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 2wap_1_B DATA FIRST_RESID 31 DATA SEQUENCE WTGRQKARGA ATRARQKQRA SLETMDKAVQ RFRLQNPDLD SEALLTLPLL DATA SEQUENCE QLVQKLQSGE LSPEAVFFTY LGKAWEVNKG TNCVTSYLTD CETQLSQAPR DATA SEQUENCE QGLLYGVPVS LKECFSYKGH DSTLGLSLNE GMPSESDCVV VQVLKLQGAV DATA SEQUENCE PFVHTNVPQS MFSYDCSNPL FGQTMNPWKS SKSPGGSSGG EGALIGSGGS DATA SEQUENCE PLGLGTDIGG SIRFPSAFCG ICGLKPTGNR LSKSGLKGCV YGQTAVQLSL DATA SEQUENCE GPMARDVESL ALCLKALLCE HLFTLDPTVP PLPFREEVYR SSRPLRVGYY DATA SEQUENCE ETDNYTMPSP AMRRALIETK QRLEAAGHTL IPFLPNNIPY ALEVLSTGGL DATA SEQUENCE FSDGGRSFLQ NFKGDFVDPC LGDLILILRL PSWFKRLLSL LLKPLFPRLA DATA SEQUENCE AFLNNMRPRS AEKLWKLQHE IEMYRQSVIA QWKAMNLDVL LTPMLGPALD DATA SEQUENCE LNTPGRATGA VSYTMLYNCL DFPAGVVPVT TVTAEDDAQM ELYKGYFGDI DATA SEQUENCE WDIILKKAMK NSVGLPVAVQ CVALPWQEEL CLRFMREVEQ LMT 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 31 W HA 0.000 nan 4.660 nan 0.000 0.303 31 W C 0.000 176.485 176.519 -0.056 0.000 1.175 31 W CA 0.000 57.317 57.345 -0.047 0.000 1.226 31 W CB 0.000 29.435 29.460 -0.042 0.000 1.126 32 T N -2.768 111.844 114.554 0.096 0.000 3.043 32 T HA 0.324 4.672 4.350 -0.004 0.000 0.272 32 T C 0.885 175.585 174.700 -0.001 0.000 0.990 32 T CA 0.174 62.301 62.100 0.045 0.000 0.897 32 T CB 0.689 69.574 68.868 0.028 0.000 1.111 32 T HN 0.164 nan 8.240 nan 0.000 0.529 33 G N 1.028 109.820 108.800 -0.014 0.000 2.403 33 G HA2 0.477 4.435 3.960 -0.004 0.000 0.259 33 G HA3 0.477 4.435 3.960 -0.004 0.000 0.259 33 G C 0.217 175.076 174.900 -0.069 0.000 1.244 33 G CA -0.681 44.394 45.100 -0.041 0.000 0.849 33 G HN 0.108 nan 8.290 nan 0.000 0.532 34 R N 0.316 120.747 120.500 -0.115 0.000 2.543 34 R HA 0.148 4.486 4.340 -0.004 0.000 0.323 34 R C 2.114 178.338 176.300 -0.127 0.000 1.002 34 R CA -0.202 55.745 56.100 -0.256 0.000 1.106 34 R CB 0.436 30.473 30.300 -0.438 0.000 1.280 34 R HN 0.487 nan 8.270 nan 0.000 0.549 35 Q N 0.181 119.950 119.800 -0.051 0.000 2.079 35 Q HA -0.091 4.246 4.340 -0.004 0.000 0.200 35 Q C 1.226 177.220 176.000 -0.010 0.000 0.974 35 Q CA 1.363 57.159 55.803 -0.012 0.000 0.840 35 Q CB -0.073 28.659 28.738 -0.010 0.000 0.898 35 Q HN 0.041 nan 8.270 nan 0.000 0.430 36 K N 1.207 121.597 120.400 -0.018 0.000 2.026 36 K HA -0.032 4.286 4.320 -0.004 0.000 0.208 36 K C 2.080 178.670 176.600 -0.017 0.000 1.048 36 K CA 1.414 57.697 56.287 -0.006 0.000 0.929 36 K CB -0.627 31.884 32.500 0.019 0.000 0.713 36 K HN 0.241 nan 8.250 nan 0.000 0.439 37 A N 0.913 123.697 122.820 -0.060 0.000 1.908 37 A HA -0.208 4.110 4.320 -0.004 0.000 0.218 37 A C 2.096 179.723 177.584 0.072 0.000 1.181 37 A CA 1.670 53.673 52.037 -0.056 0.000 0.627 37 A CB -0.418 18.415 19.000 -0.278 0.000 0.818 37 A HN 0.199 nan 8.150 nan 0.000 0.445 38 R N -1.083 119.480 120.500 0.105 0.000 2.081 38 R HA -0.099 4.239 4.340 -0.004 0.000 0.235 38 R C 2.449 178.784 176.300 0.058 0.000 1.131 38 R CA 1.137 57.324 56.100 0.144 0.000 0.960 38 R CB -0.635 29.747 30.300 0.137 0.000 0.856 38 R HN 0.547 nan 8.270 nan 0.000 0.436 39 G N 0.490 109.308 108.800 0.030 0.000 2.459 39 G HA2 -0.308 3.649 3.960 -0.004 0.000 0.217 39 G HA3 -0.308 3.649 3.960 -0.004 0.000 0.217 39 G C 1.520 176.417 174.900 -0.005 0.000 1.183 39 G CA 0.918 46.024 45.100 0.011 0.000 0.776 39 G HN 0.434 nan 8.290 nan 0.000 0.552 40 A N 1.163 123.976 122.820 -0.012 0.000 1.908 40 A HA 0.187 4.505 4.320 -0.004 0.000 0.218 40 A C 2.833 180.368 177.584 -0.083 0.000 1.181 40 A CA 2.488 54.502 52.037 -0.039 0.000 0.627 40 A CB -0.849 18.126 19.000 -0.041 0.000 0.818 40 A HN 0.877 nan 8.150 nan 0.000 0.445 41 A N -0.980 121.805 122.820 -0.058 0.000 1.902 41 A HA -0.089 4.229 4.320 -0.004 0.000 0.217 41 A C 2.322 179.846 177.584 -0.100 0.000 1.181 41 A CA 2.342 54.319 52.037 -0.100 0.000 0.623 41 A CB -1.280 17.706 19.000 -0.023 0.000 0.818 41 A HN 0.456 nan 8.150 nan 0.000 0.443 42 T N -0.817 113.711 114.554 -0.045 0.000 2.737 42 T HA -0.131 4.217 4.350 -0.004 0.000 0.265 42 T C 2.097 176.779 174.700 -0.030 0.000 1.038 42 T CA 1.463 63.545 62.100 -0.029 0.000 1.144 42 T CB -0.211 68.653 68.868 -0.006 0.000 0.866 42 T HN 0.490 nan 8.240 nan 0.000 0.434 43 R N 0.690 121.171 120.500 -0.031 0.000 2.073 43 R HA -0.031 4.306 4.340 -0.004 0.000 0.234 43 R C 2.716 179.005 176.300 -0.019 0.000 1.134 43 R CA 1.376 57.467 56.100 -0.015 0.000 0.952 43 R CB -0.459 29.835 30.300 -0.010 0.000 0.850 43 R HN 0.394 nan 8.270 nan 0.000 0.433 44 A N 1.055 123.815 122.820 -0.100 0.000 1.902 44 A HA -0.162 4.156 4.320 -0.004 0.000 0.217 44 A C 2.055 179.600 177.584 -0.066 0.000 1.181 44 A CA 1.220 53.149 52.037 -0.181 0.000 0.623 44 A CB -0.393 18.193 19.000 -0.691 0.000 0.818 44 A HN 0.242 nan 8.150 nan 0.000 0.443 45 R N 0.126 120.567 120.500 -0.098 0.000 2.081 45 R HA -0.186 4.152 4.340 -0.004 0.000 0.235 45 R C 2.483 178.828 176.300 0.075 0.000 1.131 45 R CA 1.641 57.749 56.100 0.015 0.000 0.960 45 R CB -0.702 29.590 30.300 -0.014 0.000 0.856 45 R HN 0.950 nan 8.270 nan 0.000 0.436 46 Q N 1.050 120.881 119.800 0.051 0.000 2.119 46 Q HA -0.118 4.220 4.340 -0.004 0.000 0.201 46 Q C 1.654 177.712 176.000 0.097 0.000 0.972 46 Q CA 1.208 57.051 55.803 0.065 0.000 0.847 46 Q CB -0.262 28.503 28.738 0.045 0.000 0.903 46 Q HN 0.264 nan 8.270 nan 0.000 0.433 47 K N 1.080 121.550 120.400 0.117 0.000 2.026 47 K HA -0.226 4.091 4.320 -0.004 0.000 0.208 47 K C 2.368 179.086 176.600 0.198 0.000 1.048 47 K CA 2.007 58.386 56.287 0.154 0.000 0.929 47 K CB -0.127 32.480 32.500 0.178 0.000 0.713 47 K HN 0.506 nan 8.250 nan 0.000 0.439 48 Q N 1.027 120.983 119.800 0.261 0.000 2.123 48 Q HA -0.148 4.190 4.340 -0.004 0.000 0.199 48 Q C 2.156 178.255 176.000 0.165 0.000 0.966 48 Q CA 1.193 57.140 55.803 0.240 0.000 0.845 48 Q CB -0.165 28.780 28.738 0.344 0.000 0.907 48 Q HN 0.140 nan 8.270 nan 0.000 0.439 49 R N 0.299 120.885 120.500 0.144 0.000 2.081 49 R HA -0.120 4.217 4.340 -0.004 0.000 0.235 49 R C 2.197 178.572 176.300 0.125 0.000 1.131 49 R CA 1.437 57.606 56.100 0.116 0.000 0.960 49 R CB -0.475 29.880 30.300 0.091 0.000 0.856 49 R HN 0.413 nan 8.270 nan 0.000 0.436 50 A N 0.147 123.041 122.820 0.124 0.000 1.898 50 A HA -0.115 4.202 4.320 -0.004 0.000 0.216 50 A C 2.224 179.896 177.584 0.147 0.000 1.181 50 A CA 1.785 53.895 52.037 0.122 0.000 0.620 50 A CB -0.584 18.482 19.000 0.110 0.000 0.819 50 A HN 0.421 nan 8.150 nan 0.000 0.442 51 S N -0.244 115.559 115.700 0.173 0.000 2.353 51 S HA -0.154 4.314 4.470 -0.004 0.000 0.222 51 S C 1.821 176.517 174.600 0.160 0.000 1.035 51 S CA 1.618 59.948 58.200 0.216 0.000 1.025 51 S CB -0.402 62.935 63.200 0.228 0.000 0.902 51 S HN 0.360 nan 8.310 nan 0.000 0.440 52 L N 1.934 123.257 121.223 0.167 0.000 2.046 52 L HA -0.039 4.299 4.340 -0.004 0.000 0.208 52 L C 2.485 179.521 176.870 0.277 0.000 1.077 52 L CA 1.587 56.572 54.840 0.242 0.000 0.747 52 L CB -1.256 40.926 42.059 0.204 0.000 0.896 52 L HN 0.201 nan 8.230 nan 0.000 0.432 53 E N -0.550 119.764 120.200 0.191 0.000 2.049 53 E HA -0.206 4.142 4.350 -0.004 0.000 0.198 53 E C 2.072 178.690 176.600 0.030 0.000 1.007 53 E CA 1.977 58.447 56.400 0.117 0.000 0.809 53 E CB -0.502 29.257 29.700 0.098 0.000 0.749 53 E HN 0.454 nan 8.360 nan 0.000 0.450 54 T N 2.257 116.842 114.554 0.052 0.000 2.665 54 T HA -0.200 4.148 4.350 -0.004 0.000 0.268 54 T C 2.036 176.673 174.700 -0.105 0.000 1.035 54 T CA 2.251 64.374 62.100 0.039 0.000 1.151 54 T CB -0.300 68.670 68.868 0.169 0.000 0.862 54 T HN 0.310 nan 8.240 nan 0.000 0.438 55 M N 0.991 120.429 119.600 -0.270 0.000 2.229 55 M HA 0.022 4.500 4.480 -0.004 0.000 0.264 55 M C 1.988 178.074 176.300 -0.356 0.000 1.063 55 M CA 1.627 56.653 55.300 -0.457 0.000 1.114 55 M CB -0.685 31.582 32.600 -0.555 0.000 1.387 55 M HN -0.001 nan 8.290 nan 0.000 0.420 56 D N 1.531 121.668 120.400 -0.439 0.000 2.097 56 D HA -0.126 4.512 4.640 -0.004 0.000 0.195 56 D C 2.042 178.097 176.300 -0.407 0.000 0.989 56 D CA 1.347 54.902 54.000 -0.741 0.000 0.827 56 D CB 0.089 40.484 40.800 -0.674 0.000 0.966 56 D HN 0.171 nan 8.370 nan 0.000 0.456 57 K N 0.361 120.628 120.400 -0.223 0.000 2.063 57 K HA -0.081 4.237 4.320 -0.004 0.000 0.208 57 K C 2.144 178.673 176.600 -0.117 0.000 1.048 57 K CA 1.101 57.308 56.287 -0.134 0.000 0.928 57 K CB -0.588 31.877 32.500 -0.059 0.000 0.713 57 K HN 0.179 nan 8.250 nan 0.000 0.442 58 A N 1.612 124.383 122.820 -0.081 0.000 1.877 58 A HA -0.150 4.168 4.320 -0.004 0.000 0.216 58 A C 2.461 179.967 177.584 -0.129 0.000 1.186 58 A CA 2.194 54.206 52.037 -0.042 0.000 0.620 58 A CB -0.885 18.233 19.000 0.197 0.000 0.822 58 A HN 0.200 nan 8.150 nan 0.000 0.443 59 V N -2.695 117.160 119.914 -0.100 0.000 2.515 59 V HA -0.222 3.896 4.120 -0.004 0.000 0.250 59 V C 2.247 178.299 176.094 -0.070 0.000 1.058 59 V CA 2.406 64.669 62.300 -0.060 0.000 1.064 59 V CB -1.036 30.723 31.823 -0.107 0.000 0.675 59 V HN 0.425 nan 8.190 nan 0.000 0.461 60 Q N 0.605 120.316 119.800 -0.148 0.000 2.046 60 Q HA -0.065 4.273 4.340 -0.004 0.000 0.200 60 Q C 2.483 178.419 176.000 -0.106 0.000 0.975 60 Q CA 2.245 57.971 55.803 -0.129 0.000 0.836 60 Q CB -0.509 28.138 28.738 -0.152 0.000 0.896 60 Q HN 0.673 nan 8.270 nan 0.000 0.428 61 R N -0.985 119.445 120.500 -0.116 0.000 2.103 61 R HA -0.185 4.152 4.340 -0.004 0.000 0.242 61 R C 2.007 178.217 176.300 -0.150 0.000 1.142 61 R CA 1.628 57.653 56.100 -0.124 0.000 0.960 61 R CB -0.395 29.830 30.300 -0.124 0.000 0.858 61 R HN 0.301 nan 8.270 nan 0.000 0.439 62 F N 0.743 120.500 119.950 -0.322 0.000 2.098 62 F HA -0.085 4.439 4.527 -0.004 0.000 0.294 62 F C 2.199 177.900 175.800 -0.165 0.000 1.107 62 F CA 1.459 59.264 58.000 -0.325 0.000 1.234 62 F CB -0.150 38.562 39.000 -0.481 0.000 1.002 62 F HN -0.138 nan 8.300 nan 0.000 0.472 63 R N -0.106 120.364 120.500 -0.052 0.000 2.117 63 R HA -0.195 4.143 4.340 -0.004 0.000 0.243 63 R C 2.074 178.267 176.300 -0.179 0.000 1.143 63 R CA 1.596 57.639 56.100 -0.096 0.000 0.968 63 R CB -0.687 29.609 30.300 -0.007 0.000 0.863 63 R HN 0.303 nan 8.270 nan 0.000 0.444 64 L N 0.446 121.570 121.223 -0.166 0.000 2.012 64 L HA -0.211 4.127 4.340 -0.004 0.000 0.210 64 L C 2.283 179.037 176.870 -0.195 0.000 1.073 64 L CA 1.738 56.487 54.840 -0.151 0.000 0.748 64 L CB -0.431 41.556 42.059 -0.122 0.000 0.891 64 L HN 0.035 nan 8.230 nan 0.000 0.431 65 Q N -0.434 119.200 119.800 -0.277 0.000 2.297 65 Q HA 0.019 4.357 4.340 -0.004 0.000 0.204 65 Q C 0.016 175.806 176.000 -0.351 0.000 0.962 65 Q CA 0.837 56.462 55.803 -0.296 0.000 0.879 65 Q CB 0.114 28.656 28.738 -0.326 0.000 0.947 65 Q HN 0.454 nan 8.270 nan 0.000 0.462 66 N N -0.326 118.101 118.700 -0.455 0.000 2.703 66 N HA 0.142 4.879 4.740 -0.004 0.000 0.283 66 N C -2.368 173.011 175.510 -0.220 0.000 1.851 66 N CA -0.734 52.078 53.050 -0.397 0.000 0.826 66 N CB 1.325 39.370 38.487 -0.736 0.000 1.239 66 N HN 0.142 nan 8.380 nan 0.000 0.495 67 P HA 0.009 nan 4.420 nan 0.000 0.222 67 P C 0.309 177.575 177.300 -0.057 0.000 1.153 67 P CA 0.981 64.027 63.100 -0.090 0.000 0.798 67 P CB 0.529 32.181 31.700 -0.080 0.000 0.796 68 D N -0.497 119.869 120.400 -0.057 0.000 2.347 68 D HA 0.010 4.648 4.640 -0.004 0.000 0.213 68 D C 0.757 177.048 176.300 -0.015 0.000 0.985 68 D CA 0.082 54.063 54.000 -0.032 0.000 0.879 68 D CB -0.576 40.206 40.800 -0.031 0.000 0.919 68 D HN 0.087 nan 8.370 nan 0.000 0.526 69 L N 1.579 122.797 121.223 -0.009 0.000 2.513 69 L HA 0.067 4.404 4.340 -0.004 0.000 0.272 69 L C -0.119 176.767 176.870 0.026 0.000 1.187 69 L CA -0.093 54.765 54.840 0.030 0.000 0.895 69 L CB 0.361 42.474 42.059 0.090 0.000 1.147 69 L HN -0.191 nan 8.230 nan 0.000 0.483 70 D N 2.956 123.368 120.400 0.020 0.000 2.435 70 D HA 0.091 4.729 4.640 -0.004 0.000 0.230 70 D C 0.879 177.180 176.300 0.002 0.000 1.215 70 D CA 0.303 54.308 54.000 0.007 0.000 0.947 70 D CB 0.661 41.463 40.800 0.003 0.000 1.048 70 D HN 0.727 nan 8.370 nan 0.000 0.512 71 S N 2.671 118.369 115.700 -0.004 0.000 2.356 71 S HA -0.151 4.317 4.470 -0.004 0.000 0.223 71 S C 1.625 176.184 174.600 -0.068 0.000 1.032 71 S CA 0.591 58.772 58.200 -0.033 0.000 1.005 71 S CB 0.023 63.206 63.200 -0.029 0.000 0.867 71 S HN 0.466 nan 8.310 nan 0.000 0.449 72 E N 1.674 121.844 120.200 -0.051 0.000 2.077 72 E HA -0.026 4.322 4.350 -0.004 0.000 0.193 72 E C 2.244 178.813 176.600 -0.052 0.000 0.989 72 E CA 1.196 57.562 56.400 -0.058 0.000 0.800 72 E CB -0.603 29.073 29.700 -0.040 0.000 0.746 72 E HN 0.424 nan 8.360 nan 0.000 0.452 73 A N 0.989 123.790 122.820 -0.033 0.000 1.908 73 A HA -0.179 4.139 4.320 -0.004 0.000 0.218 73 A C 2.159 179.730 177.584 -0.023 0.000 1.181 73 A CA 1.626 53.651 52.037 -0.020 0.000 0.627 73 A CB -0.581 18.414 19.000 -0.007 0.000 0.818 73 A HN 0.327 nan 8.150 nan 0.000 0.445 74 L N -0.190 121.011 121.223 -0.038 0.000 2.023 74 L HA -0.001 4.336 4.340 -0.004 0.000 0.205 74 L C 2.143 178.957 176.870 -0.093 0.000 1.073 74 L CA 1.722 56.536 54.840 -0.042 0.000 0.745 74 L CB -1.220 40.814 42.059 -0.041 0.000 0.900 74 L HN 0.364 nan 8.230 nan 0.000 0.435 75 L N -0.042 121.061 121.223 -0.200 0.000 2.191 75 L HA -0.168 4.169 4.340 -0.004 0.000 0.212 75 L C 2.193 178.999 176.870 -0.107 0.000 1.103 75 L CA 1.664 56.310 54.840 -0.324 0.000 0.769 75 L CB -0.935 40.915 42.059 -0.348 0.000 0.908 75 L HN 0.548 nan 8.230 nan 0.000 0.438 76 T N -3.368 111.155 114.554 -0.052 0.000 3.081 76 T HA 0.149 4.497 4.350 -0.004 0.000 0.250 76 T C 0.744 175.457 174.700 0.023 0.000 1.100 76 T CA -0.304 61.792 62.100 -0.006 0.000 1.038 76 T CB -0.251 68.609 68.868 -0.013 0.000 0.962 76 T HN 0.036 nan 8.240 nan 0.000 0.516 77 L N 3.009 124.249 121.223 0.029 0.000 2.584 77 L HA 0.204 4.542 4.340 -0.004 0.000 0.272 77 L C -2.004 174.903 176.870 0.062 0.000 1.195 77 L CA -1.674 53.192 54.840 0.045 0.000 0.920 77 L CB 0.132 42.221 42.059 0.051 0.000 1.173 77 L HN 0.094 nan 8.230 nan 0.000 0.489 78 P HA -0.084 nan 4.420 nan 0.000 0.268 78 P C 0.479 177.804 177.300 0.042 0.000 1.208 78 P CA -0.397 62.732 63.100 0.048 0.000 0.777 78 P CB 0.619 32.344 31.700 0.040 0.000 0.875 79 L N 3.167 124.408 121.223 0.029 0.000 2.127 79 L HA -0.144 4.194 4.340 -0.004 0.000 0.211 79 L C 1.897 178.770 176.870 0.005 0.000 1.089 79 L CA 1.700 56.543 54.840 0.004 0.000 0.757 79 L CB -1.352 40.691 42.059 -0.026 0.000 0.899 79 L HN 0.293 nan 8.230 nan 0.000 0.434 80 L N -0.750 120.482 121.223 0.016 0.000 2.046 80 L HA -0.242 4.095 4.340 -0.004 0.000 0.208 80 L C 2.506 179.392 176.870 0.026 0.000 1.077 80 L CA 1.852 56.705 54.840 0.022 0.000 0.747 80 L CB -0.426 41.654 42.059 0.036 0.000 0.896 80 L HN 0.441 nan 8.230 nan 0.000 0.432 81 Q N -1.499 118.319 119.800 0.030 0.000 2.137 81 Q HA -0.144 4.193 4.340 -0.004 0.000 0.198 81 Q C 2.179 178.200 176.000 0.033 0.000 0.960 81 Q CA 1.070 56.893 55.803 0.032 0.000 0.847 81 Q CB -0.212 28.546 28.738 0.033 0.000 0.915 81 Q HN 0.407 nan 8.270 nan 0.000 0.448 82 L N 0.559 121.802 121.223 0.034 0.000 1.989 82 L HA -0.188 4.150 4.340 -0.004 0.000 0.211 82 L C 2.161 179.045 176.870 0.022 0.000 1.071 82 L CA 1.533 56.394 54.840 0.034 0.000 0.749 82 L CB -0.520 41.562 42.059 0.039 0.000 0.890 82 L HN -0.018 nan 8.230 nan 0.000 0.431 83 V N -0.029 119.892 119.914 0.013 0.000 2.343 83 V HA -0.334 3.783 4.120 -0.004 0.000 0.247 83 V C 2.619 178.740 176.094 0.044 0.000 1.051 83 V CA 1.944 64.255 62.300 0.018 0.000 1.036 83 V CB -0.884 30.944 31.823 0.007 0.000 0.654 83 V HN 0.777 nan 8.190 nan 0.000 0.451 84 Q N 0.381 120.205 119.800 0.039 0.000 2.119 84 Q HA -0.182 4.156 4.340 -0.004 0.000 0.201 84 Q C 2.051 178.082 176.000 0.050 0.000 0.972 84 Q CA 1.738 57.567 55.803 0.044 0.000 0.847 84 Q CB -0.353 28.407 28.738 0.036 0.000 0.903 84 Q HN 0.429 nan 8.270 nan 0.000 0.433 85 K N 0.002 120.431 120.400 0.048 0.000 2.103 85 K HA -0.020 4.298 4.320 -0.004 0.000 0.204 85 K C 1.995 178.636 176.600 0.069 0.000 1.052 85 K CA 0.569 56.887 56.287 0.051 0.000 0.945 85 K CB -0.151 32.376 32.500 0.044 0.000 0.722 85 K HN 0.230 nan 8.250 nan 0.000 0.443 86 L N 1.656 122.923 121.223 0.072 0.000 2.012 86 L HA -0.215 4.122 4.340 -0.004 0.000 0.210 86 L C 2.536 179.535 176.870 0.213 0.000 1.073 86 L CA 1.824 56.731 54.840 0.111 0.000 0.748 86 L CB -1.150 40.942 42.059 0.055 0.000 0.891 86 L HN 0.215 nan 8.230 nan 0.000 0.431 87 Q N -0.277 119.622 119.800 0.165 0.000 2.079 87 Q HA -0.135 4.203 4.340 -0.004 0.000 0.200 87 Q C 2.449 178.491 176.000 0.070 0.000 0.974 87 Q CA 2.039 57.917 55.803 0.125 0.000 0.840 87 Q CB -0.215 28.571 28.738 0.078 0.000 0.898 87 Q HN 0.606 nan 8.270 nan 0.000 0.430 88 S N -1.626 114.112 115.700 0.062 0.000 2.419 88 S HA 0.003 4.471 4.470 -0.004 0.000 0.233 88 S C 1.604 176.233 174.600 0.049 0.000 1.016 88 S CA 1.201 59.428 58.200 0.044 0.000 0.974 88 S CB -0.456 62.768 63.200 0.039 0.000 0.786 88 S HN 0.743 nan 8.310 nan 0.000 0.492 89 G N 0.766 109.612 108.800 0.075 0.000 2.176 89 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.232 89 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.232 89 G C 0.539 175.480 174.900 0.068 0.000 0.986 89 G CA 0.569 45.718 45.100 0.081 0.000 0.643 89 G HN 0.568 nan 8.290 nan 0.000 0.522 90 E N -0.462 119.773 120.200 0.059 0.000 2.085 90 E HA 0.042 4.390 4.350 -0.004 0.000 0.194 90 E C 0.904 177.538 176.600 0.057 0.000 0.994 90 E CA 0.701 57.131 56.400 0.050 0.000 0.801 90 E CB -0.058 29.668 29.700 0.043 0.000 0.743 90 E HN 0.586 nan 8.360 nan 0.000 0.453 91 L N 1.296 122.557 121.223 0.063 0.000 2.322 91 L HA 0.256 4.594 4.340 -0.004 0.000 0.281 91 L C 0.043 176.957 176.870 0.074 0.000 1.014 91 L CA -0.936 53.944 54.840 0.066 0.000 0.815 91 L CB 1.821 43.913 42.059 0.054 0.000 1.247 91 L HN 0.021 nan 8.230 nan 0.000 0.421 92 S N 1.964 117.715 115.700 0.086 0.000 2.603 92 S HA 0.365 4.833 4.470 -0.004 0.000 0.268 92 S C -1.999 172.619 174.600 0.030 0.000 1.317 92 S CA -1.102 57.150 58.200 0.086 0.000 1.012 92 S CB 1.265 64.535 63.200 0.117 0.000 0.926 92 S HN 0.391 nan 8.310 nan 0.000 0.539 93 P HA -0.061 nan 4.420 nan 0.000 0.216 93 P C 1.105 178.352 177.300 -0.087 0.000 1.153 93 P CA 1.161 64.166 63.100 -0.158 0.000 0.848 93 P CB -0.041 31.487 31.700 -0.287 0.000 0.787 94 E N 0.078 120.277 120.200 -0.001 0.000 2.086 94 E HA -0.235 4.112 4.350 -0.004 0.000 0.205 94 E C 2.145 178.765 176.600 0.033 0.000 1.027 94 E CA 2.009 58.480 56.400 0.118 0.000 0.830 94 E CB -1.358 28.560 29.700 0.363 0.000 0.751 94 E HN 0.175 nan 8.360 nan 0.000 0.456 95 A N 0.516 123.418 122.820 0.136 0.000 1.858 95 A HA -0.177 4.141 4.320 -0.004 0.000 0.216 95 A C 2.511 180.081 177.584 -0.023 0.000 1.190 95 A CA 1.973 54.103 52.037 0.155 0.000 0.617 95 A CB -1.098 18.042 19.000 0.233 0.000 0.827 95 A HN 0.252 nan 8.150 nan 0.000 0.443 96 V N -1.336 118.575 119.914 -0.005 0.000 2.427 96 V HA -0.172 3.946 4.120 -0.004 0.000 0.248 96 V C 2.109 178.180 176.094 -0.038 0.000 1.051 96 V CA 2.406 64.713 62.300 0.011 0.000 1.048 96 V CB -0.670 31.174 31.823 0.036 0.000 0.666 96 V HN 0.509 nan 8.190 nan 0.000 0.456 97 F N 0.994 120.752 119.950 -0.319 0.000 2.014 97 F HA -0.131 4.394 4.527 -0.004 0.000 0.295 97 F C 1.970 177.450 175.800 -0.533 0.000 1.145 97 F CA 2.628 60.319 58.000 -0.515 0.000 1.178 97 F CB -0.544 38.030 39.000 -0.711 0.000 0.972 97 F HN 0.223 nan 8.300 nan 0.000 0.476 98 F N 0.201 119.942 119.950 -0.348 0.000 2.293 98 F HA -0.170 4.355 4.527 -0.003 0.000 0.300 98 F C 2.383 177.907 175.800 -0.459 0.000 1.086 98 F CA 1.402 59.077 58.000 -0.542 0.000 1.375 98 F CB -0.958 37.489 39.000 -0.922 0.000 1.045 98 F HN -0.023 nan 8.300 nan 0.000 0.516 99 T N -1.045 113.362 114.554 -0.245 0.000 2.701 99 T HA -0.220 4.128 4.350 -0.004 0.000 0.263 99 T C 1.595 176.145 174.700 -0.249 0.000 1.040 99 T CA 1.420 63.416 62.100 -0.174 0.000 1.147 99 T CB -0.607 68.167 68.868 -0.158 0.000 0.865 99 T HN 0.159 nan 8.240 nan 0.000 0.426 100 Y N 1.124 121.245 120.300 -0.298 0.000 2.207 100 Y HA -0.019 4.529 4.550 -0.003 0.000 0.287 100 Y C 2.279 177.991 175.900 -0.314 0.000 1.156 100 Y CA 0.651 58.554 58.100 -0.327 0.000 1.182 100 Y CB -0.438 37.727 38.460 -0.493 0.000 0.979 100 Y HN 0.125 nan 8.280 nan 0.000 0.521 101 L N -1.036 119.979 121.223 -0.347 0.000 2.017 101 L HA -0.210 4.128 4.340 -0.004 0.000 0.208 101 L C 2.523 179.385 176.870 -0.015 0.000 1.073 101 L CA 1.666 56.371 54.840 -0.224 0.000 0.745 101 L CB -1.103 40.692 42.059 -0.440 0.000 0.894 101 L HN 0.395 nan 8.230 nan 0.000 0.432 102 G N -0.035 108.734 108.800 -0.051 0.000 2.553 102 G HA2 -0.402 3.555 3.960 -0.004 0.000 0.218 102 G HA3 -0.402 3.555 3.960 -0.004 0.000 0.218 102 G C 1.581 176.540 174.900 0.098 0.000 1.195 102 G CA 1.288 46.397 45.100 0.015 0.000 0.779 102 G HN 0.220 nan 8.290 nan 0.000 0.577 103 K N 1.079 121.491 120.400 0.020 0.000 2.097 103 K HA 0.161 4.479 4.320 -0.004 0.000 0.206 103 K C 2.714 179.376 176.600 0.103 0.000 1.049 103 K CA 1.486 57.791 56.287 0.029 0.000 0.933 103 K CB -0.716 31.736 32.500 -0.079 0.000 0.717 103 K HN 0.225 nan 8.250 nan 0.000 0.442 104 A N -0.342 122.574 122.820 0.161 0.000 1.877 104 A HA -0.167 4.150 4.320 -0.004 0.000 0.216 104 A C 2.188 179.865 177.584 0.155 0.000 1.186 104 A CA 1.595 53.744 52.037 0.186 0.000 0.620 104 A CB -1.273 17.913 19.000 0.310 0.000 0.822 104 A HN 0.651 nan 8.150 nan 0.000 0.443 105 W N 0.919 122.217 121.300 -0.003 0.000 2.338 105 W HA -0.195 4.463 4.660 -0.004 0.000 0.304 105 W C 2.000 178.507 176.519 -0.020 0.000 1.212 105 W CA 2.113 59.443 57.345 -0.025 0.000 1.264 105 W CB -0.050 29.384 29.460 -0.043 0.000 1.142 105 W HN 0.501 nan 8.180 nan 0.000 0.512 106 E N -0.286 120.039 120.200 0.209 0.000 2.028 106 E HA -0.237 4.111 4.350 -0.004 0.000 0.191 106 E C 2.278 178.817 176.600 -0.101 0.000 0.988 106 E CA 2.255 58.678 56.400 0.039 0.000 0.799 106 E CB -0.736 29.057 29.700 0.154 0.000 0.755 106 E HN 0.275 nan 8.360 nan 0.000 0.447 107 V N 0.408 120.297 119.914 -0.042 0.000 2.594 107 V HA -0.220 3.897 4.120 -0.004 0.000 0.253 107 V C 1.889 177.926 176.094 -0.095 0.000 1.069 107 V CA 2.130 64.394 62.300 -0.061 0.000 1.082 107 V CB -0.722 31.087 31.823 -0.025 0.000 0.680 107 V HN 0.158 nan 8.190 nan 0.000 0.469 108 N N 0.884 119.510 118.700 -0.123 0.000 2.289 108 N HA -0.168 4.570 4.740 -0.004 0.000 0.184 108 N C 1.748 177.135 175.510 -0.205 0.000 1.016 108 N CA 1.664 54.624 53.050 -0.149 0.000 0.872 108 N CB -0.391 37.999 38.487 -0.161 0.000 0.973 108 N HN 0.603 nan 8.380 nan 0.000 0.433 109 K N -0.920 119.299 120.400 -0.301 0.000 2.063 109 K HA -0.050 4.268 4.320 -0.004 0.000 0.208 109 K C 1.848 178.347 176.600 -0.168 0.000 1.048 109 K CA 1.405 57.516 56.287 -0.294 0.000 0.928 109 K CB -0.393 31.888 32.500 -0.365 0.000 0.713 109 K HN 0.315 nan 8.250 nan 0.000 0.442 110 G N -0.469 108.252 108.800 -0.132 0.000 2.623 110 G HA2 -0.137 3.821 3.960 -0.004 0.000 0.214 110 G HA3 -0.137 3.821 3.960 -0.004 0.000 0.214 110 G C 1.251 176.117 174.900 -0.057 0.000 1.138 110 G CA 1.211 46.261 45.100 -0.083 0.000 0.794 110 G HN 0.436 nan 8.290 nan 0.000 0.535 111 T N -3.505 111.013 114.554 -0.059 0.000 2.966 111 T HA 0.138 4.486 4.350 -0.004 0.000 0.254 111 T C 0.852 175.536 174.700 -0.026 0.000 0.961 111 T CA 0.401 62.484 62.100 -0.029 0.000 0.915 111 T CB -0.016 68.843 68.868 -0.016 0.000 1.186 111 T HN 0.189 nan 8.240 nan 0.000 0.505 112 N N 0.896 119.568 118.700 -0.048 0.000 2.714 112 N HA -0.201 4.537 4.740 -0.004 0.000 0.253 112 N C 0.659 176.153 175.510 -0.027 0.000 1.024 112 N CA 0.696 53.726 53.050 -0.035 0.000 0.726 112 N CB -1.776 36.706 38.487 -0.008 0.000 0.908 112 N HN 0.820 nan 8.380 nan 0.000 0.542 113 C N -3.058 116.216 119.300 -0.044 0.000 3.065 113 C HA 0.521 4.979 4.460 -0.004 0.000 0.285 113 C C 0.850 175.788 174.990 -0.087 0.000 1.257 113 C CA -0.445 58.545 59.018 -0.047 0.000 1.691 113 C CB -0.735 26.988 27.740 -0.029 0.000 2.089 113 C HN 0.225 nan 8.230 nan 0.000 0.630 114 V N 3.238 123.093 119.914 -0.098 0.000 2.383 114 V HA 0.362 4.479 4.120 -0.004 0.000 0.275 114 V C 1.473 177.467 176.094 -0.167 0.000 1.036 114 V CA 0.968 63.192 62.300 -0.128 0.000 0.889 114 V CB 1.190 32.956 31.823 -0.095 0.000 0.985 114 V HN 0.658 nan 8.190 nan 0.000 0.459 115 T N 0.244 114.630 114.554 -0.280 0.000 3.040 115 T HA 0.180 4.528 4.350 -0.004 0.000 0.252 115 T C 0.726 175.250 174.700 -0.293 0.000 1.064 115 T CA 0.527 62.281 62.100 -0.577 0.000 1.110 115 T CB 0.446 68.624 68.868 -1.150 0.000 0.921 115 T HN 0.627 nan 8.240 nan 0.000 0.480 116 S N -0.515 115.119 115.700 -0.110 0.000 2.547 116 S HA 0.520 4.987 4.470 -0.004 0.000 0.270 116 S C -2.153 172.475 174.600 0.046 0.000 1.150 116 S CA -1.044 57.186 58.200 0.050 0.000 0.850 116 S CB 1.439 64.736 63.200 0.162 0.000 1.118 116 S HN 0.423 nan 8.310 nan 0.000 0.461 117 Y N 3.948 124.244 120.300 -0.007 0.000 2.328 117 Y HA 0.620 5.168 4.550 -0.003 0.000 0.337 117 Y C -0.705 175.152 175.900 -0.072 0.000 1.008 117 Y CA -0.980 57.095 58.100 -0.042 0.000 1.129 117 Y CB 0.809 39.308 38.460 0.066 0.000 1.185 117 Y HN 0.633 nan 8.280 nan 0.000 0.476 118 L N 6.790 127.629 121.223 -0.641 0.000 2.315 118 L HA 0.165 4.503 4.340 -0.004 0.000 0.283 118 L C 0.529 177.051 176.870 -0.579 0.000 1.089 118 L CA -0.373 53.920 54.840 -0.911 0.000 0.833 118 L CB 0.599 41.874 42.059 -1.305 0.000 1.170 118 L HN 0.760 nan 8.230 nan 0.000 0.442 119 T N 2.577 117.071 114.554 -0.101 0.000 2.830 119 T HA -0.073 4.275 4.350 -0.004 0.000 0.282 119 T C 0.507 175.238 174.700 0.052 0.000 1.024 119 T CA 0.486 62.651 62.100 0.108 0.000 1.144 119 T CB -0.261 68.808 68.868 0.335 0.000 1.035 119 T HN 0.912 nan 8.240 nan 0.000 0.507 120 D N -0.014 120.385 120.400 -0.001 0.000 2.713 120 D HA -0.255 4.383 4.640 -0.004 0.000 0.231 120 D C 1.242 177.521 176.300 -0.036 0.000 1.173 120 D CA 0.841 54.838 54.000 -0.006 0.000 0.628 120 D CB -2.156 38.659 40.800 0.025 0.000 1.033 120 D HN 0.775 nan 8.370 nan 0.000 0.419 121 C N -2.742 116.491 119.300 -0.111 0.000 2.437 121 C HA 0.009 4.467 4.460 -0.004 0.000 0.283 121 C C 2.091 176.919 174.990 -0.270 0.000 1.424 121 C CA 0.470 59.417 59.018 -0.119 0.000 1.782 121 C CB -0.618 27.069 27.740 -0.090 0.000 1.833 121 C HN 0.471 nan 8.230 nan 0.000 0.532 122 E N 1.183 121.242 120.200 -0.235 0.000 2.107 122 E HA -0.094 4.254 4.350 -0.004 0.000 0.191 122 E C 2.243 178.735 176.600 -0.180 0.000 0.982 122 E CA 1.761 57.986 56.400 -0.291 0.000 0.809 122 E CB -0.118 29.567 29.700 -0.025 0.000 0.756 122 E HN 0.751 nan 8.360 nan 0.000 0.459 123 T N 0.842 115.340 114.554 -0.093 0.000 2.904 123 T HA -0.174 4.174 4.350 -0.004 0.000 0.267 123 T C 1.838 176.490 174.700 -0.079 0.000 1.059 123 T CA 1.189 63.254 62.100 -0.059 0.000 1.137 123 T CB -0.098 68.757 68.868 -0.022 0.000 0.879 123 T HN 0.032 nan 8.240 nan 0.000 0.467 124 Q N 1.160 120.901 119.800 -0.099 0.000 2.119 124 Q HA 0.057 4.395 4.340 -0.004 0.000 0.201 124 Q C 2.128 178.040 176.000 -0.147 0.000 0.972 124 Q CA 1.071 56.816 55.803 -0.095 0.000 0.847 124 Q CB -0.855 27.844 28.738 -0.065 0.000 0.903 124 Q HN 0.446 nan 8.270 nan 0.000 0.433 125 L N 0.269 121.331 121.223 -0.268 0.000 1.997 125 L HA -0.254 4.084 4.340 -0.004 0.000 0.216 125 L C 2.052 178.809 176.870 -0.188 0.000 1.074 125 L CA 2.403 57.029 54.840 -0.355 0.000 0.763 125 L CB -0.760 40.924 42.059 -0.625 0.000 0.890 125 L HN 0.522 nan 8.230 nan 0.000 0.434 126 S N -2.288 113.339 115.700 -0.121 0.000 2.562 126 S HA -0.117 4.351 4.470 -0.004 0.000 0.221 126 S C 1.587 176.187 174.600 -0.001 0.000 0.975 126 S CA 0.290 58.468 58.200 -0.036 0.000 0.918 126 S CB 0.347 63.536 63.200 -0.019 0.000 0.772 126 S HN 0.403 nan 8.310 nan 0.000 0.531 127 Q N 1.756 121.546 119.800 -0.017 0.000 2.259 127 Q HA 0.494 4.832 4.340 -0.004 0.000 0.201 127 Q C 0.880 176.901 176.000 0.034 0.000 0.938 127 Q CA 0.624 56.427 55.803 0.001 0.000 0.872 127 Q CB -0.448 28.277 28.738 -0.021 0.000 0.971 127 Q HN 0.662 nan 8.270 nan 0.000 0.494 128 A N 2.961 125.805 122.820 0.040 0.000 2.568 128 A HA -0.053 4.264 4.320 -0.004 0.000 0.273 128 A C -2.098 175.604 177.584 0.197 0.000 0.978 128 A CA -0.577 51.521 52.037 0.101 0.000 0.946 128 A CB -0.798 18.236 19.000 0.057 0.000 0.842 128 A HN 0.128 nan 8.150 nan 0.000 0.484 129 P HA -0.017 nan 4.420 nan 0.000 0.260 129 P C 0.980 178.255 177.300 -0.043 0.000 1.185 129 P CA 0.016 63.124 63.100 0.013 0.000 0.763 129 P CB 0.407 32.094 31.700 -0.021 0.000 0.776 130 R N 2.841 123.184 120.500 -0.261 0.000 2.159 130 R HA -0.153 4.185 4.340 -0.004 0.000 0.237 130 R C 1.386 177.425 176.300 -0.434 0.000 1.131 130 R CA 1.402 57.081 56.100 -0.702 0.000 0.982 130 R CB -0.066 29.925 30.300 -0.514 0.000 0.868 130 R HN 0.563 nan 8.270 nan 0.000 0.453 131 Q N -0.602 119.083 119.800 -0.191 0.000 2.432 131 Q HA 0.081 4.419 4.340 -0.004 0.000 0.205 131 Q C 0.820 176.797 176.000 -0.037 0.000 0.945 131 Q CA 0.345 56.090 55.803 -0.097 0.000 0.924 131 Q CB -0.254 28.452 28.738 -0.053 0.000 1.016 131 Q HN 0.198 nan 8.270 nan 0.000 0.503 132 G N 1.032 109.825 108.800 -0.012 0.000 2.353 132 G HA2 0.128 4.085 3.960 -0.004 0.000 0.239 132 G HA3 0.128 4.085 3.960 -0.004 0.000 0.239 132 G C 0.560 175.487 174.900 0.045 0.000 1.295 132 G CA -0.369 44.745 45.100 0.023 0.000 0.884 132 G HN 0.186 nan 8.290 nan 0.000 0.537 133 L N 1.513 122.745 121.223 0.015 0.000 2.353 133 L HA 0.023 4.361 4.340 -0.004 0.000 0.220 133 L C 1.911 178.784 176.870 0.005 0.000 1.133 133 L CA 1.143 55.987 54.840 0.008 0.000 0.798 133 L CB -0.127 41.922 42.059 -0.015 0.000 0.922 133 L HN 0.491 nan 8.230 nan 0.000 0.445 134 L N -1.766 119.460 121.223 0.004 0.000 3.209 134 L HA 0.170 4.508 4.340 -0.004 0.000 0.279 134 L C -0.285 176.586 176.870 0.002 0.000 1.301 134 L CA -0.660 54.169 54.840 -0.020 0.000 1.004 134 L CB -0.199 41.823 42.059 -0.062 0.000 1.402 134 L HN 0.040 nan 8.230 nan 0.000 0.577 135 Y N 1.430 121.696 120.300 -0.057 0.000 2.745 135 Y HA 0.177 4.725 4.550 -0.004 0.000 0.335 135 Y C 1.468 177.335 175.900 -0.054 0.000 1.212 135 Y CA 1.128 59.196 58.100 -0.053 0.000 1.535 135 Y CB 0.425 38.862 38.460 -0.039 0.000 1.220 135 Y HN 0.460 nan 8.280 nan 0.000 0.531 136 G N 3.711 112.115 108.800 -0.659 0.000 2.143 136 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.249 136 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.249 136 G C -0.417 174.286 174.900 -0.329 0.000 0.981 136 G CA 0.077 44.787 45.100 -0.650 0.000 0.665 136 G HN 0.710 nan 8.290 nan 0.000 0.528 137 V N 2.249 122.020 119.914 -0.239 0.000 2.432 137 V HA 0.389 4.507 4.120 -0.004 0.000 0.271 137 V C -1.548 174.419 176.094 -0.210 0.000 1.046 137 V CA -1.377 60.797 62.300 -0.210 0.000 0.945 137 V CB 1.307 33.032 31.823 -0.165 0.000 0.992 137 V HN 0.141 nan 8.190 nan 0.000 0.471 138 P HA 0.251 nan 4.420 nan 0.000 0.276 138 P C -0.702 176.501 177.300 -0.160 0.000 1.235 138 P CA 0.045 62.943 63.100 -0.336 0.000 0.772 138 P CB 0.945 32.115 31.700 -0.884 0.000 0.871 139 V N 0.589 120.571 119.914 0.114 0.000 2.735 139 V HA 0.751 4.868 4.120 -0.004 0.000 0.310 139 V C -0.237 175.949 176.094 0.154 0.000 1.061 139 V CA -0.950 61.411 62.300 0.102 0.000 0.913 139 V CB 1.865 33.664 31.823 -0.040 0.000 1.005 139 V HN 0.535 nan 8.190 nan 0.000 0.428 140 S N 5.092 120.805 115.700 0.022 0.000 2.585 140 S HA 0.815 5.283 4.470 -0.004 0.000 0.277 140 S C -0.504 173.995 174.600 -0.170 0.000 1.241 140 S CA -0.743 57.348 58.200 -0.182 0.000 1.041 140 S CB 1.115 64.222 63.200 -0.154 0.000 0.987 140 S HN 0.825 nan 8.310 nan 0.000 0.512 141 L N 1.898 123.027 121.223 -0.157 0.000 2.362 141 L HA 0.515 4.852 4.340 -0.004 0.000 0.275 141 L C 0.239 177.165 176.870 0.093 0.000 0.998 141 L CA -0.887 53.910 54.840 -0.071 0.000 0.820 141 L CB 1.851 43.942 42.059 0.053 0.000 1.270 141 L HN 0.740 nan 8.230 nan 0.000 0.415 142 K N 1.979 122.479 120.400 0.168 0.000 2.469 142 K HA -0.059 4.259 4.320 -0.004 0.000 0.274 142 K C 1.004 177.667 176.600 0.104 0.000 0.983 142 K CA 0.133 56.532 56.287 0.187 0.000 0.974 142 K CB 0.735 33.414 32.500 0.299 0.000 0.913 142 K HN 0.659 nan 8.250 nan 0.000 0.493 143 E N 2.153 122.250 120.200 -0.171 0.000 2.265 143 E HA -0.189 4.159 4.350 -0.004 0.000 0.196 143 E C 1.553 177.869 176.600 -0.474 0.000 0.996 143 E CA 1.422 57.449 56.400 -0.623 0.000 0.832 143 E CB -0.055 29.424 29.700 -0.368 0.000 0.756 143 E HN 0.806 nan 8.360 nan 0.000 0.491 144 C N -0.399 118.796 119.300 -0.176 0.000 2.456 144 C HA 0.097 4.555 4.460 -0.004 0.000 0.279 144 C C 1.191 176.109 174.990 -0.121 0.000 1.427 144 C CA -0.747 58.186 59.018 -0.142 0.000 1.778 144 C CB -1.696 25.937 27.740 -0.177 0.000 1.842 144 C HN 0.049 nan 8.230 nan 0.000 0.531 145 F N 4.079 124.043 119.950 0.024 0.000 2.512 145 F HA 0.242 4.766 4.527 -0.004 0.000 0.350 145 F C 1.393 177.359 175.800 0.277 0.000 1.212 145 F CA 0.255 58.339 58.000 0.140 0.000 1.099 145 F CB -0.065 39.026 39.000 0.151 0.000 1.238 145 F HN 0.292 nan 8.300 nan 0.000 0.600 146 S N 3.980 119.870 115.700 0.318 0.000 2.572 146 S HA 0.272 4.740 4.470 -0.004 0.000 0.279 146 S C -0.974 173.830 174.600 0.340 0.000 1.341 146 S CA -0.384 58.004 58.200 0.314 0.000 1.043 146 S CB 0.780 64.092 63.200 0.187 0.000 0.887 146 S HN 0.570 nan 8.310 nan 0.000 0.516 147 Y N 0.865 121.267 120.300 0.170 0.000 2.433 147 Y HA 0.384 4.933 4.550 -0.003 0.000 0.337 147 Y C -0.133 175.819 175.900 0.087 0.000 1.026 147 Y CA -0.950 57.174 58.100 0.040 0.000 1.037 147 Y CB 1.481 39.819 38.460 -0.202 0.000 1.245 147 Y HN 0.889 nan 8.280 nan 0.000 0.443 148 K N 3.310 123.624 120.400 -0.145 0.000 2.491 148 K HA 0.218 4.535 4.320 -0.004 0.000 0.279 148 K C 0.938 177.689 176.600 0.251 0.000 1.026 148 K CA 1.767 58.058 56.287 0.008 0.000 1.070 148 K CB -0.211 32.214 32.500 -0.126 0.000 0.887 148 K HN 1.124 nan 8.250 nan 0.000 0.481 149 G N 3.027 111.945 108.800 0.196 0.000 2.159 149 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.256 149 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.256 149 G C -0.547 174.416 174.900 0.104 0.000 0.977 149 G CA 0.306 45.497 45.100 0.153 0.000 0.652 149 G HN 0.779 nan 8.290 nan 0.000 0.531 150 H N 0.426 119.594 119.070 0.164 0.000 2.572 150 H HA 0.542 5.096 4.556 -0.004 0.000 0.359 150 H C -0.467 174.977 175.328 0.193 0.000 1.134 150 H CA -0.683 55.470 56.048 0.175 0.000 1.187 150 H CB 1.225 31.091 29.762 0.174 0.000 1.597 150 H HN 0.121 nan 8.280 nan 0.000 0.524 151 D N 0.551 121.104 120.400 0.255 0.000 2.423 151 D HA 0.118 4.756 4.640 -0.004 0.000 0.238 151 D C -0.198 176.261 176.300 0.265 0.000 1.142 151 D CA 0.335 54.467 54.000 0.221 0.000 0.884 151 D CB 0.681 41.596 40.800 0.191 0.000 1.199 151 D HN 0.328 nan 8.370 nan 0.000 0.438 152 S N 0.150 115.955 115.700 0.175 0.000 2.328 152 S HA 0.114 4.581 4.470 -0.004 0.000 0.204 152 S C 1.378 176.024 174.600 0.076 0.000 1.475 152 S CA -0.606 57.643 58.200 0.082 0.000 1.148 152 S CB 0.607 63.845 63.200 0.065 0.000 1.077 152 S HN 0.551 nan 8.310 nan 0.000 0.479 153 T N 0.334 114.957 114.554 0.115 0.000 2.867 153 T HA -0.066 4.282 4.350 -0.004 0.000 0.268 153 T C 0.961 175.697 174.700 0.060 0.000 1.057 153 T CA 0.492 62.660 62.100 0.114 0.000 1.136 153 T CB -0.461 68.536 68.868 0.214 0.000 0.874 153 T HN 0.382 nan 8.240 nan 0.000 0.466 154 L N 0.918 122.175 121.223 0.057 0.000 4.179 154 L HA -0.147 4.190 4.340 -0.004 0.000 0.418 154 L C 1.553 178.451 176.870 0.047 0.000 1.168 154 L CA 0.992 55.854 54.840 0.037 0.000 0.972 154 L CB -2.259 39.808 42.059 0.013 0.000 2.005 154 L HN 0.877 nan 8.230 nan 0.000 0.935 155 G N -2.573 106.289 108.800 0.104 0.000 2.168 155 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.263 155 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.263 155 G C 0.323 175.198 174.900 -0.041 0.000 0.977 155 G CA 0.417 45.563 45.100 0.078 0.000 0.659 155 G HN 0.271 nan 8.290 nan 0.000 0.533 156 L N 1.195 122.366 121.223 -0.086 0.000 2.334 156 L HA 0.543 4.881 4.340 -0.004 0.000 0.277 156 L C 1.990 178.788 176.870 -0.119 0.000 1.075 156 L CA 0.785 55.515 54.840 -0.184 0.000 0.804 156 L CB 1.210 43.122 42.059 -0.245 0.000 1.174 156 L HN 0.367 nan 8.230 nan 0.000 0.438 157 S N 3.820 119.439 115.700 -0.136 0.000 2.387 157 S HA -0.136 4.332 4.470 -0.004 0.000 0.226 157 S C 1.664 176.221 174.600 -0.072 0.000 1.026 157 S CA 1.075 59.222 58.200 -0.089 0.000 0.972 157 S CB -0.390 62.760 63.200 -0.084 0.000 0.814 157 S HN 0.651 nan 8.310 nan 0.000 0.477 158 L N -0.224 120.939 121.223 -0.100 0.000 2.362 158 L HA 0.211 4.549 4.340 -0.004 0.000 0.219 158 L C 1.120 177.969 176.870 -0.034 0.000 1.134 158 L CA 1.259 56.058 54.840 -0.068 0.000 0.807 158 L CB -0.553 41.444 42.059 -0.105 0.000 0.927 158 L HN 0.126 nan 8.230 nan 0.000 0.447 159 N N 0.134 118.815 118.700 -0.031 0.000 2.280 159 N HA 0.050 4.788 4.740 -0.004 0.000 0.192 159 N C 0.125 175.654 175.510 0.033 0.000 1.109 159 N CA 0.166 53.222 53.050 0.009 0.000 0.855 159 N CB 0.076 38.571 38.487 0.014 0.000 0.974 159 N HN 0.446 nan 8.380 nan 0.000 0.482 160 E N 0.394 120.604 120.200 0.015 0.000 2.331 160 E HA 0.269 4.617 4.350 -0.004 0.000 0.272 160 E C 0.503 177.121 176.600 0.029 0.000 1.036 160 E CA -0.031 56.384 56.400 0.026 0.000 0.864 160 E CB 0.676 30.371 29.700 -0.009 0.000 1.035 160 E HN 0.374 nan 8.360 nan 0.000 0.408 161 G N 4.548 113.372 108.800 0.040 0.000 2.221 161 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.265 161 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.265 161 G C 0.293 175.216 174.900 0.038 0.000 1.041 161 G CA 0.578 45.699 45.100 0.035 0.000 0.807 161 G HN 0.419 nan 8.290 nan 0.000 0.502 162 M N 0.608 120.239 119.600 0.052 0.000 3.053 162 M HA 0.194 4.671 4.480 -0.004 0.000 0.293 162 M C -2.601 173.742 176.300 0.072 0.000 1.470 162 M CA -1.272 54.060 55.300 0.053 0.000 0.582 162 M CB 1.383 34.012 32.600 0.049 0.000 1.435 162 M HN -0.005 nan 8.290 nan 0.000 0.451 163 P HA 0.033 nan 4.420 nan 0.000 0.265 163 P C 0.208 177.567 177.300 0.098 0.000 1.193 163 P CA 0.401 63.556 63.100 0.091 0.000 0.765 163 P CB 0.527 32.261 31.700 0.056 0.000 0.823 164 S N 1.738 117.520 115.700 0.137 0.000 2.576 164 S HA 0.066 4.534 4.470 -0.004 0.000 0.276 164 S C 0.890 175.539 174.600 0.083 0.000 1.339 164 S CA -0.351 57.917 58.200 0.112 0.000 1.039 164 S CB 0.467 63.752 63.200 0.141 0.000 0.902 164 S HN 0.435 nan 8.310 nan 0.000 0.516 165 E N 1.145 121.376 120.200 0.052 0.000 2.489 165 E HA 0.094 4.442 4.350 -0.004 0.000 0.193 165 E C 0.273 176.881 176.600 0.013 0.000 1.057 165 E CA 0.385 56.803 56.400 0.031 0.000 0.866 165 E CB 0.143 29.855 29.700 0.021 0.000 0.916 165 E HN 0.828 nan 8.360 nan 0.000 0.500 166 S N 0.028 115.735 115.700 0.011 0.000 2.595 166 S HA 0.182 4.650 4.470 -0.004 0.000 0.270 166 S C -1.326 173.251 174.600 -0.038 0.000 1.145 166 S CA -1.166 57.017 58.200 -0.028 0.000 0.825 166 S CB 1.474 64.661 63.200 -0.023 0.000 1.107 166 S HN -0.206 nan 8.310 nan 0.000 0.461 167 D N 1.706 122.035 120.400 -0.119 0.000 2.455 167 D HA 0.308 4.946 4.640 -0.004 0.000 0.241 167 D C 1.092 177.387 176.300 -0.007 0.000 1.138 167 D CA -0.153 53.774 54.000 -0.123 0.000 0.877 167 D CB 0.258 40.924 40.800 -0.224 0.000 1.187 167 D HN 0.912 nan 8.370 nan 0.000 0.451 168 C N 0.562 119.904 119.300 0.069 0.000 2.727 168 C HA 0.122 4.579 4.460 -0.004 0.000 0.401 168 C C 2.166 177.208 174.990 0.086 0.000 1.294 168 C CA -0.922 58.157 59.018 0.102 0.000 2.134 168 C CB -0.020 27.828 27.740 0.179 0.000 2.724 168 C HN 0.504 nan 8.230 nan 0.000 0.677 169 V N 2.858 122.824 119.914 0.086 0.000 2.282 169 V HA -0.222 3.896 4.120 -0.004 0.000 0.249 169 V C 2.641 178.778 176.094 0.072 0.000 1.057 169 V CA 2.747 65.089 62.300 0.070 0.000 1.032 169 V CB -0.981 30.889 31.823 0.078 0.000 0.645 169 V HN 1.027 nan 8.190 nan 0.000 0.447 170 V N -2.347 117.639 119.914 0.120 0.000 2.626 170 V HA -0.116 4.002 4.120 -0.004 0.000 0.252 170 V C 2.182 178.300 176.094 0.040 0.000 1.067 170 V CA 1.679 64.034 62.300 0.091 0.000 1.081 170 V CB -0.644 31.267 31.823 0.146 0.000 0.686 170 V HN 0.290 nan 8.190 nan 0.000 0.468 171 V N 0.596 120.554 119.914 0.073 0.000 2.307 171 V HA -0.279 3.838 4.120 -0.004 0.000 0.245 171 V C 2.877 178.957 176.094 -0.023 0.000 1.045 171 V CA 2.570 64.889 62.300 0.032 0.000 1.024 171 V CB -0.811 31.063 31.823 0.086 0.000 0.651 171 V HN 0.570 nan 8.190 nan 0.000 0.449 172 Q N -0.249 119.535 119.800 -0.028 0.000 2.112 172 Q HA -0.213 4.124 4.340 -0.004 0.000 0.206 172 Q C 2.336 178.290 176.000 -0.076 0.000 0.987 172 Q CA 2.362 58.131 55.803 -0.057 0.000 0.858 172 Q CB -0.432 28.284 28.738 -0.036 0.000 0.905 172 Q HN 0.755 nan 8.270 nan 0.000 0.420 173 V N -1.986 117.891 119.914 -0.062 0.000 2.488 173 V HA -0.166 3.952 4.120 -0.004 0.000 0.246 173 V C 2.037 178.056 176.094 -0.124 0.000 1.046 173 V CA 1.074 63.311 62.300 -0.106 0.000 1.053 173 V CB -0.758 31.024 31.823 -0.067 0.000 0.679 173 V HN 0.252 nan 8.190 nan 0.000 0.458 174 L N 0.056 121.227 121.223 -0.087 0.000 1.978 174 L HA -0.238 4.100 4.340 -0.004 0.000 0.218 174 L C 2.980 179.797 176.870 -0.088 0.000 1.075 174 L CA 2.673 57.462 54.840 -0.086 0.000 0.767 174 L CB -0.791 41.224 42.059 -0.072 0.000 0.890 174 L HN 0.291 nan 8.230 nan 0.000 0.434 175 K N -0.069 120.283 120.400 -0.079 0.000 2.044 175 K HA -0.206 4.112 4.320 -0.004 0.000 0.210 175 K C 2.102 178.636 176.600 -0.110 0.000 1.049 175 K CA 1.421 57.661 56.287 -0.078 0.000 0.927 175 K CB -0.365 32.089 32.500 -0.076 0.000 0.713 175 K HN 0.224 nan 8.250 nan 0.000 0.443 176 L N 0.554 121.673 121.223 -0.174 0.000 2.191 176 L HA -0.194 4.144 4.340 -0.004 0.000 0.212 176 L C 2.143 178.839 176.870 -0.289 0.000 1.103 176 L CA 0.961 55.626 54.840 -0.290 0.000 0.769 176 L CB -0.065 41.675 42.059 -0.531 0.000 0.908 176 L HN 0.156 nan 8.230 nan 0.000 0.438 177 Q N -0.498 119.176 119.800 -0.209 0.000 2.280 177 Q HA 0.140 4.478 4.340 -0.004 0.000 0.202 177 Q C 1.179 177.152 176.000 -0.044 0.000 0.903 177 Q CA 0.635 56.361 55.803 -0.129 0.000 0.948 177 Q CB 0.351 29.021 28.738 -0.113 0.000 1.058 177 Q HN 0.371 nan 8.270 nan 0.000 0.493 178 G N -1.369 107.414 108.800 -0.027 0.000 2.195 178 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.246 178 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.246 178 G C 0.356 175.239 174.900 -0.028 0.000 0.984 178 G CA 0.042 45.175 45.100 0.056 0.000 0.633 178 G HN 0.675 nan 8.290 nan 0.000 0.525 179 A N -0.559 122.226 122.820 -0.059 0.000 2.327 179 A HA 0.684 5.002 4.320 -0.004 0.000 0.255 179 A C 0.412 177.954 177.584 -0.070 0.000 1.099 179 A CA 0.695 52.683 52.037 -0.082 0.000 0.801 179 A CB 1.002 19.956 19.000 -0.077 0.000 1.062 179 A HN 1.201 nan 8.150 nan 0.000 0.496 180 V N 2.481 122.361 119.914 -0.056 0.000 2.380 180 V HA 0.251 4.369 4.120 -0.004 0.000 0.268 180 V C -2.608 173.543 176.094 0.094 0.000 1.008 180 V CA -1.242 61.050 62.300 -0.013 0.000 0.823 180 V CB 0.960 32.746 31.823 -0.061 0.000 1.053 180 V HN 0.707 nan 8.190 nan 0.000 0.446 181 P HA 0.129 nan 4.420 nan 0.000 0.267 181 P C 0.105 177.445 177.300 0.066 0.000 1.209 181 P CA 0.193 63.339 63.100 0.076 0.000 0.763 181 P CB 0.317 32.057 31.700 0.067 0.000 0.816 182 F N 3.538 123.394 119.950 -0.157 0.000 2.747 182 F HA 0.329 4.853 4.527 -0.004 0.000 0.305 182 F C -0.139 175.565 175.800 -0.161 0.000 1.065 182 F CA -0.281 57.653 58.000 -0.109 0.000 1.230 182 F CB -0.163 38.878 39.000 0.068 0.000 1.027 182 F HN 0.095 nan 8.300 nan 0.000 0.607 183 V N -1.236 118.176 119.914 -0.836 0.000 3.007 183 V HA 0.531 4.649 4.120 -0.004 0.000 0.311 183 V C -1.228 174.606 176.094 -0.434 0.000 1.120 183 V CA -0.956 60.965 62.300 -0.631 0.000 0.980 183 V CB 1.359 32.759 31.823 -0.705 0.000 1.033 183 V HN 0.298 nan 8.190 nan 0.000 0.429 184 H N 1.771 120.628 119.070 -0.354 0.000 2.562 184 H HA 0.621 5.175 4.556 -0.004 0.000 0.314 184 H C 0.233 175.417 175.328 -0.241 0.000 1.079 184 H CA 0.034 55.930 56.048 -0.254 0.000 1.349 184 H CB 1.580 31.222 29.762 -0.200 0.000 1.432 184 H HN 1.032 nan 8.280 nan 0.000 0.479 185 T N 1.111 115.626 114.554 -0.065 0.000 2.902 185 T HA 0.147 4.495 4.350 -0.004 0.000 0.283 185 T C 0.389 175.018 174.700 -0.118 0.000 1.009 185 T CA -1.163 60.872 62.100 -0.108 0.000 1.051 185 T CB 1.501 70.322 68.868 -0.078 0.000 0.999 185 T HN 0.443 nan 8.240 nan 0.000 0.474 186 N N 0.476 119.104 118.700 -0.120 0.000 2.453 186 N HA 0.379 5.117 4.740 -0.004 0.000 0.253 186 N C -0.407 175.084 175.510 -0.031 0.000 1.252 186 N CA -0.129 52.863 53.050 -0.097 0.000 0.917 186 N CB 0.558 39.014 38.487 -0.053 0.000 1.117 186 N HN 0.814 nan 8.380 nan 0.000 0.442 187 V N -0.321 119.595 119.914 0.002 0.000 3.078 187 V HA 0.763 4.881 4.120 -0.004 0.000 0.311 187 V C -2.687 173.444 176.094 0.061 0.000 1.138 187 V CA -2.118 60.200 62.300 0.029 0.000 1.007 187 V CB 1.997 33.834 31.823 0.023 0.000 1.045 187 V HN 0.608 nan 8.190 nan 0.000 0.432 188 P HA 0.128 nan 4.420 nan 0.000 0.272 188 P C -0.571 176.800 177.300 0.119 0.000 1.223 188 P CA -0.077 63.075 63.100 0.087 0.000 0.784 188 P CB 0.503 32.250 31.700 0.078 0.000 0.923 189 Q N 2.016 121.893 119.800 0.128 0.000 2.262 189 Q HA 0.004 4.341 4.340 -0.004 0.000 0.298 189 Q C 0.648 176.763 176.000 0.192 0.000 1.083 189 Q CA 1.292 57.161 55.803 0.111 0.000 0.962 189 Q CB -0.385 28.416 28.738 0.106 0.000 1.104 189 Q HN 0.701 nan 8.270 nan 0.000 0.376 190 S N 3.350 119.120 115.700 0.116 0.000 3.084 190 S HA -0.306 4.162 4.470 -0.004 0.000 0.277 190 S C 0.533 175.344 174.600 0.352 0.000 1.295 190 S CA 1.441 59.780 58.200 0.232 0.000 1.170 190 S CB -1.961 61.487 63.200 0.413 0.000 1.412 190 S HN 1.011 nan 8.310 nan 0.000 0.669 191 M N -2.495 117.252 119.600 0.244 0.000 2.762 191 M HA -0.221 4.257 4.480 -0.004 0.000 0.190 191 M C 0.075 176.505 176.300 0.216 0.000 0.586 191 M CA 1.479 56.890 55.300 0.185 0.000 0.620 191 M CB -2.379 30.295 32.600 0.124 0.000 2.269 191 M HN 0.539 nan 8.290 nan 0.000 0.563 192 F N 0.298 120.372 119.950 0.206 0.000 2.908 192 F HA 0.477 5.002 4.527 -0.004 0.000 0.328 192 F C 0.589 176.483 175.800 0.158 0.000 1.211 192 F CA -0.057 58.044 58.000 0.168 0.000 1.291 192 F CB 0.786 39.873 39.000 0.145 0.000 0.962 192 F HN 0.084 nan 8.300 nan 0.000 0.505 193 S N -0.445 115.324 115.700 0.116 0.000 2.599 193 S HA 0.318 4.786 4.470 -0.004 0.000 0.287 193 S C -0.248 174.340 174.600 -0.020 0.000 1.105 193 S CA -0.456 57.765 58.200 0.035 0.000 0.899 193 S CB 0.833 64.051 63.200 0.031 0.000 1.100 193 S HN 0.286 nan 8.310 nan 0.000 0.482 194 Y N 1.130 121.280 120.300 -0.250 0.000 2.683 194 Y HA 0.534 5.082 4.550 -0.004 0.000 0.297 194 Y C 0.236 175.977 175.900 -0.266 0.000 1.147 194 Y CA -0.814 57.056 58.100 -0.384 0.000 1.274 194 Y CB -0.315 37.564 38.460 -0.970 0.000 1.143 194 Y HN 0.477 nan 8.280 nan 0.000 0.527 195 D N -0.214 120.037 120.400 -0.249 0.000 2.541 195 D HA 0.324 4.962 4.640 -0.004 0.000 0.276 195 D C -0.544 175.729 176.300 -0.043 0.000 1.190 195 D CA -0.760 53.154 54.000 -0.143 0.000 1.095 195 D CB 1.920 42.628 40.800 -0.154 0.000 1.173 195 D HN 0.161 nan 8.370 nan 0.000 0.604 196 C N 1.589 120.884 119.300 -0.009 0.000 3.090 196 C HA 0.464 4.922 4.460 -0.004 0.000 0.227 196 C C -0.715 174.295 174.990 0.033 0.000 1.753 196 C CA -0.096 58.934 59.018 0.020 0.000 1.152 196 C CB -1.721 26.035 27.740 0.025 0.000 2.036 196 C HN 0.447 nan 8.230 nan 0.000 0.610 197 S N 1.880 117.602 115.700 0.036 0.000 2.566 197 S HA 0.906 5.374 4.470 -0.004 0.000 0.298 197 S C -0.878 173.764 174.600 0.070 0.000 1.083 197 S CA -0.368 57.861 58.200 0.049 0.000 0.978 197 S CB 1.802 65.019 63.200 0.029 0.000 1.073 197 S HN 0.867 nan 8.310 nan 0.000 0.491 198 N N -0.166 118.582 118.700 0.080 0.000 2.494 198 N HA 0.567 5.305 4.740 -0.004 0.000 0.270 198 N C -2.942 172.596 175.510 0.046 0.000 1.285 198 N CA -1.799 51.298 53.050 0.079 0.000 0.812 198 N CB 1.378 39.929 38.487 0.106 0.000 1.557 198 N HN 0.250 nan 8.380 nan 0.000 0.487 199 P HA 0.029 nan 4.420 nan 0.000 0.233 199 P C 0.742 178.007 177.300 -0.057 0.000 1.167 199 P CA 0.285 63.378 63.100 -0.011 0.000 0.770 199 P CB 0.258 31.998 31.700 0.067 0.000 0.837 200 L N -1.758 119.401 121.223 -0.107 0.000 2.022 200 L HA 0.043 4.381 4.340 -0.004 0.000 0.204 200 L C 1.919 178.521 176.870 -0.446 0.000 1.076 200 L CA 1.991 56.623 54.840 -0.348 0.000 0.749 200 L CB -1.499 40.239 42.059 -0.536 0.000 0.903 200 L HN -0.086 nan 8.230 nan 0.000 0.439 201 F N -1.146 118.811 119.950 0.012 0.000 2.695 201 F HA 0.471 4.996 4.527 -0.004 0.000 0.303 201 F C 1.481 177.280 175.800 -0.002 0.000 1.091 201 F CA 0.316 58.321 58.000 0.008 0.000 1.300 201 F CB -0.165 38.843 39.000 0.013 0.000 1.071 201 F HN 0.200 nan 8.300 nan 0.000 0.578 202 G N 1.280 110.150 108.800 0.116 0.000 2.542 202 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.235 202 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.235 202 G C -0.591 174.351 174.900 0.070 0.000 1.286 202 G CA -0.260 44.877 45.100 0.062 0.000 0.904 202 G HN 0.457 nan 8.290 nan 0.000 0.577 203 Q N -0.272 119.552 119.800 0.041 0.000 2.316 203 Q HA 0.688 5.026 4.340 -0.004 0.000 0.264 203 Q C -0.491 175.526 176.000 0.028 0.000 0.987 203 Q CA -0.370 55.452 55.803 0.032 0.000 0.852 203 Q CB 1.598 30.345 28.738 0.014 0.000 1.287 203 Q HN 0.571 nan 8.270 nan 0.000 0.448 204 T N 4.518 119.090 114.554 0.030 0.000 2.889 204 T HA 0.452 4.800 4.350 -0.004 0.000 0.291 204 T C -0.196 174.522 174.700 0.030 0.000 0.995 204 T CA -0.282 61.833 62.100 0.024 0.000 1.092 204 T CB 0.646 69.528 68.868 0.024 0.000 0.954 204 T HN 0.606 nan 8.240 nan 0.000 0.506 205 M N 2.672 122.290 119.600 0.030 0.000 2.578 205 M HA 0.356 4.833 4.480 -0.004 0.000 0.321 205 M C 0.422 176.764 176.300 0.071 0.000 1.182 205 M CA -0.893 54.432 55.300 0.042 0.000 0.965 205 M CB 1.350 33.965 32.600 0.024 0.000 1.694 205 M HN 0.431 nan 8.290 nan 0.000 0.461 206 N N 3.185 121.944 118.700 0.098 0.000 2.475 206 N HA 0.114 4.852 4.740 -0.004 0.000 0.267 206 N C -1.909 173.696 175.510 0.158 0.000 1.169 206 N CA -1.076 52.069 53.050 0.159 0.000 0.947 206 N CB 1.154 39.739 38.487 0.165 0.000 1.061 206 N HN 0.370 nan 8.380 nan 0.000 0.466 207 P HA -0.052 nan 4.420 nan 0.000 0.223 207 P C 0.722 178.037 177.300 0.026 0.000 1.151 207 P CA 1.024 64.160 63.100 0.061 0.000 0.787 207 P CB 0.030 31.731 31.700 0.003 0.000 0.788 208 W N 0.881 122.187 121.300 0.009 0.000 2.576 208 W HA 0.195 4.853 4.660 -0.004 0.000 0.270 208 W C 1.060 177.574 176.519 -0.008 0.000 1.255 208 W CA 0.581 57.927 57.345 0.001 0.000 1.314 208 W CB 0.021 29.483 29.460 0.003 0.000 1.101 208 W HN -0.114 nan 8.180 nan 0.000 0.595 209 K N -0.613 119.913 120.400 0.210 0.000 2.606 209 K HA 0.147 4.465 4.320 -0.004 0.000 0.259 209 K C 0.448 177.090 176.600 0.069 0.000 1.001 209 K CA -0.103 56.249 56.287 0.110 0.000 0.881 209 K CB 1.190 33.745 32.500 0.093 0.000 1.288 209 K HN -0.334 nan 8.250 nan 0.000 0.452 210 S N 0.378 116.102 115.700 0.040 0.000 2.442 210 S HA -0.147 4.321 4.470 -0.004 0.000 0.236 210 S C 1.487 176.096 174.600 0.016 0.000 1.007 210 S CA 1.680 59.894 58.200 0.024 0.000 0.965 210 S CB -0.092 63.112 63.200 0.007 0.000 0.773 210 S HN 0.759 nan 8.310 nan 0.000 0.504 211 S N 0.242 115.948 115.700 0.011 0.000 2.562 211 S HA 0.160 4.627 4.470 -0.004 0.000 0.221 211 S C 0.551 175.147 174.600 -0.007 0.000 0.975 211 S CA 0.099 58.298 58.200 -0.002 0.000 0.918 211 S CB 0.057 63.252 63.200 -0.008 0.000 0.772 211 S HN 0.088 nan 8.310 nan 0.000 0.531 212 K N 1.938 122.342 120.400 0.005 0.000 2.123 212 K HA 0.462 4.779 4.320 -0.004 0.000 0.248 212 K C -0.133 176.487 176.600 0.033 0.000 0.969 212 K CA -0.395 55.890 56.287 -0.004 0.000 0.882 212 K CB 1.561 34.051 32.500 -0.017 0.000 1.080 212 K HN 0.179 nan 8.250 nan 0.000 0.441 213 S N 1.967 117.696 115.700 0.047 0.000 2.580 213 S HA 0.196 4.664 4.470 -0.004 0.000 0.274 213 S C -1.599 173.143 174.600 0.236 0.000 1.329 213 S CA -1.299 56.974 58.200 0.122 0.000 1.036 213 S CB 0.480 63.765 63.200 0.141 0.000 0.919 213 S HN 0.318 nan 8.310 nan 0.000 0.515 214 P HA 0.218 nan 4.420 nan 0.000 0.249 214 P C 0.773 178.208 177.300 0.225 0.000 1.229 214 P CA 0.625 63.856 63.100 0.220 0.000 0.788 214 P CB -0.718 31.060 31.700 0.130 0.000 1.072 215 G N -0.896 108.034 108.800 0.216 0.000 2.760 215 G HA2 0.225 4.183 3.960 -0.004 0.000 0.246 215 G HA3 0.225 4.183 3.960 -0.004 0.000 0.246 215 G C -0.289 174.566 174.900 -0.075 0.000 1.359 215 G CA -0.644 44.341 45.100 -0.191 0.000 0.861 215 G HN 0.625 nan 8.290 nan 0.000 0.541 216 G N -2.639 106.117 108.800 -0.074 0.000 2.430 216 G HA2 0.711 4.669 3.960 -0.004 0.000 0.300 216 G HA3 0.711 4.669 3.960 -0.004 0.000 0.300 216 G C 0.889 175.830 174.900 0.069 0.000 1.330 216 G CA 0.827 45.930 45.100 0.005 0.000 0.813 216 G HN 2.087 nan 8.290 nan 0.000 0.487 217 S N -0.772 114.955 115.700 0.045 0.000 2.474 217 S HA 0.010 4.478 4.470 -0.004 0.000 0.235 217 S C 1.399 176.018 174.600 0.032 0.000 0.997 217 S CA 1.293 59.510 58.200 0.029 0.000 0.949 217 S CB 0.022 63.237 63.200 0.024 0.000 0.766 217 S HN 0.617 nan 8.310 nan 0.000 0.517 218 S N 1.807 117.530 115.700 0.037 0.000 3.122 218 S HA 0.365 4.833 4.470 -0.004 0.000 0.249 218 S C 1.492 176.111 174.600 0.033 0.000 1.334 218 S CA -0.036 58.190 58.200 0.042 0.000 1.251 218 S CB -0.137 63.096 63.200 0.055 0.000 1.034 218 S HN 0.677 nan 8.310 nan 0.000 0.478 219 G N 1.812 110.629 108.800 0.027 0.000 2.408 219 G HA2 0.020 3.978 3.960 -0.004 0.000 0.215 219 G HA3 0.020 3.978 3.960 -0.004 0.000 0.215 219 G C 1.384 176.303 174.900 0.033 0.000 1.156 219 G CA 0.428 45.548 45.100 0.033 0.000 0.793 219 G HN 0.589 nan 8.290 nan 0.000 0.535 220 G N 0.955 109.763 108.800 0.014 0.000 2.491 220 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.218 220 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.218 220 G C 1.629 176.529 174.900 -0.000 0.000 1.180 220 G CA 1.230 46.327 45.100 -0.006 0.000 0.774 220 G HN 0.327 nan 8.290 nan 0.000 0.562 221 E N 0.683 120.886 120.200 0.005 0.000 2.049 221 E HA -0.124 4.224 4.350 -0.004 0.000 0.198 221 E C 2.771 179.391 176.600 0.034 0.000 1.007 221 E CA 1.239 57.645 56.400 0.009 0.000 0.809 221 E CB -1.117 28.592 29.700 0.015 0.000 0.749 221 E HN 0.346 nan 8.360 nan 0.000 0.450 222 G N 1.100 109.929 108.800 0.049 0.000 2.459 222 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.217 222 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.217 222 G C 1.763 176.726 174.900 0.105 0.000 1.183 222 G CA 1.814 46.962 45.100 0.081 0.000 0.776 222 G HN 0.427 nan 8.290 nan 0.000 0.552 223 A N 0.134 123.009 122.820 0.090 0.000 1.902 223 A HA 0.083 4.401 4.320 -0.004 0.000 0.217 223 A C 2.380 180.003 177.584 0.066 0.000 1.181 223 A CA 1.736 53.828 52.037 0.091 0.000 0.623 223 A CB -0.442 18.596 19.000 0.063 0.000 0.818 223 A HN 0.421 nan 8.150 nan 0.000 0.443 224 L N -0.105 121.145 121.223 0.045 0.000 2.005 224 L HA -0.061 4.277 4.340 -0.004 0.000 0.207 224 L C 2.258 179.171 176.870 0.072 0.000 1.072 224 L CA 1.853 56.719 54.840 0.043 0.000 0.744 224 L CB -0.423 41.645 42.059 0.015 0.000 0.895 224 L HN 0.423 nan 8.230 nan 0.000 0.433 225 I N -0.661 119.952 120.570 0.072 0.000 2.315 225 I HA -0.150 4.018 4.170 -0.004 0.000 0.248 225 I C 2.261 178.438 176.117 0.101 0.000 1.117 225 I CA 1.177 62.526 61.300 0.083 0.000 1.404 225 I CB -0.871 37.165 38.000 0.059 0.000 1.071 225 I HN 0.407 nan 8.210 nan 0.000 0.419 226 G N -0.128 108.744 108.800 0.121 0.000 2.744 226 G HA2 -0.131 3.826 3.960 -0.004 0.000 0.211 226 G HA3 -0.131 3.826 3.960 -0.004 0.000 0.211 226 G C 1.434 176.391 174.900 0.095 0.000 1.143 226 G CA 0.808 46.014 45.100 0.176 0.000 0.788 226 G HN 0.504 nan 8.290 nan 0.000 0.534 227 S N -1.578 114.145 115.700 0.039 0.000 2.554 227 S HA 0.430 4.898 4.470 -0.004 0.000 0.226 227 S C 1.559 176.150 174.600 -0.014 0.000 0.980 227 S CA 0.774 58.949 58.200 -0.041 0.000 0.939 227 S CB 0.441 63.614 63.200 -0.045 0.000 0.832 227 S HN 1.301 nan 8.310 nan 0.000 0.486 228 G N 0.580 109.407 108.800 0.045 0.000 2.157 228 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.239 228 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.239 228 G C 0.850 175.842 174.900 0.154 0.000 0.982 228 G CA -0.006 45.142 45.100 0.079 0.000 0.650 228 G HN 0.958 nan 8.290 nan 0.000 0.527 229 G N -0.708 108.189 108.800 0.162 0.000 2.712 229 G HA2 0.425 4.382 3.960 -0.004 0.000 0.212 229 G HA3 0.425 4.382 3.960 -0.004 0.000 0.212 229 G C 0.526 175.663 174.900 0.394 0.000 1.142 229 G CA 1.576 46.816 45.100 0.233 0.000 0.789 229 G HN 1.565 nan 8.290 nan 0.000 0.535 230 S N -0.631 115.244 115.700 0.291 0.000 2.543 230 S HA 0.521 4.988 4.470 -0.004 0.000 0.271 230 S C -2.323 172.249 174.600 -0.046 0.000 1.148 230 S CA -0.944 57.321 58.200 0.107 0.000 0.914 230 S CB 2.420 65.722 63.200 0.171 0.000 1.096 230 S HN -0.097 nan 8.310 nan 0.000 0.471 231 P HA 0.239 nan 4.420 nan 0.000 0.230 231 P C -0.170 177.060 177.300 -0.117 0.000 1.168 231 P CA 0.249 63.221 63.100 -0.213 0.000 0.793 231 P CB 0.097 31.555 31.700 -0.404 0.000 0.851 232 L N -1.120 120.031 121.223 -0.119 0.000 2.641 232 L HA 0.755 5.093 4.340 -0.004 0.000 0.261 232 L C -1.071 175.754 176.870 -0.075 0.000 0.926 232 L CA -0.490 54.296 54.840 -0.090 0.000 0.917 232 L CB 1.665 43.656 42.059 -0.113 0.000 1.361 232 L HN -0.009 nan 8.230 nan 0.000 0.417 233 G N 3.146 111.902 108.800 -0.074 0.000 2.733 233 G HA2 0.717 4.675 3.960 -0.004 0.000 0.288 233 G HA3 0.717 4.675 3.960 -0.004 0.000 0.288 233 G C -2.293 172.528 174.900 -0.132 0.000 1.373 233 G CA -0.712 44.329 45.100 -0.098 0.000 0.895 233 G HN 0.483 nan 8.290 nan 0.000 0.479 234 L N 0.461 121.557 121.223 -0.213 0.000 2.356 234 L HA 0.776 5.114 4.340 -0.004 0.000 0.277 234 L C 0.698 177.543 176.870 -0.042 0.000 0.996 234 L CA -0.220 54.455 54.840 -0.276 0.000 0.822 234 L CB 1.585 43.160 42.059 -0.808 0.000 1.256 234 L HN 0.843 nan 8.230 nan 0.000 0.413 235 G N 0.622 109.514 108.800 0.154 0.000 3.013 235 G HA2 0.774 4.732 3.960 -0.004 0.000 0.278 235 G HA3 0.774 4.732 3.960 -0.004 0.000 0.278 235 G C -0.866 174.228 174.900 0.324 0.000 1.353 235 G CA -0.084 45.182 45.100 0.277 0.000 1.043 235 G HN 0.572 nan 8.290 nan 0.000 0.523 236 T N -2.360 112.291 114.554 0.162 0.000 2.887 236 T HA 0.666 5.013 4.350 -0.004 0.000 0.292 236 T C -1.850 172.861 174.700 0.018 0.000 1.087 236 T CA -0.702 61.434 62.100 0.061 0.000 1.009 236 T CB 2.647 71.482 68.868 -0.055 0.000 1.203 236 T HN 0.514 nan 8.240 nan 0.000 0.518 237 D N 0.664 121.059 120.400 -0.009 0.000 2.548 237 D HA 0.251 4.889 4.640 -0.004 0.000 0.214 237 D C -0.352 175.919 176.300 -0.048 0.000 1.345 237 D CA -0.481 53.496 54.000 -0.038 0.000 0.945 237 D CB 1.694 42.469 40.800 -0.041 0.000 1.499 237 D HN 0.627 nan 8.370 nan 0.000 0.579 238 I N 1.795 122.321 120.570 -0.074 0.000 4.187 238 I HA 0.319 4.487 4.170 -0.004 0.000 0.326 238 I C 1.053 177.108 176.117 -0.103 0.000 1.302 238 I CA 0.247 61.504 61.300 -0.073 0.000 1.196 238 I CB 0.763 38.733 38.000 -0.049 0.000 1.095 238 I HN 0.452 nan 8.210 nan 0.000 0.411 239 G N -0.553 108.165 108.800 -0.135 0.000 4.213 239 G HA2 0.385 4.343 3.960 -0.004 0.000 0.274 239 G HA3 0.385 4.343 3.960 -0.004 0.000 0.274 239 G C 0.735 175.558 174.900 -0.129 0.000 1.033 239 G CA 0.400 45.422 45.100 -0.130 0.000 0.822 239 G HN 0.407 nan 8.290 nan 0.000 0.432 240 G N -0.088 108.591 108.800 -0.201 0.000 2.173 240 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.142 240 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.142 240 G C 1.055 175.751 174.900 -0.340 0.000 1.019 240 G CA 0.491 45.279 45.100 -0.520 0.000 0.699 240 G HN 0.369 nan 8.290 nan 0.000 0.495 241 S N -0.268 115.393 115.700 -0.065 0.000 2.555 241 S HA 0.219 4.687 4.470 -0.004 0.000 0.230 241 S C 2.104 176.705 174.600 0.002 0.000 0.978 241 S CA 0.921 59.145 58.200 0.041 0.000 0.934 241 S CB -0.009 63.194 63.200 0.004 0.000 0.766 241 S HN 0.532 nan 8.310 nan 0.000 0.533 242 I N 0.403 120.943 120.570 -0.049 0.000 2.731 242 I HA 0.047 4.215 4.170 -0.004 0.000 0.260 242 I C 2.379 178.451 176.117 -0.074 0.000 1.138 242 I CA 0.593 61.873 61.300 -0.033 0.000 1.461 242 I CB 0.056 38.045 38.000 -0.019 0.000 1.128 242 I HN 0.107 nan 8.210 nan 0.000 0.438 243 R N -0.241 120.155 120.500 -0.174 0.000 2.127 243 R HA 0.021 4.359 4.340 -0.004 0.000 0.217 243 R C 2.125 178.285 176.300 -0.232 0.000 1.074 243 R CA 0.976 56.945 56.100 -0.219 0.000 0.991 243 R CB -0.138 29.980 30.300 -0.303 0.000 0.895 243 R HN 0.126 nan 8.270 nan 0.000 0.450 244 F N 1.490 121.306 119.950 -0.223 0.000 2.051 244 F HA -0.085 4.440 4.527 -0.004 0.000 0.296 244 F C -0.598 174.880 175.800 -0.537 0.000 1.122 244 F CA 0.888 58.593 58.000 -0.492 0.000 1.201 244 F CB -1.532 37.121 39.000 -0.579 0.000 0.978 244 F HN 0.003 nan 8.300 nan 0.000 0.472 245 P HA -0.076 nan 4.420 nan 0.000 0.217 245 P C 1.658 178.987 177.300 0.049 0.000 1.151 245 P CA 1.611 64.687 63.100 -0.040 0.000 0.828 245 P CB -0.055 31.648 31.700 0.006 0.000 0.788 246 S N 0.265 115.980 115.700 0.024 0.000 2.370 246 S HA -0.111 4.357 4.470 -0.004 0.000 0.226 246 S C 2.203 176.845 174.600 0.070 0.000 1.033 246 S CA 1.566 59.791 58.200 0.042 0.000 1.011 246 S CB -0.936 62.269 63.200 0.007 0.000 0.852 246 S HN 0.208 nan 8.310 nan 0.000 0.457 247 A N 0.858 123.731 122.820 0.089 0.000 1.872 247 A HA 0.055 4.373 4.320 -0.004 0.000 0.214 247 A C 1.799 179.531 177.584 0.247 0.000 1.187 247 A CA 1.075 53.198 52.037 0.143 0.000 0.614 247 A CB -0.741 18.369 19.000 0.184 0.000 0.826 247 A HN 0.435 nan 8.150 nan 0.000 0.442 248 F N -0.172 119.789 119.950 0.018 0.000 2.171 248 F HA -0.133 4.392 4.527 -0.003 0.000 0.300 248 F C 2.296 178.054 175.800 -0.070 0.000 1.090 248 F CA 0.285 58.279 58.000 -0.010 0.000 1.293 248 F CB -1.039 37.997 39.000 0.060 0.000 1.013 248 F HN 0.231 nan 8.300 nan 0.000 0.486 249 C N -0.625 118.796 119.300 0.200 0.000 2.791 249 C HA 0.510 4.968 4.460 -0.004 0.000 0.270 249 C C 1.713 176.799 174.990 0.160 0.000 1.257 249 C CA 0.184 59.317 59.018 0.192 0.000 1.699 249 C CB -0.975 26.913 27.740 0.246 0.000 1.904 249 C HN 0.713 nan 8.230 nan 0.000 0.603 250 G N 2.229 111.034 108.800 0.009 0.000 2.246 250 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.273 250 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.273 250 G C -0.129 174.836 174.900 0.107 0.000 1.055 250 G CA 0.742 45.832 45.100 -0.017 0.000 0.851 250 G HN 0.759 nan 8.290 nan 0.000 0.500 251 I N -3.733 116.894 120.570 0.095 0.000 3.436 251 I HA 0.849 5.017 4.170 -0.004 0.000 0.296 251 I C 0.534 176.676 176.117 0.041 0.000 1.143 251 I CA -1.674 59.676 61.300 0.083 0.000 1.009 251 I CB 1.634 39.689 38.000 0.092 0.000 1.301 251 I HN 0.059 nan 8.210 nan 0.000 0.503 252 C N 0.965 120.281 119.300 0.027 0.000 2.366 252 C HA 0.950 5.408 4.460 -0.004 0.000 0.345 252 C C 0.476 175.466 174.990 -0.001 0.000 1.209 252 C CA -0.252 58.769 59.018 0.005 0.000 2.050 252 C CB 0.322 28.062 27.740 -0.001 0.000 2.359 252 C HN 1.037 nan 8.230 nan 0.000 0.527 253 G N 0.807 109.600 108.800 -0.013 0.000 2.720 253 G HA2 0.628 4.586 3.960 -0.004 0.000 0.295 253 G HA3 0.628 4.586 3.960 -0.004 0.000 0.295 253 G C -2.157 172.730 174.900 -0.021 0.000 1.437 253 G CA -0.354 44.737 45.100 -0.015 0.000 0.886 253 G HN 0.698 nan 8.290 nan 0.000 0.509 254 L N 0.442 121.657 121.223 -0.014 0.000 2.409 254 L HA 0.720 5.058 4.340 -0.004 0.000 0.272 254 L C -0.332 176.538 176.870 0.000 0.000 0.980 254 L CA -0.950 53.886 54.840 -0.007 0.000 0.826 254 L CB 1.972 44.032 42.059 0.002 0.000 1.268 254 L HN 0.464 nan 8.230 nan 0.000 0.407 255 K N 7.021 127.418 120.400 -0.004 0.000 2.300 255 K HA 0.490 4.808 4.320 -0.004 0.000 0.264 255 K C -2.514 174.090 176.600 0.006 0.000 1.083 255 K CA -1.737 54.551 56.287 0.001 0.000 0.958 255 K CB 0.967 33.459 32.500 -0.014 0.000 1.318 255 K HN 0.403 nan 8.250 nan 0.000 0.448 256 P HA 0.012 nan 4.420 nan 0.000 0.280 256 P C -0.636 176.633 177.300 -0.053 0.000 1.278 256 P CA -0.265 62.837 63.100 0.003 0.000 0.787 256 P CB 0.249 31.977 31.700 0.046 0.000 1.163 257 T N 0.156 114.622 114.554 -0.146 0.000 2.928 257 T HA 0.125 4.473 4.350 -0.004 0.000 0.305 257 T C 1.891 176.461 174.700 -0.218 0.000 1.035 257 T CA 0.553 62.454 62.100 -0.332 0.000 1.145 257 T CB 0.052 68.409 68.868 -0.850 0.000 0.963 257 T HN 0.571 nan 8.240 nan 0.000 0.545 258 G N 2.847 111.547 108.800 -0.167 0.000 2.732 258 G HA2 -0.351 3.607 3.960 -0.004 0.000 0.222 258 G HA3 -0.351 3.607 3.960 -0.004 0.000 0.222 258 G C 1.262 176.173 174.900 0.019 0.000 1.203 258 G CA 1.040 46.108 45.100 -0.053 0.000 0.780 258 G HN 0.688 nan 8.290 nan 0.000 0.621 259 N N -0.237 118.494 118.700 0.050 0.000 2.327 259 N HA 0.111 4.848 4.740 -0.004 0.000 0.231 259 N C 1.691 177.438 175.510 0.396 0.000 1.130 259 N CA -0.116 53.070 53.050 0.226 0.000 0.845 259 N CB 0.059 38.724 38.487 0.296 0.000 1.073 259 N HN 0.202 nan 8.380 nan 0.000 0.496 260 R N -0.336 120.359 120.500 0.325 0.000 2.119 260 R HA 0.255 4.593 4.340 -0.004 0.000 0.222 260 R C -0.063 176.428 176.300 0.318 0.000 1.088 260 R CA 1.117 57.483 56.100 0.443 0.000 0.984 260 R CB 0.090 30.580 30.300 0.317 0.000 0.884 260 R HN 0.216 nan 8.270 nan 0.000 0.447 261 L N -0.591 120.771 121.223 0.233 0.000 2.323 261 L HA 0.410 4.748 4.340 -0.004 0.000 0.265 261 L C -0.325 176.653 176.870 0.180 0.000 1.012 261 L CA -1.161 53.801 54.840 0.204 0.000 0.820 261 L CB 1.913 44.072 42.059 0.167 0.000 1.334 261 L HN -0.101 nan 8.230 nan 0.000 0.427 262 S N 0.213 116.015 115.700 0.170 0.000 2.474 262 S HA 0.167 4.635 4.470 -0.004 0.000 0.276 262 S C 0.541 175.220 174.600 0.132 0.000 1.227 262 S CA -0.395 57.893 58.200 0.147 0.000 1.050 262 S CB 0.407 63.688 63.200 0.136 0.000 0.939 262 S HN 0.588 nan 8.310 nan 0.000 0.490 263 K N 2.857 123.321 120.400 0.107 0.000 2.476 263 K HA 0.123 4.441 4.320 -0.004 0.000 0.196 263 K C 0.508 177.152 176.600 0.073 0.000 1.025 263 K CA -0.085 56.248 56.287 0.076 0.000 1.138 263 K CB 0.239 32.778 32.500 0.066 0.000 0.860 263 K HN 0.454 nan 8.250 nan 0.000 0.515 264 S N 0.169 115.920 115.700 0.084 0.000 2.533 264 S HA 0.274 4.742 4.470 -0.004 0.000 0.282 264 S C 1.234 175.876 174.600 0.070 0.000 1.304 264 S CA 0.646 58.888 58.200 0.070 0.000 1.063 264 S CB 0.418 63.659 63.200 0.068 0.000 0.881 264 S HN 0.646 nan 8.310 nan 0.000 0.493 265 G N 3.260 112.093 108.800 0.055 0.000 2.184 265 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.264 265 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.264 265 G C -0.111 174.828 174.900 0.065 0.000 0.975 265 G CA 0.240 45.376 45.100 0.059 0.000 0.642 265 G HN 0.678 nan 8.290 nan 0.000 0.536 266 L N 0.917 122.165 121.223 0.042 0.000 2.410 266 L HA 0.437 4.775 4.340 -0.004 0.000 0.273 266 L C 0.840 177.754 176.870 0.074 0.000 1.152 266 L CA -0.036 54.788 54.840 -0.026 0.000 0.855 266 L CB 1.004 42.991 42.059 -0.120 0.000 1.129 266 L HN -0.005 nan 8.230 nan 0.000 0.463 267 K N 2.208 122.633 120.400 0.042 0.000 2.258 267 K HA 0.615 4.933 4.320 -0.004 0.000 0.284 267 K C -0.040 176.587 176.600 0.044 0.000 1.051 267 K CA -0.038 56.319 56.287 0.117 0.000 0.923 267 K CB 1.215 33.764 32.500 0.082 0.000 1.046 267 K HN 0.811 nan 8.250 nan 0.000 0.474 268 G N 0.488 109.300 108.800 0.020 0.000 2.949 268 G HA2 0.337 4.295 3.960 -0.004 0.000 0.285 268 G HA3 0.337 4.295 3.960 -0.004 0.000 0.285 268 G C 0.148 174.889 174.900 -0.263 0.000 1.395 268 G CA -0.586 44.410 45.100 -0.172 0.000 0.901 268 G HN 0.661 nan 8.290 nan 0.000 0.519 269 C N -0.961 118.220 119.300 -0.197 0.000 3.336 269 C HA 0.575 5.033 4.460 -0.004 0.000 0.291 269 C C 0.410 175.304 174.990 -0.160 0.000 1.363 269 C CA -0.273 58.663 59.018 -0.137 0.000 1.737 269 C CB -1.191 26.556 27.740 0.012 0.000 2.274 269 C HN 0.800 nan 8.230 nan 0.000 0.663 270 V N -1.455 118.282 119.914 -0.295 0.000 2.525 270 V HA 0.663 4.781 4.120 -0.004 0.000 0.299 270 V C -1.422 174.449 176.094 -0.372 0.000 1.034 270 V CA -0.663 61.504 62.300 -0.222 0.000 0.863 270 V CB 0.431 32.213 31.823 -0.069 0.000 0.999 270 V HN 0.272 nan 8.190 nan 0.000 0.423 271 Y N 2.860 123.185 120.300 0.042 0.000 2.387 271 Y HA 0.777 5.325 4.550 -0.003 0.000 0.336 271 Y C 1.343 177.262 175.900 0.031 0.000 1.067 271 Y CA 0.337 58.457 58.100 0.033 0.000 1.114 271 Y CB 2.053 40.531 38.460 0.030 0.000 1.208 271 Y HN 1.135 nan 8.280 nan 0.000 0.458 272 G N 1.246 110.154 108.800 0.180 0.000 2.175 272 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.244 272 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.244 272 G C 0.078 175.024 174.900 0.077 0.000 0.982 272 G CA -0.270 44.901 45.100 0.119 0.000 0.641 272 G HN 0.525 nan 8.290 nan 0.000 0.527 273 Q N 1.553 121.382 119.800 0.047 0.000 2.344 273 Q HA 0.434 4.772 4.340 -0.004 0.000 0.253 273 Q C 1.328 177.341 176.000 0.022 0.000 1.050 273 Q CA 0.919 56.731 55.803 0.016 0.000 0.912 273 Q CB 0.570 29.287 28.738 -0.035 0.000 1.258 273 Q HN 0.579 nan 8.270 nan 0.000 0.443 274 T N -0.185 114.392 114.554 0.037 0.000 3.044 274 T HA 0.306 4.654 4.350 -0.004 0.000 0.260 274 T C 1.339 176.059 174.700 0.033 0.000 1.019 274 T CA 0.362 62.487 62.100 0.042 0.000 0.921 274 T CB 0.469 69.373 68.868 0.060 0.000 1.053 274 T HN 0.379 nan 8.240 nan 0.000 0.533 275 A N 1.591 124.424 122.820 0.021 0.000 1.873 275 A HA 0.363 4.680 4.320 -0.004 0.000 0.215 275 A C 1.093 178.674 177.584 -0.006 0.000 1.186 275 A CA 0.781 52.827 52.037 0.016 0.000 0.616 275 A CB -0.427 18.577 19.000 0.007 0.000 0.823 275 A HN 0.438 nan 8.150 nan 0.000 0.442 276 V N 2.240 122.137 119.914 -0.028 0.000 2.313 276 V HA 0.204 4.322 4.120 -0.004 0.000 0.278 276 V C -0.636 175.443 176.094 -0.024 0.000 1.017 276 V CA -0.860 61.418 62.300 -0.037 0.000 0.823 276 V CB 1.170 32.952 31.823 -0.067 0.000 1.010 276 V HN 0.452 nan 8.190 nan 0.000 0.443 277 Q N 3.152 122.944 119.800 -0.012 0.000 2.337 277 Q HA 0.240 4.577 4.340 -0.004 0.000 0.270 277 Q C -0.296 175.698 176.000 -0.009 0.000 1.002 277 Q CA -0.360 55.441 55.803 -0.002 0.000 0.888 277 Q CB 1.845 30.581 28.738 -0.003 0.000 1.222 277 Q HN 0.676 nan 8.270 nan 0.000 0.400 278 L N 1.446 122.669 121.223 -0.001 0.000 2.331 278 L HA 0.299 4.637 4.340 -0.004 0.000 0.278 278 L C -0.293 176.579 176.870 0.003 0.000 1.106 278 L CA 0.447 55.284 54.840 -0.006 0.000 0.824 278 L CB 1.414 43.468 42.059 -0.007 0.000 1.142 278 L HN 0.449 nan 8.230 nan 0.000 0.443 279 S N 4.630 120.329 115.700 -0.000 0.000 2.532 279 S HA 0.840 5.308 4.470 -0.004 0.000 0.301 279 S C -0.747 173.874 174.600 0.035 0.000 1.083 279 S CA -0.773 57.437 58.200 0.016 0.000 1.025 279 S CB 0.993 64.194 63.200 0.003 0.000 1.056 279 S HN 0.743 nan 8.310 nan 0.000 0.494 280 L N 1.823 123.091 121.223 0.076 0.000 2.323 280 L HA 1.145 5.482 4.340 -0.004 0.000 0.265 280 L C 0.101 177.056 176.870 0.143 0.000 1.012 280 L CA -0.415 54.512 54.840 0.145 0.000 0.820 280 L CB 1.489 43.685 42.059 0.228 0.000 1.334 280 L HN 0.778 nan 8.230 nan 0.000 0.427 281 G N -0.188 108.707 108.800 0.157 0.000 2.430 281 G HA2 0.612 4.570 3.960 -0.004 0.000 0.300 281 G HA3 0.612 4.570 3.960 -0.004 0.000 0.300 281 G C -3.403 171.520 174.900 0.038 0.000 1.330 281 G CA -0.772 44.376 45.100 0.080 0.000 0.813 281 G HN 0.588 nan 8.290 nan 0.000 0.487 282 P HA 0.620 nan 4.420 nan 0.000 0.290 282 P C -0.900 176.384 177.300 -0.027 0.000 1.275 282 P CA -0.450 62.627 63.100 -0.039 0.000 0.841 282 P CB 1.604 33.265 31.700 -0.064 0.000 1.042 283 M N 1.692 121.273 119.600 -0.032 0.000 2.464 283 M HA 0.781 5.259 4.480 -0.004 0.000 0.308 283 M C -0.508 175.781 176.300 -0.019 0.000 1.127 283 M CA -0.366 54.925 55.300 -0.015 0.000 0.913 283 M CB 2.724 35.324 32.600 0.000 0.000 1.689 283 M HN 0.491 nan 8.290 nan 0.000 0.445 284 A N 1.479 124.297 122.820 -0.004 0.000 2.544 284 A HA 0.561 4.879 4.320 -0.004 0.000 0.291 284 A C -0.364 177.233 177.584 0.023 0.000 1.055 284 A CA -0.782 51.254 52.037 -0.002 0.000 0.651 284 A CB 1.234 20.219 19.000 -0.024 0.000 1.296 284 A HN 0.907 nan 8.150 nan 0.000 0.431 285 R N -0.280 120.239 120.500 0.032 0.000 2.153 285 R HA 0.052 4.390 4.340 -0.004 0.000 0.218 285 R C -0.504 175.823 176.300 0.046 0.000 1.072 285 R CA 1.680 57.812 56.100 0.054 0.000 0.990 285 R CB -0.105 30.235 30.300 0.067 0.000 0.889 285 R HN 0.856 nan 8.270 nan 0.000 0.452 286 D N -2.108 118.311 120.400 0.032 0.000 2.531 286 D HA 0.084 4.722 4.640 -0.004 0.000 0.244 286 D C 0.510 176.826 176.300 0.026 0.000 1.090 286 D CA -0.769 53.251 54.000 0.034 0.000 0.989 286 D CB 1.399 42.224 40.800 0.042 0.000 1.433 286 D HN -0.196 nan 8.370 nan 0.000 0.492 287 V N -0.353 119.585 119.914 0.040 0.000 2.871 287 V HA -0.076 4.041 4.120 -0.004 0.000 0.256 287 V C 1.773 177.897 176.094 0.051 0.000 1.082 287 V CA 1.854 64.180 62.300 0.042 0.000 1.105 287 V CB -0.476 31.385 31.823 0.064 0.000 0.713 287 V HN 0.658 nan 8.190 nan 0.000 0.473 288 E N 1.261 121.520 120.200 0.098 0.000 2.130 288 E HA -0.175 4.173 4.350 -0.004 0.000 0.196 288 E C 2.195 178.787 176.600 -0.014 0.000 0.998 288 E CA 2.091 58.557 56.400 0.111 0.000 0.806 288 E CB -0.517 29.255 29.700 0.120 0.000 0.738 288 E HN 0.715 nan 8.360 nan 0.000 0.459 289 S N -0.203 115.482 115.700 -0.025 0.000 2.383 289 S HA -0.059 4.409 4.470 -0.004 0.000 0.227 289 S C 1.870 176.403 174.600 -0.111 0.000 1.026 289 S CA 0.999 59.161 58.200 -0.062 0.000 0.981 289 S CB -0.244 62.932 63.200 -0.040 0.000 0.818 289 S HN 0.270 nan 8.310 nan 0.000 0.472 290 L N 1.225 122.385 121.223 -0.105 0.000 2.046 290 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 290 L C 2.830 179.554 176.870 -0.244 0.000 1.077 290 L CA 1.265 56.027 54.840 -0.131 0.000 0.747 290 L CB -0.813 41.196 42.059 -0.084 0.000 0.896 290 L HN 0.319 nan 8.230 nan 0.000 0.432 291 A N -0.020 122.591 122.820 -0.349 0.000 1.902 291 A HA -0.184 4.134 4.320 -0.004 0.000 0.217 291 A C 2.329 179.486 177.584 -0.712 0.000 1.181 291 A CA 1.357 52.990 52.037 -0.674 0.000 0.623 291 A CB -0.683 17.700 19.000 -1.030 0.000 0.818 291 A HN 0.373 nan 8.150 nan 0.000 0.443 292 L N -0.763 120.225 121.223 -0.392 0.000 2.083 292 L HA -0.216 4.122 4.340 -0.004 0.000 0.209 292 L C 2.759 179.455 176.870 -0.291 0.000 1.083 292 L CA 1.803 56.468 54.840 -0.292 0.000 0.752 292 L CB -0.364 41.605 42.059 -0.150 0.000 0.899 292 L HN 0.654 nan 8.230 nan 0.000 0.433 293 C N -0.122 119.026 119.300 -0.255 0.000 2.453 293 C HA -0.154 4.304 4.460 -0.004 0.000 0.277 293 C C 2.733 177.591 174.990 -0.219 0.000 1.262 293 C CA 0.479 59.379 59.018 -0.197 0.000 1.718 293 C CB -0.842 26.807 27.740 -0.152 0.000 2.031 293 C HN 0.480 nan 8.230 nan 0.000 0.480 294 L N 0.747 121.795 121.223 -0.292 0.000 2.012 294 L HA -0.184 4.154 4.340 -0.004 0.000 0.210 294 L C 2.746 179.423 176.870 -0.322 0.000 1.073 294 L CA 2.253 56.940 54.840 -0.254 0.000 0.748 294 L CB -0.828 41.098 42.059 -0.222 0.000 0.891 294 L HN 0.446 nan 8.230 nan 0.000 0.431 295 K N -0.023 119.976 120.400 -0.668 0.000 2.113 295 K HA -0.222 4.096 4.320 -0.004 0.000 0.208 295 K C 2.013 178.519 176.600 -0.157 0.000 1.047 295 K CA 1.559 57.587 56.287 -0.431 0.000 0.928 295 K CB -0.064 32.146 32.500 -0.483 0.000 0.716 295 K HN 0.316 nan 8.250 nan 0.000 0.446 296 A N 0.410 123.126 122.820 -0.172 0.000 1.897 296 A HA -0.075 4.243 4.320 -0.004 0.000 0.215 296 A C 1.926 179.452 177.584 -0.096 0.000 1.181 296 A CA 0.956 52.929 52.037 -0.107 0.000 0.620 296 A CB -0.401 18.532 19.000 -0.110 0.000 0.821 296 A HN 0.255 nan 8.150 nan 0.000 0.443 297 L N -0.518 120.644 121.223 -0.103 0.000 2.156 297 L HA 0.085 4.423 4.340 -0.004 0.000 0.208 297 L C 0.902 177.688 176.870 -0.140 0.000 1.095 297 L CA 1.117 55.903 54.840 -0.091 0.000 0.770 297 L CB -0.737 41.292 42.059 -0.049 0.000 0.914 297 L HN 0.296 nan 8.230 nan 0.000 0.439 298 L N 0.600 121.768 121.223 -0.093 0.000 2.389 298 L HA 0.213 4.551 4.340 -0.004 0.000 0.265 298 L C -0.175 176.529 176.870 -0.276 0.000 1.167 298 L CA -0.498 54.278 54.840 -0.106 0.000 1.045 298 L CB -0.309 41.904 42.059 0.255 0.000 1.351 298 L HN 0.310 nan 8.230 nan 0.000 0.419 299 C N -1.749 117.105 119.300 -0.743 0.000 3.332 299 C HA 0.411 4.869 4.460 -0.004 0.000 0.329 299 C C 1.527 176.149 174.990 -0.613 0.000 1.434 299 C CA -0.803 57.944 59.018 -0.453 0.000 1.314 299 C CB 1.885 29.545 27.740 -0.133 0.000 1.664 299 C HN 0.517 nan 8.230 nan 0.000 0.457 300 E N 0.407 120.469 120.200 -0.231 0.000 2.130 300 E HA -0.185 4.163 4.350 -0.004 0.000 0.196 300 E C 1.886 178.367 176.600 -0.200 0.000 0.998 300 E CA 1.869 58.183 56.400 -0.144 0.000 0.806 300 E CB -0.452 29.162 29.700 -0.143 0.000 0.738 300 E HN 0.758 nan 8.360 nan 0.000 0.459 301 H N 0.088 119.078 119.070 -0.133 0.000 2.289 301 H HA -0.164 4.390 4.556 -0.003 0.000 0.296 301 H C 2.352 177.613 175.328 -0.113 0.000 1.091 301 H CA 1.586 57.574 56.048 -0.100 0.000 1.274 301 H CB -0.502 29.204 29.762 -0.094 0.000 1.364 301 H HN 0.139 nan 8.280 nan 0.000 0.490 302 L N 0.667 121.822 121.223 -0.114 0.000 2.027 302 L HA -0.124 4.214 4.340 -0.004 0.000 0.206 302 L C 2.095 178.983 176.870 0.031 0.000 1.074 302 L CA 1.425 56.200 54.840 -0.107 0.000 0.745 302 L CB -0.789 41.131 42.059 -0.233 0.000 0.898 302 L HN -0.067 nan 8.230 nan 0.000 0.433 303 F N -0.068 119.910 119.950 0.047 0.000 2.216 303 F HA -0.100 4.425 4.527 -0.003 0.000 0.300 303 F C 2.452 178.262 175.800 0.016 0.000 1.085 303 F CA 1.341 59.357 58.000 0.026 0.000 1.326 303 F CB -1.965 37.041 39.000 0.009 0.000 1.027 303 F HN 0.086 nan 8.300 nan 0.000 0.497 304 T N 0.720 115.371 114.554 0.162 0.000 2.701 304 T HA -0.100 4.248 4.350 -0.004 0.000 0.263 304 T C 2.302 177.049 174.700 0.078 0.000 1.040 304 T CA 1.100 63.254 62.100 0.089 0.000 1.147 304 T CB -0.601 68.290 68.868 0.038 0.000 0.865 304 T HN 0.163 nan 8.240 nan 0.000 0.426 305 L N 0.418 121.687 121.223 0.076 0.000 2.131 305 L HA 0.008 4.346 4.340 -0.004 0.000 0.210 305 L C 0.865 177.779 176.870 0.073 0.000 1.092 305 L CA 0.859 55.738 54.840 0.065 0.000 0.759 305 L CB -0.054 42.041 42.059 0.059 0.000 0.903 305 L HN 0.204 nan 8.230 nan 0.000 0.435 306 D N -1.254 119.206 120.400 0.100 0.000 2.363 306 D HA 0.190 4.828 4.640 -0.004 0.000 0.258 306 D C -2.014 174.359 176.300 0.121 0.000 1.259 306 D CA -1.862 52.200 54.000 0.104 0.000 0.921 306 D CB 1.324 42.191 40.800 0.112 0.000 1.201 306 D HN -0.166 nan 8.370 nan 0.000 0.524 307 P HA -0.069 nan 4.420 nan 0.000 0.228 307 P C 1.317 178.645 177.300 0.047 0.000 1.151 307 P CA 0.943 64.083 63.100 0.068 0.000 0.770 307 P CB 0.085 31.809 31.700 0.041 0.000 0.786 308 T N -4.240 110.350 114.554 0.060 0.000 3.055 308 T HA 0.023 4.371 4.350 -0.004 0.000 0.265 308 T C 0.780 175.517 174.700 0.062 0.000 1.111 308 T CA 0.190 62.321 62.100 0.052 0.000 1.118 308 T CB -0.896 68.008 68.868 0.061 0.000 0.909 308 T HN -0.177 nan 8.240 nan 0.000 0.501 309 V N 4.711 124.680 119.914 0.093 0.000 2.555 309 V HA 0.302 4.420 4.120 -0.004 0.000 0.286 309 V C -2.000 174.080 176.094 -0.023 0.000 1.044 309 V CA -2.083 60.283 62.300 0.110 0.000 1.026 309 V CB 0.857 32.816 31.823 0.226 0.000 0.981 309 V HN 0.355 nan 8.190 nan 0.000 0.480 310 P HA 0.174 nan 4.420 nan 0.000 0.271 310 P C -2.547 174.435 177.300 -0.531 0.000 1.220 310 P CA -1.679 61.234 63.100 -0.312 0.000 0.768 310 P CB 0.167 31.592 31.700 -0.459 0.000 0.848 311 P HA 0.182 nan 4.420 nan 0.000 0.237 311 P C -0.503 176.233 177.300 -0.939 0.000 1.788 311 P CA 0.133 62.337 63.100 -1.494 0.000 1.061 311 P CB -0.072 31.096 31.700 -0.887 0.000 1.967 312 L N 4.975 125.812 121.223 -0.643 0.000 2.264 312 L HA 0.372 4.709 4.340 -0.004 0.000 0.287 312 L C -1.734 175.192 176.870 0.095 0.000 1.039 312 L CA -2.211 52.506 54.840 -0.206 0.000 0.829 312 L CB 1.324 43.302 42.059 -0.135 0.000 1.211 312 L HN 0.078 nan 8.230 nan 0.000 0.427 313 P HA 0.002 nan 4.420 nan 0.000 0.274 313 P C -0.640 176.800 177.300 0.234 0.000 1.246 313 P CA -0.448 62.823 63.100 0.285 0.000 0.795 313 P CB 0.718 32.539 31.700 0.201 0.000 1.006 314 F N 2.550 122.579 119.950 0.132 0.000 2.502 314 F HA 0.127 4.652 4.527 -0.004 0.000 0.371 314 F C 0.949 176.799 175.800 0.084 0.000 1.083 314 F CA -0.152 57.903 58.000 0.092 0.000 1.174 314 F CB 0.262 39.297 39.000 0.059 0.000 1.096 314 F HN 0.099 nan 8.300 nan 0.000 0.545 315 R N 5.726 125.941 120.500 -0.476 0.000 2.408 315 R HA 0.039 4.377 4.340 -0.004 0.000 0.308 315 R C 0.995 177.039 176.300 -0.425 0.000 1.210 315 R CA -0.178 55.737 56.100 -0.308 0.000 1.115 315 R CB 0.511 30.696 30.300 -0.192 0.000 1.127 315 R HN 0.772 nan 8.270 nan 0.000 0.523 316 E N 2.802 122.911 120.200 -0.152 0.000 2.085 316 E HA -0.254 4.094 4.350 -0.004 0.000 0.194 316 E C 1.769 178.409 176.600 0.067 0.000 0.994 316 E CA 1.849 58.312 56.400 0.104 0.000 0.801 316 E CB 0.288 30.151 29.700 0.271 0.000 0.743 316 E HN 0.569 nan 8.360 nan 0.000 0.453 317 E N 0.315 120.524 120.200 0.015 0.000 2.160 317 E HA -0.187 4.161 4.350 -0.004 0.000 0.195 317 E C 2.095 178.688 176.600 -0.012 0.000 0.991 317 E CA 1.504 57.907 56.400 0.005 0.000 0.810 317 E CB -0.444 29.256 29.700 -0.001 0.000 0.742 317 E HN 0.292 nan 8.360 nan 0.000 0.466 318 V N 0.685 120.578 119.914 -0.036 0.000 2.379 318 V HA -0.220 3.898 4.120 -0.004 0.000 0.245 318 V C 2.334 178.444 176.094 0.027 0.000 1.044 318 V CA 1.699 63.984 62.300 -0.026 0.000 1.036 318 V CB -0.930 30.856 31.823 -0.062 0.000 0.664 318 V HN 0.266 nan 8.190 nan 0.000 0.453 319 Y N 1.821 122.062 120.300 -0.097 0.000 2.224 319 Y HA -0.144 4.404 4.550 -0.004 0.000 0.289 319 Y C 2.453 178.391 175.900 0.064 0.000 1.146 319 Y CA 1.529 59.636 58.100 0.013 0.000 1.182 319 Y CB -0.177 38.355 38.460 0.120 0.000 0.983 319 Y HN 0.097 nan 8.280 nan 0.000 0.524 320 R N 0.296 120.687 120.500 -0.182 0.000 2.297 320 R HA 0.071 4.409 4.340 -0.004 0.000 0.197 320 R C 1.067 177.287 176.300 -0.134 0.000 0.943 320 R CA 0.560 56.501 56.100 -0.265 0.000 1.038 320 R CB -0.283 29.947 30.300 -0.116 0.000 0.957 320 R HN 0.214 nan 8.270 nan 0.000 0.484 321 S N 1.581 117.239 115.700 -0.070 0.000 2.558 321 S HA -0.043 4.425 4.470 -0.004 0.000 0.293 321 S C 0.864 175.454 174.600 -0.018 0.000 1.292 321 S CA -0.009 58.175 58.200 -0.027 0.000 1.063 321 S CB 0.518 63.716 63.200 -0.003 0.000 0.831 321 S HN 0.371 nan 8.310 nan 0.000 0.499 322 S N 4.284 119.984 115.700 0.001 0.000 2.711 322 S HA 0.383 4.850 4.470 -0.004 0.000 0.247 322 S C 0.116 174.743 174.600 0.045 0.000 1.079 322 S CA -0.784 57.432 58.200 0.026 0.000 1.050 322 S CB 0.058 63.263 63.200 0.007 0.000 0.885 322 S HN 0.712 nan 8.310 nan 0.000 0.498 323 R N 1.860 122.389 120.500 0.050 0.000 2.531 323 R HA 0.425 4.763 4.340 -0.004 0.000 0.273 323 R C -2.601 173.767 176.300 0.114 0.000 1.070 323 R CA -1.780 54.352 56.100 0.052 0.000 1.112 323 R CB -0.004 30.317 30.300 0.034 0.000 1.049 323 R HN 0.210 nan 8.270 nan 0.000 0.508 324 P HA 0.010 nan 4.420 nan 0.000 0.269 324 P C -0.924 176.493 177.300 0.195 0.000 1.217 324 P CA 0.274 63.482 63.100 0.181 0.000 0.783 324 P CB 0.503 32.233 31.700 0.051 0.000 0.898 325 L N 1.881 123.282 121.223 0.297 0.000 2.365 325 L HA 0.474 4.811 4.340 -0.004 0.000 0.273 325 L C 0.517 177.366 176.870 -0.034 0.000 1.000 325 L CA -0.805 54.032 54.840 -0.005 0.000 0.819 325 L CB 1.934 43.830 42.059 -0.271 0.000 1.284 325 L HN 0.195 nan 8.230 nan 0.000 0.418 326 R N 2.239 122.684 120.500 -0.092 0.000 2.242 326 R HA 0.375 4.713 4.340 -0.004 0.000 0.334 326 R C -0.991 175.161 176.300 -0.247 0.000 1.071 326 R CA -0.363 55.663 56.100 -0.124 0.000 0.922 326 R CB 0.924 31.155 30.300 -0.115 0.000 1.023 326 R HN 0.288 nan 8.270 nan 0.000 0.458 327 V N 3.310 123.092 119.914 -0.220 0.000 2.293 327 V HA 0.275 4.393 4.120 -0.004 0.000 0.275 327 V C 0.852 176.851 176.094 -0.158 0.000 1.021 327 V CA -0.918 61.198 62.300 -0.306 0.000 0.815 327 V CB 1.396 33.053 31.823 -0.277 0.000 1.025 327 V HN 0.926 nan 8.190 nan 0.000 0.448 328 G N 4.224 112.839 108.800 -0.309 0.000 2.491 328 G HA2 0.375 4.332 3.960 -0.004 0.000 0.238 328 G HA3 0.375 4.332 3.960 -0.004 0.000 0.238 328 G C -0.814 174.142 174.900 0.093 0.000 1.277 328 G CA 0.160 45.146 45.100 -0.190 0.000 0.851 328 G HN 0.988 nan 8.290 nan 0.000 0.573 329 Y N 0.523 120.887 120.300 0.107 0.000 2.544 329 Y HA 0.671 5.219 4.550 -0.004 0.000 0.342 329 Y C -1.388 174.683 175.900 0.284 0.000 1.062 329 Y CA -2.177 55.999 58.100 0.126 0.000 1.023 329 Y CB 1.261 39.761 38.460 0.066 0.000 1.308 329 Y HN 0.802 nan 8.280 nan 0.000 0.457 330 Y N 0.390 120.814 120.300 0.207 0.000 2.512 330 Y HA 0.558 5.105 4.550 -0.004 0.000 0.348 330 Y C 0.351 176.425 175.900 0.289 0.000 0.990 330 Y CA -1.310 56.874 58.100 0.141 0.000 1.033 330 Y CB 2.073 40.606 38.460 0.122 0.000 1.259 330 Y HN 0.851 nan 8.280 nan 0.000 0.461 331 E N 0.857 121.293 120.200 0.394 0.000 2.415 331 E HA 0.110 4.458 4.350 -0.004 0.000 0.197 331 E C -0.362 176.442 176.600 0.341 0.000 1.007 331 E CA 0.783 57.364 56.400 0.302 0.000 0.890 331 E CB 0.559 30.427 29.700 0.279 0.000 0.891 331 E HN 0.777 nan 8.360 nan 0.000 0.496 332 T N -0.077 114.770 114.554 0.489 0.000 2.885 332 T HA 0.107 4.455 4.350 -0.004 0.000 0.322 332 T C -1.158 173.902 174.700 0.600 0.000 1.387 332 T CA -0.335 62.117 62.100 0.587 0.000 1.041 332 T CB 1.510 70.657 68.868 0.465 0.000 1.287 332 T HN 0.101 nan 8.240 nan 0.000 0.491 333 D N 1.549 122.266 120.400 0.527 0.000 2.388 333 D HA 0.147 4.785 4.640 -0.004 0.000 0.221 333 D C 0.477 176.823 176.300 0.078 0.000 1.133 333 D CA -0.285 53.813 54.000 0.163 0.000 0.831 333 D CB -1.008 39.763 40.800 -0.049 0.000 0.962 333 D HN 0.797 nan 8.370 nan 0.000 0.502 334 N N -1.119 117.623 118.700 0.071 0.000 2.678 334 N HA -0.328 4.410 4.740 -0.004 0.000 0.249 334 N C -0.373 175.184 175.510 0.078 0.000 1.119 334 N CA 1.027 53.904 53.050 -0.288 0.000 0.718 334 N CB -1.409 36.886 38.487 -0.319 0.000 1.060 334 N HN 0.455 nan 8.380 nan 0.000 0.552 335 Y N -0.938 119.532 120.300 0.284 0.000 2.886 335 Y HA 0.211 4.759 4.550 -0.003 0.000 0.244 335 Y C 0.418 176.647 175.900 0.550 0.000 1.017 335 Y CA 0.425 58.770 58.100 0.409 0.000 1.389 335 Y CB 0.966 39.492 38.460 0.109 0.000 1.477 335 Y HN -0.043 nan 8.280 nan 0.000 0.466 336 T N 3.344 118.192 114.554 0.490 0.000 2.853 336 T HA 0.263 4.611 4.350 -0.004 0.000 0.317 336 T C -0.413 174.552 174.700 0.441 0.000 1.059 336 T CA -0.460 61.887 62.100 0.413 0.000 0.954 336 T CB 0.419 69.529 68.868 0.403 0.000 0.994 336 T HN 0.229 nan 8.240 nan 0.000 0.479 337 M N 6.722 126.322 119.600 0.001 0.000 2.284 337 M HA 0.123 4.600 4.480 -0.004 0.000 0.351 337 M C -2.009 174.432 176.300 0.236 0.000 1.443 337 M CA -1.009 54.111 55.300 -0.299 0.000 1.031 337 M CB 0.594 32.535 32.600 -1.098 0.000 1.893 337 M HN 0.213 nan 8.290 nan 0.000 0.456 338 P HA 0.088 nan 4.420 nan 0.000 0.272 338 P C -0.961 176.520 177.300 0.303 0.000 1.223 338 P CA -0.311 62.953 63.100 0.273 0.000 0.784 338 P CB 0.468 32.273 31.700 0.175 0.000 0.923 339 S N 1.997 117.819 115.700 0.204 0.000 2.579 339 S HA 0.146 4.614 4.470 -0.004 0.000 0.275 339 S C -1.646 173.018 174.600 0.106 0.000 1.345 339 S CA -0.769 57.510 58.200 0.132 0.000 1.031 339 S CB -0.338 62.854 63.200 -0.013 0.000 0.892 339 S HN 0.279 nan 8.310 nan 0.000 0.529 340 P HA -0.152 nan 4.420 nan 0.000 0.216 340 P C 1.678 178.993 177.300 0.025 0.000 1.153 340 P CA 2.094 65.232 63.100 0.063 0.000 0.858 340 P CB -0.300 31.430 31.700 0.052 0.000 0.789 341 A N -1.025 121.795 122.820 -0.001 0.000 1.892 341 A HA -0.266 4.052 4.320 -0.004 0.000 0.218 341 A C 2.247 179.813 177.584 -0.029 0.000 1.188 341 A CA 2.475 54.496 52.037 -0.027 0.000 0.631 341 A CB -1.555 17.412 19.000 -0.055 0.000 0.822 341 A HN 0.131 nan 8.150 nan 0.000 0.447 342 M N -1.893 117.691 119.600 -0.026 0.000 2.086 342 M HA -0.152 4.326 4.480 -0.004 0.000 0.261 342 M C 2.376 178.662 176.300 -0.024 0.000 1.067 342 M CA 2.067 57.340 55.300 -0.044 0.000 1.116 342 M CB -0.265 32.297 32.600 -0.062 0.000 1.348 342 M HN 0.453 nan 8.290 nan 0.000 0.407 343 R N 0.404 120.914 120.500 0.017 0.000 2.094 343 R HA -0.177 4.160 4.340 -0.004 0.000 0.239 343 R C 2.219 178.531 176.300 0.021 0.000 1.137 343 R CA 1.993 58.118 56.100 0.041 0.000 0.943 343 R CB -0.353 29.988 30.300 0.068 0.000 0.850 343 R HN 0.232 nan 8.270 nan 0.000 0.433 344 R N -0.400 120.106 120.500 0.010 0.000 2.073 344 R HA -0.113 4.225 4.340 -0.004 0.000 0.234 344 R C 2.106 178.396 176.300 -0.017 0.000 1.134 344 R CA 1.600 57.699 56.100 -0.001 0.000 0.952 344 R CB -0.428 29.870 30.300 -0.004 0.000 0.850 344 R HN 0.353 nan 8.270 nan 0.000 0.433 345 A N 1.177 123.980 122.820 -0.028 0.000 1.883 345 A HA -0.206 4.111 4.320 -0.004 0.000 0.217 345 A C 2.131 179.688 177.584 -0.045 0.000 1.186 345 A CA 1.546 53.557 52.037 -0.043 0.000 0.624 345 A CB -0.670 18.296 19.000 -0.057 0.000 0.822 345 A HN 0.448 nan 8.150 nan 0.000 0.444 346 L N -0.494 120.706 121.223 -0.038 0.000 1.988 346 L HA -0.114 4.224 4.340 -0.004 0.000 0.207 346 L C 2.429 179.275 176.870 -0.039 0.000 1.071 346 L CA 1.684 56.504 54.840 -0.033 0.000 0.744 346 L CB -0.270 41.784 42.059 -0.008 0.000 0.893 346 L HN 0.437 nan 8.230 nan 0.000 0.433 347 I N -0.258 120.298 120.570 -0.023 0.000 2.194 347 I HA -0.347 3.820 4.170 -0.004 0.000 0.246 347 I C 2.445 178.527 176.117 -0.058 0.000 1.093 347 I CA 1.658 62.932 61.300 -0.043 0.000 1.355 347 I CB -0.382 37.614 38.000 -0.006 0.000 1.046 347 I HN 0.385 nan 8.210 nan 0.000 0.413 348 E N 0.044 120.221 120.200 -0.039 0.000 2.077 348 E HA -0.227 4.121 4.350 -0.004 0.000 0.193 348 E C 2.224 178.800 176.600 -0.040 0.000 0.989 348 E CA 2.017 58.396 56.400 -0.035 0.000 0.800 348 E CB -0.183 29.501 29.700 -0.027 0.000 0.746 348 E HN 0.610 nan 8.360 nan 0.000 0.452 349 T N -0.369 114.157 114.554 -0.047 0.000 2.951 349 T HA -0.099 4.249 4.350 -0.004 0.000 0.268 349 T C 1.822 176.499 174.700 -0.039 0.000 1.073 349 T CA 0.939 63.013 62.100 -0.043 0.000 1.134 349 T CB 0.048 68.879 68.868 -0.063 0.000 0.884 349 T HN -0.024 nan 8.240 nan 0.000 0.479 350 K N 0.991 121.341 120.400 -0.083 0.000 1.991 350 K HA -0.193 4.124 4.320 -0.004 0.000 0.212 350 K C 2.565 179.104 176.600 -0.101 0.000 1.049 350 K CA 1.843 58.038 56.287 -0.152 0.000 0.932 350 K CB -0.272 32.024 32.500 -0.340 0.000 0.717 350 K HN 0.512 nan 8.250 nan 0.000 0.441 351 Q N -0.219 119.530 119.800 -0.084 0.000 2.124 351 Q HA -0.109 4.228 4.340 -0.004 0.000 0.202 351 Q C 2.231 178.221 176.000 -0.016 0.000 0.977 351 Q CA 1.187 56.960 55.803 -0.049 0.000 0.850 351 Q CB -0.026 28.689 28.738 -0.038 0.000 0.901 351 Q HN 0.219 nan 8.270 nan 0.000 0.429 352 R N 0.412 120.909 120.500 -0.006 0.000 2.092 352 R HA -0.050 4.288 4.340 -0.004 0.000 0.231 352 R C 2.276 178.610 176.300 0.057 0.000 1.119 352 R CA 0.863 56.972 56.100 0.016 0.000 0.970 352 R CB -0.451 29.855 30.300 0.010 0.000 0.864 352 R HN 0.308 nan 8.270 nan 0.000 0.440 353 L N 0.816 122.089 121.223 0.084 0.000 2.046 353 L HA -0.166 4.172 4.340 -0.004 0.000 0.208 353 L C 2.415 179.397 176.870 0.186 0.000 1.077 353 L CA 1.424 56.388 54.840 0.207 0.000 0.747 353 L CB -0.355 41.815 42.059 0.183 0.000 0.896 353 L HN 0.212 nan 8.230 nan 0.000 0.432 354 E N -0.032 120.213 120.200 0.076 0.000 2.051 354 E HA -0.249 4.099 4.350 -0.004 0.000 0.192 354 E C 2.295 178.901 176.600 0.009 0.000 0.991 354 E CA 1.200 57.623 56.400 0.037 0.000 0.799 354 E CB -0.194 29.506 29.700 0.001 0.000 0.748 354 E HN 0.505 nan 8.360 nan 0.000 0.449 355 A N 1.331 124.154 122.820 0.006 0.000 1.978 355 A HA -0.125 4.193 4.320 -0.004 0.000 0.220 355 A C 2.223 179.791 177.584 -0.027 0.000 1.170 355 A CA 1.640 53.672 52.037 -0.009 0.000 0.636 355 A CB -0.426 18.573 19.000 -0.003 0.000 0.810 355 A HN 0.272 nan 8.150 nan 0.000 0.448 356 A N -1.644 121.161 122.820 -0.025 0.000 2.259 356 A HA 0.423 4.741 4.320 -0.004 0.000 0.208 356 A C 1.624 179.038 177.584 -0.284 0.000 1.201 356 A CA 1.068 53.047 52.037 -0.097 0.000 0.824 356 A CB -1.132 17.863 19.000 -0.008 0.000 0.838 356 A HN 1.931 nan 8.150 nan 0.000 0.485 357 G N -0.672 108.011 108.800 -0.196 0.000 2.137 357 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.237 357 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.237 357 G C -0.089 174.667 174.900 -0.239 0.000 1.002 357 G CA 0.189 45.172 45.100 -0.196 0.000 0.702 357 G HN 0.687 nan 8.290 nan 0.000 0.515 358 H N 0.377 119.448 119.070 0.002 0.000 2.472 358 H HA 0.505 5.059 4.556 -0.004 0.000 0.335 358 H C 0.271 175.592 175.328 -0.011 0.000 1.136 358 H CA 0.410 56.455 56.048 -0.005 0.000 1.264 358 H CB 1.272 31.038 29.762 0.007 0.000 1.486 358 H HN 0.164 nan 8.280 nan 0.000 0.517 359 T N 4.140 118.759 114.554 0.108 0.000 2.771 359 T HA 0.260 4.608 4.350 -0.004 0.000 0.291 359 T C 0.500 175.231 174.700 0.052 0.000 0.954 359 T CA -0.763 61.371 62.100 0.057 0.000 1.045 359 T CB 0.568 69.454 68.868 0.029 0.000 0.917 359 T HN 0.155 nan 8.240 nan 0.000 0.484 360 L N 4.452 125.721 121.223 0.078 0.000 2.287 360 L HA 0.533 4.870 4.340 -0.004 0.000 0.287 360 L C -0.524 176.502 176.870 0.259 0.000 1.022 360 L CA -0.588 54.339 54.840 0.143 0.000 0.814 360 L CB 1.198 43.279 42.059 0.036 0.000 1.217 360 L HN 0.632 nan 8.230 nan 0.000 0.420 361 I N 5.535 126.250 120.570 0.242 0.000 2.406 361 I HA 0.351 4.519 4.170 -0.004 0.000 0.290 361 I C -2.178 173.938 176.117 -0.002 0.000 0.999 361 I CA -1.945 59.433 61.300 0.130 0.000 1.124 361 I CB 1.799 39.811 38.000 0.021 0.000 1.289 361 I HN 0.325 nan 8.210 nan 0.000 0.441 362 P HA 0.074 nan 4.420 nan 0.000 0.262 362 P C -1.078 176.170 177.300 -0.086 0.000 1.199 362 P CA 0.382 63.225 63.100 -0.427 0.000 0.763 362 P CB 0.066 31.613 31.700 -0.255 0.000 0.790 363 F N 5.239 125.048 119.950 -0.235 0.000 2.604 363 F HA 0.564 5.089 4.527 -0.004 0.000 0.316 363 F C -2.159 173.625 175.800 -0.027 0.000 1.136 363 F CA -1.019 56.917 58.000 -0.106 0.000 0.989 363 F CB 1.344 40.278 39.000 -0.110 0.000 1.258 363 F HN 0.064 nan 8.300 nan 0.000 0.451 364 L N 8.320 129.153 121.223 -0.650 0.000 2.441 364 L HA 0.692 5.029 4.340 -0.004 0.000 0.270 364 L C -2.656 173.770 176.870 -0.740 0.000 0.973 364 L CA -1.982 52.488 54.840 -0.617 0.000 0.842 364 L CB 1.805 43.596 42.059 -0.446 0.000 1.239 364 L HN 0.350 nan 8.230 nan 0.000 0.406 365 P HA 0.141 nan 4.420 nan 0.000 0.265 365 P C -1.106 176.072 177.300 -0.203 0.000 1.193 365 P CA 0.009 62.941 63.100 -0.280 0.000 0.765 365 P CB 0.174 31.849 31.700 -0.042 0.000 0.823 366 N N 1.854 120.482 118.700 -0.121 0.000 2.416 366 N HA -0.034 4.704 4.740 -0.004 0.000 0.246 366 N C -0.051 175.522 175.510 0.105 0.000 1.260 366 N CA -0.345 52.686 53.050 -0.031 0.000 0.897 366 N CB -0.342 38.145 38.487 0.001 0.000 1.110 366 N HN 0.276 nan 8.380 nan 0.000 0.439 367 N N -0.077 118.646 118.700 0.038 0.000 2.705 367 N HA -0.210 4.528 4.740 -0.004 0.000 0.255 367 N C 0.185 175.688 175.510 -0.012 0.000 1.008 367 N CA 0.629 53.706 53.050 0.044 0.000 0.742 367 N CB -0.947 37.594 38.487 0.089 0.000 0.906 367 N HN 0.635 nan 8.380 nan 0.000 0.541 368 I N 0.624 121.158 120.570 -0.060 0.000 2.163 368 I HA -0.187 3.981 4.170 -0.004 0.000 0.243 368 I C -0.473 175.518 176.117 -0.210 0.000 1.085 368 I CA 1.350 62.556 61.300 -0.157 0.000 1.347 368 I CB -0.948 36.941 38.000 -0.185 0.000 1.044 368 I HN 0.185 nan 8.210 nan 0.000 0.408 369 P HA -0.261 nan 4.420 nan 0.000 0.216 369 P C 1.581 178.840 177.300 -0.069 0.000 1.157 369 P CA 1.688 64.767 63.100 -0.035 0.000 0.880 369 P CB -0.199 31.592 31.700 0.151 0.000 0.791 370 Y N 0.774 120.973 120.300 -0.167 0.000 2.097 370 Y HA -0.209 4.339 4.550 -0.004 0.000 0.282 370 Y C 2.411 178.123 175.900 -0.315 0.000 1.152 370 Y CA 1.797 59.775 58.100 -0.204 0.000 1.136 370 Y CB -1.229 37.108 38.460 -0.206 0.000 0.975 370 Y HN -0.107 nan 8.280 nan 0.000 0.498 371 A N 0.089 122.529 122.820 -0.634 0.000 1.978 371 A HA -0.146 4.172 4.320 -0.004 0.000 0.220 371 A C 2.295 179.577 177.584 -0.504 0.000 1.170 371 A CA 1.973 53.540 52.037 -0.783 0.000 0.636 371 A CB -0.977 17.532 19.000 -0.818 0.000 0.810 371 A HN 0.581 nan 8.150 nan 0.000 0.448 372 L N -1.608 119.365 121.223 -0.418 0.000 2.121 372 L HA -0.037 4.300 4.340 -0.004 0.000 0.200 372 L C 2.578 179.318 176.870 -0.215 0.000 1.077 372 L CA 1.140 55.770 54.840 -0.350 0.000 0.766 372 L CB -0.564 41.176 42.059 -0.531 0.000 0.931 372 L HN 0.374 nan 8.230 nan 0.000 0.452 373 E N -0.455 119.645 120.200 -0.167 0.000 2.107 373 E HA -0.183 4.165 4.350 -0.004 0.000 0.191 373 E C 2.025 178.613 176.600 -0.021 0.000 0.982 373 E CA 1.451 57.854 56.400 0.005 0.000 0.809 373 E CB 0.172 29.919 29.700 0.078 0.000 0.756 373 E HN 0.368 nan 8.360 nan 0.000 0.459 374 V N -0.352 119.457 119.914 -0.174 0.000 2.743 374 V HA 0.006 4.123 4.120 -0.004 0.000 0.237 374 V C 1.840 177.769 176.094 -0.274 0.000 1.113 374 V CA 0.441 62.628 62.300 -0.189 0.000 1.141 374 V CB -0.144 31.593 31.823 -0.144 0.000 0.873 374 V HN 0.147 nan 8.190 nan 0.000 0.486 375 L N 0.640 121.568 121.223 -0.492 0.000 2.027 375 L HA -0.053 4.285 4.340 -0.004 0.000 0.206 375 L C 2.778 179.510 176.870 -0.229 0.000 1.074 375 L CA 2.017 56.621 54.840 -0.393 0.000 0.745 375 L CB -0.756 40.979 42.059 -0.539 0.000 0.898 375 L HN 0.358 nan 8.230 nan 0.000 0.433 376 S N -0.836 114.732 115.700 -0.219 0.000 2.348 376 S HA -0.128 4.340 4.470 -0.004 0.000 0.219 376 S C 2.020 176.572 174.600 -0.079 0.000 1.033 376 S CA 1.639 59.752 58.200 -0.144 0.000 0.974 376 S CB -0.219 62.892 63.200 -0.149 0.000 0.868 376 S HN 0.385 nan 8.310 nan 0.000 0.459 377 T N 1.613 116.167 114.554 -0.001 0.000 2.746 377 T HA -0.052 4.296 4.350 -0.004 0.000 0.267 377 T C 2.004 176.740 174.700 0.060 0.000 1.039 377 T CA 1.378 63.557 62.100 0.133 0.000 1.142 377 T CB -0.770 68.258 68.868 0.268 0.000 0.866 377 T HN 0.535 nan 8.240 nan 0.000 0.444 378 G N 0.627 109.426 108.800 -0.002 0.000 2.422 378 G HA2 0.038 3.996 3.960 -0.004 0.000 0.218 378 G HA3 0.038 3.996 3.960 -0.004 0.000 0.218 378 G C 1.667 176.542 174.900 -0.041 0.000 1.140 378 G CA 0.827 45.922 45.100 -0.009 0.000 0.775 378 G HN 0.561 nan 8.290 nan 0.000 0.545 379 G N 0.831 109.583 108.800 -0.080 0.000 2.394 379 G HA2 -0.074 3.884 3.960 -0.004 0.000 0.215 379 G HA3 -0.074 3.884 3.960 -0.004 0.000 0.215 379 G C 1.745 176.552 174.900 -0.155 0.000 1.165 379 G CA 0.484 45.530 45.100 -0.089 0.000 0.784 379 G HN 0.409 nan 8.290 nan 0.000 0.535 380 L N -1.049 120.010 121.223 -0.274 0.000 2.156 380 L HA 0.203 4.540 4.340 -0.004 0.000 0.208 380 L C 1.076 177.441 176.870 -0.842 0.000 1.095 380 L CA 0.518 55.008 54.840 -0.583 0.000 0.770 380 L CB 0.017 41.619 42.059 -0.761 0.000 0.914 380 L HN 0.115 nan 8.230 nan 0.000 0.439 381 F N -1.632 118.254 119.950 -0.106 0.000 2.850 381 F HA 0.211 4.736 4.527 -0.003 0.000 0.329 381 F C 1.817 177.564 175.800 -0.088 0.000 1.182 381 F CA -0.503 57.417 58.000 -0.133 0.000 1.270 381 F CB -0.435 38.459 39.000 -0.177 0.000 0.979 381 F HN -0.166 nan 8.300 nan 0.000 0.506 382 S N 0.160 115.879 115.700 0.031 0.000 2.407 382 S HA -0.247 4.221 4.470 -0.004 0.000 0.235 382 S C 1.543 176.164 174.600 0.035 0.000 1.036 382 S CA 2.000 60.216 58.200 0.026 0.000 1.013 382 S CB -0.285 62.921 63.200 0.009 0.000 0.820 382 S HN 0.621 nan 8.310 nan 0.000 0.476 383 D N -0.141 120.288 120.400 0.048 0.000 2.395 383 D HA 0.266 4.903 4.640 -0.004 0.000 0.226 383 D C 1.108 177.430 176.300 0.037 0.000 1.146 383 D CA 0.464 54.487 54.000 0.039 0.000 0.830 383 D CB -0.511 40.313 40.800 0.040 0.000 0.958 383 D HN 0.377 nan 8.370 nan 0.000 0.501 384 G N -0.119 108.703 108.800 0.036 0.000 2.189 384 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.267 384 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.267 384 G C 1.189 176.056 174.900 -0.056 0.000 0.975 384 G CA 0.443 45.530 45.100 -0.021 0.000 0.644 384 G HN 1.448 nan 8.290 nan 0.000 0.537 385 G N -0.913 107.923 108.800 0.059 0.000 2.157 385 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.248 385 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.248 385 G C 0.921 175.882 174.900 0.101 0.000 0.979 385 G CA 1.350 46.510 45.100 0.101 0.000 0.650 385 G HN 1.120 nan 8.290 nan 0.000 0.529 386 R N 0.756 121.288 120.500 0.054 0.000 2.081 386 R HA 0.005 4.343 4.340 -0.004 0.000 0.235 386 R C 2.778 179.104 176.300 0.044 0.000 1.131 386 R CA 2.367 58.482 56.100 0.026 0.000 0.960 386 R CB -0.368 29.940 30.300 0.014 0.000 0.856 386 R HN 0.400 nan 8.270 nan 0.000 0.436 387 S N 0.279 116.023 115.700 0.073 0.000 2.368 387 S HA -0.162 4.306 4.470 -0.004 0.000 0.225 387 S C 1.482 176.144 174.600 0.103 0.000 1.030 387 S CA 1.293 59.537 58.200 0.073 0.000 0.999 387 S CB -0.466 62.779 63.200 0.074 0.000 0.844 387 S HN 0.363 nan 8.310 nan 0.000 0.459 388 F N 2.457 122.400 119.950 -0.012 0.000 2.095 388 F HA -0.050 4.475 4.527 -0.004 0.000 0.298 388 F C 1.820 177.661 175.800 0.068 0.000 1.104 388 F CA 1.162 59.165 58.000 0.005 0.000 1.232 388 F CB -0.555 38.434 39.000 -0.019 0.000 0.987 388 F HN 0.081 nan 8.300 nan 0.000 0.475 389 L N -0.162 121.023 121.223 -0.062 0.000 2.191 389 L HA -0.225 4.113 4.340 -0.004 0.000 0.212 389 L C 2.397 179.198 176.870 -0.114 0.000 1.103 389 L CA 1.057 55.797 54.840 -0.166 0.000 0.769 389 L CB -0.666 41.320 42.059 -0.120 0.000 0.908 389 L HN 0.207 nan 8.230 nan 0.000 0.438 390 Q N 0.345 120.084 119.800 -0.102 0.000 2.181 390 Q HA -0.184 4.153 4.340 -0.004 0.000 0.205 390 Q C 1.807 177.688 176.000 -0.199 0.000 0.980 390 Q CA 1.448 57.164 55.803 -0.145 0.000 0.862 390 Q CB -0.147 28.538 28.738 -0.088 0.000 0.905 390 Q HN 0.513 nan 8.270 nan 0.000 0.429 391 N N -1.133 117.466 118.700 -0.169 0.000 2.459 391 N HA -0.075 4.662 4.740 -0.004 0.000 0.181 391 N C 0.510 175.786 175.510 -0.391 0.000 1.046 391 N CA 0.676 53.564 53.050 -0.270 0.000 0.904 391 N CB 0.047 38.344 38.487 -0.317 0.000 0.964 391 N HN 0.310 nan 8.380 nan 0.000 0.444 392 F N 1.238 120.973 119.950 -0.359 0.000 2.749 392 F HA 0.198 4.723 4.527 -0.004 0.000 0.300 392 F C 0.727 176.327 175.800 -0.333 0.000 1.103 392 F CA -0.267 57.550 58.000 -0.305 0.000 1.342 392 F CB 0.384 39.212 39.000 -0.287 0.000 1.098 392 F HN -0.338 nan 8.300 nan 0.000 0.586 393 K N 1.019 121.209 120.400 -0.349 0.000 2.453 393 K HA 0.179 4.497 4.320 -0.004 0.000 0.280 393 K C 1.198 177.444 176.600 -0.591 0.000 1.045 393 K CA 0.942 56.828 56.287 -0.668 0.000 1.059 393 K CB 0.137 31.841 32.500 -1.328 0.000 0.901 393 K HN 0.405 nan 8.250 nan 0.000 0.475 394 G N 2.536 111.251 108.800 -0.142 0.000 2.253 394 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.251 394 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.251 394 G C 0.077 174.919 174.900 -0.096 0.000 0.998 394 G CA 0.258 45.437 45.100 0.132 0.000 0.621 394 G HN 0.648 nan 8.290 nan 0.000 0.524 395 D N -0.090 120.214 120.400 -0.159 0.000 2.253 395 D HA 0.569 5.207 4.640 -0.004 0.000 0.249 395 D C 0.648 176.856 176.300 -0.154 0.000 1.049 395 D CA -0.673 53.208 54.000 -0.198 0.000 0.929 395 D CB 0.396 41.073 40.800 -0.206 0.000 1.176 395 D HN 0.061 nan 8.370 nan 0.000 0.437 396 F N 0.528 120.483 119.950 0.009 0.000 2.496 396 F HA 0.106 4.631 4.527 -0.004 0.000 0.344 396 F C 0.916 176.771 175.800 0.091 0.000 1.155 396 F CA -0.328 57.696 58.000 0.039 0.000 1.302 396 F CB 0.743 39.753 39.000 0.016 0.000 1.159 396 F HN -0.090 nan 8.300 nan 0.000 0.595 397 V N 4.013 124.132 119.914 0.342 0.000 2.347 397 V HA 0.179 4.297 4.120 -0.004 0.000 0.280 397 V C -0.261 175.963 176.094 0.216 0.000 1.021 397 V CA -0.690 61.802 62.300 0.320 0.000 0.847 397 V CB 0.955 32.912 31.823 0.223 0.000 0.990 397 V HN 0.754 nan 8.190 nan 0.000 0.444 398 D N 7.337 127.862 120.400 0.208 0.000 2.443 398 D HA 0.150 4.788 4.640 -0.004 0.000 0.239 398 D C -1.618 174.735 176.300 0.089 0.000 1.136 398 D CA -1.121 52.951 54.000 0.119 0.000 0.879 398 D CB 2.223 43.090 40.800 0.113 0.000 1.195 398 D HN 0.390 nan 8.370 nan 0.000 0.443 399 P HA -0.138 nan 4.420 nan 0.000 0.217 399 P C 1.461 178.770 177.300 0.016 0.000 1.148 399 P CA 0.971 64.085 63.100 0.023 0.000 0.828 399 P CB -0.076 31.624 31.700 0.001 0.000 0.783 400 C N -3.216 116.094 119.300 0.018 0.000 2.522 400 C HA 0.124 4.582 4.460 -0.004 0.000 0.271 400 C C 2.077 177.070 174.990 0.005 0.000 1.425 400 C CA -0.182 58.830 59.018 -0.011 0.000 1.751 400 C CB -2.076 25.653 27.740 -0.019 0.000 1.775 400 C HN 0.045 nan 8.230 nan 0.000 0.557 401 L N 1.804 123.065 121.223 0.065 0.000 2.478 401 L HA 0.273 4.611 4.340 -0.004 0.000 0.223 401 L C 2.042 178.944 176.870 0.054 0.000 1.140 401 L CA 1.481 56.380 54.840 0.098 0.000 0.842 401 L CB -1.855 40.298 42.059 0.157 0.000 0.953 401 L HN 0.753 nan 8.230 nan 0.000 0.452 402 G N 0.106 108.921 108.800 0.024 0.000 2.566 402 G HA2 -0.354 3.604 3.960 -0.004 0.000 0.280 402 G HA3 -0.354 3.604 3.960 -0.004 0.000 0.280 402 G C 0.436 175.350 174.900 0.024 0.000 1.225 402 G CA 0.317 45.427 45.100 0.017 0.000 0.966 402 G HN 0.260 nan 8.290 nan 0.000 0.560 403 D N 0.584 121.004 120.400 0.034 0.000 2.325 403 D HA 0.236 4.874 4.640 -0.004 0.000 0.225 403 D C 2.204 178.511 176.300 0.011 0.000 1.096 403 D CA 0.093 54.106 54.000 0.022 0.000 0.844 403 D CB 0.378 41.201 40.800 0.038 0.000 0.925 403 D HN 0.327 nan 8.370 nan 0.000 0.513 404 L N 0.703 121.941 121.223 0.025 0.000 2.013 404 L HA -0.202 4.136 4.340 -0.004 0.000 0.212 404 L C 1.714 178.522 176.870 -0.104 0.000 1.073 404 L CA 1.640 56.484 54.840 0.008 0.000 0.753 404 L CB -0.248 41.861 42.059 0.083 0.000 0.890 404 L HN -0.027 nan 8.230 nan 0.000 0.432 405 I N -1.087 119.390 120.570 -0.155 0.000 2.252 405 I HA -0.227 3.941 4.170 -0.004 0.000 0.245 405 I C 2.496 178.493 176.117 -0.200 0.000 1.102 405 I CA 1.005 62.136 61.300 -0.282 0.000 1.385 405 I CB -1.483 36.233 38.000 -0.473 0.000 1.064 405 I HN 0.244 nan 8.210 nan 0.000 0.414 406 L N 0.498 121.641 121.223 -0.133 0.000 2.081 406 L HA -0.185 4.152 4.340 -0.004 0.000 0.212 406 L C 2.479 179.278 176.870 -0.119 0.000 1.080 406 L CA 1.812 56.588 54.840 -0.107 0.000 0.754 406 L CB -0.678 41.342 42.059 -0.066 0.000 0.893 406 L HN 0.152 nan 8.230 nan 0.000 0.433 407 I N -1.729 118.772 120.570 -0.114 0.000 2.277 407 I HA -0.266 3.902 4.170 -0.004 0.000 0.243 407 I C 2.230 178.229 176.117 -0.197 0.000 1.094 407 I CA 0.781 62.007 61.300 -0.123 0.000 1.393 407 I CB -0.185 37.766 38.000 -0.081 0.000 1.078 407 I HN 0.140 nan 8.210 nan 0.000 0.417 408 L N 0.247 121.316 121.223 -0.257 0.000 2.079 408 L HA -0.212 4.126 4.340 -0.004 0.000 0.210 408 L C 2.586 179.332 176.870 -0.207 0.000 1.081 408 L CA 1.402 56.062 54.840 -0.299 0.000 0.752 408 L CB -0.574 41.284 42.059 -0.334 0.000 0.896 408 L HN 0.173 nan 8.230 nan 0.000 0.433 409 R N -0.262 120.129 120.500 -0.180 0.000 2.189 409 R HA 0.023 4.360 4.340 -0.004 0.000 0.223 409 R C 0.565 176.776 176.300 -0.150 0.000 1.092 409 R CA 0.159 56.171 56.100 -0.148 0.000 0.989 409 R CB -0.225 29.992 30.300 -0.138 0.000 0.876 409 R HN 0.266 nan 8.270 nan 0.000 0.457 410 L N 3.170 124.291 121.223 -0.171 0.000 2.514 410 L HA 0.063 4.401 4.340 -0.004 0.000 0.280 410 L C -1.809 174.948 176.870 -0.188 0.000 1.223 410 L CA -1.611 53.107 54.840 -0.204 0.000 0.864 410 L CB -0.130 41.836 42.059 -0.155 0.000 1.118 410 L HN -0.070 nan 8.230 nan 0.000 0.494 411 P HA 0.010 nan 4.420 nan 0.000 0.272 411 P C 0.369 177.536 177.300 -0.221 0.000 1.230 411 P CA -0.308 62.681 63.100 -0.186 0.000 0.788 411 P CB 1.098 32.694 31.700 -0.172 0.000 0.949 412 S N 1.642 117.302 115.700 -0.065 0.000 2.359 412 S HA -0.121 4.347 4.470 -0.004 0.000 0.224 412 S C 1.615 176.209 174.600 -0.010 0.000 1.035 412 S CA 1.320 59.507 58.200 -0.022 0.000 1.018 412 S CB -0.834 62.398 63.200 0.053 0.000 0.876 412 S HN 0.683 nan 8.310 nan 0.000 0.448 413 W N -0.031 121.303 121.300 0.057 0.000 2.374 413 W HA -0.102 4.555 4.660 -0.004 0.000 0.288 413 W C 1.782 178.343 176.519 0.071 0.000 1.218 413 W CA 0.482 57.859 57.345 0.053 0.000 1.245 413 W CB -1.175 28.318 29.460 0.055 0.000 1.126 413 W HN 0.398 nan 8.180 nan 0.000 0.545 414 F N 2.432 121.699 119.950 -1.139 0.000 2.234 414 F HA 0.040 4.564 4.527 -0.004 0.000 0.296 414 F C 2.493 178.023 175.800 -0.451 0.000 1.089 414 F CA 1.773 59.133 58.000 -1.066 0.000 1.343 414 F CB -0.224 37.959 39.000 -1.362 0.000 1.040 414 F HN -0.309 nan 8.300 nan 0.000 0.498 415 K N -0.149 120.137 120.400 -0.190 0.000 2.032 415 K HA -0.198 4.120 4.320 -0.004 0.000 0.209 415 K C 2.288 178.795 176.600 -0.155 0.000 1.048 415 K CA 1.085 57.287 56.287 -0.142 0.000 0.927 415 K CB -0.251 32.179 32.500 -0.117 0.000 0.712 415 K HN 0.017 nan 8.250 nan 0.000 0.441 416 R N 1.196 121.630 120.500 -0.111 0.000 2.097 416 R HA -0.155 4.183 4.340 -0.004 0.000 0.236 416 R C 2.323 178.566 176.300 -0.095 0.000 1.135 416 R CA 1.493 57.559 56.100 -0.057 0.000 0.934 416 R CB -0.938 29.377 30.300 0.026 0.000 0.846 416 R HN 0.178 nan 8.270 nan 0.000 0.431 417 L N 0.969 122.107 121.223 -0.141 0.000 2.042 417 L HA -0.137 4.201 4.340 -0.004 0.000 0.210 417 L C 2.460 179.169 176.870 -0.267 0.000 1.076 417 L CA 1.493 56.231 54.840 -0.170 0.000 0.749 417 L CB -0.482 41.472 42.059 -0.176 0.000 0.893 417 L HN 0.204 nan 8.230 nan 0.000 0.432 418 L N -1.715 119.251 121.223 -0.428 0.000 2.027 418 L HA -0.214 4.124 4.340 -0.004 0.000 0.206 418 L C 2.699 179.472 176.870 -0.161 0.000 1.074 418 L CA 1.564 56.190 54.840 -0.356 0.000 0.745 418 L CB -0.378 41.445 42.059 -0.392 0.000 0.898 418 L HN 0.449 nan 8.230 nan 0.000 0.433 419 S N 0.109 115.733 115.700 -0.126 0.000 2.359 419 S HA -0.245 4.223 4.470 -0.004 0.000 0.223 419 S C 1.963 176.538 174.600 -0.042 0.000 1.039 419 S CA 1.638 59.803 58.200 -0.058 0.000 1.042 419 S CB -0.348 62.828 63.200 -0.041 0.000 0.915 419 S HN 0.399 nan 8.310 nan 0.000 0.439 420 L N 0.584 121.776 121.223 -0.052 0.000 2.141 420 L HA -0.054 4.284 4.340 -0.004 0.000 0.209 420 L C 2.473 179.323 176.870 -0.033 0.000 1.094 420 L CA 0.913 55.733 54.840 -0.033 0.000 0.763 420 L CB -0.509 41.533 42.059 -0.028 0.000 0.908 420 L HN 0.350 nan 8.230 nan 0.000 0.437 421 L N -1.062 120.131 121.223 -0.049 0.000 2.072 421 L HA -0.197 4.141 4.340 -0.004 0.000 0.205 421 L C 2.334 179.199 176.870 -0.008 0.000 1.079 421 L CA 0.695 55.514 54.840 -0.034 0.000 0.752 421 L CB -0.385 41.643 42.059 -0.052 0.000 0.906 421 L HN 0.184 nan 8.230 nan 0.000 0.436 422 L N -0.022 121.203 121.223 0.004 0.000 2.291 422 L HA -0.144 4.194 4.340 -0.004 0.000 0.214 422 L C 2.435 179.320 176.870 0.026 0.000 1.120 422 L CA 1.425 56.303 54.840 0.063 0.000 0.799 422 L CB -0.921 41.181 42.059 0.073 0.000 0.925 422 L HN 0.205 nan 8.230 nan 0.000 0.446 423 K N 0.310 120.708 120.400 -0.004 0.000 2.020 423 K HA -0.167 4.151 4.320 -0.004 0.000 0.212 423 K C -0.502 176.076 176.600 -0.038 0.000 1.050 423 K CA 1.796 58.076 56.287 -0.012 0.000 0.929 423 K CB -0.871 31.624 32.500 -0.009 0.000 0.714 423 K HN 0.238 nan 8.250 nan 0.000 0.443 424 P HA -0.143 nan 4.420 nan 0.000 0.220 424 P C 1.037 178.245 177.300 -0.154 0.000 1.148 424 P CA 1.049 64.100 63.100 -0.080 0.000 0.803 424 P CB 0.148 31.807 31.700 -0.069 0.000 0.782 425 L N -1.821 119.269 121.223 -0.222 0.000 2.187 425 L HA 0.184 4.522 4.340 -0.004 0.000 0.197 425 L C 1.303 177.736 176.870 -0.729 0.000 1.090 425 L CA 1.280 55.793 54.840 -0.546 0.000 0.781 425 L CB -1.463 40.212 42.059 -0.640 0.000 0.956 425 L HN -0.170 nan 8.230 nan 0.000 0.463 426 F N 0.761 120.671 119.950 -0.066 0.000 2.449 426 F HA 0.339 4.864 4.527 -0.004 0.000 0.329 426 F C -1.452 174.259 175.800 -0.149 0.000 1.245 426 F CA -1.608 56.322 58.000 -0.117 0.000 1.193 426 F CB 0.386 39.288 39.000 -0.164 0.000 1.425 426 F HN -0.005 nan 8.300 nan 0.000 0.544 427 P HA -0.209 nan 4.420 nan 0.000 0.216 427 P C 1.453 178.704 177.300 -0.082 0.000 1.150 427 P CA 1.540 64.632 63.100 -0.013 0.000 0.843 427 P CB 0.224 31.953 31.700 0.048 0.000 0.787 428 R N -1.040 119.303 120.500 -0.263 0.000 2.092 428 R HA -0.041 4.297 4.340 -0.004 0.000 0.231 428 R C 2.263 178.350 176.300 -0.354 0.000 1.119 428 R CA 1.046 56.911 56.100 -0.390 0.000 0.970 428 R CB -0.838 28.966 30.300 -0.827 0.000 0.864 428 R HN 0.216 nan 8.270 nan 0.000 0.440 429 L N 0.266 121.221 121.223 -0.446 0.000 2.095 429 L HA 0.008 4.346 4.340 -0.004 0.000 0.204 429 L C 2.539 179.414 176.870 0.009 0.000 1.080 429 L CA 1.644 56.316 54.840 -0.280 0.000 0.759 429 L CB -0.960 40.896 42.059 -0.338 0.000 0.914 429 L HN 0.096 nan 8.230 nan 0.000 0.439 430 A N 0.028 122.842 122.820 -0.009 0.000 1.873 430 A HA -0.236 4.081 4.320 -0.004 0.000 0.218 430 A C 2.537 180.155 177.584 0.057 0.000 1.193 430 A CA 2.290 54.340 52.037 0.021 0.000 0.629 430 A CB -1.139 17.868 19.000 0.012 0.000 0.826 430 A HN 0.380 nan 8.150 nan 0.000 0.447 431 A N -1.439 121.427 122.820 0.077 0.000 1.883 431 A HA -0.118 4.199 4.320 -0.004 0.000 0.217 431 A C 2.155 179.862 177.584 0.205 0.000 1.186 431 A CA 1.618 53.728 52.037 0.122 0.000 0.624 431 A CB -0.799 18.279 19.000 0.130 0.000 0.822 431 A HN 0.669 nan 8.150 nan 0.000 0.444 432 F N 0.344 120.351 119.950 0.096 0.000 2.046 432 F HA -0.209 4.315 4.527 -0.004 0.000 0.297 432 F C 2.113 177.966 175.800 0.088 0.000 1.123 432 F CA 1.697 59.794 58.000 0.162 0.000 1.199 432 F CB -0.137 39.061 39.000 0.331 0.000 0.972 432 F HN 0.152 nan 8.300 nan 0.000 0.474 433 L N 0.225 121.474 121.223 0.043 0.000 2.042 433 L HA -0.303 4.035 4.340 -0.004 0.000 0.210 433 L C 2.056 178.869 176.870 -0.095 0.000 1.076 433 L CA 1.793 56.570 54.840 -0.105 0.000 0.749 433 L CB -0.852 41.181 42.059 -0.043 0.000 0.893 433 L HN 0.246 nan 8.230 nan 0.000 0.432 434 N N -0.030 118.654 118.700 -0.026 0.000 2.381 434 N HA -0.141 4.596 4.740 -0.004 0.000 0.182 434 N C 1.249 176.751 175.510 -0.014 0.000 1.025 434 N CA 0.922 53.962 53.050 -0.017 0.000 0.888 434 N CB 0.058 38.552 38.487 0.012 0.000 0.965 434 N HN 0.259 nan 8.380 nan 0.000 0.438 435 N N -0.082 118.612 118.700 -0.011 0.000 2.230 435 N HA 0.092 4.830 4.740 -0.004 0.000 0.202 435 N C 0.023 175.527 175.510 -0.011 0.000 1.119 435 N CA 0.126 53.179 53.050 0.006 0.000 0.851 435 N CB 0.317 38.830 38.487 0.044 0.000 0.990 435 N HN 0.518 nan 8.380 nan 0.000 0.497 436 M N -1.172 118.376 119.600 -0.087 0.000 2.869 436 M HA 0.398 4.876 4.480 -0.004 0.000 0.353 436 M C -0.485 175.754 176.300 -0.101 0.000 1.224 436 M CA -0.411 54.825 55.300 -0.108 0.000 0.917 436 M CB 0.438 32.812 32.600 -0.378 0.000 1.322 436 M HN -0.279 nan 8.290 nan 0.000 0.516 437 R N 0.780 121.252 120.500 -0.046 0.000 2.758 437 R HA 0.702 5.040 4.340 -0.004 0.000 0.265 437 R C -2.799 173.497 176.300 -0.008 0.000 1.016 437 R CA -1.828 54.249 56.100 -0.037 0.000 1.040 437 R CB 0.762 31.047 30.300 -0.025 0.000 1.152 437 R HN 0.056 nan 8.270 nan 0.000 0.503 438 P HA 0.176 nan 4.420 nan 0.000 0.271 438 P C -1.000 176.304 177.300 0.007 0.000 1.218 438 P CA -0.261 62.843 63.100 0.006 0.000 0.780 438 P CB 0.705 32.410 31.700 0.008 0.000 0.901 439 R N 0.202 120.703 120.500 0.002 0.000 2.855 439 R HA 0.622 4.960 4.340 -0.004 0.000 0.266 439 R C -0.186 176.099 176.300 -0.026 0.000 1.034 439 R CA -0.900 55.196 56.100 -0.006 0.000 0.944 439 R CB 0.834 31.133 30.300 -0.002 0.000 1.219 439 R HN 0.441 nan 8.270 nan 0.000 0.474 440 S N 0.103 115.777 115.700 -0.044 0.000 2.600 440 S HA 0.290 4.757 4.470 -0.004 0.000 0.265 440 S C 1.221 175.741 174.600 -0.132 0.000 1.325 440 S CA -0.237 57.912 58.200 -0.084 0.000 1.002 440 S CB 1.393 64.536 63.200 -0.094 0.000 0.921 440 S HN 0.750 nan 8.310 nan 0.000 0.554 441 A N 0.622 123.319 122.820 -0.206 0.000 1.948 441 A HA -0.175 4.143 4.320 -0.004 0.000 0.220 441 A C 2.126 179.384 177.584 -0.544 0.000 1.177 441 A CA 1.865 53.689 52.037 -0.354 0.000 0.636 441 A CB -1.187 17.551 19.000 -0.436 0.000 0.815 441 A HN 1.012 nan 8.150 nan 0.000 0.449 442 E N -0.191 119.732 120.200 -0.461 0.000 2.058 442 E HA -0.251 4.097 4.350 -0.004 0.000 0.194 442 E C 1.977 178.512 176.600 -0.109 0.000 0.997 442 E CA 1.671 57.856 56.400 -0.357 0.000 0.801 442 E CB -0.126 29.454 29.700 -0.199 0.000 0.746 442 E HN 0.641 nan 8.360 nan 0.000 0.450 443 K N 0.347 120.707 120.400 -0.066 0.000 2.155 443 K HA -0.044 4.274 4.320 -0.004 0.000 0.203 443 K C 2.256 178.888 176.600 0.053 0.000 1.052 443 K CA 0.488 56.784 56.287 0.015 0.000 0.948 443 K CB -0.062 32.443 32.500 0.008 0.000 0.728 443 K HN 0.212 nan 8.250 nan 0.000 0.448 444 L N -0.047 121.188 121.223 0.020 0.000 2.017 444 L HA -0.209 4.128 4.340 -0.004 0.000 0.208 444 L C 1.879 178.885 176.870 0.227 0.000 1.073 444 L CA 1.426 56.317 54.840 0.085 0.000 0.745 444 L CB -0.261 41.830 42.059 0.054 0.000 0.894 444 L HN 0.370 nan 8.230 nan 0.000 0.432 445 W N 0.627 121.952 121.300 0.042 0.000 2.318 445 W HA -0.269 4.390 4.660 -0.003 0.000 0.313 445 W C 2.688 179.257 176.519 0.083 0.000 1.221 445 W CA 1.517 58.892 57.345 0.051 0.000 1.266 445 W CB -0.994 28.486 29.460 0.033 0.000 1.150 445 W HN 0.211 nan 8.180 nan 0.000 0.496 446 K N 0.109 120.704 120.400 0.325 0.000 2.032 446 K HA -0.222 4.096 4.320 -0.004 0.000 0.209 446 K C 2.154 178.885 176.600 0.219 0.000 1.048 446 K CA 1.742 58.181 56.287 0.253 0.000 0.927 446 K CB -0.621 31.988 32.500 0.182 0.000 0.712 446 K HN 0.050 nan 8.250 nan 0.000 0.441 447 L N 1.585 122.908 121.223 0.167 0.000 2.017 447 L HA -0.184 4.153 4.340 -0.004 0.000 0.208 447 L C 2.449 179.387 176.870 0.113 0.000 1.073 447 L CA 1.739 56.647 54.840 0.113 0.000 0.745 447 L CB -0.510 41.590 42.059 0.068 0.000 0.894 447 L HN 0.290 nan 8.230 nan 0.000 0.432 448 Q N -1.571 118.317 119.800 0.146 0.000 2.135 448 Q HA -0.306 4.032 4.340 -0.004 0.000 0.204 448 Q C 2.249 178.348 176.000 0.164 0.000 0.981 448 Q CA 1.890 57.774 55.803 0.134 0.000 0.856 448 Q CB -0.179 28.646 28.738 0.145 0.000 0.902 448 Q HN 0.680 nan 8.270 nan 0.000 0.425 449 H N 0.464 119.587 119.070 0.088 0.000 2.387 449 H HA -0.083 4.471 4.556 -0.003 0.000 0.299 449 H C 1.500 176.888 175.328 0.101 0.000 1.090 449 H CA 1.949 58.044 56.048 0.078 0.000 1.332 449 H CB 0.210 30.017 29.762 0.076 0.000 1.386 449 H HN 0.345 nan 8.280 nan 0.000 0.516 450 E N -0.018 120.193 120.200 0.018 0.000 2.072 450 E HA -0.125 4.223 4.350 -0.004 0.000 0.191 450 E C 2.453 179.100 176.600 0.079 0.000 0.985 450 E CA 1.236 57.644 56.400 0.015 0.000 0.801 450 E CB -0.065 29.727 29.700 0.153 0.000 0.750 450 E HN 0.519 nan 8.360 nan 0.000 0.452 451 I N 1.614 122.226 120.570 0.070 0.000 2.208 451 I HA -0.287 3.881 4.170 -0.004 0.000 0.245 451 I C 2.757 178.942 176.117 0.112 0.000 1.097 451 I CA 1.306 62.660 61.300 0.089 0.000 1.363 451 I CB -0.249 37.777 38.000 0.044 0.000 1.051 451 I HN 0.156 nan 8.210 nan 0.000 0.413 452 E N 1.049 121.296 120.200 0.078 0.000 2.031 452 E HA -0.249 4.099 4.350 -0.004 0.000 0.193 452 E C 2.385 179.014 176.600 0.048 0.000 0.994 452 E CA 1.434 57.880 56.400 0.077 0.000 0.800 452 E CB -0.047 29.726 29.700 0.122 0.000 0.752 452 E HN 0.396 nan 8.360 nan 0.000 0.447 453 M N -0.380 119.208 119.600 -0.021 0.000 2.175 453 M HA -0.155 4.323 4.480 -0.004 0.000 0.264 453 M C 2.193 178.526 176.300 0.055 0.000 1.063 453 M CA 1.289 56.577 55.300 -0.021 0.000 1.119 453 M CB -0.357 32.165 32.600 -0.129 0.000 1.377 453 M HN 0.268 nan 8.290 nan 0.000 0.415 454 Y N 0.846 121.149 120.300 0.005 0.000 2.128 454 Y HA -0.299 4.249 4.550 -0.004 0.000 0.284 454 Y C 2.624 178.543 175.900 0.031 0.000 1.154 454 Y CA 1.770 59.891 58.100 0.035 0.000 1.149 454 Y CB -0.145 38.344 38.460 0.048 0.000 0.976 454 Y HN 0.074 nan 8.280 nan 0.000 0.505 455 R N -0.084 120.367 120.500 -0.081 0.000 2.091 455 R HA -0.261 4.077 4.340 -0.004 0.000 0.238 455 R C 2.260 178.540 176.300 -0.032 0.000 1.136 455 R CA 2.086 58.137 56.100 -0.081 0.000 0.959 455 R CB -0.268 30.069 30.300 0.062 0.000 0.856 455 R HN 0.349 nan 8.270 nan 0.000 0.437 456 Q N -0.248 119.546 119.800 -0.010 0.000 2.230 456 Q HA -0.077 4.261 4.340 -0.004 0.000 0.202 456 Q C 1.991 177.991 176.000 0.000 0.000 0.963 456 Q CA 1.652 57.464 55.803 0.014 0.000 0.866 456 Q CB 0.091 28.845 28.738 0.026 0.000 0.931 456 Q HN 0.407 nan 8.270 nan 0.000 0.452 457 S N -1.606 114.060 115.700 -0.055 0.000 2.355 457 S HA -0.097 4.370 4.470 -0.004 0.000 0.222 457 S C 1.905 176.481 174.600 -0.040 0.000 1.031 457 S CA 1.270 59.442 58.200 -0.047 0.000 0.993 457 S CB -0.577 62.596 63.200 -0.046 0.000 0.859 457 S HN 0.181 nan 8.310 nan 0.000 0.453 458 V N 1.902 121.723 119.914 -0.155 0.000 2.427 458 V HA -0.055 4.063 4.120 -0.004 0.000 0.248 458 V C 2.476 178.752 176.094 0.302 0.000 1.051 458 V CA 1.688 64.000 62.300 0.019 0.000 1.048 458 V CB -0.733 30.987 31.823 -0.172 0.000 0.666 458 V HN 0.500 nan 8.190 nan 0.000 0.456 459 I N 0.381 121.087 120.570 0.226 0.000 2.226 459 I HA -0.243 3.924 4.170 -0.004 0.000 0.245 459 I C 2.679 178.923 176.117 0.212 0.000 1.100 459 I CA 1.435 62.852 61.300 0.196 0.000 1.374 459 I CB -0.551 37.475 38.000 0.043 0.000 1.057 459 I HN 0.297 nan 8.210 nan 0.000 0.413 460 A N 0.113 123.025 122.820 0.153 0.000 1.865 460 A HA -0.299 4.019 4.320 -0.004 0.000 0.217 460 A C 2.250 179.958 177.584 0.207 0.000 1.191 460 A CA 1.745 53.867 52.037 0.141 0.000 0.623 460 A CB -0.818 18.235 19.000 0.088 0.000 0.826 460 A HN 0.445 nan 8.150 nan 0.000 0.444 461 Q N -1.743 118.203 119.800 0.244 0.000 2.118 461 Q HA -0.259 4.079 4.340 -0.004 0.000 0.211 461 Q C 2.044 178.350 176.000 0.510 0.000 0.998 461 Q CA 1.959 57.967 55.803 0.342 0.000 0.872 461 Q CB -0.288 28.658 28.738 0.346 0.000 0.925 461 Q HN 0.923 nan 8.270 nan 0.000 0.414 462 W N 1.509 122.974 121.300 0.275 0.000 2.379 462 W HA -0.171 4.488 4.660 -0.002 0.000 0.307 462 W C 1.526 178.031 176.519 -0.023 0.000 1.200 462 W CA 1.342 58.700 57.345 0.022 0.000 1.297 462 W CB -0.088 29.386 29.460 0.022 0.000 1.140 462 W HN 0.075 nan 8.180 nan 0.000 0.507 463 K N 0.154 120.781 120.400 0.378 0.000 2.062 463 K HA -0.068 4.250 4.320 -0.004 0.000 0.205 463 K C 2.254 178.935 176.600 0.135 0.000 1.051 463 K CA 1.273 57.698 56.287 0.229 0.000 0.941 463 K CB -0.767 31.826 32.500 0.155 0.000 0.719 463 K HN 0.056 nan 8.250 nan 0.000 0.440 464 A N 1.450 124.354 122.820 0.140 0.000 1.948 464 A HA -0.204 4.114 4.320 -0.004 0.000 0.220 464 A C 2.090 179.724 177.584 0.083 0.000 1.177 464 A CA 1.781 53.880 52.037 0.103 0.000 0.636 464 A CB -0.336 18.732 19.000 0.113 0.000 0.815 464 A HN 0.225 nan 8.150 nan 0.000 0.449 465 M N -1.362 118.291 119.600 0.089 0.000 2.502 465 M HA 0.195 4.673 4.480 -0.004 0.000 0.243 465 M C 0.561 176.828 176.300 -0.056 0.000 1.130 465 M CA 0.348 55.666 55.300 0.029 0.000 1.055 465 M CB -0.337 32.306 32.600 0.072 0.000 1.457 465 M HN 0.503 nan 8.290 nan 0.000 0.488 466 N N 0.990 119.672 118.700 -0.031 0.000 2.754 466 N HA -0.168 4.570 4.740 -0.004 0.000 0.248 466 N C -1.162 174.284 175.510 -0.106 0.000 1.093 466 N CA 0.397 53.433 53.050 -0.023 0.000 0.699 466 N CB -1.385 37.097 38.487 -0.009 0.000 1.016 466 N HN 0.397 nan 8.380 nan 0.000 0.552 467 L N 0.065 121.112 121.223 -0.293 0.000 2.439 467 L HA 0.113 4.451 4.340 -0.004 0.000 0.269 467 L C 1.566 178.356 176.870 -0.133 0.000 1.179 467 L CA -0.356 54.185 54.840 -0.498 0.000 0.828 467 L CB 0.395 41.635 42.059 -1.365 0.000 1.106 467 L HN -0.036 nan 8.230 nan 0.000 0.467 468 D N 0.596 120.913 120.400 -0.138 0.000 2.216 468 D HA 0.138 4.776 4.640 -0.004 0.000 0.208 468 D C 0.130 176.494 176.300 0.108 0.000 0.960 468 D CA 0.914 54.920 54.000 0.010 0.000 0.861 468 D CB 0.801 41.552 40.800 -0.083 0.000 0.985 468 D HN 0.165 nan 8.370 nan 0.000 0.493 469 V N -0.222 119.591 119.914 -0.169 0.000 3.282 469 V HA 0.349 4.467 4.120 -0.004 0.000 0.295 469 V C -1.982 173.819 176.094 -0.488 0.000 1.451 469 V CA -0.923 61.258 62.300 -0.198 0.000 1.062 469 V CB 2.963 34.482 31.823 -0.507 0.000 1.128 469 V HN -0.094 nan 8.190 nan 0.000 0.456 470 L N 3.078 124.151 121.223 -0.249 0.000 2.439 470 L HA 0.740 5.077 4.340 -0.004 0.000 0.270 470 L C -1.316 175.613 176.870 0.098 0.000 0.972 470 L CA -0.257 54.480 54.840 -0.170 0.000 0.836 470 L CB 1.566 43.587 42.059 -0.064 0.000 1.255 470 L HN 0.641 nan 8.230 nan 0.000 0.404 471 L N 4.872 126.177 121.223 0.136 0.000 2.289 471 L HA 0.854 5.192 4.340 -0.004 0.000 0.285 471 L C -0.060 176.808 176.870 -0.004 0.000 1.049 471 L CA 0.557 55.532 54.840 0.224 0.000 0.804 471 L CB 1.448 43.678 42.059 0.284 0.000 1.195 471 L HN 0.875 nan 8.230 nan 0.000 0.428 472 T N 2.812 117.309 114.554 -0.096 0.000 2.841 472 T HA 0.729 5.077 4.350 -0.004 0.000 0.296 472 T C -2.974 171.608 174.700 -0.196 0.000 1.166 472 T CA -1.985 59.916 62.100 -0.332 0.000 1.007 472 T CB 1.988 70.627 68.868 -0.383 0.000 1.253 472 T HN 0.340 nan 8.240 nan 0.000 0.511 473 P HA 0.409 nan 4.420 nan 0.000 0.272 473 P C -0.980 176.126 177.300 -0.323 0.000 1.223 473 P CA -0.550 62.353 63.100 -0.329 0.000 0.784 473 P CB 0.314 31.654 31.700 -0.600 0.000 0.923 474 M N 3.538 123.000 119.600 -0.231 0.000 2.364 474 M HA 0.395 4.872 4.480 -0.004 0.000 0.334 474 M C -1.227 175.020 176.300 -0.089 0.000 1.107 474 M CA -1.533 53.692 55.300 -0.124 0.000 0.988 474 M CB 0.876 33.444 32.600 -0.053 0.000 1.673 474 M HN 0.076 nan 8.290 nan 0.000 0.441 475 L N 4.564 125.826 121.223 0.064 0.000 2.578 475 L HA 0.503 4.841 4.340 -0.004 0.000 0.279 475 L C 0.120 177.146 176.870 0.260 0.000 1.227 475 L CA 1.571 56.548 54.840 0.229 0.000 0.900 475 L CB -0.342 42.005 42.059 0.480 0.000 1.144 475 L HN 0.879 nan 8.230 nan 0.000 0.496 476 G N 4.660 113.517 108.800 0.096 0.000 2.377 476 G HA2 0.367 4.325 3.960 -0.004 0.000 0.297 476 G HA3 0.367 4.325 3.960 -0.004 0.000 0.297 476 G C -3.298 171.530 174.900 -0.121 0.000 1.547 476 G CA -0.629 44.437 45.100 -0.056 0.000 0.833 476 G HN 0.526 nan 8.290 nan 0.000 0.583 477 P HA 0.467 nan 4.420 nan 0.000 0.289 477 P C 0.462 177.413 177.300 -0.583 0.000 1.299 477 P CA 0.140 63.055 63.100 -0.308 0.000 0.766 477 P CB 0.591 32.143 31.700 -0.247 0.000 1.226 478 A N 0.330 122.713 122.820 -0.729 0.000 2.580 478 A HA 0.084 4.402 4.320 -0.004 0.000 0.244 478 A C 0.312 177.506 177.584 -0.649 0.000 1.045 478 A CA 0.195 51.589 52.037 -1.072 0.000 0.761 478 A CB -1.188 17.535 19.000 -0.461 0.000 0.962 478 A HN 0.385 nan 8.150 nan 0.000 0.512 479 L N 2.708 123.556 121.223 -0.625 0.000 2.452 479 L HA 0.168 4.506 4.340 -0.004 0.000 0.267 479 L C 0.829 177.615 176.870 -0.141 0.000 1.188 479 L CA 0.288 54.987 54.840 -0.236 0.000 0.821 479 L CB 0.134 42.145 42.059 -0.079 0.000 1.102 479 L HN 0.660 nan 8.230 nan 0.000 0.470 480 D N 0.400 120.735 120.400 -0.109 0.000 2.346 480 D HA -0.063 4.575 4.640 -0.004 0.000 0.236 480 D C 0.925 177.188 176.300 -0.061 0.000 1.259 480 D CA -0.140 53.816 54.000 -0.074 0.000 0.898 480 D CB 0.534 41.295 40.800 -0.065 0.000 1.178 480 D HN 0.280 nan 8.370 nan 0.000 0.457 481 L N 1.357 122.553 121.223 -0.044 0.000 2.599 481 L HA 0.058 4.396 4.340 -0.004 0.000 0.230 481 L C 0.703 177.545 176.870 -0.047 0.000 1.141 481 L CA 1.125 55.945 54.840 -0.033 0.000 0.877 481 L CB -0.558 41.490 42.059 -0.018 0.000 1.009 481 L HN 0.263 nan 8.230 nan 0.000 0.447 482 N N -1.710 116.954 118.700 -0.060 0.000 2.387 482 N HA 0.097 4.835 4.740 -0.004 0.000 0.259 482 N C 0.960 176.414 175.510 -0.093 0.000 1.369 482 N CA 0.891 53.900 53.050 -0.069 0.000 0.867 482 N CB 0.769 39.230 38.487 -0.044 0.000 1.341 482 N HN 0.332 nan 8.380 nan 0.000 0.495 483 T N -3.499 110.980 114.554 -0.125 0.000 3.023 483 T HA 0.198 4.546 4.350 -0.004 0.000 0.249 483 T C -1.181 173.376 174.700 -0.238 0.000 1.050 483 T CA 0.141 62.161 62.100 -0.134 0.000 1.088 483 T CB -0.433 68.376 68.868 -0.098 0.000 0.946 483 T HN -0.131 nan 8.240 nan 0.000 0.480 484 P HA -0.044 nan 4.420 nan 0.000 0.217 484 P C 1.727 178.652 177.300 -0.626 0.000 1.151 484 P CA 1.569 64.071 63.100 -0.997 0.000 0.849 484 P CB -0.682 30.158 31.700 -1.435 0.000 0.787 485 G N -1.171 107.424 108.800 -0.343 0.000 2.776 485 G HA2 -0.153 3.805 3.960 -0.004 0.000 0.209 485 G HA3 -0.153 3.805 3.960 -0.004 0.000 0.209 485 G C 1.284 176.120 174.900 -0.108 0.000 1.145 485 G CA 0.152 45.156 45.100 -0.160 0.000 0.791 485 G HN 0.307 nan 8.290 nan 0.000 0.530 486 R N -1.055 119.367 120.500 -0.131 0.000 2.544 486 R HA 0.256 4.593 4.340 -0.004 0.000 0.303 486 R C 0.758 177.003 176.300 -0.093 0.000 0.939 486 R CA 0.208 56.267 56.100 -0.067 0.000 1.102 486 R CB 0.861 31.154 30.300 -0.011 0.000 1.440 486 R HN 0.159 nan 8.270 nan 0.000 0.532 487 A N 1.382 124.122 122.820 -0.133 0.000 3.175 487 A HA 0.237 4.555 4.320 -0.004 0.000 0.289 487 A C 0.797 178.228 177.584 -0.256 0.000 1.429 487 A CA -0.317 51.662 52.037 -0.096 0.000 1.155 487 A CB -0.219 18.806 19.000 0.042 0.000 1.169 487 A HN 0.057 nan 8.150 nan 0.000 0.574 488 T N -0.066 113.988 114.554 -0.835 0.000 2.821 488 T HA -0.082 4.266 4.350 -0.004 0.000 0.267 488 T C 2.074 176.141 174.700 -1.056 0.000 1.046 488 T CA 1.583 63.010 62.100 -1.121 0.000 1.139 488 T CB -0.083 67.695 68.868 -1.817 0.000 0.871 488 T HN 0.639 nan 8.240 nan 0.000 0.454 489 G N 1.218 109.425 108.800 -0.988 0.000 2.448 489 G HA2 -0.009 3.949 3.960 -0.004 0.000 0.219 489 G HA3 -0.009 3.949 3.960 -0.004 0.000 0.219 489 G C 1.635 176.572 174.900 0.062 0.000 1.127 489 G CA 0.659 45.683 45.100 -0.126 0.000 0.766 489 G HN 0.604 nan 8.290 nan 0.000 0.552 490 A N -0.082 122.749 122.820 0.017 0.000 2.209 490 A HA 0.281 4.599 4.320 -0.004 0.000 0.212 490 A C 2.218 179.849 177.584 0.079 0.000 1.158 490 A CA 0.887 53.006 52.037 0.137 0.000 0.742 490 A CB -0.211 18.898 19.000 0.183 0.000 0.790 490 A HN 0.290 nan 8.150 nan 0.000 0.472 491 V N 0.954 120.826 119.914 -0.070 0.000 3.241 491 V HA -0.174 3.944 4.120 -0.004 0.000 0.269 491 V C 2.679 178.777 176.094 0.007 0.000 1.151 491 V CA 2.084 64.379 62.300 -0.007 0.000 1.158 491 V CB -0.677 31.073 31.823 -0.123 0.000 0.764 491 V HN 0.852 nan 8.190 nan 0.000 0.508 492 S N -0.642 115.044 115.700 -0.023 0.000 2.382 492 S HA -0.269 4.198 4.470 -0.004 0.000 0.228 492 S C 1.868 176.373 174.600 -0.159 0.000 1.027 492 S CA 1.760 59.857 58.200 -0.171 0.000 0.991 492 S CB -0.774 62.310 63.200 -0.193 0.000 0.823 492 S HN 0.621 nan 8.310 nan 0.000 0.469 493 Y N 3.043 123.397 120.300 0.091 0.000 2.224 493 Y HA -0.064 4.483 4.550 -0.004 0.000 0.289 493 Y C 3.280 179.234 175.900 0.090 0.000 1.146 493 Y CA 1.462 59.645 58.100 0.137 0.000 1.182 493 Y CB -0.955 37.600 38.460 0.159 0.000 0.983 493 Y HN 0.629 nan 8.280 nan 0.000 0.524 494 T N -3.656 110.946 114.554 0.080 0.000 2.953 494 T HA -0.111 4.237 4.350 -0.004 0.000 0.247 494 T C 1.888 176.556 174.700 -0.054 0.000 1.029 494 T CA 0.847 62.920 62.100 -0.045 0.000 1.144 494 T CB -0.567 68.040 68.868 -0.435 0.000 0.870 494 T HN 0.148 nan 8.240 nan 0.000 0.446 495 M N 1.631 121.165 119.600 -0.109 0.000 2.106 495 M HA 0.043 4.520 4.480 -0.004 0.000 0.259 495 M C 2.012 178.203 176.300 -0.182 0.000 1.068 495 M CA 1.233 56.453 55.300 -0.133 0.000 1.100 495 M CB -1.072 31.441 32.600 -0.144 0.000 1.351 495 M HN 0.313 nan 8.290 nan 0.000 0.404 496 L N -0.575 120.482 121.223 -0.276 0.000 2.089 496 L HA -0.240 4.097 4.340 -0.004 0.000 0.213 496 L C 1.645 178.199 176.870 -0.527 0.000 1.079 496 L CA 2.065 56.633 54.840 -0.453 0.000 0.758 496 L CB -0.962 40.715 42.059 -0.636 0.000 0.891 496 L HN 0.490 nan 8.230 nan 0.000 0.433 497 Y N -1.116 119.146 120.300 -0.063 0.000 2.523 497 Y HA 0.065 4.612 4.550 -0.004 0.000 0.279 497 Y C 2.209 178.072 175.900 -0.062 0.000 1.139 497 Y CA 0.728 58.782 58.100 -0.078 0.000 1.296 497 Y CB -0.764 37.704 38.460 0.013 0.000 1.045 497 Y HN 0.336 nan 8.280 nan 0.000 0.538 498 N N -0.802 117.908 118.700 0.017 0.000 2.142 498 N HA -0.199 4.539 4.740 -0.004 0.000 0.186 498 N C 1.956 177.443 175.510 -0.037 0.000 1.023 498 N CA 1.514 54.553 53.050 -0.017 0.000 0.852 498 N CB -0.450 38.004 38.487 -0.055 0.000 0.998 498 N HN 0.334 nan 8.380 nan 0.000 0.424 499 C N 0.614 119.866 119.300 -0.079 0.000 2.429 499 C HA 0.019 4.477 4.460 -0.004 0.000 0.277 499 C C 2.179 177.149 174.990 -0.034 0.000 1.262 499 C CA 0.619 59.592 59.018 -0.076 0.000 1.733 499 C CB -1.184 26.479 27.740 -0.127 0.000 2.010 499 C HN 0.418 nan 8.230 nan 0.000 0.483 500 L N 0.269 121.438 121.223 -0.090 0.000 2.478 500 L HA 0.057 4.395 4.340 -0.004 0.000 0.223 500 L C 1.059 177.973 176.870 0.073 0.000 1.140 500 L CA 1.231 55.984 54.840 -0.145 0.000 0.842 500 L CB -0.566 41.080 42.059 -0.688 0.000 0.953 500 L HN 0.362 nan 8.230 nan 0.000 0.452 501 D N 0.054 120.500 120.400 0.077 0.000 2.708 501 D HA -0.263 4.375 4.640 -0.004 0.000 0.236 501 D C -0.254 176.172 176.300 0.210 0.000 1.146 501 D CA 0.601 54.653 54.000 0.085 0.000 0.662 501 D CB -1.216 39.588 40.800 0.007 0.000 1.059 501 D HN 0.181 nan 8.370 nan 0.000 0.428 502 F N -0.039 119.892 119.950 -0.032 0.000 2.385 502 F HA 0.391 4.916 4.527 -0.004 0.000 0.336 502 F C -1.295 174.451 175.800 -0.090 0.000 1.100 502 F CA -2.444 55.507 58.000 -0.082 0.000 1.116 502 F CB 1.330 40.345 39.000 0.025 0.000 1.166 502 F HN -0.121 nan 8.300 nan 0.000 0.511 503 P HA 0.119 nan 4.420 nan 0.000 0.268 503 P C -1.288 176.024 177.300 0.020 0.000 1.204 503 P CA 0.010 63.103 63.100 -0.011 0.000 0.768 503 P CB 1.001 32.676 31.700 -0.042 0.000 0.842 504 A N 2.668 125.494 122.820 0.009 0.000 2.459 504 A HA 0.746 5.063 4.320 -0.004 0.000 0.296 504 A C -0.316 177.258 177.584 -0.018 0.000 1.039 504 A CA -0.410 51.613 52.037 -0.023 0.000 0.698 504 A CB 1.671 20.645 19.000 -0.043 0.000 1.261 504 A HN 0.587 nan 8.150 nan 0.000 0.405 505 G N -0.502 108.287 108.800 -0.019 0.000 2.658 505 G HA2 0.677 4.635 3.960 -0.004 0.000 0.292 505 G HA3 0.677 4.635 3.960 -0.004 0.000 0.292 505 G C -1.709 173.162 174.900 -0.049 0.000 1.320 505 G CA -0.734 44.350 45.100 -0.027 0.000 0.933 505 G HN 1.327 nan 8.290 nan 0.000 0.476 506 V N -0.166 119.715 119.914 -0.054 0.000 2.686 506 V HA 0.720 4.838 4.120 -0.004 0.000 0.306 506 V C -1.044 175.014 176.094 -0.059 0.000 1.065 506 V CA -0.687 61.575 62.300 -0.063 0.000 0.894 506 V CB 1.868 33.653 31.823 -0.063 0.000 1.004 506 V HN 1.030 nan 8.190 nan 0.000 0.424 507 V N 8.238 128.106 119.914 -0.076 0.000 2.686 507 V HA 0.765 4.882 4.120 -0.004 0.000 0.306 507 V C -2.642 173.413 176.094 -0.065 0.000 1.065 507 V CA -2.058 60.202 62.300 -0.067 0.000 0.894 507 V CB 2.977 34.747 31.823 -0.089 0.000 1.004 507 V HN 0.785 nan 8.190 nan 0.000 0.424 508 P HA 0.229 nan 4.420 nan 0.000 0.271 508 P C 0.253 177.521 177.300 -0.054 0.000 1.218 508 P CA 0.413 63.482 63.100 -0.051 0.000 0.780 508 P CB 1.561 33.239 31.700 -0.038 0.000 0.901 509 V N -1.231 118.645 119.914 -0.062 0.000 3.359 509 V HA 0.357 4.475 4.120 -0.004 0.000 0.270 509 V C 0.364 176.429 176.094 -0.049 0.000 1.583 509 V CA 0.486 62.753 62.300 -0.056 0.000 1.019 509 V CB 0.443 32.225 31.823 -0.068 0.000 0.831 509 V HN 0.623 nan 8.190 nan 0.000 0.426 510 T N 0.674 115.191 114.554 -0.062 0.000 2.693 510 T HA 0.607 4.955 4.350 -0.004 0.000 0.304 510 T C -0.958 173.688 174.700 -0.091 0.000 1.471 510 T CA 0.560 62.625 62.100 -0.059 0.000 0.993 510 T CB 1.842 70.680 68.868 -0.050 0.000 1.554 510 T HN 0.884 nan 8.240 nan 0.000 0.496 511 T N -0.956 113.550 114.554 -0.079 0.000 2.916 511 T HA 0.705 5.053 4.350 -0.004 0.000 0.292 511 T C -0.479 174.173 174.700 -0.080 0.000 1.055 511 T CA -0.690 61.343 62.100 -0.111 0.000 1.009 511 T CB 1.150 69.962 68.868 -0.094 0.000 1.118 511 T HN 0.454 nan 8.240 nan 0.000 0.497 512 V N 3.614 123.472 119.914 -0.094 0.000 2.450 512 V HA 0.291 4.409 4.120 -0.004 0.000 0.281 512 V C 1.462 177.532 176.094 -0.041 0.000 1.019 512 V CA -0.086 62.172 62.300 -0.069 0.000 1.062 512 V CB -0.179 31.594 31.823 -0.084 0.000 0.979 512 V HN 1.185 nan 8.190 nan 0.000 0.477 513 T N 2.712 117.248 114.554 -0.029 0.000 2.882 513 T HA 0.504 4.851 4.350 -0.004 0.000 0.287 513 T C 1.370 176.062 174.700 -0.014 0.000 1.014 513 T CA -0.087 62.004 62.100 -0.015 0.000 1.049 513 T CB 1.620 70.482 68.868 -0.009 0.000 1.001 513 T HN 0.716 nan 8.240 nan 0.000 0.525 514 A N 0.404 123.220 122.820 -0.007 0.000 1.940 514 A HA -0.111 4.207 4.320 -0.004 0.000 0.219 514 A C 2.277 179.858 177.584 -0.005 0.000 1.176 514 A CA 1.987 54.020 52.037 -0.006 0.000 0.631 514 A CB -1.184 17.815 19.000 -0.002 0.000 0.814 514 A HN 1.060 nan 8.150 nan 0.000 0.446 515 E N -0.111 120.088 120.200 -0.002 0.000 2.085 515 E HA -0.259 4.089 4.350 -0.004 0.000 0.194 515 E C 1.178 177.779 176.600 0.002 0.000 0.994 515 E CA 1.562 57.963 56.400 0.001 0.000 0.801 515 E CB -0.152 29.549 29.700 0.003 0.000 0.743 515 E HN 0.595 nan 8.360 nan 0.000 0.453 516 D N 0.156 120.553 120.400 -0.004 0.000 2.178 516 D HA -0.138 4.500 4.640 -0.004 0.000 0.202 516 D C 1.518 177.812 176.300 -0.010 0.000 0.974 516 D CA 1.138 55.135 54.000 -0.005 0.000 0.841 516 D CB -0.278 40.513 40.800 -0.017 0.000 0.953 516 D HN 0.259 nan 8.370 nan 0.000 0.478 517 D N 0.321 120.710 120.400 -0.018 0.000 2.149 517 D HA -0.007 4.630 4.640 -0.004 0.000 0.201 517 D C 2.000 178.291 176.300 -0.015 0.000 0.972 517 D CA 1.147 55.131 54.000 -0.026 0.000 0.835 517 D CB 0.088 40.871 40.800 -0.029 0.000 0.966 517 D HN 0.055 nan 8.370 nan 0.000 0.476 518 A N 0.052 122.869 122.820 -0.005 0.000 1.930 518 A HA -0.172 4.146 4.320 -0.004 0.000 0.217 518 A C 2.088 179.680 177.584 0.013 0.000 1.175 518 A CA 1.232 53.270 52.037 0.002 0.000 0.627 518 A CB -0.609 18.394 19.000 0.004 0.000 0.815 518 A HN 0.279 nan 8.150 nan 0.000 0.443 519 Q N -1.191 118.620 119.800 0.018 0.000 2.291 519 Q HA -0.105 4.232 4.340 -0.004 0.000 0.206 519 Q C 1.843 177.878 176.000 0.059 0.000 0.976 519 Q CA 0.978 56.802 55.803 0.036 0.000 0.875 519 Q CB -0.219 28.542 28.738 0.038 0.000 0.927 519 Q HN 0.495 nan 8.270 nan 0.000 0.450 520 M N 0.194 119.817 119.600 0.038 0.000 2.260 520 M HA -0.196 4.282 4.480 -0.004 0.000 0.261 520 M C 1.507 177.844 176.300 0.061 0.000 1.066 520 M CA 1.394 56.714 55.300 0.033 0.000 1.082 520 M CB -0.536 32.034 32.600 -0.050 0.000 1.388 520 M HN 0.112 nan 8.290 nan 0.000 0.419 521 E N 0.011 120.238 120.200 0.044 0.000 2.204 521 E HA -0.056 4.292 4.350 -0.004 0.000 0.194 521 E C 1.870 178.512 176.600 0.070 0.000 0.989 521 E CA 0.768 57.197 56.400 0.048 0.000 0.824 521 E CB -0.184 29.533 29.700 0.028 0.000 0.756 521 E HN 0.489 nan 8.360 nan 0.000 0.477 522 L N -0.520 120.750 121.223 0.078 0.000 2.509 522 L HA 0.047 4.385 4.340 -0.004 0.000 0.222 522 L C 0.388 177.312 176.870 0.091 0.000 1.123 522 L CA -0.297 54.584 54.840 0.068 0.000 0.856 522 L CB -0.071 42.016 42.059 0.047 0.000 0.985 522 L HN 0.133 nan 8.230 nan 0.000 0.456 523 Y N 3.508 123.802 120.300 -0.010 0.000 2.569 523 Y HA 0.075 4.622 4.550 -0.004 0.000 0.332 523 Y C 0.366 176.255 175.900 -0.019 0.000 1.120 523 Y CA -0.459 57.629 58.100 -0.021 0.000 1.416 523 Y CB 0.075 38.523 38.460 -0.019 0.000 1.210 523 Y HN 0.058 nan 8.280 nan 0.000 0.528 524 K N 4.955 125.251 120.400 -0.173 0.000 2.507 524 K HA 0.668 4.986 4.320 -0.004 0.000 0.251 524 K C 0.036 176.406 176.600 -0.384 0.000 0.943 524 K CA -0.864 55.363 56.287 -0.100 0.000 0.794 524 K CB 1.540 34.015 32.500 -0.042 0.000 1.188 524 K HN 0.694 nan 8.250 nan 0.000 0.428 525 G N 0.987 109.623 108.800 -0.272 0.000 2.583 525 G HA2 -0.001 3.956 3.960 -0.004 0.000 0.275 525 G HA3 -0.001 3.956 3.960 -0.004 0.000 0.275 525 G C -0.193 174.514 174.900 -0.323 0.000 1.342 525 G CA -0.410 44.440 45.100 -0.417 0.000 1.030 525 G HN 0.652 nan 8.290 nan 0.000 0.520 526 Y N -1.240 118.998 120.300 -0.103 0.000 2.571 526 Y HA 0.158 4.706 4.550 -0.004 0.000 0.294 526 Y C 1.891 177.422 175.900 -0.615 0.000 1.141 526 Y CA 0.522 58.412 58.100 -0.350 0.000 1.308 526 Y CB -0.155 38.041 38.460 -0.441 0.000 1.002 526 Y HN 0.369 nan 8.280 nan 0.000 0.551 527 F N -2.332 117.638 119.950 0.033 0.000 2.640 527 F HA 0.384 4.909 4.527 -0.004 0.000 0.285 527 F C 2.055 177.865 175.800 0.017 0.000 1.031 527 F CA 0.491 58.492 58.000 0.002 0.000 1.240 527 F CB -0.065 38.910 39.000 -0.042 0.000 1.011 527 F HN -0.107 nan 8.300 nan 0.000 0.656 528 G N 1.308 110.229 108.800 0.201 0.000 2.155 528 G HA2 -0.296 3.661 3.960 -0.004 0.000 0.257 528 G HA3 -0.296 3.661 3.960 -0.004 0.000 0.257 528 G C -0.214 174.805 174.900 0.199 0.000 0.983 528 G CA 0.455 45.647 45.100 0.155 0.000 0.676 528 G HN 0.449 nan 8.290 nan 0.000 0.528 529 D N -0.026 120.503 120.400 0.216 0.000 2.414 529 D HA 0.405 5.043 4.640 -0.004 0.000 0.251 529 D C 2.052 178.375 176.300 0.039 0.000 1.252 529 D CA -0.443 53.638 54.000 0.134 0.000 0.999 529 D CB 0.208 41.004 40.800 -0.006 0.000 1.093 529 D HN 0.456 nan 8.370 nan 0.000 0.515 530 I N -1.983 118.533 120.570 -0.091 0.000 2.614 530 I HA -0.102 4.066 4.170 -0.004 0.000 0.258 530 I C 1.075 177.300 176.117 0.181 0.000 1.189 530 I CA 0.683 61.989 61.300 0.011 0.000 1.462 530 I CB -1.223 36.748 38.000 -0.049 0.000 1.092 530 I HN 0.345 nan 8.210 nan 0.000 0.442 531 W N 2.230 123.516 121.300 -0.024 0.000 2.338 531 W HA -0.147 4.511 4.660 -0.004 0.000 0.304 531 W C 2.369 178.915 176.519 0.045 0.000 1.212 531 W CA 1.201 58.540 57.345 -0.009 0.000 1.264 531 W CB -1.423 28.007 29.460 -0.050 0.000 1.142 531 W HN 0.254 nan 8.180 nan 0.000 0.512 532 D N -0.279 120.310 120.400 0.315 0.000 2.117 532 D HA -0.133 4.505 4.640 -0.004 0.000 0.198 532 D C 2.199 178.642 176.300 0.238 0.000 0.982 532 D CA 1.140 55.313 54.000 0.289 0.000 0.828 532 D CB -0.322 40.636 40.800 0.262 0.000 0.967 532 D HN -0.038 nan 8.370 nan 0.000 0.464 533 I N 0.787 121.462 120.570 0.175 0.000 2.226 533 I HA -0.180 3.988 4.170 -0.004 0.000 0.245 533 I C 2.458 178.625 176.117 0.083 0.000 1.100 533 I CA 0.777 62.150 61.300 0.121 0.000 1.374 533 I CB -0.827 37.225 38.000 0.087 0.000 1.057 533 I HN 0.035 nan 8.210 nan 0.000 0.413 534 I N -0.192 120.432 120.570 0.090 0.000 2.353 534 I HA -0.255 3.913 4.170 -0.004 0.000 0.248 534 I C 2.456 178.584 176.117 0.018 0.000 1.119 534 I CA 0.640 61.969 61.300 0.049 0.000 1.417 534 I CB -0.163 37.873 38.000 0.060 0.000 1.078 534 I HN 0.132 nan 8.210 nan 0.000 0.421 535 L N 1.217 122.467 121.223 0.046 0.000 2.012 535 L HA -0.255 4.083 4.340 -0.004 0.000 0.210 535 L C 2.503 179.287 176.870 -0.144 0.000 1.073 535 L CA 1.944 56.779 54.840 -0.009 0.000 0.748 535 L CB -0.689 41.413 42.059 0.071 0.000 0.891 535 L HN 0.114 nan 8.230 nan 0.000 0.431 536 K N -0.492 119.822 120.400 -0.143 0.000 2.034 536 K HA -0.298 4.020 4.320 -0.004 0.000 0.214 536 K C 2.376 178.870 176.600 -0.177 0.000 1.051 536 K CA 2.143 58.267 56.287 -0.271 0.000 0.931 536 K CB -0.281 32.223 32.500 0.007 0.000 0.715 536 K HN 0.270 nan 8.250 nan 0.000 0.446 537 K N -0.020 120.331 120.400 -0.081 0.000 2.026 537 K HA -0.113 4.204 4.320 -0.004 0.000 0.208 537 K C 1.989 178.538 176.600 -0.085 0.000 1.048 537 K CA 1.284 57.533 56.287 -0.063 0.000 0.929 537 K CB -0.200 32.282 32.500 -0.031 0.000 0.713 537 K HN 0.281 nan 8.250 nan 0.000 0.439 538 A N 0.819 123.586 122.820 -0.088 0.000 2.070 538 A HA -0.101 4.217 4.320 -0.004 0.000 0.220 538 A C 1.835 179.340 177.584 -0.133 0.000 1.159 538 A CA 1.290 53.270 52.037 -0.096 0.000 0.656 538 A CB -0.289 18.663 19.000 -0.081 0.000 0.800 538 A HN 0.349 nan 8.150 nan 0.000 0.453 539 M N -0.718 118.782 119.600 -0.167 0.000 2.431 539 M HA 0.115 4.593 4.480 -0.004 0.000 0.237 539 M C 0.171 176.375 176.300 -0.160 0.000 1.130 539 M CA 0.215 55.400 55.300 -0.191 0.000 1.002 539 M CB 0.188 32.646 32.600 -0.238 0.000 1.524 539 M HN 0.169 nan 8.290 nan 0.000 0.482 540 K N 1.127 121.450 120.400 -0.129 0.000 2.117 540 K HA 0.143 4.461 4.320 -0.004 0.000 0.240 540 K C 0.631 177.184 176.600 -0.077 0.000 1.031 540 K CA -0.484 55.748 56.287 -0.093 0.000 0.909 540 K CB 0.318 32.776 32.500 -0.071 0.000 1.097 540 K HN 0.089 nan 8.250 nan 0.000 0.492 541 N N 0.641 119.308 118.700 -0.056 0.000 2.714 541 N HA -0.174 4.564 4.740 -0.004 0.000 0.252 541 N C -0.998 174.482 175.510 -0.051 0.000 1.014 541 N CA 0.398 53.422 53.050 -0.043 0.000 0.735 541 N CB -0.649 37.817 38.487 -0.036 0.000 0.924 541 N HN 0.447 nan 8.380 nan 0.000 0.540 542 S N -0.559 115.103 115.700 -0.063 0.000 2.663 542 S HA 0.156 4.623 4.470 -0.004 0.000 0.243 542 S C 0.369 174.931 174.600 -0.064 0.000 1.009 542 S CA -0.399 57.753 58.200 -0.080 0.000 0.988 542 S CB 1.099 64.226 63.200 -0.121 0.000 0.896 542 S HN 0.225 nan 8.310 nan 0.000 0.502 543 V N 2.182 122.074 119.914 -0.036 0.000 2.599 543 V HA 0.383 4.501 4.120 -0.004 0.000 0.300 543 V C 1.514 177.605 176.094 -0.004 0.000 1.034 543 V CA 1.138 63.425 62.300 -0.022 0.000 1.115 543 V CB 0.033 31.851 31.823 -0.008 0.000 0.934 543 V HN 0.669 nan 8.190 nan 0.000 0.485 544 G N 3.722 112.515 108.800 -0.012 0.000 2.217 544 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.246 544 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.246 544 G C 0.108 174.979 174.900 -0.049 0.000 0.990 544 G CA 0.042 45.156 45.100 0.024 0.000 0.627 544 G HN 0.562 nan 8.290 nan 0.000 0.522 545 L N 2.079 123.216 121.223 -0.142 0.000 2.452 545 L HA 0.400 4.738 4.340 -0.004 0.000 0.267 545 L C -1.652 174.944 176.870 -0.457 0.000 1.188 545 L CA -1.885 52.744 54.840 -0.352 0.000 0.821 545 L CB 0.507 42.407 42.059 -0.265 0.000 1.102 545 L HN -0.021 nan 8.230 nan 0.000 0.470 546 P HA 0.203 nan 4.420 nan 0.000 0.279 546 P C -1.020 176.112 177.300 -0.281 0.000 1.239 546 P CA -0.247 62.557 63.100 -0.495 0.000 0.789 546 P CB 1.245 32.590 31.700 -0.591 0.000 0.933 547 V N 1.793 121.595 119.914 -0.186 0.000 2.604 547 V HA 0.768 4.886 4.120 -0.004 0.000 0.305 547 V C 0.255 176.294 176.094 -0.091 0.000 1.043 547 V CA -0.700 61.527 62.300 -0.122 0.000 0.888 547 V CB 1.598 33.357 31.823 -0.106 0.000 0.995 547 V HN 0.762 nan 8.190 nan 0.000 0.429 548 A N 3.477 126.258 122.820 -0.064 0.000 2.387 548 A HA 0.985 5.302 4.320 -0.004 0.000 0.298 548 A C -1.095 176.444 177.584 -0.074 0.000 1.165 548 A CA -0.735 51.266 52.037 -0.060 0.000 0.814 548 A CB 2.070 21.050 19.000 -0.034 0.000 1.357 548 A HN 0.675 nan 8.150 nan 0.000 0.443 549 V N -0.116 119.746 119.914 -0.086 0.000 2.962 549 V HA 0.503 4.621 4.120 -0.004 0.000 0.313 549 V C -0.551 175.484 176.094 -0.099 0.000 1.099 549 V CA -0.491 61.748 62.300 -0.101 0.000 0.971 549 V CB 1.962 33.718 31.823 -0.112 0.000 1.028 549 V HN 1.010 nan 8.190 nan 0.000 0.430 550 Q N 2.296 122.045 119.800 -0.086 0.000 2.274 550 Q HA 0.559 4.897 4.340 -0.004 0.000 0.260 550 Q C -1.557 174.420 176.000 -0.038 0.000 0.974 550 Q CA -0.439 55.327 55.803 -0.062 0.000 0.876 550 Q CB 1.678 30.402 28.738 -0.024 0.000 1.297 550 Q HN 0.803 nan 8.270 nan 0.000 0.446 551 C N 3.457 122.742 119.300 -0.025 0.000 2.345 551 C HA 0.714 5.172 4.460 -0.004 0.000 0.323 551 C C -0.590 174.463 174.990 0.104 0.000 1.276 551 C CA -0.738 58.349 59.018 0.114 0.000 1.543 551 C CB 0.666 28.413 27.740 0.012 0.000 2.211 551 C HN 0.626 nan 8.230 nan 0.000 0.493 552 V N 2.778 122.778 119.914 0.144 0.000 2.604 552 V HA 0.906 5.023 4.120 -0.004 0.000 0.305 552 V C 0.281 176.526 176.094 0.250 0.000 1.043 552 V CA -0.145 62.197 62.300 0.070 0.000 0.888 552 V CB 1.687 33.428 31.823 -0.138 0.000 0.995 552 V HN 1.096 nan 8.190 nan 0.000 0.429 553 A N 3.739 126.645 122.820 0.144 0.000 2.387 553 A HA 0.911 5.229 4.320 -0.004 0.000 0.298 553 A C -0.629 176.695 177.584 -0.433 0.000 1.165 553 A CA -0.843 51.221 52.037 0.045 0.000 0.814 553 A CB 1.038 20.044 19.000 0.011 0.000 1.357 553 A HN 0.747 nan 8.150 nan 0.000 0.443 554 L N 0.688 121.418 121.223 -0.821 0.000 2.476 554 L HA 0.237 4.575 4.340 -0.004 0.000 0.264 554 L C -1.996 174.383 176.870 -0.817 0.000 1.224 554 L CA -1.552 52.518 54.840 -1.283 0.000 0.821 554 L CB 0.106 41.493 42.059 -1.119 0.000 1.101 554 L HN 0.394 nan 8.230 nan 0.000 0.488 555 P HA -0.135 nan 4.420 nan 0.000 0.264 555 P C -0.755 176.324 177.300 -0.369 0.000 1.179 555 P CA 0.525 63.242 63.100 -0.637 0.000 0.763 555 P CB 0.084 31.419 31.700 -0.608 0.000 0.806 556 W N -0.064 121.156 121.300 -0.134 0.000 2.303 556 W HA -0.191 4.468 4.660 -0.001 0.000 0.267 556 W C 0.509 176.973 176.519 -0.091 0.000 1.054 556 W CA 0.003 57.294 57.345 -0.091 0.000 0.501 556 W CB -2.094 27.309 29.460 -0.094 0.000 2.076 556 W HN 0.423 nan 8.180 nan 0.000 1.317 557 Q N 0.997 120.809 119.800 0.021 0.000 2.302 557 Q HA 0.044 4.382 4.340 -0.004 0.000 0.332 557 Q C 1.515 177.524 176.000 0.016 0.000 0.913 557 Q CA 0.269 56.069 55.803 -0.005 0.000 1.098 557 Q CB 0.369 29.058 28.738 -0.081 0.000 1.236 557 Q HN 0.417 nan 8.270 nan 0.000 0.436 558 E N 0.905 121.139 120.200 0.057 0.000 2.150 558 E HA -0.205 4.143 4.350 -0.004 0.000 0.193 558 E C 1.387 178.056 176.600 0.115 0.000 0.985 558 E CA 0.876 57.329 56.400 0.089 0.000 0.814 558 E CB 0.081 29.857 29.700 0.126 0.000 0.752 558 E HN 0.470 nan 8.360 nan 0.000 0.466 559 E N 1.939 122.164 120.200 0.042 0.000 2.051 559 E HA -0.157 4.191 4.350 -0.004 0.000 0.192 559 E C 2.405 179.062 176.600 0.096 0.000 0.991 559 E CA 0.610 56.988 56.400 -0.037 0.000 0.799 559 E CB -0.821 28.643 29.700 -0.394 0.000 0.748 559 E HN 0.258 nan 8.360 nan 0.000 0.449 560 L N 0.931 122.189 121.223 0.058 0.000 2.012 560 L HA -0.171 4.167 4.340 -0.004 0.000 0.210 560 L C 2.782 179.742 176.870 0.151 0.000 1.073 560 L CA 1.793 56.685 54.840 0.086 0.000 0.748 560 L CB -0.407 41.677 42.059 0.042 0.000 0.891 560 L HN 0.354 nan 8.230 nan 0.000 0.431 561 C N 0.255 119.638 119.300 0.138 0.000 2.413 561 C HA -0.208 4.249 4.460 -0.004 0.000 0.276 561 C C 2.755 177.872 174.990 0.211 0.000 1.236 561 C CA 1.001 60.126 59.018 0.179 0.000 1.735 561 C CB -1.003 26.805 27.740 0.114 0.000 2.031 561 C HN 0.545 nan 8.230 nan 0.000 0.474 562 L N 0.618 121.965 121.223 0.205 0.000 2.093 562 L HA -0.098 4.240 4.340 -0.004 0.000 0.208 562 L C 3.049 180.154 176.870 0.392 0.000 1.085 562 L CA 1.570 56.556 54.840 0.243 0.000 0.755 562 L CB -0.840 41.315 42.059 0.160 0.000 0.904 562 L HN 0.373 nan 8.230 nan 0.000 0.435 563 R N 0.405 121.155 120.500 0.416 0.000 2.083 563 R HA -0.251 4.087 4.340 -0.004 0.000 0.237 563 R C 2.346 178.787 176.300 0.234 0.000 1.137 563 R CA 2.054 58.319 56.100 0.275 0.000 0.951 563 R CB -0.784 29.619 30.300 0.172 0.000 0.851 563 R HN 0.349 nan 8.270 nan 0.000 0.434 564 F N 0.964 120.944 119.950 0.050 0.000 2.075 564 F HA -0.257 4.268 4.527 -0.004 0.000 0.297 564 F C 2.500 178.303 175.800 0.006 0.000 1.113 564 F CA 1.686 59.677 58.000 -0.014 0.000 1.218 564 F CB -0.137 38.849 39.000 -0.025 0.000 0.984 564 F HN -0.013 nan 8.300 nan 0.000 0.472 565 M N 0.115 119.649 119.600 -0.111 0.000 2.108 565 M HA -0.321 4.157 4.480 -0.004 0.000 0.257 565 M C 2.326 178.577 176.300 -0.082 0.000 1.071 565 M CA 2.167 57.357 55.300 -0.184 0.000 1.093 565 M CB -0.659 31.916 32.600 -0.042 0.000 1.345 565 M HN 0.172 nan 8.290 nan 0.000 0.403 566 R N 0.288 120.823 120.500 0.057 0.000 2.096 566 R HA -0.220 4.118 4.340 -0.004 0.000 0.235 566 R C 1.958 178.270 176.300 0.019 0.000 1.127 566 R CA 1.968 58.115 56.100 0.078 0.000 0.968 566 R CB -0.100 30.287 30.300 0.145 0.000 0.861 566 R HN 0.277 nan 8.270 nan 0.000 0.440 567 E N -0.094 120.114 120.200 0.014 0.000 2.028 567 E HA -0.118 4.230 4.350 -0.004 0.000 0.191 567 E C 1.872 178.454 176.600 -0.029 0.000 0.988 567 E CA 1.592 58.012 56.400 0.034 0.000 0.799 567 E CB -0.137 29.623 29.700 0.100 0.000 0.755 567 E HN 0.164 nan 8.360 nan 0.000 0.447 568 V N 1.238 121.052 119.914 -0.167 0.000 2.252 568 V HA -0.305 3.813 4.120 -0.004 0.000 0.249 568 V C 2.475 178.506 176.094 -0.106 0.000 1.056 568 V CA 2.394 64.572 62.300 -0.203 0.000 1.022 568 V CB -0.697 30.886 31.823 -0.400 0.000 0.641 568 V HN 0.438 nan 8.190 nan 0.000 0.445 569 E N -0.462 119.686 120.200 -0.088 0.000 2.049 569 E HA -0.317 4.031 4.350 -0.004 0.000 0.198 569 E C 2.383 178.975 176.600 -0.014 0.000 1.007 569 E CA 1.714 58.091 56.400 -0.039 0.000 0.809 569 E CB -0.227 29.465 29.700 -0.013 0.000 0.749 569 E HN 0.523 nan 8.360 nan 0.000 0.450 570 Q N 0.504 120.304 119.800 -0.001 0.000 2.045 570 Q HA -0.196 4.142 4.340 -0.004 0.000 0.206 570 Q C 2.430 178.435 176.000 0.010 0.000 0.991 570 Q CA 1.717 57.527 55.803 0.012 0.000 0.851 570 Q CB -0.351 28.400 28.738 0.022 0.000 0.911 570 Q HN 0.420 nan 8.270 nan 0.000 0.418 571 L N -0.267 120.961 121.223 0.009 0.000 2.217 571 L HA -0.119 4.219 4.340 -0.004 0.000 0.211 571 L C 2.157 179.027 176.870 -0.000 0.000 1.107 571 L CA 0.510 55.358 54.840 0.013 0.000 0.783 571 L CB -0.206 41.870 42.059 0.029 0.000 0.919 571 L HN 0.203 nan 8.230 nan 0.000 0.442 572 M N -1.824 117.769 119.600 -0.013 0.000 2.465 572 M HA 0.187 4.665 4.480 -0.004 0.000 0.249 572 M C 0.545 176.841 176.300 -0.006 0.000 1.130 572 M CA 0.509 55.800 55.300 -0.016 0.000 1.067 572 M CB -0.127 32.453 32.600 -0.033 0.000 1.394 572 M HN 0.022 nan 8.290 nan 0.000 0.483 573 T N 0.000 114.554 114.554 -0.000 0.000 3.816 573 T HA 0.000 4.348 4.350 -0.004 0.000 0.228 573 T CA 0.000 62.106 62.100 0.010 0.000 1.349 573 T CB 0.000 68.876 68.868 0.014 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658