.000 0.850 193 Q CB -0.153 28.354 28.738 -0.386 0.000 0.901 193 Q HN 0.451 nan 8.270 nan 0.000 0.429 194 R N -1.015 119.461 120.500 -0.041 0.000 2.090 194 R HA 0.006 4.334 4.340 -0.021 0.000 0.228 194 R C 2.489 178.790 176.300 0.001 0.000 1.110 194 R CA 1.240 57.335 56.100 -0.008 0.000 0.973 194 R CB -0.462 29.835 30.300 -0.006 0.000 0.869 194 R HN 0.160 nan 8.270 nan 0.000 0.440 195 S N -0.083 115.624 115.700 0.012 0.000 2.453 195 S HA -0.136 4.322 4.470 -0.021 0.000 0.231 195 S C 1.633 176.257 174.600 0.039 0.000 1.005 195 S CA 0.638 58.847 58.200 0.016 0.000 0.949 195 S CB -0.126 63.090 63.200 0.027 0.000 0.774 195 S HN 0.430 nan 8.310 nan 0.000 0.510 196 Y N 2.062 122.322 120.300 -0.067 0.000 2.243 196 Y HA 0.040 4.578 4.550 -0.020 0.000 0.293 196 Y C 1.576 177.446 175.900 -0.050 0.000 1.124 196 Y CA 1.652 59.714 58.100 -0.064 0.000 1.159 196 Y CB -0.398 38.004 38.460 -0.096 0.000 1.008 196 Y HN 0.230 nan 8.280 nan 0.000 0.527 197 D N -0.539 119.804 120.400 -0.096 0.000 2.350 197 D HA -0.083 4.545 4.640 -0.021 0.000 0.216 197 D C 1.405 177.605 176.300 -0.166 0.000 0.968 197 D CA 0.991 54.898 54.000 -0.155 0.000 0.894 197 D CB 0.057 40.836 40.800 -0.035 0.000 0.909 197 D HN 0.293 nan 8.370 nan 0.000 0.520 198 V N -0.612 119.220 119.914 -0.137 0.000 3.376 198 V HA 0.298 4.406 4.120 -0.021 0.000 0.313 198 V C 1.443 177.465 176.094 -0.121 0.000 1.393 198 V CA 0.321 62.557 62.300 -0.106 0.000 1.125 198 V CB 0.069 31.853 31.823 -0.064 0.000 1.037 198 V HN 0.248 nan 8.190 nan 0.000 0.440 199 G N 0.843 109.530 108.800 -0.188 0.000 2.198 199 G HA2 -0.251 3.696 3.960 -0.021 0.000 0.260 199 G HA3 -0.251 3.696 3.960 -0.021 0.000 0.260 199 G C 0.522 175.367 174.900 -0.090 0.000 1.025 199 G CA 0.691 45.691 45.100 -0.166 0.000 0.769 199 G HN 0.425 nan 8.290 nan 0.000 0.507 200 V N -0.488 119.386 119.914 -0.067 0.000 2.690 200 V HA 0.549 4.657 4.120 -0.021 0.000 0.240 200 V C 1.896 177.994 176.094 0.008 0.000 1.078 200 V CA 1.473 63.751 62.300 -0.036 0.000 1.102 200 V CB -0.255 31.539 31.823 -0.048 0.000 0.800 200 V HN 1.109 nan 8.190 nan 0.000 0.479 201 A N 1.426 124.281 122.820 0.058 0.000 2.327 201 A HA 0.597 4.904 4.320 -0.021 0.000 0.283 201 A C 0.588 178.321 177.584 0.249 0.000 1.127 201 A CA 0.209 52.343 52.037 0.161 0.000 0.810 201 A CB 0.363 19.479 19.000 0.194 0.000 1.066 201 A HN 0.520 nan 8.150 nan 0.000 0.492 202 S N 1.324 117.152 115.700 0.213 0.000 2.681 202 S HA 0.538 4.996 4.470 -0.021 0.000 0.270 202 S C 1.255 175.979 174.600 0.206 0.000 1.209 202 S CA -0.107 58.226 58.200 0.222 0.000 0.988 202 S CB 1.159 64.434 63.200 0.125 0.000 1.006 202 S HN 1.531 nan 8.310 nan 0.000 0.558 203 A N 0.044 122.973 122.820 0.183 0.000 2.015 203 A HA 0.022 4.329 4.320 -0.021 0.000 0.219 203 A C 1.975 179.494 177.584 -0.109 0.000 1.163 203 A CA 1.253 53.256 52.037 -0.056 0.000 0.646 203 A CB -0.953 18.069 19.000 0.036 0.000 0.806 203 A HN 0.844 nan 8.150 nan 0.000 0.448 204 L N -0.021 121.182 121.223 -0.034 0.000 2.056 204 L HA -0.135 4.192 4.340 -0.021 0.000 0.207 204 L C 1.666 178.472 176.870 -0.107 0.000 1.078 204 L CA 2.298 57.111 54.840 -0.046 0.000 0.749 204 L CB -0.492 41.569 42.059 0.003 0.000 0.901 204 L HN 0.322 nan 8.230 nan 0.000 0.433 205 D N -0.501 119.837 120.400 -0.104 0.000 2.149 205 D HA -0.211 4.417 4.640 -0.021 0.000 0.198 205 D C 2.155 178.172 176.300 -0.471 0.000 0.990 205 D CA 1.491 55.340 54.000 -0.252 0.000 0.839 205 D CB -0.085 40.692 40.800 -0.037 0.000 0.948 205 D HN 0.310 nan 8.370 nan 0.000 0.460 206 L N 0.874 121.895 121.223 -0.335 0.000 2.095 206 L HA -0.041 4.287 4.340 -0.021 0.000 0.204 206 L C 2.153 178.917 176.870 -0.178 0.000 1.080 206 L CA 1.313 55.941 54.840 -0.354 0.000 0.759 206 L CB -0.076 41.679 42.059 -0.506 0.000 0.914 206 L HN -0.201 nan 8.230 nan 0.000 0.439 207 R N -0.526 119.875 120.500 -0.165 0.000 2.092 207 R HA -0.089 4.238 4.340 -0.021 0.000 0.231 207 R C 2.153 178.398 176.300 -0.091 0.000 1.119 207 R CA 1.213 57.261 56.100 -0.087 0.000 0.970 207 R CB -0.658 29.593 30.300 -0.081 0.000 0.864 207 R HN 0.558 nan 8.270 nan 0.000 0.440 208 Q N 0.157 119.865 119.800 -0.153 0.000 2.050 208 Q HA -0.079 4.248 4.340 -0.021 0.000 0.202 208 Q C 2.148 178.070 176.000 -0.130 0.000 0.980 208 Q CA 1.885 57.612 55.803 -0.125 0.000 0.840 208 Q CB -0.221 28.451 28.738 -0.110 0.000 0.898 208 Q HN 0.354 nan 8.270 nan 0.000 0.424 209 A N 0.706 123.321 122.820 -0.342 0.000 1.940 209 A HA -0.287 4.021 4.320 -0.021 0.000 0.219 209 A C 1.977 179.620 177.584 0.099 0.000 1.176 209 A CA 1.689 53.655 52.037 -0.118 0.000 0.631 209 A CB -0.568 18.322 19.000 -0.183 0.000 0.814 209 A HN 0.417 nan 8.150 nan 0.000 0.446 210 Q N -0.387 119.465 119.800 0.088 0.000 2.046 210 Q HA -0.176 4.152 4.340 -0.021 0.000 0.200 210 Q C 2.283 178.198 176.000 -0.143 0.000 0.975 210 Q CA 2.525 58.249 55.803 -0.132 0.000 0.836 210 Q CB -0.365 28.343 28.738 -0.049 0.000 0.896 210 Q HN 0.812 nan 8.270 nan 0.000 0.428 211 T N -1.185 113.320 114.554 -0.082 0.000 2.699 211 T HA -0.184 4.154 4.350 -0.021 0.000 0.268 211 T C 1.872 176.531 174.700 -0.068 0.000 1.036 211 T CA 1.495 63.556 62.100 -0.066 0.000 1.147 211 T CB -0.677 68.166 68.868 -0.042 0.000 0.862 211 T HN 0.363 nan 8.240 nan 0.000 0.446 212 A N 1.100 123.860 122.820 -0.100 0.000 1.908 212 A HA 0.011 4.319 4.320 -0.021 0.000 0.218 212 A C 2.704 180.259 177.584 -0.048 0.000 1.181 212 A CA 1.893 53.823 52.037 -0.179 0.000 0.627 212 A CB -1.194 17.532 19.000 -0.455 0.000 0.818 212 A HN 0.452 nan 8.150 nan 0.000 0.445 213 V N 0.467 120.346 119.914 -0.058 0.000 2.307 213 V HA -0.206 3.901 4.120 -0.021 0.000 0.245 213 V C 2.541 178.615 176.094 -0.032 0.000 1.045 213 V CA 2.104 64.395 62.300 -0.016 0.000 1.024 213 V CB -0.743 30.966 31.823 -0.189 0.000 0.651 213 V HN 0.569 nan 8.190 nan 0.000 0.449 214 E N 0.696 120.849 120.200 -0.078 0.000 2.110 214 E HA -0.143 4.195 4.350 -0.021 0.000 0.193 214 E C 2.331 178.923 176.600 -0.013 0.000 0.988 214 E CA 1.415 57.780 56.400 -0.058 0.000 0.804 214 E CB -0.731 28.924 29.700 -0.074 0.000 0.745 214 E HN 0.617 nan 8.360 nan 0.000 0.458 215 G N 1.488 110.296 108.800 0.014 0.000 2.421 215 G HA2 -0.185 3.763 3.960 -0.021 0.000 0.216 215 G HA3 -0.185 3.763 3.960 -0.021 0.000 0.216 215 G C 1.764 176.724 174.900 0.100 0.000 1.171 215 G CA 1.193 46.326 45.100 0.055 0.000 0.775 215 G HN 0.402 nan 8.290 nan 0.000 0.543 216 A N 0.282 123.178 122.820 0.128 0.000 2.015 216 A HA 0.079 4.387 4.320 -0.021 0.000 0.219 216 A C 2.302 179.908 177.584 0.036 0.000 1.163 216 A CA 1.650 53.744 52.037 0.095 0.000 0.646 216 A CB -0.347 18.668 19.000 0.025 0.000 0.806 216 A HN 0.350 nan 8.150 nan 0.000 0.448 217 R N -0.613 119.895 120.500 0.015 0.000 2.115 217 R HA 0.000 4.328 4.340 -0.021 0.000 0.226 217 R C 2.187 178.483 176.300 -0.007 0.000 1.100 217 R CA 1.169 57.264 56.100 -0.008 0.000 0.980 217 R CB -0.256 30.027 30.300 -0.027 0.000 0.875 217 R HN 0.459 nan 8.270 nan 0.000 0.445 218 A N -0.702 122.115 122.820 -0.004 0.000 1.970 218 A HA -0.041 4.267 4.320 -0.021 0.000 0.216 218 A C 1.960 179.516 177.584 -0.046 0.000 1.170 218 A CA 1.484 53.508 52.037 -0.022 0.000 0.645 218 A CB -0.346 18.640 19.000 -0.022 0.000 0.816 218 A HN 0.337 nan 8.150 nan 0.000 0.447 219 T N 0.174 114.713 114.554 -0.025 0.000 2.904 219 T HA -0.075 4.263 4.350 -0.021 0.000 0.267 219 T C 1.794 176.445 174.700 -0.082 0.000 1.059 219 T CA 1.280 63.319 62.100 -0.102 0.000 1.137 219 T CB -0.282 68.613 68.868 0.046 0.000 0.879 219 T HN 0.272 nan 8.240 nan 0.000 0.467 220 L N 1.740 122.981 121.223 0.031 0.000 1.989 220 L HA 0.008 4.336 4.340 -0.021 0.000 0.211 220 L C 2.670 179.562 176.870 0.037 0.000 1.071 220 L CA 1.971 56.851 54.840 0.067 0.000 0.749 220 L CB -1.058 41.023 42.059 0.037 0.000 0.890 220 L HN 0.235 nan 8.230 nan 0.000 0.431 221 A N -1.201 121.617 122.820 -0.003 0.000 1.908 221 A HA -0.303 4.004 4.320 -0.021 0.000 0.218 221 A C 2.313 179.884 177.584 -0.021 0.000 1.181 221 A CA 1.948 53.980 52.037 -0.010 0.000 0.627 221 A CB -0.766 18.222 19.000 -0.020 0.000 0.818 221 A HN 0.686 nan 8.150 nan 0.000 0.445 222 Q N -1.693 118.062 119.800 -0.076 0.000 2.020 222 Q HA -0.221 4.106 4.340 -0.021 0.000 0.202 222 Q C 1.845 177.811 176.000 -0.057 0.000 0.982 222 Q CA 1.938 57.667 55.803 -0.122 0.000 0.838 222 Q CB -0.301 28.284 28.738 -0.254 0.000 0.899 222 Q HN 0.688 nan 8.270 nan 0.000 0.423 223 Y N 0.797 121.099 120.300 0.003 0.000 2.352 223 Y HA -0.101 4.436 4.550 -0.021 0.000 0.292 223 Y C 2.548 178.443 175.900 -0.008 0.000 1.136 223 Y CA 1.459 59.557 58.100 -0.003 0.000 1.227 223 Y CB -0.720 37.742 38.460 0.004 0.000 0.991 223 Y HN 0.172 nan 8.280 nan 0.000 0.545 224 T N -0.181 114.455 114.554 0.138 0.000 2.720 224 T HA -0.237 4.100 4.350 -0.021 0.000 0.268 224 T C 2.083 176.814 174.700 0.051 0.000 1.037 224 T CA 1.746 63.889 62.100 0.072 0.000 1.144 224 T CB -0.180 68.714 68.868 0.043 0.000 0.864 224 T HN 0.298 nan 8.240 nan 0.000 0.444 225 R N 0.623 121.148 120.500 0.043 0.000 2.066 225 R HA 0.028 4.355 4.340 -0.021 0.000 0.232 225 R C 2.402 178.725 176.300 0.039 0.000 1.131 225 R CA 1.151 57.267 56.100 0.028 0.000 0.955 225 R CB -0.434 29.872 30.300 0.012 0.000 0.851 225 R HN 0.348 nan 8.270 nan 0.000 0.432 226 L N 0.418 121.681 121.223 0.067 0.000 2.083 226 L HA -0.154 4.174 4.340 -0.021 0.000 0.209 226 L C 2.435 179.335 176.870 0.050 0.000 1.083 226 L CA 0.827 55.712 54.840 0.074 0.000 0.752 226 L CB -0.308 41.837 42.059 0.143 0.000 0.899 226 L HN 0.105 nan 8.230 nan 0.000 0.433 227 V N 0.024 119.968 119.914 0.050 0.000 2.307 227 V HA -0.280 3.828 4.120 -0.021 0.000 0.245 227 V C 2.757 178.855 176.094 0.007 0.000 1.045 227 V CA 1.806 64.113 62.300 0.012 0.000 1.024 227 V CB -0.818 31.008 31.823 0.005 0.000 0.651 227 V HN 0.477 nan 8.190 nan 0.000 0.449 228 A N -0.638 122.190 122.820 0.015 0.000 1.858 228 A HA -0.294 4.014 4.320 -0.021 0.000 0.216 228 A C 2.164 179.753 177.584 0.008 0.000 1.190 228 A CA 2.013 54.056 52.037 0.010 0.000 0.617 228 A CB -0.539 18.468 19.000 0.011 0.000 0.827 228 A HN 0.623 nan 8.150 nan 0.000 0.443 229 Q N -0.657 119.150 119.800 0.012 0.000 2.167 229 Q HA -0.158 4.170 4.340 -0.021 0.000 0.202 229 Q C 1.300 177.304 176.000 0.007 0.000 0.970 229 Q CA 1.239 57.048 55.803 0.010 0.000 0.855 229 Q CB -0.186 28.559 28.738 0.012 0.000 0.911 229 Q HN 0.581 nan 8.270 nan 0.000 0.438 230 D N 0.669 121.073 120.400 0.006 0.000 2.178 230 D HA -0.132 4.495 4.640 -0.021 0.000 0.202 230 D C 1.768 178.066 176.300 -0.003 0.000 0.974 230 D CA 0.987 54.986 54.000 -0.002 0.000 0.841 230 D CB 0.027 40.819 40.800 -0.014 0.000 0.953 230 D HN 0.299 nan 8.370 nan 0.000 0.478 231 Q N 0.209 120.008 119.800 -0.002 0.000 2.084 231 Q HA -0.100 4.227 4.340 -0.021 0.000 0.202 231 Q C 1.846 177.849 176.000 0.006 0.000 0.978 231 Q CA 0.858 56.663 55.803 0.003 0.000 0.844 231 Q CB 0.034 28.773 28.738 0.002 0.000 0.898 231 Q HN 0.215 nan 8.270 nan 0.000 0.426 232 N N 0.536 119.239 118.700 0.005 0.000 2.166 232 N HA -0.133 4.595 4.740 -0.021 0.000 0.186 232 N C 1.575 177.088 175.510 0.004 0.000 1.019 232 N CA 1.371 54.424 53.050 0.005 0.000 0.856 232 N CB -0.323 38.167 38.487 0.005 0.000 0.993 232 N HN 0.236 nan 8.380 nan 0.000 0.426 233 A N 0.724 123.547 122.820 0.005 0.000 1.969 233 A HA -0.040 4.268 4.320 -0.021 0.000 0.218 233 A C 2.218 179.804 177.584 0.004 0.000 1.169 233 A CA 0.753 52.792 52.037 0.005 0.000 0.635 233 A CB -0.498 18.505 19.000 0.005 0.000 0.810 233 A HN 0.214 nan 8.150 nan 0.000 0.445 234 L N -0.183 121.044 121.223 0.007 0.000 2.044 234 L HA -0.058 4.270 4.340 -0.021 0.000 0.205 234 L C 2.362 179.233 176.870 0.002 0.000 1.075 234 L CA 1.703 56.549 54.840 0.010 0.000 0.747 234 L CB -0.492 41.584 42.059 0.027 0.000 0.903 234 L HN 0.137 nan 8.230 nan 0.000 0.435 235 V N -0.217 119.699 119.914 0.003 0.000 2.332 235 V HA -0.294 3.814 4.120 -0.021 0.000 0.248 235 V C 2.525 178.617 176.094 -0.004 0.000 1.055 235 V CA 1.791 64.091 62.300 -0.001 0.000 1.038 235 V CB -0.816 31.008 31.823 0.002 0.000 0.651 235 V HN 0.519 nan 8.190 nan 0.000 0.450 236 L N -0.407 120.815 121.223 -0.002 0.000 2.046 236 L HA -0.139 4.189 4.340 -0.021 0.000 0.208 236 L C 2.159 179.025 176.870 -0.007 0.000 1.077 236 L CA 1.882 56.720 54.840 -0.003 0.000 0.747 236 L CB -0.530 41.529 42.059 0.000 0.000 0.896 236 L HN 0.213 nan 8.230 nan 0.000 0.432 237 L N -1.397 119.819 121.223 -0.011 0.000 2.141 237 L HA -0.181 4.147 4.340 -0.021 0.000 0.209 237 L C 2.409 179.260 176.870 -0.032 0.000 1.094 237 L CA 0.850 55.678 54.840 -0.021 0.000 0.763 237 L CB -0.398 41.647 42.059 -0.024 0.000 0.908 237 L HN 0.301 nan 8.230 nan 0.000 0.437 238 L N -0.460 120.745 121.223 -0.031 0.000 2.217 238 L HA -0.022 4.305 4.340 -0.021 0.000 0.211 238 L C 1.644 178.497 176.870 -0.028 0.000 1.107 238 L CA 0.845 55.662 54.840 -0.039 0.000 0.783 238 L CB -0.789 41.250 42.059 -0.032 0.000 0.919 238 L HN 0.518 nan 8.230 nan 0.000 0.442 239 G N 0.061 108.850 108.800 -0.018 0.000 2.153 239 G HA2 -0.288 3.660 3.960 -0.021 0.000 0.252 239 G HA3 -0.288 3.660 3.960 -0.021 0.000 0.252 239 G C 0.216 175.111 174.900 -0.008 0.000 0.994 239 G CA 0.468 45.562 45.100 -0.011 0.000 0.698 239 G HN 0.432 nan 8.290 nan 0.000 0.521 240 S N -2.180 113.515 115.700 -0.009 0.000 2.611 240 S HA 0.668 5.126 4.470 -0.021 0.000 0.270 240 S C 0.444 175.040 174.600 -0.006 0.000 1.131 240 S CA 0.627 58.822 58.200 -0.007 0.000 0.826 240 S CB 0.690 63.884 63.200 -0.010 0.000 1.095 240 S HN 1.739 nan 8.310 nan 0.000 0.461 241 G N 1.117 109.915 108.800 -0.003 0.000 2.667 241 G HA2 0.476 4.424 3.960 -0.021 0.000 0.250 241 G HA3 0.476 4.424 3.960 -0.021 0.000 0.250 241 G C -0.301 174.598 174.900 -0.001 0.000 1.212 241 G CA -0.560 44.539 45.100 -0.001 0.000 0.874 241 G HN 0.762 nan 8.290 nan 0.000 0.561 242 I N 1.887 122.459 120.570 0.003 0.000 2.452 242 I HA 0.125 4.282 4.170 -0.021 0.000 0.287 242 I C -1.589 174.531 176.117 0.005 0.000 1.079 242 I CA -1.283 60.020 61.300 0.006 0.000 1.387 242 I CB 1.104 39.114 38.000 0.017 0.000 1.404 242 I HN 0.249 nan 8.210 nan 0.000 0.522 243 P HA 0.066 nan 4.420 nan 0.000 0.267 243 P C 0.252 177.556 177.300 0.006 0.000 1.200 243 P CA -0.174 62.927 63.100 0.002 0.000 0.772 243 P CB 0.910 32.608 31.700 -0.002 0.000 0.855 244 A N 2.697 125.520 122.820 0.005 0.000 2.021 244 A HA -0.079 4.229 4.320 -0.021 0.000 0.216 244 A C 1.214 178.802 177.584 0.007 0.000 1.163 244 A CA 0.836 52.877 52.037 0.006 0.000 0.676 244 A CB -0.643 18.360 19.000 0.005 0.000 0.818 244 A HN 0.708 nan 8.150 nan 0.000 0.453 245 N N 0.667 119.370 118.700 0.005 0.000 2.451 245 N HA 0.194 4.921 4.740 -0.021 0.000 0.264 245 N C -0.414 175.100 175.510 0.005 0.000 1.167 245 N CA -0.248 52.805 53.050 0.005 0.000 0.898 245 N CB -0.365 38.124 38.487 0.003 0.000 1.176 245 N HN 0.353 nan 8.380 nan 0.000 0.507 246 L N 0.713 121.941 121.223 0.008 0.000 2.506 246 L HA 0.147 4.475 4.340 -0.021 0.000 0.281 246 L C -1.501 175.375 176.870 0.010 0.000 1.228 246 L CA -1.131 53.713 54.840 0.008 0.000 0.850 246 L CB -0.182 41.886 42.059 0.016 0.000 1.110 246 L HN 0.037 nan 8.230 nan 0.000 0.496 247 P HA 0.003 nan 4.420 nan 0.000 0.271 247 P C -0.948 176.362 177.300 0.018 0.000 1.238 247 P CA -0.486 62.619 63.100 0.008 0.000 0.794 247 P CB 0.359 32.060 31.700 0.003 0.000 0.959 248 Q N 0.198 120.008 119.800 0.017 0.000 2.311 248 Q HA 0.420 4.748 4.340 -0.021 0.000 0.272 248 Q C 0.233 176.254 176.000 0.036 0.000 1.012 248 Q CA 0.420 56.237 55.803 0.023 0.000 0.891 248 Q CB -0.057 28.690 28.738 0.014 0.000 1.201 248 Q HN 0.609 nan 8.270 nan 0.000 0.391 249 G N 3.132 111.966 108.800 0.057 0.000 2.437 249 G HA2 0.552 4.499 3.960 -0.021 0.000 0.319 249 G HA3 0.552 4.499 3.960 -0.021 0.000 0.319 249 G C -1.012 173.926 174.900 0.062 0.000 1.158 249 G CA -0.752 44.403 45.100 0.093 0.000 0.899 249 G HN 0.625 nan 8.290 nan 0.000 0.502 250 L N 0.937 122.202 121.223 0.069 0.000 2.350 250 L HA 0.494 4.821 4.340 -0.021 0.000 0.275 250 L C 1.339 178.220 176.870 0.019 0.000 1.099 250 L CA -0.751 54.110 54.840 0.035 0.000 0.808 250 L CB 1.090 43.166 42.059 0.028 0.000 1.149 250 L HN 0.627 nan 8.230 nan 0.000 0.442 251 G N 1.310 110.107 108.800 -0.006 0.000 2.634 251 G HA2 0.230 4.178 3.960 -0.021 0.000 0.255 251 G HA3 0.230 4.178 3.960 -0.021 0.000 0.255 251 G C 0.852 175.731 174.900 -0.036 0.000 1.205 251 G CA -0.594 44.489 45.100 -0.029 0.000 0.884 251 G HN 0.685 nan 8.290 nan 0.000 0.549 252 L N 0.116 121.305 121.223 -0.056 0.000 2.265 252 L HA -0.055 4.273 4.340 -0.021 0.000 0.215 252 L C 2.089 178.930 176.870 -0.049 0.000 1.117 252 L CA 1.314 56.117 54.840 -0.061 0.000 0.782 252 L CB -0.132 41.879 42.059 -0.081 0.000 0.914 252 L HN 0.710 nan 8.230 nan 0.000 0.441 253 D N -1.573 118.802 120.400 -0.041 0.000 2.328 253 D HA -0.036 4.591 4.640 -0.021 0.000 0.226 253 D C 0.696 176.979 176.300 -0.028 0.000 1.066 253 D CA 0.069 54.049 54.000 -0.033 0.000 0.861 253 D CB 0.126 40.909 40.800 -0.028 0.000 0.912 253 D HN 0.300 nan 8.370 nan 0.000 0.521 254 Q N 0.175 119.958 119.800 -0.028 0.000 2.166 254 Q HA 0.304 4.632 4.340 -0.021 0.000 0.226 254 Q C -0.173 175.807 176.000 -0.034 0.000 0.989 254 Q CA -0.406 55.382 55.803 -0.026 0.000 0.966 254 Q CB 0.432 29.159 28.738 -0.019 0.000 1.173 254 Q HN -0.079 nan 8.270 nan 0.000 0.509 255 T N 1.884 116.416 114.554 -0.037 0.000 2.739 255 T HA 0.276 4.614 4.350 -0.021 0.000 0.298 255 T C 1.084 175.745 174.700 -0.065 0.000 0.929 255 T CA -0.031 62.037 62.100 -0.053 0.000 1.014 255 T CB -0.127 68.710 68.868 -0.052 0.000 0.914 255 T HN 0.303 nan 8.240 nan 0.000 0.509 256 L N 3.159 124.333 121.223 -0.082 0.000 2.513 256 L HA 0.392 4.720 4.340 -0.021 0.000 0.222 256 L C 0.139 176.895 176.870 -0.189 0.000 1.096 256 L CA 0.415 55.207 54.840 -0.081 0.000 0.857 256 L CB 0.016 42.055 42.059 -0.033 0.000 1.026 256 L HN 0.403 nan 8.230 nan 0.000 0.469 257 L N -1.685 119.372 121.223 -0.277 0.000 2.376 257 L HA 0.470 4.797 4.340 -0.021 0.000 0.258 257 L C -0.386 176.255 176.870 -0.382 0.000 1.013 257 L CA -0.545 53.966 54.840 -0.548 0.000 0.822 257 L CB 2.120 43.733 42.059 -0.743 0.000 1.388 257 L HN -0.307 nan 8.230 nan 0.000 0.413 258 T N 0.212 114.507 114.554 -0.432 0.000 2.889 258 T HA 0.128 4.466 4.350 -0.021 0.000 0.291 258 T C -0.198 174.471 174.700 -0.052 0.000 0.995 258 T CA -0.308 61.690 62.100 -0.170 0.000 1.092 258 T CB 1.113 69.924 68.868 -0.095 0.000 0.954 258 T HN 0.477 nan 8.240 nan 0.000 0.506 259 E N 2.328 122.524 120.200 -0.007 0.000 2.265 259 E HA 0.212 4.549 4.350 -0.021 0.000 0.272 259 E C -0.804 175.839 176.600 0.072 0.000 1.067 259 E CA -0.317 56.107 56.400 0.040 0.000 0.900 259 E CB 0.519 30.231 29.700 0.020 0.000 1.017 259 E HN 0.254 nan 8.360 nan 0.000 0.431 260 V N 7.910 127.889 119.914 0.109 0.000 2.432 260 V HA 0.227 4.334 4.120 -0.021 0.000 0.275 260 V C -1.803 174.325 176.094 0.056 0.000 1.043 260 V CA -1.503 60.850 62.300 0.088 0.000 0.925 260 V CB 1.227 33.099 31.823 0.081 0.000 0.985 260 V HN 0.714 nan 8.190 nan 0.000 0.466 261 P HA 0.209 nan 4.420 nan 0.000 0.275 261 P C 0.278 177.596 177.300 0.029 0.000 1.228 261 P CA -0.249 62.874 63.100 0.039 0.000 0.786 261 P CB 1.433 33.159 31.700 0.043 0.000 0.927 262 A N 2.840 125.671 122.820 0.018 0.000 1.930 262 A HA 0.318 4.626 4.320 -0.021 0.000 0.215 262 A C 1.276 178.915 177.584 0.092 0.000 1.176 262 A CA 1.457 53.487 52.037 -0.012 0.000 0.632 262 A CB -1.419 17.534 19.000 -0.079 0.000 0.819 262 A HN 0.881 nan 8.150 nan 0.000 0.445 263 G N -1.511 107.356 108.800 0.111 0.000 2.645 263 G HA2 -0.180 3.768 3.960 -0.021 0.000 0.246 263 G HA3 -0.180 3.768 3.960 -0.021 0.000 0.246 263 G C -0.268 174.749 174.900 0.194 0.000 1.322 263 G CA -0.051 45.125 45.100 0.127 0.000 0.898 263 G HN 0.765 nan 8.290 nan 0.000 0.573 264 L N 1.067 122.361 121.223 0.118 0.000 2.334 264 L HA 0.387 4.714 4.340 -0.021 0.000 0.275 264 L C -1.179 175.682 176.870 -0.015 0.000 1.036 264 L CA -1.895 52.963 54.840 0.030 0.000 0.807 264 L CB 2.084 44.139 42.059 -0.007 0.000 1.231 264 L HN 0.356 nan 8.230 nan 0.000 0.438 265 P HA -0.179 nan 4.420 nan 0.000 0.217 265 P C 1.291 178.577 177.300 -0.024 0.000 1.148 265 P CA 1.193 64.173 63.100 -0.200 0.000 0.828 265 P CB 0.137 31.686 31.700 -0.251 0.000 0.783 266 S N -1.866 113.811 115.700 -0.039 0.000 2.555 266 S HA -0.101 4.356 4.470 -0.021 0.000 0.230 266 S C 1.403 176.009 174.600 0.010 0.000 0.978 266 S CA 0.845 59.036 58.200 -0.014 0.000 0.934 266 S CB -0.938 62.249 63.200 -0.022 0.000 0.766 266 S HN 0.091 nan 8.310 nan 0.000 0.533 267 D N 2.334 122.750 120.400 0.026 0.000 2.144 267 D HA 0.026 4.654 4.640 -0.021 0.000 0.200 267 D C 1.811 178.131 176.300 0.033 0.000 0.978 267 D CA 0.795 54.817 54.000 0.036 0.000 0.833 267 D CB -0.426 40.406 40.800 0.054 0.000 0.961 267 D HN 0.385 nan 8.370 nan 0.000 0.470 268 L N 0.141 121.390 121.223 0.043 0.000 2.079 268 L HA -0.164 4.164 4.340 -0.021 0.000 0.210 268 L C 2.312 179.189 176.870 0.011 0.000 1.081 268 L CA 0.658 55.516 54.840 0.030 0.000 0.752 268 L CB -0.539 41.551 42.059 0.052 0.000 0.896 268 L HN 0.046 nan 8.230 nan 0.000 0.433 269 L N -0.840 120.391 121.223 0.013 0.000 2.263 269 L HA -0.233 4.095 4.340 -0.021 0.000 0.216 269 L C 2.401 179.294 176.870 0.038 0.000 1.111 269 L CA 1.200 56.058 54.840 0.031 0.000 0.773 269 L CB -0.452 41.632 42.059 0.041 0.000 0.906 269 L HN 0.401 nan 8.230 nan 0.000 0.439 270 Q N -1.279 118.533 119.800 0.021 0.000 2.280 270 Q HA 0.162 4.490 4.340 -0.021 0.000 0.244 270 Q C 1.621 177.621 176.000 -0.000 0.000 0.847 270 Q CA 0.137 55.947 55.803 0.012 0.000 0.945 270 Q CB 0.995 29.743 28.738 0.016 0.000 1.115 270 Q HN 0.505 nan 8.270 nan 0.000 0.513 271 R N -0.233 120.267 120.500 -0.001 0.000 2.446 271 R HA 0.256 4.584 4.340 -0.021 0.000 0.254 271 R C 0.639 176.920 176.300 -0.031 0.000 0.918 271 R CA -0.182 55.912 56.100 -0.010 0.000 1.069 271 R CB 1.222 31.524 30.300 0.003 0.000 1.194 271 R HN -0.151 nan 8.270 nan 0.000 0.534 272 R N 2.036 122.517 120.500 -0.031 0.000 2.229 272 R HA 0.195 4.522 4.340 -0.021 0.000 0.328 272 R C -2.044 174.220 176.300 -0.060 0.000 1.009 272 R CA -2.025 54.047 56.100 -0.047 0.000 0.864 272 R CB 1.303 31.583 30.300 -0.033 0.000 1.085 272 R HN -0.175 nan 8.270 nan 0.000 0.453 273 P HA -0.177 nan 4.420 nan 0.000 0.215 273 P C 0.475 177.726 177.300 -0.082 0.000 1.157 273 P CA 1.342 64.373 63.100 -0.116 0.000 0.868 273 P CB 0.183 31.789 31.700 -0.157 0.000 0.788 274 D N -0.892 119.470 120.400 -0.063 0.000 2.312 274 D HA -0.100 4.527 4.640 -0.021 0.000 0.211 274 D C 1.765 178.053 176.300 -0.020 0.000 0.964 274 D CA 0.778 54.752 54.000 -0.043 0.000 0.877 274 D CB -1.195 39.582 40.800 -0.038 0.000 0.924 274 D HN 0.197 nan 8.370 nan 0.000 0.515 275 I N -0.031 120.527 120.570 -0.020 0.000 2.333 275 I HA -0.133 4.025 4.170 -0.021 0.000 0.246 275 I C 2.317 178.484 176.117 0.083 0.000 1.106 275 I CA 0.555 61.860 61.300 0.008 0.000 1.411 275 I CB -0.102 37.877 38.000 -0.036 0.000 1.082 275 I HN 0.005 nan 8.210 nan 0.000 0.420 276 L N 0.451 121.676 121.223 0.003 0.000 2.093 276 L HA -0.195 4.132 4.340 -0.021 0.000 0.208 276 L C 2.599 179.407 176.870 -0.103 0.000 1.085 276 L CA 1.257 56.050 54.840 -0.079 0.000 0.755 276 L CB -0.606 41.400 42.059 -0.088 0.000 0.904 276 L HN 0.316 nan 8.230 nan 0.000 0.435 277 E N 0.829 121.013 120.200 -0.025 0.000 2.058 277 E HA -0.271 4.067 4.350 -0.021 0.000 0.194 277 E C 2.214 178.813 176.600 -0.001 0.000 0.997 277 E CA 1.373 57.771 56.400 -0.004 0.000 0.801 277 E CB 0.004 29.677 29.700 -0.045 0.000 0.746 277 E HN 0.457 nan 8.360 nan 0.000 0.450 278 A N 1.059 123.900 122.820 0.036 0.000 1.972 278 A HA -0.204 4.103 4.320 -0.021 0.000 0.219 278 A C 2.047 179.660 177.584 0.047 0.000 1.169 278 A CA 1.490 53.584 52.037 0.094 0.000 0.635 278 A CB -0.454 18.665 19.000 0.198 0.000 0.810 278 A HN 0.379 nan 8.150 nan 0.000 0.446 279 E N -1.022 119.145 120.200 -0.054 0.000 2.107 279 E HA -0.187 4.151 4.350 -0.021 0.000 0.191 279 E C 1.712 178.095 176.600 -0.362 0.000 0.982 279 E CA 1.028 57.207 56.400 -0.367 0.000 0.809 279 E CB -0.120 29.322 29.700 -0.431 0.000 0.756 279 E HN 0.876 nan 8.360 nan 0.000 0.459 280 H N -0.388 118.574 119.070 -0.181 0.000 2.428 280 H HA -0.019 4.524 4.556 -0.021 0.000 0.296 280 H C 2.277 177.509 175.328 -0.160 0.000 1.062 280 H CA 0.944 56.872 56.048 -0.200 0.000 1.350 280 H CB 0.305 29.954 29.762 -0.189 0.000 1.403 280 H HN 0.062 nan 8.280 nan 0.000 0.533 281 Q N 0.380 120.176 119.800 -0.008 0.000 2.084 281 Q HA -0.128 4.200 4.340 -0.021 0.000 0.202 281 Q C 2.429 178.412 176.000 -0.029 0.000 0.978 281 Q CA 0.818 56.610 55.803 -0.018 0.000 0.844 281 Q CB -0.395 28.337 28.738 -0.011 0.000 0.898 281 Q HN 0.377 nan 8.270 nan 0.000 0.426 282 L N 0.281 121.469 121.223 -0.057 0.000 2.017 282 L HA -0.128 4.200 4.340 -0.021 0.000 0.208 282 L C 2.193 179.025 176.870 -0.065 0.000 1.073 282 L CA 1.675 56.485 54.840 -0.049 0.000 0.745 282 L CB -0.530 41.484 42.059 -0.076 0.000 0.894 282 L HN 0.145 nan 8.230 nan 0.000 0.432 283 M N -0.912 118.577 119.600 -0.185 0.000 2.159 283 M HA -0.170 4.297 4.480 -0.021 0.000 0.263 283 M C 2.252 178.487 176.300 -0.107 0.000 1.063 283 M CA 1.705 56.844 55.300 -0.267 0.000 1.110 283 M CB -0.534 31.806 32.600 -0.433 0.000 1.374 283 M HN 0.464 nan 8.290 nan 0.000 0.411 284 A N 0.291 123.076 122.820 -0.057 0.000 1.933 284 A HA -0.026 4.282 4.320 -0.021 0.000 0.218 284 A C 2.336 179.929 177.584 0.014 0.000 1.175 284 A CA 1.820 53.853 52.037 -0.007 0.000 0.628 284 A CB -0.828 18.179 19.000 0.012 0.000 0.814 284 A HN 0.494 nan 8.150 nan 0.000 0.444 285 A N 0.022 122.847 122.820 0.008 0.000 2.014 285 A HA -0.147 4.161 4.320 -0.021 0.000 0.218 285 A C 1.911 179.510 177.584 0.025 0.000 1.163 285 A CA 1.854 53.901 52.037 0.018 0.000 0.652 285 A CB -0.656 18.346 19.000 0.003 0.000 0.808 285 A HN 0.600 nan 8.150 nan 0.000 0.449 286 N N 0.488 119.204 118.700 0.026 0.000 2.188 286 N HA -0.066 4.662 4.740 -0.021 0.000 0.184 286 N C 1.674 177.209 175.510 0.042 0.000 1.018 286 N CA 1.755 54.834 53.050 0.047 0.000 0.858 286 N CB -0.332 38.206 38.487 0.085 0.000 0.989 286 N HN 0.326 nan 8.380 nan 0.000 0.426 287 A N -0.241 122.597 122.820 0.030 0.000 1.969 287 A HA -0.083 4.224 4.320 -0.021 0.000 0.218 287 A C 2.265 179.879 177.584 0.050 0.000 1.169 287 A CA 1.793 53.852 52.037 0.036 0.000 0.635 287 A CB -1.009 18.008 19.000 0.029 0.000 0.810 287 A HN 0.518 nan 8.150 nan 0.000 0.445 288 S N 0.068 115.801 115.700 0.055 0.000 2.447 288 S HA -0.083 4.375 4.470 -0.021 0.000 0.233 288 S C 1.780 176.427 174.600 0.077 0.000 1.006 288 S CA 1.208 59.450 58.200 0.070 0.000 0.957 288 S CB -0.749 62.499 63.200 0.080 0.000 0.773 288 S HN 0.494 nan 8.310 nan 0.000 0.507 289 I N 2.118 122.729 120.570 0.068 0.000 2.286 289 I HA -0.050 4.107 4.170 -0.021 0.000 0.248 289 I C 2.875 179.040 176.117 0.080 0.000 1.115 289 I CA 1.099 62.444 61.300 0.076 0.000 1.392 289 I CB -0.982 37.054 38.000 0.060 0.000 1.065 289 I HN 0.492 nan 8.210 nan 0.000 0.418 290 G N 0.555 109.393 108.800 0.064 0.000 2.432 290 G HA2 -0.199 3.749 3.960 -0.021 0.000 0.219 290 G HA3 -0.199 3.749 3.960 -0.021 0.000 0.219 290 G C 1.813 176.753 174.900 0.066 0.000 1.135 290 G CA 0.793 45.927 45.100 0.057 0.000 0.767 290 G HN 0.495 nan 8.290 nan 0.000 0.550 291 A N 0.688 123.550 122.820 0.070 0.000 2.016 291 A HA 0.505 4.812 4.320 -0.021 0.000 0.217 291 A C 2.663 180.296 177.584 0.081 0.000 1.162 291 A CA 1.696 53.775 52.037 0.069 0.000 0.662 291 A CB -0.370 18.667 19.000 0.061 0.000 0.812 291 A HN 0.603 nan 8.150 nan 0.000 0.450 292 A N -0.145 122.736 122.820 0.102 0.000 1.930 292 A HA -0.024 4.283 4.320 -0.021 0.000 0.215 292 A C 2.207 179.916 177.584 0.209 0.000 1.176 292 A CA 1.077 53.188 52.037 0.123 0.000 0.632 292 A CB -0.333 18.751 19.000 0.140 0.000 0.819 292 A HN 0.489 nan 8.150 nan 0.000 0.445 293 R N -0.446 120.189 120.500 0.225 0.000 2.092 293 R HA -0.006 4.321 4.340 -0.021 0.000 0.231 293 R C 2.082 178.612 176.300 0.385 0.000 1.119 293 R CA 1.057 57.353 56.100 0.327 0.000 0.970 293 R CB -0.346 30.063 30.300 0.181 0.000 0.864 293 R HN 0.450 nan 8.270 nan 0.000 0.440 294 A N 0.610 123.556 122.820 0.210 0.000 2.239 294 A HA 0.114 4.422 4.320 -0.021 0.000 0.209 294 A C 1.887 179.575 177.584 0.173 0.000 1.171 294 A CA 0.980 53.124 52.037 0.179 0.000 0.768 294 A CB -0.212 18.851 19.000 0.105 0.000 0.790 294 A HN 0.362 nan 8.150 nan 0.000 0.478 295 A N -1.361 121.530 122.820 0.119 0.000 2.132 295 A HA 0.286 4.594 4.320 -0.021 0.000 0.213 295 A C 1.522 179.006 177.584 -0.167 0.000 1.154 295 A CA 0.521 52.519 52.037 -0.065 0.000 0.753 295 A CB -0.464 18.421 19.000 -0.192 0.000 0.826 295 A HN 0.463 nan 8.150 nan 0.000 0.469 296 F N -1.415 118.555 119.950 0.034 0.000 2.512 296 F HA 0.237 4.748 4.527 -0.027 0.000 0.296 296 F C 0.544 176.200 175.800 -0.240 0.000 1.110 296 F CA 0.154 58.094 58.000 -0.099 0.000 1.446 296 F CB -0.092 38.824 39.000 -0.140 0.000 1.092 296 F HN 0.062 nan 8.300 nan 0.000 0.554 297 F N 0.503 120.399 119.950 -0.089 0.000 2.370 297 F HA 0.359 4.862 4.527 -0.041 0.000 0.319 297 F C -1.843 173.828 175.800 -0.216 0.000 1.129 297 F CA -2.964 54.819 58.000 -0.363 0.000 1.109 297 F CB -0.303 38.151 39.000 -0.909 0.000 1.262 297 F HN -0.380 nan 8.300 nan 0.000 0.534 298 P HA -0.025 nan 4.420 nan 0.000 0.264 298 P C -0.868 176.549 177.300 0.196 0.000 1.183 298 P CA 0.141 63.316 63.100 0.124 0.000 0.763 298 P CB 0.598 32.431 31.700 0.222 0.000 0.807 299 S N 3.467 119.225 115.700 0.096 0.000 2.498 299 S HA 0.481 4.939 4.470 -0.021 0.000 0.324 299 S C -0.330 174.277 174.600 0.013 0.000 1.071 299 S CA -0.736 57.500 58.200 0.060 0.000 1.113 299 S CB -0.397 62.815 63.200 0.020 0.000 0.976 299 S HN 0.192 nan 8.310 nan 0.000 0.462 300 I N 3.876 124.433 120.570 -0.022 0.000 2.353 300 I HA 0.415 4.573 4.170 -0.021 0.000 0.293 300 I C 0.316 176.342 176.117 -0.151 0.000 0.992 300 I CA -0.346 60.904 61.300 -0.084 0.000 1.268 300 I CB 1.786 39.719 38.000 -0.111 0.000 1.387 300 I HN 0.519 nan 8.210 nan 0.000 0.478 301 S N 6.647 122.267 115.700 -0.134 0.000 2.536 301 S HA 0.762 5.220 4.470 -0.021 0.000 0.287 301 S C -1.335 173.183 174.600 -0.136 0.000 1.101 301 S CA -0.575 57.543 58.200 -0.137 0.000 0.950 301 S CB 1.623 64.780 63.200 -0.071 0.000 1.056 301 S HN 0.457 nan 8.310 nan 0.000 0.481 302 L N 3.646 124.808 121.223 -0.102 0.000 2.439 302 L HA 0.648 4.976 4.340 -0.021 0.000 0.270 302 L C -0.871 176.003 176.870 0.006 0.000 0.972 302 L CA 0.183 54.965 54.840 -0.097 0.000 0.836 302 L CB 2.169 44.182 42.059 -0.077 0.000 1.255 302 L HN 0.724 nan 8.230 nan 0.000 0.404 303 T N 4.242 118.749 114.554 -0.079 0.000 2.770 303 T HA 0.880 5.217 4.350 -0.021 0.000 0.283 303 T C -0.652 174.016 174.700 -0.052 0.000 0.988 303 T CA -0.325 61.762 62.100 -0.021 0.000 0.957 303 T CB 1.318 70.181 68.868 -0.008 0.000 0.930 303 T HN 0.765 nan 8.240 nan 0.000 0.443 304 A N 4.191 127.031 122.820 0.032 0.000 2.459 304 A HA 0.804 5.111 4.320 -0.021 0.000 0.296 304 A C -0.722 176.935 177.584 0.121 0.000 1.039 304 A CA -1.079 51.021 52.037 0.105 0.000 0.698 304 A CB 1.202 20.308 19.000 0.178 0.000 1.261 304 A HN 0.900 nan 8.150 nan 0.000 0.405 305 N N 0.076 118.869 118.700 0.155 0.000 2.825 305 N HA 0.851 5.579 4.740 -0.021 0.000 0.253 305 N C -0.900 174.721 175.510 0.186 0.000 1.426 305 N CA -0.053 53.079 53.050 0.136 0.000 0.851 305 N CB 1.805 40.354 38.487 0.104 0.000 1.470 305 N HN 1.326 nan 8.380 nan 0.000 0.517 306 A N -1.060 121.854 122.820 0.157 0.000 2.549 306 A HA 0.975 5.283 4.320 -0.021 0.000 0.297 306 A C -0.117 177.546 177.584 0.132 0.000 1.061 306 A CA -0.006 52.144 52.037 0.189 0.000 0.690 306 A CB 1.113 20.231 19.000 0.197 0.000 1.287 306 A HN 1.464 nan 8.150 nan 0.000 0.402 307 G N -0.275 108.595 108.800 0.116 0.000 2.539 307 G HA2 0.653 4.601 3.960 -0.021 0.000 0.138 307 G HA3 0.653 4.601 3.960 -0.021 0.000 0.138 307 G C -0.477 174.435 174.900 0.020 0.000 1.148 307 G CA 0.594 45.739 45.100 0.075 0.000 1.057 307 G HN 1.826 nan 8.290 nan 0.000 0.511 308 T N -1.565 112.949 114.554 -0.067 0.000 2.876 308 T HA 0.790 5.128 4.350 -0.021 0.000 0.289 308 T C -0.407 174.204 174.700 -0.149 0.000 1.014 308 T CA -0.523 61.487 62.100 -0.149 0.000 0.986 308 T CB 1.918 70.581 68.868 -0.342 0.000 1.021 308 T HN 0.572 nan 8.240 nan 0.000 0.458 309 M N 1.935 121.468 119.600 -0.112 0.000 2.593 309 M HA 0.734 5.202 4.480 -0.021 0.000 0.290 309 M C -0.608 175.658 176.300 -0.057 0.000 1.244 309 M CA -0.802 54.455 55.300 -0.072 0.000 0.857 309 M CB 2.628 35.196 32.600 -0.053 0.000 1.738 309 M HN 0.883 nan 8.290 nan 0.000 0.461 310 S N -0.481 115.217 115.700 -0.003 0.000 2.587 310 S HA 0.438 4.896 4.470 -0.021 0.000 0.269 310 S C -0.215 174.447 174.600 0.104 0.000 1.154 310 S CA -0.678 57.534 58.200 0.020 0.000 0.824 310 S CB 2.119 65.309 63.200 -0.016 0.000 1.118 310 S HN 0.892 nan 8.310 nan 0.000 0.462 311 R N 0.488 121.039 120.500 0.086 0.000 2.127 311 R HA 0.204 4.531 4.340 -0.021 0.000 0.217 311 R C 0.200 176.648 176.300 0.247 0.000 1.074 311 R CA 0.842 57.017 56.100 0.126 0.000 0.991 311 R CB -0.037 30.297 30.300 0.057 0.000 0.895 311 R HN 0.693 nan 8.270 nan 0.000 0.450 312 Q N -0.152 119.719 119.800 0.118 0.000 2.241 312 Q HA 0.157 4.484 4.340 -0.021 0.000 0.262 312 Q C 0.279 176.081 176.000 -0.330 0.000 1.014 312 Q CA -0.516 55.273 55.803 -0.024 0.000 0.885 312 Q CB 1.809 30.519 28.738 -0.046 0.000 1.311 312 Q HN 0.052 nan 8.270 nan 0.000 0.461 313 L N 1.066 121.888 121.223 -0.669 0.000 2.156 313 L HA -0.140 4.188 4.340 -0.021 0.000 0.208 313 L C 2.060 178.750 176.870 -0.300 0.000 1.095 313 L CA 1.917 56.326 54.840 -0.717 0.000 0.770 313 L CB -0.170 41.467 42.059 -0.703 0.000 0.914 313 L HN 0.826 nan 8.230 nan 0.000 0.439 314 S N -1.602 113.982 115.700 -0.194 0.000 2.428 314 S HA 0.022 4.479 4.470 -0.021 0.000 0.230 314 S C 1.647 176.211 174.600 -0.060 0.000 1.014 314 S CA 0.469 58.613 58.200 -0.094 0.000 0.957 314 S CB -0.767 62.393 63.200 -0.066 0.000 0.784 314 S HN 0.393 nan 8.310 nan 0.000 0.499 315 G N 0.679 109.433 108.800 -0.076 0.000 3.678 315 G HA2 0.486 4.434 3.960 -0.021 0.000 0.287 315 G HA3 0.486 4.434 3.960 -0.021 0.000 0.287 315 G C 0.709 175.564 174.900 -0.074 0.000 1.280 315 G CA -0.373 44.697 45.100 -0.050 0.000 1.118 315 G HN 0.408 nan 8.290 nan 0.000 0.563 316 L N -0.841 120.316 121.223 -0.109 0.000 1.982 316 L HA 0.191 4.518 4.340 -0.021 0.000 0.206 316 L C 1.424 178.111 176.870 -0.306 0.000 1.078 316 L CA 0.947 55.635 54.840 -0.254 0.000 0.749 316 L CB -0.147 41.687 42.059 -0.375 0.000 0.894 316 L HN 0.247 nan 8.230 nan 0.000 0.436 317 F N 0.098 120.040 119.950 -0.013 0.000 2.843 317 F HA 0.083 4.597 4.527 -0.021 0.000 0.290 317 F C 0.228 176.024 175.800 -0.007 0.000 1.221 317 F CA -0.668 57.328 58.000 -0.005 0.000 1.413 317 F CB -0.559 38.438 39.000 -0.005 0.000 1.019 317 F HN 0.069 nan 8.300 nan 0.000 0.512 318 D N 0.285 120.733 120.400 0.080 0.000 2.432 318 D HA 0.445 5.073 4.640 -0.021 0.000 0.258 318 D C 0.133 176.455 176.300 0.037 0.000 1.146 318 D CA -0.445 53.587 54.000 0.052 0.000 1.015 318 D CB 0.888 41.699 40.800 0.018 0.000 1.107 318 D HN 0.111 nan 8.370 nan 0.000 0.529 319 A N -0.362 122.474 122.820 0.027 0.000 2.450 319 A HA 0.505 4.812 4.320 -0.021 0.000 0.255 319 A C 1.237 178.823 177.584 0.003 0.000 1.096 319 A CA 0.343 52.391 52.037 0.019 0.000 0.778 319 A CB -0.356 18.654 19.000 0.017 0.000 1.031 319 A HN 0.852 nan 8.150 nan 0.000 0.494 320 G N 1.305 110.104 108.800 -0.002 0.000 2.153 320 G HA2 -0.248 3.700 3.960 -0.021 0.000 0.252 320 G HA3 -0.248 3.700 3.960 -0.021 0.000 0.252 320 G C 0.882 175.760 174.900 -0.037 0.000 0.994 320 G CA 1.214 46.302 45.100 -0.020 0.000 0.698 320 G HN 2.112 nan 8.290 nan 0.000 0.521 321 S N -0.533 115.148 115.700 -0.033 0.000 2.556 321 S HA 0.534 4.992 4.470 -0.021 0.000 0.216 321 S C 1.407 175.967 174.600 -0.067 0.000 0.970 321 S CA 0.818 58.986 58.200 -0.054 0.000 0.912 321 S CB 0.510 63.675 63.200 -0.058 0.000 0.790 321 S HN 1.599 nan 8.310 nan 0.000 0.504 322 G N 1.550 110.319 108.800 -0.051 0.000 2.554 322 G HA2 0.441 4.388 3.960 -0.021 0.000 0.238 322 G HA3 0.441 4.388 3.960 -0.021 0.000 0.238 322 G C -0.256 174.576 174.900 -0.114 0.000 1.259 322 G CA 0.267 45.340 45.100 -0.045 0.000 0.843 322 G HN 0.962 nan 8.290 nan 0.000 0.582 323 S N 0.335 115.986 115.700 -0.082 0.000 2.550 323 S HA 0.770 5.227 4.470 -0.021 0.000 0.270 323 S C -1.212 173.403 174.600 0.025 0.000 1.145 323 S CA -0.888 57.220 58.200 -0.152 0.000 0.852 323 S CB 1.610 64.749 63.200 -0.102 0.000 1.119 323 S HN 1.580 nan 8.310 nan 0.000 0.465 324 W N 0.985 122.304 121.300 0.033 0.000 3.047 324 W HA 0.888 5.539 4.660 -0.017 0.000 0.341 324 W C -2.350 174.210 176.519 0.068 0.000 1.225 324 W CA -1.314 56.063 57.345 0.052 0.000 1.150 324 W CB 0.667 30.162 29.460 0.057 0.000 1.470 324 W HN 0.829 nan 8.180 nan 0.000 0.578 325 L N 2.343 123.866 121.223 0.499 0.000 2.482 325 L HA 0.774 5.102 4.340 -0.021 0.000 0.263 325 L C -2.219 174.877 176.870 0.377 0.000 0.957 325 L CA -0.976 54.093 54.840 0.382 0.000 0.836 325 L CB 1.922 44.102 42.059 0.202 0.000 1.324 325 L HN 0.526 nan 8.230 nan 0.000 0.406 326 F N 3.866 123.915 119.950 0.164 0.000 2.579 326 F HA 0.535 5.043 4.527 -0.031 0.000 0.325 326 F C -0.603 175.245 175.800 0.080 0.000 1.162 326 F CA -0.033 58.018 58.000 0.085 0.000 0.946 326 F CB 1.513 40.528 39.000 0.024 0.000 1.211 326 F HN 0.626 nan 8.300 nan 0.000 0.447 327 Q N 8.275 127.891 119.800 -0.306 0.000 3.244 327 Q HA 0.347 4.675 4.340 -0.021 0.000 0.249 327 Q C -2.701 173.137 176.000 -0.269 0.000 0.951 327 Q CA -2.129 53.569 55.803 -0.175 0.000 0.740 327 Q CB 1.324 30.026 28.738 -0.060 0.000 1.334 327 Q HN 0.288 nan 8.270 nan 0.000 0.448 328 P HA 0.198 nan 4.420 nan 0.000 0.275 328 P C -0.805 176.435 177.300 -0.100 0.000 1.228 328 P CA -0.105 62.861 63.100 -0.223 0.000 0.786 328 P CB 1.731 33.339 31.700 -0.154 0.000 0.927 329 S N 1.257 116.905 115.700 -0.086 0.000 2.569 329 S HA 0.702 5.159 4.470 -0.021 0.000 0.280 329 S C -0.532 174.045 174.600 -0.039 0.000 1.111 329 S CA -0.393 57.778 58.200 -0.049 0.000 0.887 329 S CB 1.030 64.203 63.200 -0.045 0.000 1.095 329 S HN 0.281 nan 8.310 nan 0.000 0.476 330 I N 2.383 122.943 120.570 -0.016 0.000 2.534 330 I HA 0.418 4.576 4.170 -0.021 0.000 0.288 330 I C -0.500 175.619 176.117 0.004 0.000 1.077 330 I CA -0.339 60.961 61.300 0.000 0.000 1.051 330 I CB 1.899 39.910 38.000 0.018 0.000 1.234 330 I HN 0.502 nan 8.210 nan 0.000 0.425 331 N N 6.040 124.744 118.700 0.006 0.000 2.342 331 N HA 0.586 5.314 4.740 -0.021 0.000 0.293 331 N C -1.911 173.602 175.510 0.005 0.000 1.026 331 N CA -0.500 52.551 53.050 0.002 0.000 0.857 331 N CB 2.269 40.751 38.487 -0.008 0.000 1.256 331 N HN 0.548 nan 8.380 nan 0.000 0.484 332 L N 5.115 126.336 121.223 -0.004 0.000 2.372 332 L HA 0.602 4.930 4.340 -0.021 0.000 0.273 332 L C -2.553 174.303 176.870 -0.024 0.000 0.989 332 L CA -1.509 53.320 54.840 -0.018 0.000 0.841 332 L CB 1.415 43.461 42.059 -0.020 0.000 1.225 332 L HN 0.446 nan 8.230 nan 0.000 0.414 333 P HA 0.266 nan 4.420 nan 0.000 0.271 333 P C -0.034 177.255 177.300 -0.019 0.000 1.216 333 P CA -0.281 62.794 63.100 -0.042 0.000 0.771 333 P CB 0.900 32.541 31.700 -0.099 0.000 0.864 334 I N 0.909 121.491 120.570 0.020 0.000 3.534 334 I HA 0.177 4.334 4.170 -0.021 0.000 0.251 334 I C 0.559 176.742 176.117 0.110 0.000 1.136 334 I CA 0.478 61.811 61.300 0.055 0.000 1.475 334 I CB -0.843 37.196 38.000 0.065 0.000 1.526 334 I HN 0.206 nan 8.210 nan 0.000 0.454 335 F N 3.944 123.882 119.950 -0.019 0.000 2.404 335 F HA 0.506 5.020 4.527 -0.022 0.000 0.354 335 F C -0.054 175.731 175.800 -0.024 0.000 1.122 335 F CA -0.452 57.539 58.000 -0.014 0.000 1.080 335 F CB 0.943 39.935 39.000 -0.013 0.000 1.131 335 F HN 0.031 nan 8.300 nan 0.000 0.471 336 T N 2.725 116.875 114.554 -0.673 0.000 2.893 336 T HA 0.652 4.989 4.350 -0.021 0.000 0.293 336 T C -0.220 173.919 174.700 -0.935 0.000 1.027 336 T CA -0.821 60.877 62.100 -0.669 0.000 0.988 336 T CB 1.657 70.325 68.868 -0.335 0.000 1.043 336 T HN 0.784 nan 8.240 nan 0.000 0.461 337 A N 1.395 123.761 122.820 -0.756 0.000 3.051 337 A HA 0.577 4.885 4.320 -0.021 0.000 0.257 337 A C 1.791 179.231 177.584 -0.239 0.000 1.785 337 A CA 0.029 51.781 52.037 -0.475 0.000 1.420 337 A CB -1.835 17.054 19.000 -0.185 0.000 1.063 337 A HN 2.223 nan 8.150 nan 0.000 0.630 338 G N -0.121 108.544 108.800 -0.225 0.000 2.168 338 G HA2 -0.356 3.592 3.960 -0.021 0.000 0.263 338 G HA3 -0.356 3.592 3.960 -0.021 0.000 0.263 338 G C 1.445 176.292 174.900 -0.087 0.000 0.977 338 G CA 1.118 46.155 45.100 -0.105 0.000 0.659 338 G HN 0.964 nan 8.290 nan 0.000 0.533 339 S N -0.496 115.119 115.700 -0.141 0.000 2.353 339 S HA -0.010 4.447 4.470 -0.021 0.000 0.222 339 S C 2.480 177.005 174.600 -0.126 0.000 1.035 339 S CA 1.732 59.856 58.200 -0.126 0.000 1.025 339 S CB -0.218 62.892 63.200 -0.151 0.000 0.902 339 S HN 0.554 nan 8.310 nan 0.000 0.440 340 L N 0.685 121.788 121.223 -0.200 0.000 2.217 340 L HA 0.024 4.352 4.340 -0.021 0.000 0.211 340 L C 2.783 179.625 176.870 -0.045 0.000 1.107 340 L CA 1.052 55.693 54.840 -0.332 0.000 0.783 340 L CB -0.436 41.096 42.059 -0.879 0.000 0.919 340 L HN 0.309 nan 8.230 nan 0.000 0.442 341 R N 0.520 121.107 120.500 0.144 0.000 2.073 341 R HA -0.123 4.205 4.340 -0.021 0.000 0.229 341 R C 2.392 178.773 176.300 0.136 0.000 1.120 341 R CA 1.285 57.537 56.100 0.253 0.000 0.967 341 R CB -0.171 30.229 30.300 0.167 0.000 0.862 341 R HN 0.299 nan 8.270 nan 0.000 0.436 342 A N 0.127 122.987 122.820 0.068 0.000 1.902 342 A HA -0.128 4.180 4.320 -0.021 0.000 0.217 342 A C 2.152 179.790 177.584 0.091 0.000 1.181 342 A CA 1.917 53.991 52.037 0.062 0.000 0.623 342 A CB -0.493 18.519 19.000 0.020 0.000 0.818 342 A HN 0.412 nan 8.150 nan 0.000 0.443 343 S N -0.698 115.033 115.700 0.052 0.000 2.402 343 S HA -0.094 4.364 4.470 -0.021 0.000 0.229 343 S C 1.794 176.483 174.600 0.149 0.000 1.021 343 S CA 1.301 59.541 58.200 0.065 0.000 0.974 343 S CB -0.295 62.893 63.200 -0.019 0.000 0.800 343 S HN 0.485 nan 8.310 nan 0.000 0.484 344 L N 2.132 123.453 121.223 0.163 0.000 2.072 344 L HA -0.001 4.327 4.340 -0.021 0.000 0.205 344 L C 1.471 178.430 176.870 0.148 0.000 1.079 344 L CA 1.765 56.720 54.840 0.193 0.000 0.752 344 L CB -0.774 41.458 42.059 0.289 0.000 0.906 344 L HN 0.018 nan 8.230 nan 0.000 0.436 345 D N -1.203 119.279 120.400 0.136 0.000 2.104 345 D HA -0.284 4.343 4.640 -0.021 0.000 0.194 345 D C 2.012 178.378 176.300 0.109 0.000 0.994 345 D CA 1.810 55.871 54.000 0.101 0.000 0.830 345 D CB -0.396 40.458 40.800 0.090 0.000 0.959 345 D HN 0.490 nan 8.370 nan 0.000 0.452 346 Y N 1.341 121.661 120.300 0.033 0.000 2.165 346 Y HA -0.237 4.300 4.550 -0.022 0.000 0.286 346 Y C 2.253 178.172 175.900 0.032 0.000 1.155 346 Y CA 1.980 60.096 58.100 0.028 0.000 1.164 346 Y CB -0.324 38.149 38.460 0.022 0.000 0.978 346 Y HN -0.037 nan 8.280 nan 0.000 0.513 347 A N 0.315 123.216 122.820 0.135 0.000 1.902 347 A HA -0.190 4.118 4.320 -0.021 0.000 0.217 347 A C 2.215 179.786 177.584 -0.022 0.000 1.181 347 A CA 1.947 54.016 52.037 0.054 0.000 0.623 347 A CB -0.562 18.510 19.000 0.120 0.000 0.818 347 A HN 0.517 nan 8.150 nan 0.000 0.443 348 K N -0.621 119.782 120.400 0.005 0.000 2.097 348 K HA -0.040 4.268 4.320 -0.021 0.000 0.206 348 K C 1.778 178.351 176.600 -0.045 0.000 1.049 348 K CA 1.412 57.695 56.287 -0.007 0.000 0.933 348 K CB -0.342 32.166 32.500 0.014 0.000 0.717 348 K HN 0.525 nan 8.250 nan 0.000 0.442 349 I N 1.259 121.780 120.570 -0.081 0.000 2.226 349 I HA -0.284 3.874 4.170 -0.021 0.000 0.245 349 I C 2.479 178.504 176.117 -0.154 0.000 1.100 349 I CA 1.096 62.329 61.300 -0.111 0.000 1.374 349 I CB -0.135 37.790 38.000 -0.125 0.000 1.057 349 I HN 0.162 nan 8.210 nan 0.000 0.413 350 Q N 0.604 120.256 119.800 -0.246 0.000 2.124 350 Q HA -0.237 4.090 4.340 -0.021 0.000 0.202 350 Q C 2.145 178.088 176.000 -0.094 0.000 0.977 350 Q CA 1.347 57.022 55.803 -0.213 0.000 0.850 350 Q CB -0.405 28.162 28.738 -0.284 0.000 0.901 350 Q HN 0.492 nan 8.270 nan 0.000 0.429 351 K N 0.808 121.170 120.400 -0.063 0.000 2.026 351 K HA -0.181 4.127 4.320 -0.021 0.000 0.208 351 K C 1.309 177.900 176.600 -0.015 0.000 1.048 351 K CA 1.592 57.867 56.287 -0.021 0.000 0.929 351 K CB 0.085 32.584 32.500 -0.002 0.000 0.713 351 K HN 0.020 nan 8.250 nan 0.000 0.439 352 D N 0.738 121.123 120.400 -0.026 0.000 2.182 352 D HA -0.145 4.483 4.640 -0.021 0.000 0.201 352 D C 1.819 178.111 176.300 -0.013 0.000 0.986 352 D CA 0.979 54.968 54.000 -0.018 0.000 0.847 352 D CB -0.059 40.727 40.800 -0.024 0.000 0.942 352 D HN 0.291 nan 8.370 nan 0.000 0.467 353 I N 0.615 121.168 120.570 -0.028 0.000 2.252 353 I HA -0.210 3.947 4.170 -0.021 0.000 0.245 353 I C 2.002 178.121 176.117 0.004 0.000 1.102 353 I CA 0.734 62.022 61.300 -0.020 0.000 1.385 353 I CB -0.130 37.845 38.000 -0.042 0.000 1.064 353 I HN -0.004 nan 8.210 nan 0.000 0.414 354 N N 0.382 119.085 118.700 0.005 0.000 2.309 354 N HA -0.098 4.630 4.740 -0.021 0.000 0.182 354 N C 1.926 177.477 175.510 0.068 0.000 1.018 354 N CA 0.983 54.051 53.050 0.030 0.000 0.876 354 N CB 0.015 38.510 38.487 0.014 0.000 0.972 354 N HN 0.171 nan 8.380 nan 0.000 0.434 355 V N 1.698 121.645 119.914 0.056 0.000 2.295 355 V HA -0.207 3.900 4.120 -0.021 0.000 0.246 355 V C 2.493 178.650 176.094 0.106 0.000 1.049 355 V CA 1.909 64.262 62.300 0.089 0.000 1.024 355 V CB -0.885 30.964 31.823 0.044 0.000 0.648 355 V HN 0.264 nan 8.190 nan 0.000 0.447 356 A N -1.025 121.828 122.820 0.054 0.000 1.933 356 A HA -0.275 4.032 4.320 -0.021 0.000 0.218 356 A C 2.165 179.770 177.584 0.037 0.000 1.175 356 A CA 1.878 53.935 52.037 0.033 0.000 0.628 356 A CB -0.466 18.542 19.000 0.013 0.000 0.814 356 A HN 0.632 nan 8.150 nan 0.000 0.444 357 Q N -2.297 117.534 119.800 0.052 0.000 2.167 357 Q HA -0.151 4.176 4.340 -0.021 0.000 0.202 357 Q C 1.920 177.967 176.000 0.078 0.000 0.970 357 Q CA 1.554 57.387 55.803 0.050 0.000 0.855 357 Q CB -0.260 28.506 28.738 0.046 0.000 0.911 357 Q HN 0.855 nan 8.270 nan 0.000 0.438 358 Y N 1.555 121.847 120.300 -0.013 0.000 2.220 358 Y HA -0.140 4.398 4.550 -0.019 0.000 0.291 358 Y C 1.658 177.548 175.900 -0.016 0.000 1.129 358 Y CA 1.500 59.591 58.100 -0.015 0.000 1.161 358 Y CB 0.152 38.608 38.460 -0.007 0.000 0.997 358 Y HN 0.041 nan 8.280 nan 0.000 0.522 359 E N 0.034 120.198 120.200 -0.059 0.000 2.150 359 E HA -0.200 4.138 4.350 -0.021 0.000 0.193 359 E C 2.118 178.637 176.600 -0.134 0.000 0.985 359 E CA 1.024 57.339 56.400 -0.142 0.000 0.814 359 E CB -0.090 29.586 29.700 -0.040 0.000 0.752 359 E HN 0.354 nan 8.360 nan 0.000 0.466 360 K N 0.617 120.971 120.400 -0.076 0.000 2.103 360 K HA -0.053 4.255 4.320 -0.021 0.000 0.204 360 K C 2.136 178.698 176.600 -0.063 0.000 1.052 360 K CA 0.856 57.111 56.287 -0.053 0.000 0.945 360 K CB -0.016 32.471 32.500 -0.021 0.000 0.722 360 K HN 0.056 nan 8.250 nan 0.000 0.443 361 A N 1.463 124.230 122.820 -0.088 0.000 1.940 361 A HA -0.156 4.151 4.320 -0.021 0.000 0.219 361 A C 2.043 179.563 177.584 -0.107 0.000 1.176 361 A CA 1.394 53.379 52.037 -0.086 0.000 0.631 361 A CB -0.504 18.445 19.000 -0.085 0.000 0.814 361 A HN 0.298 nan 8.150 nan 0.000 0.446 362 I N -0.814 119.639 120.570 -0.194 0.000 2.202 362 I HA -0.291 3.867 4.170 -0.021 0.000 0.242 362 I C 2.774 178.870 176.117 -0.035 0.000 1.091 362 I CA 1.476 62.684 61.300 -0.154 0.000 1.368 362 I CB -0.496 37.342 38.000 -0.271 0.000 1.058 362 I HN 0.397 nan 8.210 nan 0.000 0.410 363 Q N 0.168 119.934 119.800 -0.056 0.000 2.084 363 Q HA -0.177 4.150 4.340 -0.021 0.000 0.202 363 Q C 2.263 178.310 176.000 0.078 0.000 0.978 363 Q CA 2.116 57.917 55.803 -0.004 0.000 0.844 363 Q CB -0.274 28.439 28.738 -0.042 0.000 0.898 363 Q HN 0.497 nan 8.270 nan 0.000 0.426 364 T N 0.774 115.352 114.554 0.040 0.000 2.708 364 T HA -0.143 4.194 4.350 -0.021 0.000 0.266 364 T C 1.906 176.650 174.700 0.073 0.000 1.037 364 T CA 1.229 63.359 62.100 0.050 0.000 1.146 364 T CB -0.283 68.596 68.868 0.019 0.000 0.865 364 T HN 0.397 nan 8.240 nan 0.000 0.435 365 A N 0.756 123.616 122.820 0.067 0.000 1.933 365 A HA -0.012 4.296 4.320 -0.021 0.000 0.218 365 A C 2.004 179.668 177.584 0.133 0.000 1.175 365 A CA 1.192 53.272 52.037 0.071 0.000 0.628 365 A CB -0.968 18.060 19.000 0.046 0.000 0.814 365 A HN 0.474 nan 8.150 nan 0.000 0.444 366 F N 0.538 120.518 119.950 0.050 0.000 2.102 366 F HA -0.230 4.284 4.527 -0.021 0.000 0.298 366 F C 2.622 178.489 175.800 0.111 0.000 1.105 366 F CA 2.317 60.388 58.000 0.119 0.000 1.239 366 F CB -0.162 38.871 39.000 0.056 0.000 0.991 366 F HN 0.349 nan 8.300 nan 0.000 0.474 367 Q N 0.781 120.725 119.800 0.241 0.000 2.061 367 Q HA -0.258 4.070 4.340 -0.021 0.000 0.204 367 Q C 1.984 178.009 176.000 0.041 0.000 0.984 367 Q CA 2.316 58.203 55.803 0.141 0.000 0.846 367 Q CB -0.370 28.445 28.738 0.128 0.000 0.902 367 Q HN 0.602 nan 8.270 nan 0.000 0.421 368 E N -0.486 119.730 120.200 0.027 0.000 2.106 368 E HA -0.117 4.221 4.350 -0.021 0.000 0.192 368 E C 2.155 178.724 176.600 -0.051 0.000 0.984 368 E CA 1.270 57.669 56.400 -0.000 0.000 0.806 368 E CB 0.138 29.842 29.700 0.006 0.000 0.750 368 E HN 0.185 nan 8.360 nan 0.000 0.458 369 V N 1.329 121.175 119.914 -0.113 0.000 2.379 369 V HA -0.207 3.901 4.120 -0.021 0.000 0.245 369 V C 2.326 178.233 176.094 -0.313 0.000 1.044 369 V CA 1.691 63.842 62.300 -0.248 0.000 1.036 369 V CB -0.659 30.940 31.823 -0.373 0.000 0.664 369 V HN 0.294 nan 8.190 nan 0.000 0.453 370 A N 0.136 122.778 122.820 -0.297 0.000 1.902 370 A HA -0.257 4.051 4.320 -0.021 0.000 0.217 370 A C 1.945 179.563 177.584 0.057 0.000 1.181 370 A CA 2.129 54.066 52.037 -0.166 0.000 0.623 370 A CB -0.648 18.258 19.000 -0.156 0.000 0.818 370 A HN 0.522 nan 8.150 nan 0.000 0.443 371 D N -0.422 119.991 120.400 0.022 0.000 2.178 371 D HA -0.038 4.589 4.640 -0.021 0.000 0.202 371 D C 2.027 178.337 176.300 0.016 0.000 0.974 371 D CA 1.338 55.358 54.000 0.034 0.000 0.841 371 D CB -0.550 40.270 40.800 0.032 0.000 0.953 371 D HN 0.436 nan 8.370 nan 0.000 0.478 372 G N 0.138 108.933 108.800 -0.009 0.000 2.421 372 G HA2 -0.135 3.813 3.960 -0.021 0.000 0.217 372 G HA3 -0.135 3.813 3.960 -0.021 0.000 0.217 372 G C 1.639 176.537 174.900 -0.003 0.000 1.143 372 G CA 0.135 45.234 45.100 -0.002 0.000 0.784 372 G HN 0.256 nan 8.290 nan 0.000 0.541 373 L N 0.447 121.657 121.223 -0.021 0.000 2.179 373 L HA 0.110 4.438 4.340 -0.021 0.000 0.208 373 L C 3.293 180.166 176.870 0.005 0.000 1.096 373 L CA 0.706 55.562 54.840 0.027 0.000 0.779 373 L CB -0.249 41.837 42.059 0.045 0.000 0.922 373 L HN 0.271 nan 8.230 nan 0.000 0.443 374 A N 0.276 123.040 122.820 -0.092 0.000 1.930 374 A HA -0.123 4.185 4.320 -0.021 0.000 0.217 374 A C 2.536 179.977 177.584 -0.239 0.000 1.175 374 A CA 1.619 53.402 52.037 -0.424 0.000 0.627 374 A CB -0.551 18.211 19.000 -0.398 0.000 0.815 374 A HN 0.370 nan 8.150 nan 0.000 0.443 375 A N -0.236 122.544 122.820 -0.067 0.000 1.898 375 A HA -0.140 4.168 4.320 -0.021 0.000 0.216 375 A C 2.235 179.918 177.584 0.165 0.000 1.181 375 A CA 1.662 53.752 52.037 0.089 0.000 0.620 375 A CB -0.518 18.660 19.000 0.297 0.000 0.819 375 A HN 0.548 nan 8.150 nan 0.000 0.442 376 R N -0.510 120.047 120.500 0.094 0.000 2.096 376 R HA -0.145 4.183 4.340 -0.021 0.000 0.240 376 R C 1.956 178.279 176.300 0.038 0.000 1.139 376 R CA 1.684 57.833 56.100 0.081 0.000 0.952 376 R CB -0.658 29.671 30.300 0.048 0.000 0.854 376 R HN 0.449 nan 8.270 nan 0.000 0.436 377 G N -1.612 107.168 108.800 -0.033 0.000 2.956 377 G HA2 -0.085 3.863 3.960 -0.021 0.000 0.207 377 G HA3 -0.085 3.863 3.960 -0.021 0.000 0.207 377 G C 0.802 175.641 174.900 -0.101 0.000 1.162 377 G CA 0.900 45.963 45.100 -0.061 0.000 0.796 377 G HN 0.573 nan 8.290 nan 0.000 0.527 378 T N -4.659 109.823 114.554 -0.121 0.000 3.051 378 T HA 0.191 4.528 4.350 -0.021 0.000 0.254 378 T C 1.750 176.348 174.700 -0.170 0.000 0.916 378 T CA -0.343 61.642 62.100 -0.192 0.000 0.894 378 T CB -0.319 68.352 68.868 -0.327 0.000 1.251 378 T HN 0.051 nan 8.240 nan 0.000 0.517 379 F N 2.822 122.746 119.950 -0.044 0.000 2.234 379 F HA -0.003 4.512 4.527 -0.021 0.000 0.299 379 F C 2.765 178.551 175.800 -0.024 0.000 1.087 379 F CA 1.287 59.268 58.000 -0.031 0.000 1.340 379 F CB -0.441 38.544 39.000 -0.026 0.000 1.031 379 F HN 0.132 nan 8.300 nan 0.000 0.500 380 T N -0.431 114.212 114.554 0.148 0.000 2.684 380 T HA -0.229 4.109 4.350 -0.021 0.000 0.267 380 T C 1.630 176.361 174.700 0.052 0.000 1.036 380 T CA 1.779 63.927 62.100 0.080 0.000 1.148 380 T CB -0.318 68.579 68.868 0.047 0.000 0.863 380 T HN 0.154 nan 8.240 nan 0.000 0.436 381 E N 0.992 121.207 120.200 0.025 0.000 2.051 381 E HA -0.123 4.215 4.350 -0.021 0.000 0.192 381 E C 2.311 178.916 176.600 0.009 0.000 0.991 381 E CA 1.012 57.415 56.400 0.004 0.000 0.799 381 E CB -0.294 29.392 29.700 -0.024 0.000 0.748 381 E HN 0.519 nan 8.360 nan 0.000 0.449 382 Q N 0.005 119.811 119.800 0.010 0.000 2.050 382 Q HA -0.158 4.170 4.340 -0.021 0.000 0.202 382 Q C 2.118 178.156 176.000 0.064 0.000 0.980 382 Q CA 1.257 57.075 55.803 0.024 0.000 0.840 382 Q CB -0.108 28.638 28.738 0.013 0.000 0.898 382 Q HN 0.271 nan 8.270 nan 0.000 0.424 383 L N 0.277 121.560 121.223 0.100 0.000 2.141 383 L HA -0.201 4.127 4.340 -0.021 0.000 0.209 383 L C 2.560 179.456 176.870 0.043 0.000 1.094 383 L CA 0.983 55.868 54.840 0.075 0.000 0.763 383 L CB -0.251 41.853 42.059 0.076 0.000 0.908 383 L HN 0.267 nan 8.230 nan 0.000 0.437 384 Q N 0.135 119.957 119.800 0.037 0.000 2.020 384 Q HA -0.185 4.143 4.340 -0.021 0.000 0.202 384 Q C 2.282 178.295 176.000 0.021 0.000 0.982 384 Q CA 2.188 58.006 55.803 0.024 0.000 0.838 384 Q CB -0.365 28.384 28.738 0.019 0.000 0.899 384 Q HN 0.434 nan 8.270 nan 0.000 0.423 385 A N -0.100 122.732 122.820 0.019 0.000 1.908 385 A HA -0.271 4.036 4.320 -0.021 0.000 0.218 385 A C 2.082 179.679 177.584 0.022 0.000 1.181 385 A CA 1.959 54.006 52.037 0.016 0.000 0.627 385 A CB -0.808 18.197 19.000 0.009 0.000 0.818 385 A HN 0.485 nan 8.150 nan 0.000 0.445 386 Q N -0.281 119.535 119.800 0.027 0.000 2.119 386 Q HA -0.071 4.257 4.340 -0.021 0.000 0.201 386 Q C 2.163 178.179 176.000 0.027 0.000 0.972 386 Q CA 1.681 57.501 55.803 0.029 0.000 0.847 386 Q CB -0.239 28.520 28.738 0.034 0.000 0.903 386 Q HN 0.678 nan 8.270 nan 0.000 0.433 387 R N -0.010 120.505 120.500 0.025 0.000 2.081 387 R HA -0.110 4.218 4.340 -0.021 0.000 0.235 387 R C 1.651 177.967 176.300 0.027 0.000 1.131 387 R CA 1.432 57.546 56.100 0.023 0.000 0.960 387 R CB -0.194 30.117 30.300 0.019 0.000 0.856 387 R HN 0.354 nan 8.270 nan 0.000 0.436 388 D N 0.765 121.180 120.400 0.026 0.000 2.144 388 D HA -0.155 4.473 4.640 -0.021 0.000 0.199 388 D C 1.807 178.128 176.300 0.035 0.000 0.984 388 D CA 0.782 54.798 54.000 0.027 0.000 0.834 388 D CB -0.180 40.632 40.800 0.021 0.000 0.955 388 D HN 0.064 nan 8.370 nan 0.000 0.465 389 L N 0.659 121.903 121.223 0.035 0.000 2.027 389 L HA -0.126 4.201 4.340 -0.021 0.000 0.206 389 L C 2.218 179.124 176.870 0.060 0.000 1.074 389 L CA 1.323 56.190 54.840 0.045 0.000 0.745 389 L CB -0.621 41.461 42.059 0.039 0.000 0.898 389 L HN -0.133 nan 8.230 nan 0.000 0.433 390 V N -0.000 119.945 119.914 0.051 0.000 2.282 390 V HA -0.369 3.739 4.120 -0.021 0.000 0.249 390 V C 2.654 178.788 176.094 0.066 0.000 1.057 390 V CA 2.331 64.664 62.300 0.055 0.000 1.032 390 V CB -0.725 31.121 31.823 0.039 0.000 0.645 390 V HN 0.471 nan 8.190 nan 0.000 0.447 391 K N 0.021 120.456 120.400 0.057 0.000 2.032 391 K HA -0.167 4.141 4.320 -0.021 0.000 0.209 391 K C 2.306 178.955 176.600 0.081 0.000 1.048 391 K CA 1.622 57.946 56.287 0.061 0.000 0.927 391 K CB -0.510 32.017 32.500 0.045 0.000 0.712 391 K HN 0.483 nan 8.250 nan 0.000 0.441 392 A N 0.804 123.671 122.820 0.079 0.000 1.933 392 A HA -0.158 4.150 4.320 -0.021 0.000 0.218 392 A C 2.147 179.829 177.584 0.163 0.000 1.175 392 A CA 1.950 54.043 52.037 0.093 0.000 0.628 392 A CB -0.483 18.555 19.000 0.063 0.000 0.814 392 A HN 0.209 nan 8.150 nan 0.000 0.444 393 S N -0.265 115.540 115.700 0.175 0.000 2.402 393 S HA -0.125 4.333 4.470 -0.021 0.000 0.229 393 S C 1.733 176.460 174.600 0.212 0.000 1.021 393 S CA 1.184 59.530 58.200 0.244 0.000 0.974 393 S CB -0.338 62.967 63.200 0.174 0.000 0.800 393 S HN 0.682 nan 8.310 nan 0.000 0.484 394 D N 1.573 122.069 120.400 0.161 0.000 2.084 394 D HA -0.118 4.510 4.640 -0.021 0.000 0.194 394 D C 2.037 178.450 176.300 0.188 0.000 0.990 394 D CA 1.101 55.201 54.000 0.167 0.000 0.826 394 D CB -0.102 40.767 40.800 0.115 0.000 0.971 394 D HN 0.328 nan 8.370 nan 0.000 0.453 395 E N -0.446 119.847 120.200 0.155 0.000 2.085 395 E HA -0.223 4.115 4.350 -0.021 0.000 0.194 395 E C 2.145 178.853 176.600 0.180 0.000 0.994 395 E CA 0.735 57.215 56.400 0.133 0.000 0.801 395 E CB -0.636 29.125 29.700 0.103 0.000 0.743 395 E HN 0.461 nan 8.360 nan 0.000 0.453 396 Y N 1.455 121.796 120.300 0.069 0.000 2.114 396 Y HA -0.306 4.232 4.550 -0.021 0.000 0.284 396 Y C 2.274 178.219 175.900 0.075 0.000 1.143 396 Y CA 1.480 59.617 58.100 0.061 0.000 1.135 396 Y CB -1.071 37.429 38.460 0.067 0.000 0.980 396 Y HN 0.090 nan 8.280 nan 0.000 0.499 397 Y N 1.249 121.486 120.300 -0.105 0.000 2.128 397 Y HA -0.267 4.270 4.550 -0.020 0.000 0.284 397 Y C 2.426 178.283 175.900 -0.071 0.000 1.154 397 Y CA 2.423 60.408 58.100 -0.192 0.000 1.149 397 Y CB -0.703 37.682 38.460 -0.125 0.000 0.976 397 Y HN 0.295 nan 8.280 nan 0.000 0.505 398 Q N 0.025 119.694 119.800 -0.219 0.000 2.050 398 Q HA -0.190 4.137 4.340 -0.021 0.000 0.202 398 Q C 2.387 178.275 176.000 -0.187 0.000 0.980 398 Q CA 2.059 57.702 55.803 -0.267 0.000 0.840 398 Q CB -0.301 28.406 28.738 -0.051 0.000 0.898 398 Q HN 0.529 nan 8.270 nan 0.000 0.424 399 L N 0.061 121.248 121.223 -0.060 0.000 2.017 399 L HA -0.196 4.132 4.340 -0.021 0.000 0.208 399 L C 2.521 179.372 176.870 -0.031 0.000 1.073 399 L CA 1.086 55.920 54.840 -0.011 0.000 0.745 399 L CB -0.577 41.522 42.059 0.066 0.000 0.894 399 L HN 0.216 nan 8.230 nan 0.000 0.432 400 A N -0.382 122.410 122.820 -0.046 0.000 1.933 400 A HA -0.281 4.026 4.320 -0.021 0.000 0.218 400 A C 1.938 179.440 177.584 -0.138 0.000 1.175 400 A CA 2.083 54.078 52.037 -0.070 0.000 0.628 400 A CB -0.603 18.319 19.000 -0.131 0.000 0.814 400 A HN 0.454 nan 8.150 nan 0.000 0.444 401 D N -0.430 119.796 120.400 -0.291 0.000 2.084 401 D HA -0.138 4.490 4.640 -0.021 0.000 0.194 401 D C 1.967 178.212 176.300 -0.090 0.000 0.990 401 D CA 1.678 55.513 54.000 -0.274 0.000 0.826 401 D CB -0.124 40.345 40.800 -0.552 0.000 0.971 401 D HN 0.445 nan 8.370 nan 0.000 0.453 402 K N -0.234 120.107 120.400 -0.098 0.000 2.057 402 K HA -0.089 4.219 4.320 -0.021 0.000 0.207 402 K C 2.419 179.011 176.600 -0.015 0.000 1.049 402 K CA 0.742 57.003 56.287 -0.045 0.000 0.931 402 K CB -0.110 32.363 32.500 -0.046 0.000 0.714 402 K HN 0.034 nan 8.250 nan 0.000 0.440 403 R N -0.061 120.438 120.500 -0.002 0.000 2.127 403 R HA -0.198 4.129 4.340 -0.021 0.000 0.238 403 R C 2.209 178.541 176.300 0.054 0.000 1.134 403 R CA 1.424 57.537 56.100 0.022 0.000 0.975 403 R CB -0.188 30.133 30.300 0.035 0.000 0.865 403 R HN 0.261 nan 8.270 nan 0.000 0.447 404 Y N 1.454 121.729 120.300 -0.041 0.000 2.114 404 Y HA -0.173 4.365 4.550 -0.020 0.000 0.284 404 Y C 2.141 178.047 175.900 0.010 0.000 1.119 404 Y CA 1.886 59.978 58.100 -0.013 0.000 1.108 404 Y CB -0.272 38.168 38.460 -0.032 0.000 0.995 404 Y HN -0.029 nan 8.280 nan 0.000 0.491 405 R N -1.056 119.353 120.500 -0.151 0.000 2.293 405 R HA -0.051 4.277 4.340 -0.021 0.000 0.219 405 R C 1.189 177.382 176.300 -0.178 0.000 1.091 405 R CA 1.590 57.554 56.100 -0.226 0.000 1.004 405 R CB -1.012 29.272 30.300 -0.027 0.000 0.865 405 R HN 0.252 nan 8.270 nan 0.000 0.469 406 T N -0.264 114.213 114.554 -0.127 0.000 3.081 406 T HA 0.202 4.540 4.350 -0.021 0.000 0.250 406 T C 1.283 175.922 174.700 -0.102 0.000 1.100 406 T CA 0.570 62.617 62.100 -0.090 0.000 1.038 406 T CB 0.672 69.510 68.868 -0.050 0.000 0.962 406 T HN 0.624 nan 8.240 nan 0.000 0.516 407 G N 0.949 109.656 108.800 -0.155 0.000 2.176 407 G HA2 -0.315 3.633 3.960 -0.021 0.000 0.253 407 G HA3 -0.315 3.633 3.960 -0.021 0.000 0.253 407 G C 1.040 175.907 174.900 -0.055 0.000 0.979 407 G CA 0.323 45.346 45.100 -0.128 0.000 0.641 407 G HN 0.454 nan 8.290 nan 0.000 0.530 408 V N -0.189 119.705 119.914 -0.033 0.000 2.307 408 V HA 0.094 4.201 4.120 -0.021 0.000 0.245 408 V C 1.358 177.471 176.094 0.031 0.000 1.045 408 V CA 2.151 64.451 62.300 0.001 0.000 1.024 408 V CB -0.197 31.629 31.823 0.004 0.000 0.651 408 V HN 0.484 nan 8.190 nan 0.000 0.449 409 D N -1.232 119.205 120.400 0.062 0.000 2.497 409 D HA 0.354 4.981 4.640 -0.021 0.000 0.243 409 D C -0.876 175.559 176.300 0.225 0.000 1.039 409 D CA -0.534 53.534 54.000 0.114 0.000 1.052 409 D CB 1.552 42.417 40.800 0.108 0.000 1.344 409 D HN 0.149 nan 8.370 nan 0.000 0.553 410 N N 0.099 118.932 118.700 0.221 0.000 2.476 410 N HA 0.075 4.803 4.740 -0.021 0.000 0.276 410 N C 0.560 176.192 175.510 0.203 0.000 1.204 410 N CA -0.371 52.858 53.050 0.299 0.000 0.974 410 N CB 0.540 39.135 38.487 0.180 0.000 1.204 410 N HN 0.453 nan 8.380 nan 0.000 0.543 411 Y N 0.275 120.529 120.300 -0.076 0.000 2.352 411 Y HA -0.094 4.443 4.550 -0.021 0.000 0.292 411 Y C 2.108 177.884 175.900 -0.208 0.000 1.136 411 Y CA 0.913 58.747 58.100 -0.444 0.000 1.227 411 Y CB -0.002 38.131 38.460 -0.545 0.000 0.991 411 Y HN 0.495 nan 8.280 nan 0.000 0.545 412 L N -0.308 120.935 121.223 0.033 0.000 2.043 412 L HA -0.242 4.086 4.340 -0.021 0.000 0.212 412 L C 2.137 178.982 176.870 -0.042 0.000 1.075 412 L CA 2.607 57.458 54.840 0.019 0.000 0.752 412 L CB -1.120 40.969 42.059 0.050 0.000 0.891 412 L HN 0.197 nan 8.230 nan 0.000 0.432 413 T N -0.324 114.209 114.554 -0.036 0.000 2.777 413 T HA -0.166 4.172 4.350 -0.021 0.000 0.266 413 T C 1.781 176.402 174.700 -0.132 0.000 1.040 413 T CA 1.463 63.560 62.100 -0.003 0.000 1.141 413 T CB -0.441 68.467 68.868 0.067 0.000 0.868 413 T HN 0.315 nan 8.240 nan 0.000 0.444 414 L N 1.111 122.160 121.223 -0.290 0.000 2.017 414 L HA 0.041 4.369 4.340 -0.021 0.000 0.208 414 L C 2.185 178.807 176.870 -0.413 0.000 1.073 414 L CA 1.495 56.073 54.840 -0.436 0.000 0.745 414 L CB -1.068 40.535 42.059 -0.758 0.000 0.894 414 L HN 0.133 nan 8.230 nan 0.000 0.432 415 L N -0.023 120.929 121.223 -0.452 0.000 2.042 415 L HA -0.265 4.062 4.340 -0.021 0.000 0.210 415 L C 2.230 179.019 176.870 -0.134 0.000 1.076 415 L CA 2.363 57.062 54.840 -0.234 0.000 0.749 415 L CB -0.880 41.145 42.059 -0.057 0.000 0.893 415 L HN 0.582 nan 8.230 nan 0.000 0.432 416 D N -1.248 119.095 120.400 -0.094 0.000 2.144 416 D HA -0.140 4.488 4.640 -0.021 0.000 0.200 416 D C 2.108 178.357 176.300 -0.085 0.000 0.978 416 D CA 1.136 55.122 54.000 -0.023 0.000 0.833 416 D CB 0.022 40.863 40.800 0.068 0.000 0.961 416 D HN 0.387 nan 8.370 nan 0.000 0.470 417 A N -0.082 122.549 122.820 -0.315 0.000 1.933 417 A HA -0.199 4.109 4.320 -0.021 0.000 0.218 417 A C 2.172 179.635 177.584 -0.200 0.000 1.175 417 A CA 1.463 53.129 52.037 -0.618 0.000 0.628 417 A CB -0.598 17.849 19.000 -0.921 0.000 0.814 417 A HN 0.342 nan 8.150 nan 0.000 0.444 418 Q N -0.710 119.027 119.800 -0.105 0.000 2.046 418 Q HA -0.135 4.193 4.340 -0.021 0.000 0.200 418 Q C 2.381 178.424 176.000 0.072 0.000 0.975 418 Q CA 1.460 57.236 55.803 -0.044 0.000 0.836 418 Q CB -0.149 28.515 28.738 -0.124 0.000 0.896 418 Q HN 0.636 nan 8.270 nan 0.000 0.428 419 R N -0.021 120.509 120.500 0.051 0.000 2.073 419 R HA -0.090 4.237 4.340 -0.021 0.000 0.234 419 R C 2.547 178.918 176.300 0.117 0.000 1.134 419 R CA 1.529 57.699 56.100 0.117 0.000 0.952 419 R CB -0.292 30.049 30.300 0.068 0.000 0.850 419 R HN 0.075 nan 8.270 nan 0.000 0.433 420 S N 1.151 116.901 115.700 0.083 0.000 2.359 420 S HA -0.142 4.316 4.470 -0.021 0.000 0.224 420 S C 1.828 176.487 174.600 0.098 0.000 1.035 420 S CA 1.182 59.443 58.200 0.102 0.000 1.018 420 S CB -0.272 63.026 63.200 0.163 0.000 0.876 420 S HN 0.161 nan 8.310 nan 0.000 0.448 421 L N 0.713 121.987 121.223 0.085 0.000 2.027 421 L HA 0.016 4.344 4.340 -0.021 0.000 0.206 421 L C 1.956 178.908 176.870 0.136 0.000 1.074 421 L CA 1.708 56.596 54.840 0.079 0.000 0.745 421 L CB -0.812 41.250 42.059 0.006 0.000 0.898 421 L HN 0.267 nan 8.230 nan 0.000 0.433 422 F N 0.121 120.061 119.950 -0.016 0.000 2.134 422 F HA -0.189 4.326 4.527 -0.020 0.000 0.299 422 F C 2.356 178.168 175.800 0.020 0.000 1.097 422 F CA 2.021 60.019 58.000 -0.004 0.000 1.264 422 F CB -1.013 38.011 39.000 0.039 0.000 1.001 422 F HN 0.099 nan 8.300 nan 0.000 0.479 423 T N 0.701 115.236 114.554 -0.032 0.000 2.708 423 T HA -0.143 4.195 4.350 -0.021 0.000 0.266 423 T C 2.260 176.919 174.700 -0.069 0.000 1.037 423 T CA 1.548 63.577 62.100 -0.118 0.000 1.146 423 T CB -0.901 67.947 68.868 -0.033 0.000 0.865 423 T HN 0.325 nan 8.240 nan 0.000 0.435 424 A N 1.412 124.232 122.820 -0.001 0.000 1.892 424 A HA -0.263 4.045 4.320 -0.021 0.000 0.218 424 A C 2.265 179.848 177.584 -0.002 0.000 1.188 424 A CA 2.033 54.078 52.037 0.013 0.000 0.631 424 A CB -0.796 18.232 19.000 0.046 0.000 0.822 424 A HN 0.580 nan 8.150 nan 0.000 0.447 425 Q N -0.980 118.822 119.800 0.004 0.000 2.119 425 Q HA -0.190 4.138 4.340 -0.021 0.000 0.201 425 Q C 2.365 178.336 176.000 -0.048 0.000 0.972 425 Q CA 1.571 57.375 55.803 0.001 0.000 0.847 425 Q CB -0.173 28.597 28.738 0.054 0.000 0.903 425 Q HN 0.783 nan 8.270 nan 0.000 0.433 426 Q N 0.101 119.831 119.800 -0.117 0.000 2.084 426 Q HA -0.235 4.092 4.340 -0.021 0.000 0.202 426 Q C 2.077 178.026 176.000 -0.085 0.000 0.978 426 Q CA 1.265 56.981 55.803 -0.145 0.000 0.844 426 Q CB -0.051 28.538 28.738 -0.249 0.000 0.898 426 Q HN 0.206 nan 8.270 nan 0.000 0.426 427 Q N 0.778 120.540 119.800 -0.064 0.000 2.167 427 Q HA -0.134 4.194 4.340 -0.021 0.000 0.202 427 Q C 1.786 177.778 176.000 -0.015 0.000 0.970 427 Q CA 0.875 56.661 55.803 -0.029 0.000 0.855 427 Q CB -0.179 28.550 28.738 -0.015 0.000 0.911 427 Q HN 0.315 nan 8.270 nan 0.000 0.438 428 L N -0.284 120.929 121.223 -0.018 0.000 2.046 428 L HA -0.068 4.260 4.340 -0.021 0.000 0.208 428 L C 1.901 178.752 176.870 -0.032 0.000 1.077 428 L CA 1.585 56.418 54.840 -0.012 0.000 0.747 428 L CB -0.449 41.606 42.059 -0.007 0.000 0.896 428 L HN 0.334 nan 8.230 nan 0.000 0.432 429 I N -1.028 119.511 120.570 -0.053 0.000 2.142 429 I HA -0.328 3.830 4.170 -0.021 0.000 0.240 429 I C 2.238 178.310 176.117 -0.075 0.000 1.078 429 I CA 1.816 63.071 61.300 -0.076 0.000 1.343 429 I CB -0.817 37.118 38.000 -0.108 0.000 1.046 429 I HN 0.261 nan 8.210 nan 0.000 0.405 430 T N 0.223 114.742 114.554 -0.059 0.000 2.684 430 T HA -0.201 4.137 4.350 -0.021 0.000 0.267 430 T C 1.501 176.178 174.700 -0.038 0.000 1.036 430 T CA 1.723 63.798 62.100 -0.041 0.000 1.148 430 T CB -0.365 68.494 68.868 -0.015 0.000 0.863 430 T HN 0.337 nan 8.240 nan 0.000 0.436 431 D N 0.487 120.880 120.400 -0.012 0.000 2.144 431 D HA -0.054 4.574 4.640 -0.021 0.000 0.200 431 D C 2.355 178.578 176.300 -0.127 0.000 0.978 431 D CA 0.800 54.808 54.000 0.013 0.000 0.833 431 D CB -0.253 40.606 40.800 0.098 0.000 0.961 431 D HN 0.120 nan 8.370 nan 0.000 0.470 432 R N 0.976 121.413 120.500 -0.104 0.000 2.081 432 R HA -0.089 4.238 4.340 -0.021 0.000 0.235 432 R C 2.137 178.331 176.300 -0.177 0.000 1.131 432 R CA 0.720 56.737 56.100 -0.137 0.000 0.960 432 R CB -1.006 29.240 30.300 -0.089 0.000 0.856 432 R HN 0.181 nan 8.270 nan 0.000 0.436 433 L N 0.824 121.961 121.223 -0.143 0.000 2.046 433 L HA -0.119 4.209 4.340 -0.021 0.000 0.208 433 L C 1.360 178.128 176.870 -0.169 0.000 1.077 433 L CA 1.943 56.706 54.840 -0.128 0.000 0.747 433 L CB -0.732 41.272 42.059 -0.092 0.000 0.896 433 L HN 0.211 nan 8.230 nan 0.000 0.432 434 N N -0.601 117.964 118.700 -0.225 0.000 2.216 434 N HA -0.203 4.524 4.740 -0.021 0.000 0.183 434 N C 1.751 176.874 175.510 -0.644 0.000 1.017 434 N CA 1.280 54.159 53.050 -0.286 0.000 0.861 434 N CB -0.302 38.112 38.487 -0.122 0.000 0.986 434 N HN 0.589 nan 8.380 nan 0.000 0.428 435 Q N 0.794 119.962 119.800 -1.053 0.000 2.061 435 Q HA -0.089 4.238 4.340 -0.021 0.000 0.204 435 Q C 1.992 177.747 176.000 -0.408 0.000 0.984 435 Q CA 1.112 56.252 55.803 -1.105 0.000 0.846 435 Q CB -0.043 28.240 28.738 -0.759 0.000 0.902 435 Q HN 0.325 nan 8.270 nan 0.000 0.421 436 L N -0.100 120.967 121.223 -0.260 0.000 2.056 436 L HA -0.150 4.178 4.340 -0.021 0.000 0.207 436 L C 2.555 179.410 176.870 -0.025 0.000 1.078 436 L CA 1.495 56.273 54.840 -0.103 0.000 0.749 436 L CB -0.614 41.401 42.059 -0.072 0.000 0.901 436 L HN 0.247 nan 8.230 nan 0.000 0.433 437 T N -0.755 113.771 114.554 -0.047 0.000 2.665 437 T HA -0.203 4.134 4.350 -0.021 0.000 0.268 437 T C 2.133 176.860 174.700 0.045 0.000 1.035 437 T CA 1.821 63.932 62.100 0.017 0.000 1.151 437 T CB -0.231 68.634 68.868 -0.005 0.000 0.862 437 T HN 0.283 nan 8.240 nan 0.000 0.438 438 S N 1.092 116.794 115.700 0.004 0.000 2.370 438 S HA -0.130 4.328 4.470 -0.021 0.000 0.226 438 S C 2.126 176.774 174.600 0.081 0.000 1.033 438 S CA 0.937 59.171 58.200 0.056 0.000 1.011 438 S CB -0.304 62.953 63.200 0.096 0.000 0.852 438 S HN 0.472 nan 8.310 nan 0.000 0.457 439 E N 0.898 121.146 120.200 0.081 0.000 2.077 439 E HA -0.073 4.265 4.350 -0.021 0.000 0.193 439 E C 2.341 179.091 176.600 0.249 0.000 0.989 439 E CA 0.761 57.247 56.400 0.143 0.000 0.800 439 E CB -0.626 29.145 29.700 0.119 0.000 0.746 439 E HN 0.351 nan 8.360 nan 0.000 0.452 440 V N 2.069 122.145 119.914 0.271 0.000 2.287 440 V HA -0.298 3.810 4.120 -0.021 0.000 0.248 440 V C 1.815 178.062 176.094 0.255 0.000 1.053 440 V CA 2.173 64.696 62.300 0.371 0.000 1.027 440 V CB -0.732 31.311 31.823 0.367 0.000 0.646 440 V HN 0.285 nan 8.190 nan 0.000 0.447 441 N N -0.163 118.633 118.700 0.161 0.000 2.331 441 N HA -0.125 4.603 4.740 -0.021 0.000 0.180 441 N C 1.672 177.219 175.510 0.061 0.000 1.019 441 N CA 0.815 53.925 53.050 0.100 0.000 0.881 441 N CB -0.143 38.389 38.487 0.074 0.000 0.972 441 N HN 0.355 nan 8.380 nan 0.000 0.435 442 L N 0.314 121.577 121.223 0.066 0.000 2.027 442 L HA -0.145 4.182 4.340 -0.021 0.000 0.206 442 L C 1.993 178.865 176.870 0.002 0.000 1.074 442 L CA 1.592 56.444 54.840 0.019 0.000 0.745 442 L CB -1.030 41.044 42.059 0.024 0.000 0.898 442 L HN 0.161 nan 8.230 nan 0.000 0.433 443 Y N 0.942 121.141 120.300 -0.168 0.000 2.114 443 Y HA -0.334 4.204 4.550 -0.020 0.000 0.282 443 Y C 2.718 178.498 175.900 -0.200 0.000 1.165 443 Y CA 2.572 60.469 58.100 -0.338 0.000 1.148 443 Y CB -0.404 37.565 38.460 -0.817 0.000 0.972 443 Y HN 0.339 nan 8.280 nan 0.000 0.504 444 K N -0.088 120.223 120.400 -0.148 0.000 2.057 444 K HA -0.146 4.162 4.320 -0.021 0.000 0.207 444 K C 2.178 178.701 176.600 -0.129 0.000 1.049 444 K CA 1.209 57.401 56.287 -0.159 0.000 0.931 444 K CB -0.387 32.102 32.500 -0.018 0.000 0.714 444 K HN 0.370 nan 8.250 nan 0.000 0.440 445 A N 1.093 123.864 122.820 -0.081 0.000 2.015 445 A HA -0.059 4.249 4.320 -0.021 0.000 0.219 445 A C 2.016 179.557 177.584 -0.072 0.000 1.163 445 A CA 0.978 52.978 52.037 -0.061 0.000 0.646 445 A CB -0.329 18.643 19.000 -0.045 0.000 0.806 445 A HN 0.322 nan 8.150 nan 0.000 0.448 446 L N -2.188 118.972 121.223 -0.104 0.000 2.341 446 L HA 0.174 4.502 4.340 -0.021 0.000 0.214 446 L C 1.805 178.614 176.870 -0.102 0.000 1.115 446 L CA 0.913 55.703 54.840 -0.083 0.000 0.820 446 L CB 0.127 42.139 42.059 -0.079 0.000 0.944 446 L HN 0.561 nan 8.230 nan 0.000 0.452 447 G N -2.076 106.621 108.800 -0.171 0.000 3.658 447 G HA2 0.222 4.170 3.960 -0.021 0.000 0.220 447 G HA3 0.222 4.170 3.960 -0.021 0.000 0.220 447 G C 0.541 175.306 174.900 -0.226 0.000 0.917 447 G CA -0.222 44.787 45.100 -0.152 0.000 0.865 447 G HN 0.565 nan 8.290 nan 0.000 0.652 448 G N -0.694 107.825 108.800 -0.468 0.000 2.584 448 G HA2 0.388 4.336 3.960 -0.021 0.000 0.229 448 G HA3 0.388 4.336 3.960 -0.021 0.000 0.229 448 G C 0.577 175.099 174.900 -0.631 0.000 1.320 448 G CA 0.593 45.351 45.100 -0.570 0.000 0.891 448 G HN 1.801 nan 8.290 nan 0.000 0.573 449 G N -0.753 107.964 108.800 -0.138 0.000 4.649 449 G HA2 0.434 4.381 3.960 -0.021 0.000 0.312 449 G HA3 0.434 4.381 3.960 -0.021 0.000 0.312 449 G C 0.691 175.827 174.900 0.392 0.000 1.403 449 G CA 0.828 46.094 45.100 0.277 0.000 1.248 449 G HN 0.838 nan 8.290 nan 0.000 0.581 450 W N 1.741 123.119 121.300 0.131 0.000 2.443 450 W HA 0.057 4.705 4.660 -0.020 0.000 0.296 450 W C -0.482 176.172 176.519 0.226 0.000 1.202 450 W CA 0.217 57.647 57.345 0.142 0.000 1.312 450 W CB 0.286 29.777 29.460 0.052 0.000 1.120 450 W HN 0.171 nan 8.180 nan 0.000 0.536 451 N N 1.896 120.653 118.700 0.095 0.000 2.514 451 N HA -0.027 4.701 4.740 -0.021 0.000 0.277 451 N C 0.859 176.326 175.510 -0.072 0.000 1.126 451 N CA 0.165 53.172 53.050 -0.072 0.000 0.978 451 N CB 1.517 40.014 38.487 0.016 0.000 1.106 451 N HN 0.264 nan 8.380 nan 0.000 0.461 452 Q N 1.181 120.820 119.800 -0.267 0.000 2.008 452 Q HA -0.053 4.275 4.340 -0.021 0.000 0.196 452 Q C -0.230 175.406 176.000 -0.607 0.000 0.973 452 Q CA 0.986 56.358 55.803 -0.718 0.000 0.826 452 Q CB 0.347 28.799 28.738 -0.476 0.000 0.894 452 Q HN 0.522 nan 8.270 nan 0.000 0.439 453 Q N 0.711 120.316 119.800 -0.325 0.000 2.193 453 Q HA 0.273 4.601 4.340 -0.021 0.000 0.246 453 Q C -0.700 175.231 176.000 -0.115 0.000 0.959 453 Q CA -0.183 55.493 55.803 -0.212 0.000 0.904 453 Q CB 1.390 30.034 28.738 -0.157 0.000 1.238 453 Q HN 0.121 nan 8.270 nan 0.000 0.469 454 T N 0.745 115.257 114.554 -0.070 0.000 2.916 454 T HA 0.298 4.636 4.350 -0.021 0.000 0.303 454 T C 0.463 175.157 174.700 -0.011 0.000 1.025 454 T CA -0.259 61.830 62.100 -0.018 0.000 1.142 454 T CB 0.436 69.301 68.868 -0.006 0.000 0.947 454 T HN 0.215 nan 8.240 nan 0.000 0.544 455 V N 0.000 119.922 119.914 0.013 0.000 2.409 455 V HA 0.000 4.108 4.120 -0.021 0.000 0.244 455 V CA 0.000 62.311 62.300 0.019 0.000 1.235 455 V CB 0.000 31.847 31.823 0.039 0.000 1.184 455 V HN 0.000 nan 8.190 nan 0.000 0.556