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 1xwt_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFNNNPSSVG AYSSGTYRNL AQEMGKTNIQ QKVNSTFDNM FGYNNTQQLY DATA SEQUENCE YPYTENGVYK AHYIKAINPD EGDDIRTEGQ SWGMTAAVML NKQEEFDNLW DATA SEQUENCE RFAKAYQKNP DNHPDAKKQG VYAWKLKLNQ NGFVYKVDEG PAPDGEEYFA DATA SEQUENCE FALLNASARW GNSGEFNYYN DAITMLNTIK NKLMENQIIR FSPYIDNLTD DATA SEQUENCE PSYHIPAFYD YFANNVTNQA DKNYWRQVAT KSRTLLKNHF TKVSGSPHWN DATA SEQUENCE LPTFLSRLDG SPVIGYIFNG QANPGQWYEF NAWRVIMNVG LDAHLMGAQA DATA SEQUENCE WHKSAVNKAL GFLSYAKTNN SKNcYEQVYS YGGAQNRGcA GEGQKAANAV DATA SEQUENCE ALLASTNAGQ ANEFFNEFWS LSQPTGDYRY YNGSLYMLAM LHVSGNFKFY DATA SEQUENCE NNTF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.007 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 2 F N 2.314 122.189 119.950 -0.126 0.000 2.608 2 F HA 0.308 5.340 4.527 0.841 0.000 0.380 2 F C 0.712 176.443 175.800 -0.115 0.000 1.083 2 F CA 0.181 58.096 58.000 -0.141 0.000 1.266 2 F CB 0.476 39.402 39.000 -0.123 0.000 1.076 2 F HN 0.605 nan 8.300 nan 0.000 0.574 3 N N 5.498 123.722 118.700 -0.793 0.000 2.448 3 N HA -0.015 5.224 4.740 0.831 0.000 0.250 3 N C 0.345 175.180 175.510 -1.124 0.000 1.136 3 N CA -0.197 52.422 53.050 -0.717 0.000 0.953 3 N CB -0.235 37.964 38.487 -0.481 0.000 1.251 3 N HN 0.666 nan 8.380 nan 0.000 0.502 4 N N 2.150 120.433 118.700 -0.695 0.000 2.370 4 N HA -0.039 5.200 4.740 0.831 0.000 0.198 4 N C -0.492 174.877 175.510 -0.236 0.000 1.156 4 N CA 0.029 52.839 53.050 -0.399 0.000 0.839 4 N CB -0.130 38.350 38.487 -0.012 0.000 0.989 4 N HN 0.300 nan 8.380 nan 0.000 0.468 5 N N 1.480 120.020 118.700 -0.267 0.000 2.813 5 N HA 0.273 5.512 4.740 0.831 0.000 0.282 5 N C -2.804 172.586 175.510 -0.200 0.000 1.748 5 N CA -1.671 51.269 53.050 -0.184 0.000 0.860 5 N CB 0.768 39.171 38.487 -0.140 0.000 1.204 5 N HN 0.078 nan 8.380 nan 0.000 0.490 6 P HA 0.018 nan 4.420 nan 0.000 0.265 6 P C 0.068 177.265 177.300 -0.172 0.000 1.193 6 P CA 0.034 63.006 63.100 -0.213 0.000 0.765 6 P CB 0.890 32.458 31.700 -0.221 0.000 0.823 7 S N 1.533 117.141 115.700 -0.154 0.000 2.560 7 S HA 0.053 5.022 4.470 0.831 0.000 0.284 7 S C 1.577 176.096 174.600 -0.136 0.000 1.327 7 S CA 0.047 58.169 58.200 -0.130 0.000 1.055 7 S CB -0.010 63.120 63.200 -0.117 0.000 0.868 7 S HN 0.517 nan 8.310 nan 0.000 0.506 8 S N 3.344 118.978 115.700 -0.110 0.000 2.522 8 S HA 0.035 5.003 4.470 0.831 0.000 0.227 8 S C 0.544 175.093 174.600 -0.085 0.000 0.986 8 S CA -0.003 58.139 58.200 -0.097 0.000 0.929 8 S CB -0.165 62.999 63.200 -0.060 0.000 0.769 8 S HN 0.578 nan 8.310 nan 0.000 0.529 9 V N 2.282 122.142 119.914 -0.090 0.000 2.383 9 V HA 0.695 5.313 4.120 0.831 0.000 0.275 9 V C 0.677 176.699 176.094 -0.120 0.000 1.036 9 V CA -0.380 61.868 62.300 -0.087 0.000 0.889 9 V CB 0.634 32.410 31.823 -0.078 0.000 0.985 9 V HN 0.442 nan 8.190 nan 0.000 0.459 10 G N 4.250 112.978 108.800 -0.120 0.000 2.572 10 G HA2 0.461 4.920 3.960 0.831 0.000 0.261 10 G HA3 0.461 4.920 3.960 0.831 0.000 0.261 10 G C 1.033 175.780 174.900 -0.255 0.000 1.197 10 G CA 0.038 45.032 45.100 -0.177 0.000 0.870 10 G HN 1.269 nan 8.290 nan 0.000 0.548 11 A N 0.413 122.961 122.820 -0.454 0.000 1.978 11 A HA -0.140 4.679 4.320 0.831 0.000 0.220 11 A C 2.013 179.277 177.584 -0.534 0.000 1.170 11 A CA 1.795 53.381 52.037 -0.751 0.000 0.636 11 A CB -0.634 17.428 19.000 -1.564 0.000 0.810 11 A HN 0.771 nan 8.150 nan 0.000 0.448 12 Y N 0.722 120.732 120.300 -0.484 0.000 2.224 12 Y HA -0.130 4.919 4.550 0.832 0.000 0.289 12 Y C 2.856 178.699 175.900 -0.096 0.000 1.146 12 Y CA 1.170 59.137 58.100 -0.222 0.000 1.182 12 Y CB -0.711 37.680 38.460 -0.116 0.000 0.983 12 Y HN 0.353 nan 8.280 nan 0.000 0.524 13 S N -1.136 114.497 115.700 -0.111 0.000 2.377 13 S HA -0.101 4.867 4.470 0.831 0.000 0.223 13 S C 2.232 176.760 174.600 -0.120 0.000 1.030 13 S CA 1.395 59.504 58.200 -0.151 0.000 0.970 13 S CB -0.659 62.477 63.200 -0.106 0.000 0.830 13 S HN 0.615 nan 8.310 nan 0.000 0.473 14 S N -0.433 115.188 115.700 -0.132 0.000 2.458 14 S HA 0.331 5.300 4.470 0.831 0.000 0.223 14 S C 1.760 176.304 174.600 -0.094 0.000 1.019 14 S CA 1.004 59.137 58.200 -0.111 0.000 0.937 14 S CB -0.503 62.621 63.200 -0.126 0.000 0.788 14 S HN 1.318 nan 8.310 nan 0.000 0.511 15 G N 0.695 109.425 108.800 -0.116 0.000 2.184 15 G HA2 -0.235 4.224 3.960 0.831 0.000 0.264 15 G HA3 -0.235 4.224 3.960 0.831 0.000 0.264 15 G C 0.160 175.039 174.900 -0.035 0.000 0.975 15 G CA 0.506 45.583 45.100 -0.038 0.000 0.642 15 G HN 0.650 nan 8.290 nan 0.000 0.536 16 T N 1.186 115.648 114.554 -0.155 0.000 2.762 16 T HA 0.529 5.378 4.350 0.831 0.000 0.303 16 T C -0.541 174.036 174.700 -0.205 0.000 0.977 16 T CA -0.112 61.933 62.100 -0.092 0.000 0.961 16 T CB 0.560 69.376 68.868 -0.087 0.000 0.944 16 T HN 0.228 nan 8.240 nan 0.000 0.481 17 Y N 2.486 122.782 120.300 -0.006 0.000 2.326 17 Y HA 0.387 5.435 4.550 0.830 0.000 0.337 17 Y C 1.234 177.229 175.900 0.159 0.000 1.023 17 Y CA -1.000 57.151 58.100 0.085 0.000 1.143 17 Y CB 0.842 39.320 38.460 0.031 0.000 1.183 17 Y HN 0.394 nan 8.280 nan 0.000 0.485 18 R N 1.938 122.683 120.500 0.409 0.000 2.643 18 R HA 0.059 4.898 4.340 0.831 0.000 0.270 18 R C -0.167 176.172 176.300 0.064 0.000 1.061 18 R CA -0.216 55.929 56.100 0.076 0.000 1.107 18 R CB 0.302 30.487 30.300 -0.191 0.000 0.999 18 R HN 0.509 nan 8.270 nan 0.000 0.460 19 N N 3.179 121.878 118.700 -0.003 0.000 2.706 19 N HA 0.018 5.257 4.740 0.831 0.000 0.240 19 N C 0.285 175.736 175.510 -0.097 0.000 1.039 19 N CA -0.220 52.825 53.050 -0.008 0.000 0.888 19 N CB 0.996 39.488 38.487 0.009 0.000 1.128 19 N HN 0.466 nan 8.380 nan 0.000 0.512 20 L N 4.231 125.379 121.223 -0.125 0.000 2.046 20 L HA 0.032 4.871 4.340 0.831 0.000 0.208 20 L C 1.998 178.594 176.870 -0.457 0.000 1.077 20 L CA 2.079 56.778 54.840 -0.235 0.000 0.747 20 L CB -0.634 41.322 42.059 -0.172 0.000 0.896 20 L HN 0.563 nan 8.230 nan 0.000 0.432 21 A N -1.116 121.483 122.820 -0.369 0.000 1.933 21 A HA -0.290 4.529 4.320 0.831 0.000 0.218 21 A C 2.330 179.663 177.584 -0.418 0.000 1.175 21 A CA 1.879 53.597 52.037 -0.531 0.000 0.628 21 A CB -0.664 18.108 19.000 -0.380 0.000 0.814 21 A HN 0.675 nan 8.150 nan 0.000 0.444 22 Q N -0.396 119.263 119.800 -0.235 0.000 2.083 22 Q HA -0.186 4.652 4.340 0.831 0.000 0.198 22 Q C 1.861 177.759 176.000 -0.170 0.000 0.969 22 Q CA 1.511 57.219 55.803 -0.158 0.000 0.838 22 Q CB -0.164 28.524 28.738 -0.084 0.000 0.900 22 Q HN 0.768 nan 8.270 nan 0.000 0.436 23 E N -0.181 119.907 120.200 -0.187 0.000 2.130 23 E HA -0.193 4.656 4.350 0.831 0.000 0.196 23 E C 1.500 177.998 176.600 -0.170 0.000 0.998 23 E CA 1.069 57.375 56.400 -0.157 0.000 0.806 23 E CB 0.031 29.644 29.700 -0.145 0.000 0.738 23 E HN 0.420 nan 8.360 nan 0.000 0.459 24 M N -0.813 118.602 119.600 -0.308 0.000 2.563 24 M HA 0.140 5.119 4.480 0.831 0.000 0.231 24 M C 1.174 177.349 176.300 -0.209 0.000 1.136 24 M CA 0.625 55.736 55.300 -0.315 0.000 1.026 24 M CB 0.076 32.283 32.600 -0.654 0.000 1.597 24 M HN 0.254 nan 8.290 nan 0.000 0.495 25 G N 0.922 109.617 108.800 -0.174 0.000 2.136 25 G HA2 -0.212 4.247 3.960 0.831 0.000 0.242 25 G HA3 -0.212 4.247 3.960 0.831 0.000 0.242 25 G C 0.139 174.982 174.900 -0.096 0.000 0.989 25 G CA -0.029 45.009 45.100 -0.103 0.000 0.682 25 G HN 0.321 nan 8.290 nan 0.000 0.522 26 K N 0.965 121.259 120.400 -0.176 0.000 2.126 26 K HA 0.683 5.501 4.320 0.831 0.000 0.257 26 K C 0.896 177.491 176.600 -0.009 0.000 1.007 26 K CA 0.434 56.639 56.287 -0.137 0.000 0.928 26 K CB 0.993 33.191 32.500 -0.502 0.000 1.013 26 K HN 0.582 nan 8.250 nan 0.000 0.473 27 T N -2.484 112.140 114.554 0.116 0.000 2.926 27 T HA 0.323 5.172 4.350 0.831 0.000 0.289 27 T C -0.007 174.822 174.700 0.215 0.000 1.054 27 T CA -0.708 61.470 62.100 0.131 0.000 1.015 27 T CB 0.779 69.707 68.868 0.101 0.000 1.167 27 T HN 0.664 nan 8.240 nan 0.000 0.526 28 N N -0.952 117.846 118.700 0.163 0.000 2.721 28 N HA -0.208 5.031 4.740 0.831 0.000 0.249 28 N C 0.347 176.001 175.510 0.240 0.000 1.072 28 N CA 1.181 54.331 53.050 0.167 0.000 0.710 28 N CB -2.136 36.436 38.487 0.141 0.000 0.993 28 N HN 0.705 nan 8.380 nan 0.000 0.547 29 I N -1.099 119.626 120.570 0.259 0.000 2.163 29 I HA -0.273 4.395 4.170 0.831 0.000 0.240 29 I C 2.292 178.576 176.117 0.278 0.000 1.081 29 I CA 1.199 62.718 61.300 0.364 0.000 1.353 29 I CB -0.329 37.816 38.000 0.242 0.000 1.054 29 I HN 0.344 nan 8.210 nan 0.000 0.407 30 Q N 0.134 120.041 119.800 0.179 0.000 2.119 30 Q HA -0.220 4.619 4.340 0.831 0.000 0.201 30 Q C 2.183 178.255 176.000 0.120 0.000 0.972 30 Q CA 1.417 57.301 55.803 0.136 0.000 0.847 30 Q CB -0.779 28.015 28.738 0.093 0.000 0.903 30 Q HN 0.493 nan 8.270 nan 0.000 0.433 31 Q N 1.065 120.933 119.800 0.114 0.000 2.096 31 Q HA -0.195 4.644 4.340 0.831 0.000 0.204 31 Q C 2.110 178.164 176.000 0.091 0.000 0.982 31 Q CA 2.128 57.985 55.803 0.091 0.000 0.850 31 Q CB -0.149 28.637 28.738 0.081 0.000 0.901 31 Q HN 0.534 nan 8.270 nan 0.000 0.422 32 K N -0.929 119.534 120.400 0.105 0.000 2.057 32 K HA -0.078 4.740 4.320 0.831 0.000 0.206 32 K C 2.041 178.691 176.600 0.085 0.000 1.050 32 K CA 1.464 57.781 56.287 0.049 0.000 0.935 32 K CB -0.269 32.209 32.500 -0.038 0.000 0.715 32 K HN 0.320 nan 8.250 nan 0.000 0.439 33 V N 2.177 122.177 119.914 0.143 0.000 2.287 33 V HA -0.285 4.334 4.120 0.831 0.000 0.248 33 V C 1.882 178.076 176.094 0.167 0.000 1.053 33 V CA 2.021 64.420 62.300 0.166 0.000 1.027 33 V CB -0.665 31.264 31.823 0.177 0.000 0.646 33 V HN 0.419 nan 8.190 nan 0.000 0.447 34 N N 0.197 118.975 118.700 0.130 0.000 2.142 34 N HA -0.114 5.125 4.740 0.831 0.000 0.186 34 N C 2.081 177.685 175.510 0.158 0.000 1.023 34 N CA 1.728 54.851 53.050 0.122 0.000 0.852 34 N CB -0.504 38.026 38.487 0.073 0.000 0.998 34 N HN 0.390 nan 8.380 nan 0.000 0.424 35 S N 0.051 115.824 115.700 0.123 0.000 2.383 35 S HA -0.065 4.904 4.470 0.831 0.000 0.227 35 S C 1.971 176.656 174.600 0.141 0.000 1.026 35 S CA 1.180 59.446 58.200 0.109 0.000 0.981 35 S CB -0.389 62.849 63.200 0.065 0.000 0.818 35 S HN 0.410 nan 8.310 nan 0.000 0.472 36 T N 1.708 116.368 114.554 0.176 0.000 2.674 36 T HA -0.081 4.767 4.350 0.831 0.000 0.265 36 T C 1.423 176.279 174.700 0.261 0.000 1.039 36 T CA 1.298 63.536 62.100 0.230 0.000 1.150 36 T CB -0.469 68.570 68.868 0.285 0.000 0.864 36 T HN 0.412 nan 8.240 nan 0.000 0.427 37 F N 2.282 122.332 119.950 0.168 0.000 2.095 37 F HA -0.151 4.875 4.527 0.831 0.000 0.298 37 F C 2.011 177.931 175.800 0.199 0.000 1.104 37 F CA 1.502 59.613 58.000 0.185 0.000 1.232 37 F CB -0.309 38.709 39.000 0.031 0.000 0.987 37 F HN 0.057 nan 8.300 nan 0.000 0.475 38 D N 0.051 120.635 120.400 0.308 0.000 2.144 38 D HA -0.177 4.961 4.640 0.831 0.000 0.199 38 D C 1.886 178.241 176.300 0.091 0.000 0.984 38 D CA 1.205 55.321 54.000 0.194 0.000 0.834 38 D CB -0.518 40.372 40.800 0.151 0.000 0.955 38 D HN 0.321 nan 8.370 nan 0.000 0.465 39 N N 0.141 118.889 118.700 0.081 0.000 2.216 39 N HA -0.075 5.164 4.740 0.831 0.000 0.183 39 N C 1.814 177.328 175.510 0.008 0.000 1.017 39 N CA 0.362 53.436 53.050 0.040 0.000 0.861 39 N CB -0.316 38.191 38.487 0.034 0.000 0.986 39 N HN 0.258 nan 8.380 nan 0.000 0.428 40 M N -0.705 118.898 119.600 0.004 0.000 2.175 40 M HA -0.037 4.942 4.480 0.831 0.000 0.264 40 M C 0.223 176.353 176.300 -0.283 0.000 1.063 40 M CA 1.507 56.747 55.300 -0.100 0.000 1.119 40 M CB 0.061 32.630 32.600 -0.051 0.000 1.377 40 M HN -0.074 nan 8.290 nan 0.000 0.415 41 F N 0.170 119.917 119.950 -0.338 0.000 2.639 41 F HA 0.395 5.420 4.527 0.830 0.000 0.300 41 F C 0.985 176.714 175.800 -0.117 0.000 1.109 41 F CA -0.381 57.396 58.000 -0.372 0.000 1.335 41 F CB -0.042 38.404 39.000 -0.922 0.000 1.014 41 F HN 0.036 nan 8.300 nan 0.000 0.537 42 G N -1.419 107.409 108.800 0.047 0.000 2.454 42 G HA2 0.333 4.791 3.960 0.831 0.000 0.329 42 G HA3 0.333 4.791 3.960 0.831 0.000 0.329 42 G C -1.226 173.745 174.900 0.118 0.000 1.177 42 G CA -0.335 44.774 45.100 0.015 0.000 0.951 42 G HN -0.008 nan 8.290 nan 0.000 0.485 43 Y N 1.487 121.777 120.300 -0.017 0.000 2.735 43 Y HA 0.126 5.175 4.550 0.831 0.000 0.354 43 Y C 1.222 177.091 175.900 -0.051 0.000 1.288 43 Y CA -1.596 56.461 58.100 -0.072 0.000 1.836 43 Y CB -0.237 38.203 38.460 -0.033 0.000 1.920 43 Y HN 0.714 nan 8.280 nan 0.000 0.438 44 N N -0.592 118.158 118.700 0.084 0.000 2.197 44 N HA -0.050 5.188 4.740 0.831 0.000 0.201 44 N C 0.158 175.691 175.510 0.038 0.000 1.148 44 N CA 0.270 53.350 53.050 0.051 0.000 0.883 44 N CB -0.340 38.168 38.487 0.035 0.000 1.012 44 N HN 0.299 nan 8.380 nan 0.000 0.507 45 N N -1.212 117.507 118.700 0.032 0.000 2.696 45 N HA -0.262 4.977 4.740 0.831 0.000 0.249 45 N C -0.616 174.932 175.510 0.064 0.000 1.090 45 N CA 1.395 54.491 53.050 0.077 0.000 0.716 45 N CB -1.945 36.596 38.487 0.089 0.000 1.020 45 N HN 0.380 nan 8.380 nan 0.000 0.548 46 T N 0.126 114.704 114.554 0.041 0.000 3.447 46 T HA 0.059 4.908 4.350 0.831 0.000 0.218 46 T C 1.493 176.206 174.700 0.021 0.000 0.972 46 T CA 0.656 62.771 62.100 0.026 0.000 1.264 46 T CB -0.105 68.771 68.868 0.013 0.000 1.284 46 T HN 0.128 nan 8.240 nan 0.000 0.361 47 Q N 1.328 121.132 119.800 0.007 0.000 2.398 47 Q HA 0.223 5.062 4.340 0.831 0.000 0.204 47 Q C 0.940 176.946 176.000 0.010 0.000 0.932 47 Q CA 0.111 55.913 55.803 -0.001 0.000 0.916 47 Q CB -0.098 28.630 28.738 -0.018 0.000 1.024 47 Q HN 0.488 nan 8.270 nan 0.000 0.504 48 Q N 0.743 120.543 119.800 0.000 0.000 2.308 48 Q HA -0.087 4.752 4.340 0.831 0.000 0.313 48 Q C -0.024 175.991 176.000 0.025 0.000 1.075 48 Q CA 0.508 56.275 55.803 -0.060 0.000 0.995 48 Q CB 0.391 29.034 28.738 -0.159 0.000 1.107 48 Q HN 0.392 nan 8.270 nan 0.000 0.380 49 L N 4.142 125.340 121.223 -0.042 0.000 2.749 49 L HA 0.198 5.037 4.340 0.831 0.000 0.242 49 L C -0.133 176.785 176.870 0.081 0.000 1.103 49 L CA -0.288 54.617 54.840 0.107 0.000 0.906 49 L CB 0.467 42.565 42.059 0.065 0.000 1.228 49 L HN 0.659 nan 8.230 nan 0.000 0.517 50 Y N 0.633 120.719 120.300 -0.356 0.000 2.367 50 Y HA 0.438 5.487 4.550 0.831 0.000 0.342 50 Y C -1.138 174.590 175.900 -0.287 0.000 0.979 50 Y CA -0.573 57.352 58.100 -0.291 0.000 1.161 50 Y CB 0.394 38.574 38.460 -0.467 0.000 1.155 50 Y HN -0.114 nan 8.280 nan 0.000 0.503 51 Y N 7.325 127.294 120.300 -0.552 0.000 2.462 51 Y HA 0.452 5.500 4.550 0.830 0.000 0.346 51 Y C -2.349 172.970 175.900 -0.967 0.000 0.976 51 Y CA -2.732 54.938 58.100 -0.717 0.000 1.044 51 Y CB 1.991 39.959 38.460 -0.819 0.000 1.230 51 Y HN 0.521 nan 8.280 nan 0.000 0.455 52 P HA 0.046 nan 4.420 nan 0.000 0.278 52 P C -1.409 175.827 177.300 -0.106 0.000 1.238 52 P CA -0.061 62.623 63.100 -0.695 0.000 0.794 52 P CB 1.164 32.631 31.700 -0.388 0.000 0.955 53 Y N 2.417 122.694 120.300 -0.038 0.000 2.328 53 Y HA 0.472 5.521 4.550 0.832 0.000 0.337 53 Y C -0.319 175.578 175.900 -0.004 0.000 0.966 53 Y CA -0.288 57.879 58.100 0.111 0.000 1.136 53 Y CB 1.103 39.754 38.460 0.319 0.000 1.170 53 Y HN 0.426 nan 8.280 nan 0.000 0.470 54 T N 2.361 116.570 114.554 -0.574 0.000 2.908 54 T HA 0.647 5.495 4.350 0.831 0.000 0.290 54 T C -0.998 173.296 174.700 -0.677 0.000 1.034 54 T CA -0.997 60.812 62.100 -0.486 0.000 1.010 54 T CB 2.042 70.798 68.868 -0.186 0.000 1.068 54 T HN 0.669 nan 8.240 nan 0.000 0.481 55 E N 1.678 121.648 120.200 -0.382 0.000 2.216 55 E HA 0.326 5.175 4.350 0.831 0.000 0.260 55 E C -0.539 176.052 176.600 -0.014 0.000 0.880 55 E CA -1.029 55.278 56.400 -0.154 0.000 0.765 55 E CB 1.032 30.754 29.700 0.037 0.000 1.174 55 E HN 0.723 nan 8.360 nan 0.000 0.417 56 N N 2.288 120.992 118.700 0.006 0.000 2.727 56 N HA -0.248 4.991 4.740 0.831 0.000 0.249 56 N C 0.699 176.207 175.510 -0.004 0.000 1.048 56 N CA 1.356 54.425 53.050 0.032 0.000 0.714 56 N CB -1.039 37.507 38.487 0.098 0.000 0.959 56 N HN 1.063 nan 8.380 nan 0.000 0.544 57 G N -2.606 106.169 108.800 -0.043 0.000 2.179 57 G HA2 -0.333 4.126 3.960 0.831 0.000 0.260 57 G HA3 -0.333 4.126 3.960 0.831 0.000 0.260 57 G C 0.036 174.939 174.900 0.005 0.000 0.977 57 G CA 0.357 45.444 45.100 -0.022 0.000 0.641 57 G HN 0.459 nan 8.290 nan 0.000 0.533 58 V N 1.351 121.264 119.914 -0.001 0.000 2.383 58 V HA 0.482 5.101 4.120 0.831 0.000 0.275 58 V C 0.461 176.570 176.094 0.025 0.000 1.036 58 V CA -1.073 61.247 62.300 0.034 0.000 0.889 58 V CB 1.108 32.949 31.823 0.030 0.000 0.985 58 V HN 0.364 nan 8.190 nan 0.000 0.459 59 Y N 6.353 126.660 120.300 0.013 0.000 2.620 59 Y HA 0.125 5.173 4.550 0.831 0.000 0.330 59 Y C 1.107 177.062 175.900 0.091 0.000 1.186 59 Y CA 0.517 58.642 58.100 0.042 0.000 1.467 59 Y CB 0.552 39.065 38.460 0.089 0.000 1.262 59 Y HN 0.589 nan 8.280 nan 0.000 0.550 60 K N 4.600 124.497 120.400 -0.837 0.000 2.313 60 K HA 0.566 5.385 4.320 0.831 0.000 0.215 60 K C -0.177 176.093 176.600 -0.551 0.000 1.109 60 K CA 0.703 56.721 56.287 -0.449 0.000 0.895 60 K CB 0.067 32.578 32.500 0.019 0.000 1.234 60 K HN 0.651 nan 8.250 nan 0.000 0.463 61 A N 0.329 122.923 122.820 -0.376 0.000 2.483 61 A HA 0.626 5.445 4.320 0.831 0.000 0.306 61 A C -1.685 176.201 177.584 0.503 0.000 1.137 61 A CA -0.606 51.594 52.037 0.271 0.000 0.626 61 A CB 0.786 20.118 19.000 0.553 0.000 1.352 61 A HN 0.284 nan 8.150 nan 0.000 0.508 62 H N -1.380 117.943 119.070 0.420 0.000 2.731 62 H HA 0.726 5.780 4.556 0.831 0.000 0.368 62 H C -1.157 174.170 175.328 -0.001 0.000 1.168 62 H CA 0.047 56.180 56.048 0.143 0.000 1.181 62 H CB 1.606 31.318 29.762 -0.083 0.000 1.743 62 H HN 0.748 nan 8.280 nan 0.000 0.547 63 Y N -0.813 119.343 120.300 -0.240 0.000 2.581 63 Y HA 0.543 5.592 4.550 0.831 0.000 0.345 63 Y C -1.363 174.499 175.900 -0.064 0.000 1.036 63 Y CA -1.521 56.331 58.100 -0.414 0.000 1.042 63 Y CB 0.892 38.695 38.460 -1.095 0.000 1.289 63 Y HN 0.305 nan 8.280 nan 0.000 0.471 64 I N 2.948 123.603 120.570 0.141 0.000 2.337 64 I HA 0.215 4.884 4.170 0.831 0.000 0.291 64 I C 0.027 176.297 176.117 0.255 0.000 1.046 64 I CA -0.475 60.942 61.300 0.195 0.000 1.324 64 I CB 0.893 39.058 38.000 0.274 0.000 1.409 64 I HN 0.682 nan 8.210 nan 0.000 0.494 65 K N 5.781 126.305 120.400 0.206 0.000 2.285 65 K HA 0.444 5.263 4.320 0.831 0.000 0.286 65 K C -0.010 176.613 176.600 0.039 0.000 1.072 65 K CA -0.432 55.932 56.287 0.127 0.000 0.913 65 K CB 0.758 33.183 32.500 -0.124 0.000 1.067 65 K HN 0.721 nan 8.250 nan 0.000 0.479 66 A N 6.975 129.653 122.820 -0.237 0.000 2.915 66 A HA 0.209 5.028 4.320 0.831 0.000 0.292 66 A C 0.141 177.563 177.584 -0.271 0.000 1.632 66 A CA -0.513 51.144 52.037 -0.634 0.000 1.337 66 A CB -0.697 17.657 19.000 -1.077 0.000 1.111 66 A HN 0.825 nan 8.150 nan 0.000 0.569 67 I N 1.975 122.493 120.570 -0.085 0.000 2.752 67 I HA -0.047 4.622 4.170 0.831 0.000 0.289 67 I C 0.520 176.585 176.117 -0.086 0.000 1.197 67 I CA 0.532 61.785 61.300 -0.079 0.000 1.432 67 I CB 0.309 38.293 38.000 -0.027 0.000 1.359 67 I HN 0.599 nan 8.210 nan 0.000 0.571 68 N N 8.657 127.287 118.700 -0.117 0.000 2.629 68 N HA 0.230 5.469 4.740 0.831 0.000 0.277 68 N C -2.133 173.312 175.510 -0.108 0.000 1.188 68 N CA -1.506 51.481 53.050 -0.105 0.000 0.835 68 N CB 1.853 40.282 38.487 -0.098 0.000 1.420 68 N HN 0.157 nan 8.380 nan 0.000 0.542 69 P HA 0.040 nan 4.420 nan 0.000 0.225 69 P C 0.176 177.445 177.300 -0.052 0.000 1.156 69 P CA 0.865 63.899 63.100 -0.110 0.000 0.787 69 P CB 0.804 32.404 31.700 -0.167 0.000 0.802 70 D N 0.023 120.408 120.400 -0.024 0.000 2.183 70 D HA -0.056 5.083 4.640 0.831 0.000 0.205 70 D C 1.218 177.515 176.300 -0.005 0.000 0.962 70 D CA 0.986 54.991 54.000 0.008 0.000 0.849 70 D CB 0.050 40.878 40.800 0.046 0.000 0.978 70 D HN 0.208 nan 8.370 nan 0.000 0.488 71 E N -0.616 119.571 120.200 -0.021 0.000 2.601 71 E HA 0.450 5.299 4.350 0.831 0.000 0.219 71 E C 0.532 177.102 176.600 -0.050 0.000 0.964 71 E CA 0.142 56.526 56.400 -0.027 0.000 1.050 71 E CB 1.221 30.908 29.700 -0.021 0.000 1.068 71 E HN 0.450 nan 8.360 nan 0.000 0.496 72 G N 1.769 110.531 108.800 -0.063 0.000 2.785 72 G HA2 -0.140 4.319 3.960 0.831 0.000 0.686 72 G HA3 -0.140 4.319 3.960 0.831 0.000 0.686 72 G C -0.934 173.898 174.900 -0.114 0.000 1.155 72 G CA -0.621 44.431 45.100 -0.080 0.000 0.760 72 G HN 0.154 nan 8.290 nan 0.000 0.624 73 D N 1.422 121.746 120.400 -0.126 0.000 2.472 73 D HA 0.438 5.577 4.640 0.831 0.000 0.237 73 D C 0.807 176.988 176.300 -0.197 0.000 1.141 73 D CA 1.344 55.248 54.000 -0.159 0.000 0.875 73 D CB 1.139 41.843 40.800 -0.159 0.000 1.192 73 D HN 0.785 nan 8.370 nan 0.000 0.450 74 D N -0.348 119.907 120.400 -0.243 0.000 2.781 74 D HA 0.609 5.748 4.640 0.831 0.000 0.295 74 D C -0.773 175.338 176.300 -0.315 0.000 1.143 74 D CA -0.708 53.109 54.000 -0.305 0.000 1.076 74 D CB 0.655 41.249 40.800 -0.342 0.000 1.444 74 D HN 0.260 nan 8.370 nan 0.000 0.567 75 I N -0.675 119.694 120.570 -0.334 0.000 2.534 75 I HA 0.455 5.124 4.170 0.831 0.000 0.288 75 I C -0.506 175.499 176.117 -0.187 0.000 1.077 75 I CA -0.793 60.358 61.300 -0.248 0.000 1.051 75 I CB 1.854 39.668 38.000 -0.311 0.000 1.234 75 I HN 0.132 nan 8.210 nan 0.000 0.425 76 R N 2.233 122.677 120.500 -0.093 0.000 2.740 76 R HA 0.427 5.266 4.340 0.831 0.000 0.282 76 R C 0.971 177.327 176.300 0.092 0.000 0.969 76 R CA -0.625 55.478 56.100 0.004 0.000 0.918 76 R CB 2.135 32.455 30.300 0.033 0.000 1.175 76 R HN 0.750 nan 8.270 nan 0.000 0.464 77 T N -1.990 112.642 114.554 0.130 0.000 2.867 77 T HA -0.112 4.737 4.350 0.831 0.000 0.268 77 T C 1.259 175.789 174.700 -0.283 0.000 1.057 77 T CA 1.061 63.207 62.100 0.077 0.000 1.136 77 T CB -0.031 68.951 68.868 0.189 0.000 0.874 77 T HN 0.569 nan 8.240 nan 0.000 0.466 78 E N 1.310 121.288 120.200 -0.371 0.000 2.031 78 E HA -0.013 4.836 4.350 0.831 0.000 0.193 78 E C 2.607 178.533 176.600 -1.123 0.000 0.994 78 E CA 1.028 56.825 56.400 -1.007 0.000 0.800 78 E CB -0.680 28.387 29.700 -1.055 0.000 0.752 78 E HN 0.646 nan 8.360 nan 0.000 0.447 79 G N 0.734 109.337 108.800 -0.328 0.000 2.440 79 G HA2 -0.353 4.106 3.960 0.831 0.000 0.218 79 G HA3 -0.353 4.106 3.960 0.831 0.000 0.218 79 G C 1.541 176.533 174.900 0.153 0.000 1.154 79 G CA 1.025 46.222 45.100 0.162 0.000 0.767 79 G HN 0.135 nan 8.290 nan 0.000 0.552 80 Q N 1.277 121.143 119.800 0.110 0.000 2.061 80 Q HA -0.134 4.705 4.340 0.831 0.000 0.204 80 Q C 2.873 178.989 176.000 0.194 0.000 0.984 80 Q CA 2.386 58.330 55.803 0.235 0.000 0.846 80 Q CB -0.367 28.599 28.738 0.380 0.000 0.902 80 Q HN 0.559 nan 8.270 nan 0.000 0.421 81 S N -1.322 114.268 115.700 -0.183 0.000 2.383 81 S HA -0.124 4.845 4.470 0.831 0.000 0.227 81 S C 1.647 176.303 174.600 0.094 0.000 1.026 81 S CA 0.860 58.894 58.200 -0.277 0.000 0.981 81 S CB -0.768 61.875 63.200 -0.928 0.000 0.818 81 S HN 0.513 nan 8.310 nan 0.000 0.472 82 W N 2.309 123.587 121.300 -0.038 0.000 2.358 82 W HA 0.236 5.397 4.660 0.835 0.000 0.303 82 W C 2.779 179.425 176.519 0.212 0.000 1.208 82 W CA 0.284 57.633 57.345 0.006 0.000 1.274 82 W CB -1.640 27.785 29.460 -0.059 0.000 1.138 82 W HN 0.498 nan 8.180 nan 0.000 0.515 83 G N 0.274 109.358 108.800 0.473 0.000 2.418 83 G HA2 -0.263 4.196 3.960 0.831 0.000 0.217 83 G HA3 -0.263 4.196 3.960 0.831 0.000 0.217 83 G C 1.625 176.836 174.900 0.519 0.000 1.158 83 G CA 1.160 46.589 45.100 0.549 0.000 0.771 83 G HN 0.123 nan 8.290 nan 0.000 0.545 84 M N 0.396 120.208 119.600 0.353 0.000 2.159 84 M HA -0.054 4.925 4.480 0.831 0.000 0.263 84 M C 2.782 179.292 176.300 0.349 0.000 1.063 84 M CA 1.618 57.017 55.300 0.165 0.000 1.110 84 M CB -0.408 32.099 32.600 -0.155 0.000 1.374 84 M HN 0.140 nan 8.290 nan 0.000 0.411 85 T N 0.667 115.459 114.554 0.396 0.000 2.746 85 T HA -0.104 4.745 4.350 0.831 0.000 0.267 85 T C 1.896 176.787 174.700 0.318 0.000 1.039 85 T CA 1.532 63.876 62.100 0.406 0.000 1.142 85 T CB -0.349 68.900 68.868 0.635 0.000 0.866 85 T HN 0.498 nan 8.240 nan 0.000 0.444 86 A N 1.534 124.593 122.820 0.397 0.000 1.877 86 A HA 0.116 4.935 4.320 0.831 0.000 0.216 86 A C 2.661 180.398 177.584 0.254 0.000 1.186 86 A CA 1.929 54.190 52.037 0.373 0.000 0.620 86 A CB -1.185 18.129 19.000 0.524 0.000 0.822 86 A HN 0.507 nan 8.150 nan 0.000 0.443 87 A N -0.840 122.170 122.820 0.317 0.000 1.877 87 A HA -0.053 4.766 4.320 0.831 0.000 0.216 87 A C 2.343 180.005 177.584 0.130 0.000 1.186 87 A CA 1.865 54.000 52.037 0.164 0.000 0.620 87 A CB -1.121 18.079 19.000 0.333 0.000 0.822 87 A HN 0.781 nan 8.150 nan 0.000 0.443 88 V N -0.112 119.925 119.914 0.204 0.000 2.515 88 V HA -0.209 4.410 4.120 0.831 0.000 0.250 88 V C 2.378 178.300 176.094 -0.287 0.000 1.058 88 V CA 2.139 64.340 62.300 -0.164 0.000 1.064 88 V CB -0.495 31.032 31.823 -0.492 0.000 0.675 88 V HN 0.523 nan 8.190 nan 0.000 0.461 89 M N -0.680 118.814 119.600 -0.176 0.000 2.213 89 M HA -0.035 4.944 4.480 0.831 0.000 0.263 89 M C 1.799 178.010 176.300 -0.149 0.000 1.062 89 M CA 1.680 56.881 55.300 -0.165 0.000 1.105 89 M CB -0.902 31.626 32.600 -0.120 0.000 1.385 89 M HN 0.295 nan 8.290 nan 0.000 0.417 90 L N -0.700 120.408 121.223 -0.192 0.000 2.667 90 L HA 0.124 4.963 4.340 0.831 0.000 0.232 90 L C 0.153 176.885 176.870 -0.231 0.000 1.138 90 L CA -0.234 54.453 54.840 -0.255 0.000 0.921 90 L CB -0.329 41.460 42.059 -0.450 0.000 1.180 90 L HN 0.321 nan 8.230 nan 0.000 0.487 91 N N 1.371 120.001 118.700 -0.116 0.000 2.758 91 N HA -0.142 5.097 4.740 0.831 0.000 0.248 91 N C -0.547 174.955 175.510 -0.013 0.000 1.076 91 N CA 0.617 53.706 53.050 0.065 0.000 0.696 91 N CB -0.460 38.029 38.487 0.003 0.000 0.979 91 N HN 0.083 nan 8.380 nan 0.000 0.550 92 K N 0.986 121.351 120.400 -0.058 0.000 2.360 92 K HA 0.169 4.988 4.320 0.831 0.000 0.235 92 K C 1.060 177.589 176.600 -0.117 0.000 1.077 92 K CA -0.295 55.875 56.287 -0.194 0.000 1.035 92 K CB 0.963 33.187 32.500 -0.460 0.000 1.623 92 K HN 0.476 nan 8.250 nan 0.000 0.462 93 Q N 1.562 121.125 119.800 -0.395 0.000 2.083 93 Q HA -0.107 4.732 4.340 0.831 0.000 0.198 93 Q C 0.984 176.873 176.000 -0.184 0.000 0.969 93 Q CA 1.276 56.617 55.803 -0.770 0.000 0.838 93 Q CB 0.459 28.429 28.738 -1.279 0.000 0.900 93 Q HN 0.357 nan 8.270 nan 0.000 0.436 94 E N 0.663 120.810 120.200 -0.087 0.000 2.051 94 E HA -0.212 4.637 4.350 0.831 0.000 0.192 94 E C 1.865 178.585 176.600 0.200 0.000 0.991 94 E CA 1.363 57.804 56.400 0.069 0.000 0.799 94 E CB 0.025 29.742 29.700 0.029 0.000 0.748 94 E HN 0.401 nan 8.360 nan 0.000 0.449 95 E N 0.401 120.696 120.200 0.158 0.000 2.058 95 E HA -0.174 4.675 4.350 0.831 0.000 0.194 95 E C 1.770 178.621 176.600 0.417 0.000 0.997 95 E CA 0.922 57.457 56.400 0.226 0.000 0.801 95 E CB -0.458 29.222 29.700 -0.034 0.000 0.746 95 E HN 0.184 nan 8.360 nan 0.000 0.450 96 F N 1.806 121.910 119.950 0.256 0.000 2.065 96 F HA -0.258 4.768 4.527 0.831 0.000 0.298 96 F C 1.655 177.727 175.800 0.454 0.000 1.112 96 F CA 1.891 60.110 58.000 0.364 0.000 1.212 96 F CB -0.196 39.039 39.000 0.391 0.000 0.975 96 F HN -0.051 nan 8.300 nan 0.000 0.476 97 D N -0.026 120.837 120.400 0.771 0.000 2.144 97 D HA -0.168 4.970 4.640 0.831 0.000 0.199 97 D C 1.943 178.648 176.300 0.675 0.000 0.984 97 D CA 1.185 55.687 54.000 0.837 0.000 0.834 97 D CB -0.575 40.668 40.800 0.738 0.000 0.955 97 D HN 0.302 nan 8.370 nan 0.000 0.465 98 N N 0.324 119.360 118.700 0.560 0.000 2.166 98 N HA -0.066 5.173 4.740 0.831 0.000 0.186 98 N C 2.046 177.901 175.510 0.575 0.000 1.019 98 N CA 0.404 53.798 53.050 0.574 0.000 0.856 98 N CB -0.309 38.477 38.487 0.498 0.000 0.993 98 N HN 0.259 nan 8.380 nan 0.000 0.426 99 L N -0.688 120.858 121.223 0.538 0.000 2.056 99 L HA -0.082 4.756 4.340 0.831 0.000 0.207 99 L C 2.407 179.535 176.870 0.429 0.000 1.078 99 L CA 0.832 55.962 54.840 0.483 0.000 0.749 99 L CB -0.323 41.997 42.059 0.436 0.000 0.901 99 L HN 0.361 nan 8.230 nan 0.000 0.433 100 W N 1.434 122.782 121.300 0.080 0.000 2.388 100 W HA -0.199 4.959 4.660 0.831 0.000 0.294 100 W C 2.624 179.131 176.519 -0.019 0.000 1.212 100 W CA 0.931 58.205 57.345 -0.119 0.000 1.271 100 W CB -0.019 29.226 29.460 -0.359 0.000 1.126 100 W HN 0.118 nan 8.180 nan 0.000 0.535 101 R N 0.021 120.563 120.500 0.070 0.000 2.091 101 R HA -0.258 4.580 4.340 0.831 0.000 0.238 101 R C 2.363 178.649 176.300 -0.022 0.000 1.136 101 R CA 2.101 58.263 56.100 0.104 0.000 0.959 101 R CB -1.132 29.407 30.300 0.398 0.000 0.856 101 R HN 0.215 nan 8.270 nan 0.000 0.437 102 F N 0.807 120.800 119.950 0.071 0.000 2.102 102 F HA -0.137 4.889 4.527 0.832 0.000 0.298 102 F C 2.137 177.948 175.800 0.020 0.000 1.105 102 F CA 1.553 59.652 58.000 0.166 0.000 1.239 102 F CB -0.456 38.746 39.000 0.336 0.000 0.991 102 F HN 0.099 nan 8.300 nan 0.000 0.474 103 A N 0.081 123.028 122.820 0.211 0.000 1.858 103 A HA -0.245 4.573 4.320 0.831 0.000 0.216 103 A C 2.297 179.758 177.584 -0.205 0.000 1.190 103 A CA 1.973 54.070 52.037 0.100 0.000 0.617 103 A CB -0.896 18.108 19.000 0.007 0.000 0.827 103 A HN 0.445 nan 8.150 nan 0.000 0.443 104 K N -0.615 119.394 120.400 -0.653 0.000 2.097 104 K HA -0.036 4.783 4.320 0.831 0.000 0.205 104 K C 2.110 178.421 176.600 -0.482 0.000 1.050 104 K CA 1.098 56.993 56.287 -0.653 0.000 0.938 104 K CB -0.256 31.638 32.500 -1.011 0.000 0.718 104 K HN 0.401 nan 8.250 nan 0.000 0.442 105 A N -0.264 122.205 122.820 -0.586 0.000 1.898 105 A HA -0.085 4.734 4.320 0.831 0.000 0.214 105 A C 1.376 178.511 177.584 -0.749 0.000 1.183 105 A CA 1.115 52.688 52.037 -0.773 0.000 0.622 105 A CB -0.325 17.917 19.000 -1.265 0.000 0.824 105 A HN 0.375 nan 8.150 nan 0.000 0.444 106 Y N -1.340 118.700 120.300 -0.432 0.000 2.581 106 Y HA 0.185 5.234 4.550 0.831 0.000 0.271 106 Y C 2.398 178.092 175.900 -0.344 0.000 1.100 106 Y CA 0.416 58.223 58.100 -0.488 0.000 1.281 106 Y CB -0.203 37.697 38.460 -0.933 0.000 1.237 106 Y HN 0.285 nan 8.280 nan 0.000 0.514 107 Q N 0.662 120.395 119.800 -0.112 0.000 2.163 107 Q HA -0.016 4.823 4.340 0.831 0.000 0.198 107 Q C 0.796 176.650 176.000 -0.243 0.000 0.954 107 Q CA 0.387 56.188 55.803 -0.003 0.000 0.851 107 Q CB 0.301 29.229 28.738 0.316 0.000 0.928 107 Q HN 0.114 nan 8.270 nan 0.000 0.459 108 K N 2.231 122.295 120.400 -0.560 0.000 2.447 108 K HA 0.001 4.820 4.320 0.831 0.000 0.281 108 K C -0.612 175.730 176.600 -0.430 0.000 1.031 108 K CA -0.142 55.578 56.287 -0.946 0.000 1.019 108 K CB 0.434 32.420 32.500 -0.856 0.000 0.918 108 K HN 0.030 nan 8.250 nan 0.000 0.476 109 N N 5.431 123.932 118.700 -0.331 0.000 2.530 109 N HA 0.182 5.420 4.740 0.831 0.000 0.273 109 N C -2.433 173.026 175.510 -0.086 0.000 1.173 109 N CA -1.312 51.665 53.050 -0.121 0.000 0.967 109 N CB 0.782 39.219 38.487 -0.084 0.000 1.109 109 N HN 0.478 nan 8.380 nan 0.000 0.453 110 P HA 0.029 nan 4.420 nan 0.000 0.267 110 P C 0.071 177.385 177.300 0.024 0.000 1.200 110 P CA -0.064 63.031 63.100 -0.008 0.000 0.772 110 P CB 0.934 32.636 31.700 0.002 0.000 0.855 111 D N 1.218 121.621 120.400 0.004 0.000 2.310 111 D HA -0.107 5.032 4.640 0.831 0.000 0.212 111 D C 0.986 177.307 176.300 0.035 0.000 0.965 111 D CA 1.231 55.242 54.000 0.018 0.000 0.879 111 D CB -0.249 40.558 40.800 0.011 0.000 0.921 111 D HN 0.510 nan 8.370 nan 0.000 0.510 112 N N 0.014 118.734 118.700 0.034 0.000 2.321 112 N HA -0.110 5.128 4.740 0.831 0.000 0.242 112 N C 0.246 175.785 175.510 0.048 0.000 1.141 112 N CA -0.336 52.733 53.050 0.032 0.000 0.864 112 N CB -0.685 37.805 38.487 0.005 0.000 1.100 112 N HN 0.096 nan 8.380 nan 0.000 0.510 113 H N 2.570 121.633 119.070 -0.011 0.000 3.038 113 H HA 0.017 5.072 4.556 0.832 0.000 0.338 113 H C -1.262 174.070 175.328 0.007 0.000 1.041 113 H CA -0.323 55.722 56.048 -0.004 0.000 1.394 113 H CB 1.305 31.068 29.762 0.001 0.000 1.357 113 H HN 0.073 nan 8.280 nan 0.000 0.600 114 P HA -0.121 nan 4.420 nan 0.000 0.220 114 P C 0.289 177.703 177.300 0.190 0.000 1.148 114 P CA 0.933 64.066 63.100 0.056 0.000 0.803 114 P CB 0.273 31.951 31.700 -0.036 0.000 0.782 115 D N -0.249 120.413 120.400 0.437 0.000 2.380 115 D HA 0.300 5.439 4.640 0.831 0.000 0.230 115 D C 1.200 177.590 176.300 0.149 0.000 1.154 115 D CA -0.363 53.793 54.000 0.259 0.000 0.859 115 D CB 1.140 42.084 40.800 0.241 0.000 1.045 115 D HN -0.115 nan 8.370 nan 0.000 0.495 116 A N 4.918 127.794 122.820 0.093 0.000 1.978 116 A HA -0.193 4.626 4.320 0.831 0.000 0.220 116 A C 1.904 179.487 177.584 -0.002 0.000 1.170 116 A CA 1.242 53.306 52.037 0.045 0.000 0.636 116 A CB -0.227 18.791 19.000 0.030 0.000 0.810 116 A HN 0.626 nan 8.150 nan 0.000 0.448 117 K N -0.536 119.851 120.400 -0.022 0.000 2.362 117 K HA -0.054 4.764 4.320 0.831 0.000 0.200 117 K C 1.442 177.970 176.600 -0.119 0.000 1.046 117 K CA 1.184 57.400 56.287 -0.119 0.000 0.952 117 K CB -0.041 32.290 32.500 -0.280 0.000 0.753 117 K HN 0.422 nan 8.250 nan 0.000 0.466 118 K N 0.628 120.960 120.400 -0.112 0.000 2.367 118 K HA 0.049 4.868 4.320 0.831 0.000 0.194 118 K C 0.009 176.525 176.600 -0.141 0.000 1.027 118 K CA -0.003 56.169 56.287 -0.192 0.000 1.075 118 K CB 0.483 32.678 32.500 -0.508 0.000 0.845 118 K HN 0.141 nan 8.250 nan 0.000 0.529 119 Q N 0.331 120.096 119.800 -0.058 0.000 2.255 119 Q HA 0.053 4.892 4.340 0.831 0.000 0.280 119 Q C 0.809 176.808 176.000 -0.001 0.000 1.068 119 Q CA 0.682 56.485 55.803 -0.000 0.000 0.911 119 Q CB 0.577 29.333 28.738 0.029 0.000 1.157 119 Q HN 0.464 nan 8.270 nan 0.000 0.380 120 G N 1.387 110.177 108.800 -0.017 0.000 2.189 120 G HA2 -0.312 4.146 3.960 0.831 0.000 0.267 120 G HA3 -0.312 4.146 3.960 0.831 0.000 0.267 120 G C 0.340 175.265 174.900 0.042 0.000 0.975 120 G CA 0.353 45.450 45.100 -0.005 0.000 0.644 120 G HN 0.716 nan 8.290 nan 0.000 0.537 121 V N -2.558 117.375 119.914 0.032 0.000 3.214 121 V HA 0.770 5.388 4.120 0.831 0.000 0.306 121 V C 0.279 176.408 176.094 0.057 0.000 1.078 121 V CA -1.496 60.896 62.300 0.153 0.000 1.077 121 V CB 1.039 32.926 31.823 0.106 0.000 1.121 121 V HN 0.295 nan 8.190 nan 0.000 0.468 122 Y N 1.646 122.025 120.300 0.132 0.000 2.342 122 Y HA 0.695 5.744 4.550 0.831 0.000 0.338 122 Y C 0.836 176.835 175.900 0.164 0.000 0.965 122 Y CA -0.153 58.047 58.100 0.168 0.000 1.159 122 Y CB 1.014 39.666 38.460 0.320 0.000 1.157 122 Y HN 1.044 nan 8.280 nan 0.000 0.486 123 A N 5.147 128.052 122.820 0.142 0.000 2.545 123 A HA -0.060 4.759 4.320 0.831 0.000 0.253 123 A C 1.144 178.839 177.584 0.185 0.000 1.074 123 A CA -0.244 51.868 52.037 0.126 0.000 0.760 123 A CB -0.127 18.881 19.000 0.013 0.000 1.005 123 A HN 1.101 nan 8.150 nan 0.000 0.506 124 W N 2.916 124.242 121.300 0.044 0.000 2.467 124 W HA 0.114 5.272 4.660 0.831 0.000 0.275 124 W C 0.118 176.633 176.519 -0.006 0.000 1.239 124 W CA 0.733 58.095 57.345 0.029 0.000 1.266 124 W CB -0.041 29.424 29.460 0.008 0.000 1.112 124 W HN 0.566 nan 8.180 nan 0.000 0.576 125 K N 1.374 121.342 120.400 -0.719 0.000 2.545 125 K HA 0.384 5.203 4.320 0.831 0.000 0.252 125 K C -1.668 174.604 176.600 -0.547 0.000 0.948 125 K CA -0.579 55.179 56.287 -0.881 0.000 0.827 125 K CB 1.401 32.986 32.500 -1.525 0.000 1.128 125 K HN -0.165 nan 8.250 nan 0.000 0.429 126 L N 2.849 123.805 121.223 -0.444 0.000 2.322 126 L HA 0.602 5.441 4.340 0.831 0.000 0.269 126 L C -0.413 176.121 176.870 -0.559 0.000 1.012 126 L CA -0.475 54.080 54.840 -0.474 0.000 0.815 126 L CB 1.789 43.660 42.059 -0.314 0.000 1.295 126 L HN 0.593 nan 8.230 nan 0.000 0.438 127 K N 0.765 120.717 120.400 -0.746 0.000 2.509 127 K HA 0.636 5.455 4.320 0.831 0.000 0.266 127 K C -1.591 174.747 176.600 -0.437 0.000 0.987 127 K CA -0.870 55.071 56.287 -0.576 0.000 0.868 127 K CB 2.327 34.531 32.500 -0.494 0.000 1.421 127 K HN 0.332 nan 8.250 nan 0.000 0.444 128 L N 2.831 123.926 121.223 -0.212 0.000 2.305 128 L HA 0.244 5.083 4.340 0.831 0.000 0.281 128 L C 0.466 177.432 176.870 0.160 0.000 1.085 128 L CA -0.843 53.981 54.840 -0.027 0.000 0.813 128 L CB 0.470 42.490 42.059 -0.065 0.000 1.157 128 L HN 0.725 nan 8.230 nan 0.000 0.436 129 N N 0.892 119.749 118.700 0.261 0.000 2.322 129 N HA -0.055 5.184 4.740 0.831 0.000 0.270 129 N C 0.750 176.290 175.510 0.051 0.000 1.286 129 N CA -0.123 53.016 53.050 0.148 0.000 0.948 129 N CB 0.183 38.651 38.487 -0.032 0.000 1.164 129 N HN 0.459 nan 8.380 nan 0.000 0.551 130 Q N -1.704 118.100 119.800 0.007 0.000 2.364 130 Q HA -0.027 4.812 4.340 0.831 0.000 0.209 130 Q C 0.230 176.226 176.000 -0.007 0.000 0.977 130 Q CA 1.450 57.249 55.803 -0.007 0.000 0.885 130 Q CB -1.057 27.670 28.738 -0.018 0.000 0.941 130 Q HN 0.693 nan 8.270 nan 0.000 0.464 131 N N 0.264 118.980 118.700 0.026 0.000 2.280 131 N HA 0.255 5.494 4.740 0.831 0.000 0.192 131 N C 1.131 176.530 175.510 -0.184 0.000 1.109 131 N CA 0.781 53.839 53.050 0.013 0.000 0.855 131 N CB 1.029 39.631 38.487 0.191 0.000 0.974 131 N HN 0.654 nan 8.380 nan 0.000 0.482 132 G N 0.351 109.057 108.800 -0.157 0.000 2.157 132 G HA2 -0.242 4.216 3.960 0.831 0.000 0.239 132 G HA3 -0.242 4.216 3.960 0.831 0.000 0.239 132 G C -0.294 174.450 174.900 -0.260 0.000 0.982 132 G CA -0.367 44.580 45.100 -0.255 0.000 0.650 132 G HN 0.216 nan 8.290 nan 0.000 0.527 133 F N -0.148 119.854 119.950 0.086 0.000 2.422 133 F HA 0.671 5.696 4.527 0.831 0.000 0.333 133 F C 0.827 176.672 175.800 0.074 0.000 1.095 133 F CA -0.937 57.138 58.000 0.125 0.000 1.038 133 F CB 1.856 40.891 39.000 0.059 0.000 1.156 133 F HN 0.024 nan 8.300 nan 0.000 0.483 134 V N 4.846 124.829 119.914 0.114 0.000 2.715 134 V HA 0.321 4.940 4.120 0.831 0.000 0.299 134 V C -1.082 175.010 176.094 -0.003 0.000 1.054 134 V CA -0.050 62.124 62.300 -0.210 0.000 1.077 134 V CB 0.667 32.000 31.823 -0.815 0.000 0.972 134 V HN 0.691 nan 8.190 nan 0.000 0.484 135 Y N 3.252 123.442 120.300 -0.184 0.000 2.609 135 Y HA 0.629 5.678 4.550 0.832 0.000 0.336 135 Y C -0.862 174.954 175.900 -0.140 0.000 1.129 135 Y CA -1.775 56.247 58.100 -0.130 0.000 1.040 135 Y CB 1.201 39.609 38.460 -0.085 0.000 1.310 135 Y HN 0.496 nan 8.280 nan 0.000 0.460 136 K N 2.075 122.409 120.400 -0.111 0.000 2.276 136 K HA 0.394 5.213 4.320 0.831 0.000 0.285 136 K C 0.115 176.622 176.600 -0.155 0.000 1.062 136 K CA -0.401 55.778 56.287 -0.181 0.000 0.918 136 K CB 1.985 34.449 32.500 -0.060 0.000 1.055 136 K HN 0.668 nan 8.250 nan 0.000 0.477 137 V N 1.107 120.823 119.914 -0.329 0.000 2.379 137 V HA -0.095 4.523 4.120 0.831 0.000 0.243 137 V C 0.500 176.522 176.094 -0.119 0.000 1.035 137 V CA 1.259 63.436 62.300 -0.206 0.000 1.035 137 V CB -0.111 31.511 31.823 -0.334 0.000 0.673 137 V HN 0.793 nan 8.190 nan 0.000 0.457 138 D N -0.940 119.348 120.400 -0.188 0.000 2.686 138 D HA 0.231 5.370 4.640 0.831 0.000 0.249 138 D C 0.475 176.776 176.300 0.002 0.000 1.260 138 D CA -0.295 53.674 54.000 -0.051 0.000 0.910 138 D CB 2.012 42.811 40.800 -0.002 0.000 1.323 138 D HN 0.212 nan 8.370 nan 0.000 0.561 139 E N 1.431 121.671 120.200 0.066 0.000 2.358 139 E HA 0.112 4.961 4.350 0.831 0.000 0.195 139 E C 1.125 177.802 176.600 0.128 0.000 1.010 139 E CA -0.026 56.417 56.400 0.072 0.000 0.856 139 E CB 0.331 30.066 29.700 0.058 0.000 0.795 139 E HN 0.472 nan 8.360 nan 0.000 0.504 140 G N 3.155 112.084 108.800 0.215 0.000 2.544 140 G HA2 0.134 4.593 3.960 0.831 0.000 0.242 140 G HA3 0.134 4.593 3.960 0.831 0.000 0.242 140 G C -2.331 172.728 174.900 0.266 0.000 1.247 140 G CA -0.896 44.343 45.100 0.231 0.000 0.840 140 G HN -0.041 nan 8.290 nan 0.000 0.578 141 P HA 0.419 nan 4.420 nan 0.000 0.281 141 P C -0.854 176.437 177.300 -0.014 0.000 1.264 141 P CA -0.458 62.717 63.100 0.126 0.000 0.824 141 P CB 1.770 33.523 31.700 0.087 0.000 1.092 142 A N 2.414 125.236 122.820 0.003 0.000 2.508 142 A HA 0.484 5.303 4.320 0.831 0.000 0.336 142 A C -1.844 175.604 177.584 -0.227 0.000 1.360 142 A CA -1.613 50.336 52.037 -0.147 0.000 0.841 142 A CB 0.136 19.075 19.000 -0.102 0.000 1.136 142 A HN 0.254 nan 8.150 nan 0.000 0.489 143 P HA -0.180 nan 4.420 nan 0.000 0.221 143 P C 0.966 178.089 177.300 -0.295 0.000 1.145 143 P CA 1.494 64.470 63.100 -0.206 0.000 0.795 143 P CB 0.220 31.876 31.700 -0.073 0.000 0.775 144 D N -1.077 118.909 120.400 -0.689 0.000 2.264 144 D HA -0.093 5.046 4.640 0.831 0.000 0.208 144 D C 2.037 178.330 176.300 -0.012 0.000 0.966 144 D CA 1.335 55.188 54.000 -0.244 0.000 0.864 144 D CB -1.337 39.365 40.800 -0.163 0.000 0.933 144 D HN 0.119 nan 8.370 nan 0.000 0.499 145 G N 0.898 109.581 108.800 -0.195 0.000 2.433 145 G HA2 -0.307 4.152 3.960 0.831 0.000 0.216 145 G HA3 -0.307 4.152 3.960 0.831 0.000 0.216 145 G C 1.597 176.319 174.900 -0.296 0.000 1.186 145 G CA 0.826 45.715 45.100 -0.351 0.000 0.779 145 G HN 0.265 nan 8.290 nan 0.000 0.543 146 E N 0.688 120.885 120.200 -0.005 0.000 2.085 146 E HA -0.076 4.773 4.350 0.831 0.000 0.194 146 E C 2.446 179.148 176.600 0.171 0.000 0.994 146 E CA 1.287 57.787 56.400 0.166 0.000 0.801 146 E CB -0.163 29.649 29.700 0.186 0.000 0.743 146 E HN 0.624 nan 8.360 nan 0.000 0.453 147 E N -0.557 119.763 120.200 0.200 0.000 2.058 147 E HA -0.212 4.637 4.350 0.831 0.000 0.194 147 E C 1.880 178.684 176.600 0.339 0.000 0.997 147 E CA 1.179 57.777 56.400 0.330 0.000 0.801 147 E CB -0.239 29.678 29.700 0.361 0.000 0.746 147 E HN 0.377 nan 8.360 nan 0.000 0.450 148 Y N -0.520 119.920 120.300 0.232 0.000 2.242 148 Y HA -0.171 4.877 4.550 0.830 0.000 0.291 148 Y C 2.016 178.014 175.900 0.163 0.000 1.137 148 Y CA 0.859 59.113 58.100 0.257 0.000 1.181 148 Y CB -0.107 38.510 38.460 0.262 0.000 0.989 148 Y HN 0.013 nan 8.280 nan 0.000 0.527 149 F N -0.542 119.507 119.950 0.165 0.000 2.095 149 F HA -0.257 4.770 4.527 0.833 0.000 0.298 149 F C 2.484 178.191 175.800 -0.155 0.000 1.104 149 F CA 1.062 59.020 58.000 -0.069 0.000 1.232 149 F CB -1.313 37.558 39.000 -0.215 0.000 0.987 149 F HN 0.005 nan 8.300 nan 0.000 0.475 150 A N -0.390 122.472 122.820 0.070 0.000 1.877 150 A HA -0.235 4.583 4.320 0.831 0.000 0.216 150 A C 2.167 179.718 177.584 -0.055 0.000 1.186 150 A CA 1.574 53.526 52.037 -0.142 0.000 0.620 150 A CB -1.472 17.297 19.000 -0.386 0.000 0.822 150 A HN 0.359 nan 8.150 nan 0.000 0.443 151 F N 1.046 120.978 119.950 -0.029 0.000 2.069 151 F HA -0.124 4.903 4.527 0.833 0.000 0.298 151 F C 2.548 178.252 175.800 -0.160 0.000 1.113 151 F CA 1.467 59.378 58.000 -0.149 0.000 1.214 151 F CB -0.596 37.930 39.000 -0.790 0.000 0.978 151 F HN 0.246 nan 8.300 nan 0.000 0.474 152 A N 0.487 123.269 122.820 -0.064 0.000 1.902 152 A HA -0.138 4.681 4.320 0.831 0.000 0.217 152 A C 2.289 179.811 177.584 -0.104 0.000 1.181 152 A CA 1.882 53.888 52.037 -0.052 0.000 0.623 152 A CB -1.219 17.932 19.000 0.252 0.000 0.818 152 A HN 0.514 nan 8.150 nan 0.000 0.443 153 L N -0.765 120.394 121.223 -0.108 0.000 2.056 153 L HA -0.142 4.696 4.340 0.831 0.000 0.207 153 L C 2.537 179.275 176.870 -0.221 0.000 1.078 153 L CA 0.897 55.636 54.840 -0.170 0.000 0.749 153 L CB -0.478 41.400 42.059 -0.301 0.000 0.901 153 L HN 0.358 nan 8.230 nan 0.000 0.433 154 L N -0.378 120.721 121.223 -0.208 0.000 2.046 154 L HA -0.229 4.610 4.340 0.831 0.000 0.208 154 L C 2.406 179.165 176.870 -0.186 0.000 1.077 154 L CA 1.164 55.926 54.840 -0.130 0.000 0.747 154 L CB -0.606 41.407 42.059 -0.075 0.000 0.896 154 L HN 0.395 nan 8.230 nan 0.000 0.432 155 N N -0.004 118.470 118.700 -0.377 0.000 2.188 155 N HA -0.139 5.100 4.740 0.831 0.000 0.184 155 N C 1.884 176.913 175.510 -0.801 0.000 1.018 155 N CA 1.434 54.169 53.050 -0.524 0.000 0.858 155 N CB -0.061 37.993 38.487 -0.721 0.000 0.989 155 N HN 0.316 nan 8.380 nan 0.000 0.426 156 A N 0.700 122.928 122.820 -0.987 0.000 1.902 156 A HA -0.149 4.670 4.320 0.831 0.000 0.217 156 A C 2.463 179.486 177.584 -0.936 0.000 1.181 156 A CA 1.932 53.038 52.037 -1.553 0.000 0.623 156 A CB -0.876 16.916 19.000 -2.013 0.000 0.818 156 A HN 0.334 nan 8.150 nan 0.000 0.443 157 S N -0.164 115.288 115.700 -0.414 0.000 2.365 157 S HA -0.128 4.840 4.470 0.831 0.000 0.225 157 S C 2.175 176.685 174.600 -0.151 0.000 1.039 157 S CA 1.919 60.102 58.200 -0.028 0.000 1.033 157 S CB -0.537 62.751 63.200 0.147 0.000 0.887 157 S HN 0.895 nan 8.310 nan 0.000 0.447 158 A N 1.484 124.157 122.820 -0.246 0.000 1.930 158 A HA -0.006 4.813 4.320 0.831 0.000 0.217 158 A C 2.327 179.737 177.584 -0.290 0.000 1.175 158 A CA 1.259 53.167 52.037 -0.214 0.000 0.627 158 A CB -0.490 18.435 19.000 -0.124 0.000 0.815 158 A HN 0.643 nan 8.150 nan 0.000 0.443 159 R N -2.163 117.995 120.500 -0.570 0.000 2.100 159 R HA -0.045 4.794 4.340 0.831 0.000 0.220 159 R C 1.260 177.365 176.300 -0.325 0.000 1.091 159 R CA 1.117 56.814 56.100 -0.670 0.000 0.986 159 R CB -0.064 29.447 30.300 -1.315 0.000 0.888 159 R HN 0.733 nan 8.270 nan 0.000 0.444 160 W N -0.021 121.152 121.300 -0.212 0.000 2.868 160 W HA 0.390 5.548 4.660 0.831 0.000 0.320 160 W C 0.698 177.225 176.519 0.014 0.000 1.076 160 W CA 0.337 57.619 57.345 -0.105 0.000 1.576 160 W CB -0.214 29.171 29.460 -0.125 0.000 1.030 160 W HN 0.181 nan 8.180 nan 0.000 0.558 161 G N 2.104 111.020 108.800 0.194 0.000 2.796 161 G HA2 -0.277 4.182 3.960 0.831 0.000 0.226 161 G HA3 -0.277 4.182 3.960 0.831 0.000 0.226 161 G C 0.194 175.260 174.900 0.276 0.000 1.381 161 G CA 0.027 45.227 45.100 0.167 0.000 0.867 161 G HN 0.135 nan 8.290 nan 0.000 0.552 162 N N 0.086 118.883 118.700 0.161 0.000 2.291 162 N HA 0.184 5.423 4.740 0.831 0.000 0.244 162 N C 1.519 177.061 175.510 0.055 0.000 1.216 162 N CA 0.702 53.828 53.050 0.127 0.000 0.879 162 N CB 0.900 39.468 38.487 0.135 0.000 1.167 162 N HN 0.873 nan 8.380 nan 0.000 0.515 163 S N -1.719 114.012 115.700 0.051 0.000 2.539 163 S HA 0.273 5.242 4.470 0.831 0.000 0.221 163 S C 1.133 175.730 174.600 -0.003 0.000 0.987 163 S CA -0.368 57.844 58.200 0.021 0.000 0.929 163 S CB 0.712 63.925 63.200 0.023 0.000 0.832 163 S HN 0.172 nan 8.310 nan 0.000 0.492 164 G N 1.598 110.391 108.800 -0.013 0.000 2.714 164 G HA2 0.307 4.766 3.960 0.831 0.000 0.197 164 G HA3 0.307 4.766 3.960 0.831 0.000 0.197 164 G C 0.515 175.338 174.900 -0.127 0.000 1.449 164 G CA -0.020 45.052 45.100 -0.046 0.000 1.065 164 G HN 0.325 nan 8.290 nan 0.000 0.575 165 E N -1.218 118.862 120.200 -0.201 0.000 2.097 165 E HA -0.101 4.748 4.350 0.831 0.000 0.196 165 E C -0.203 176.041 176.600 -0.592 0.000 1.000 165 E CA 0.743 56.882 56.400 -0.435 0.000 0.804 165 E CB -0.087 29.256 29.700 -0.595 0.000 0.740 165 E HN 0.178 nan 8.360 nan 0.000 0.454 166 F N 0.393 120.239 119.950 -0.173 0.000 2.469 166 F HA 0.283 5.309 4.527 0.832 0.000 0.332 166 F C 0.299 175.882 175.800 -0.361 0.000 1.103 166 F CA -1.221 56.632 58.000 -0.245 0.000 0.979 166 F CB 1.238 40.060 39.000 -0.295 0.000 1.137 166 F HN -0.190 nan 8.300 nan 0.000 0.463 167 N N 2.851 121.596 118.700 0.074 0.000 2.807 167 N HA 0.012 5.251 4.740 0.831 0.000 0.259 167 N C 0.633 176.238 175.510 0.159 0.000 1.149 167 N CA 0.159 53.262 53.050 0.088 0.000 1.042 167 N CB -0.116 38.448 38.487 0.127 0.000 1.367 167 N HN 0.488 nan 8.380 nan 0.000 0.516 168 Y N 1.554 122.005 120.300 0.251 0.000 2.151 168 Y HA -0.262 4.788 4.550 0.832 0.000 0.284 168 Y C 1.905 177.837 175.900 0.054 0.000 1.166 168 Y CA 1.398 59.570 58.100 0.121 0.000 1.163 168 Y CB -0.749 37.740 38.460 0.050 0.000 0.974 168 Y HN 0.548 nan 8.280 nan 0.000 0.511 169 Y N 1.003 121.399 120.300 0.160 0.000 2.145 169 Y HA -0.271 4.778 4.550 0.831 0.000 0.286 169 Y C 2.558 178.499 175.900 0.069 0.000 1.145 169 Y CA 1.903 60.049 58.100 0.077 0.000 1.148 169 Y CB -0.683 37.820 38.460 0.071 0.000 0.981 169 Y HN 0.184 nan 8.280 nan 0.000 0.507 170 N N -0.089 118.697 118.700 0.143 0.000 2.166 170 N HA -0.201 5.038 4.740 0.831 0.000 0.186 170 N C 1.147 176.667 175.510 0.017 0.000 1.019 170 N CA 1.639 54.727 53.050 0.064 0.000 0.856 170 N CB -0.208 38.362 38.487 0.138 0.000 0.993 170 N HN 0.402 nan 8.380 nan 0.000 0.426 171 D N 0.692 121.141 120.400 0.083 0.000 2.144 171 D HA -0.087 5.052 4.640 0.831 0.000 0.199 171 D C 1.828 178.092 176.300 -0.060 0.000 0.984 171 D CA 1.001 55.067 54.000 0.110 0.000 0.834 171 D CB -0.361 40.588 40.800 0.248 0.000 0.955 171 D HN 0.385 nan 8.370 nan 0.000 0.465 172 A N 0.950 123.663 122.820 -0.178 0.000 1.873 172 A HA -0.130 4.689 4.320 0.831 0.000 0.215 172 A C 2.147 179.545 177.584 -0.311 0.000 1.186 172 A CA 0.807 52.673 52.037 -0.285 0.000 0.616 172 A CB -0.436 18.365 19.000 -0.333 0.000 0.823 172 A HN 0.110 nan 8.150 nan 0.000 0.442 173 I N 0.268 120.625 120.570 -0.356 0.000 2.315 173 I HA -0.161 4.508 4.170 0.831 0.000 0.248 173 I C 2.455 178.500 176.117 -0.119 0.000 1.117 173 I CA 1.862 62.998 61.300 -0.274 0.000 1.404 173 I CB -1.997 35.828 38.000 -0.292 0.000 1.071 173 I HN 0.235 nan 8.210 nan 0.000 0.419 174 T N 0.932 115.448 114.554 -0.064 0.000 2.746 174 T HA -0.231 4.617 4.350 0.831 0.000 0.267 174 T C 1.897 176.614 174.700 0.029 0.000 1.039 174 T CA 1.637 63.745 62.100 0.013 0.000 1.142 174 T CB -0.242 68.667 68.868 0.068 0.000 0.866 174 T HN 0.164 nan 8.240 nan 0.000 0.444 175 M N 0.835 120.433 119.600 -0.003 0.000 2.117 175 M HA 0.054 5.033 4.480 0.831 0.000 0.262 175 M C 1.877 178.166 176.300 -0.019 0.000 1.065 175 M CA 1.456 56.759 55.300 0.006 0.000 1.114 175 M CB -0.636 31.922 32.600 -0.070 0.000 1.361 175 M HN 0.178 nan 8.290 nan 0.000 0.408 176 L N -0.459 120.693 121.223 -0.118 0.000 2.046 176 L HA -0.259 4.580 4.340 0.831 0.000 0.208 176 L C 2.476 179.445 176.870 0.165 0.000 1.077 176 L CA 1.706 56.514 54.840 -0.055 0.000 0.747 176 L CB -1.089 40.846 42.059 -0.206 0.000 0.896 176 L HN 0.542 nan 8.230 nan 0.000 0.432 177 N N -0.495 118.252 118.700 0.077 0.000 2.142 177 N HA -0.170 5.069 4.740 0.831 0.000 0.186 177 N C 1.649 177.196 175.510 0.061 0.000 1.023 177 N CA 1.851 54.934 53.050 0.055 0.000 0.852 177 N CB 0.148 38.648 38.487 0.022 0.000 0.998 177 N HN 0.250 nan 8.380 nan 0.000 0.424 178 T N 1.549 116.152 114.554 0.083 0.000 2.746 178 T HA -0.058 4.791 4.350 0.831 0.000 0.267 178 T C 2.021 176.791 174.700 0.116 0.000 1.039 178 T CA 0.968 63.127 62.100 0.099 0.000 1.142 178 T CB -0.086 68.868 68.868 0.143 0.000 0.866 178 T HN 0.226 nan 8.240 nan 0.000 0.444 179 I N 0.759 121.428 120.570 0.165 0.000 2.179 179 I HA -0.181 4.488 4.170 0.831 0.000 0.242 179 I C 2.607 178.840 176.117 0.194 0.000 1.088 179 I CA 1.359 62.792 61.300 0.222 0.000 1.357 179 I CB -0.316 37.893 38.000 0.348 0.000 1.051 179 I HN 0.174 nan 8.210 nan 0.000 0.409 180 K N 0.880 121.383 120.400 0.172 0.000 2.057 180 K HA -0.191 4.627 4.320 0.831 0.000 0.207 180 K C 1.791 178.366 176.600 -0.042 0.000 1.049 180 K CA 1.714 57.990 56.287 -0.018 0.000 0.931 180 K CB 0.019 32.352 32.500 -0.279 0.000 0.714 180 K HN 0.276 nan 8.250 nan 0.000 0.440 181 N N -0.044 118.643 118.700 -0.023 0.000 2.415 181 N HA -0.030 5.208 4.740 0.831 0.000 0.176 181 N C 0.990 176.490 175.510 -0.016 0.000 1.042 181 N CA 0.757 53.788 53.050 -0.032 0.000 0.902 181 N CB 0.411 38.881 38.487 -0.028 0.000 0.986 181 N HN 0.150 nan 8.380 nan 0.000 0.447 182 K N -0.109 120.295 120.400 0.006 0.000 2.435 182 K HA 0.333 5.151 4.320 0.831 0.000 0.199 182 K C 0.997 177.589 176.600 -0.014 0.000 1.153 182 K CA 0.181 56.460 56.287 -0.014 0.000 0.974 182 K CB 1.087 33.587 32.500 0.001 0.000 0.997 182 K HN 0.092 nan 8.250 nan 0.000 0.547 183 L N 0.653 121.896 121.223 0.034 0.000 3.122 183 L HA 0.347 5.185 4.340 0.831 0.000 0.274 183 L C -0.268 176.644 176.870 0.071 0.000 1.222 183 L CA -0.111 54.760 54.840 0.051 0.000 1.028 183 L CB 0.394 42.508 42.059 0.091 0.000 1.386 183 L HN -0.085 nan 8.230 nan 0.000 0.578 184 M N 0.604 120.236 119.600 0.053 0.000 2.465 184 M HA 0.397 5.375 4.480 0.831 0.000 0.316 184 M C -0.762 175.552 176.300 0.024 0.000 1.121 184 M CA -0.094 55.237 55.300 0.051 0.000 0.934 184 M CB 2.406 35.049 32.600 0.072 0.000 1.692 184 M HN -0.033 nan 8.290 nan 0.000 0.444 185 E N 1.664 121.875 120.200 0.019 0.000 2.216 185 E HA 0.344 5.193 4.350 0.831 0.000 0.260 185 E C -0.754 175.844 176.600 -0.003 0.000 0.880 185 E CA -0.131 56.273 56.400 0.006 0.000 0.765 185 E CB 0.667 30.372 29.700 0.007 0.000 1.174 185 E HN 0.808 nan 8.360 nan 0.000 0.417 186 N N 4.443 123.138 118.700 -0.008 0.000 2.716 186 N HA -0.275 4.964 4.740 0.831 0.000 0.250 186 N C -0.550 174.925 175.510 -0.059 0.000 1.033 186 N CA 0.967 54.002 53.050 -0.025 0.000 0.727 186 N CB -0.675 37.798 38.487 -0.023 0.000 0.950 186 N HN 0.746 nan 8.380 nan 0.000 0.541 187 Q N -2.794 116.960 119.800 -0.077 0.000 2.489 187 Q HA -0.201 4.638 4.340 0.831 0.000 0.259 187 Q C -0.750 175.156 176.000 -0.156 0.000 0.934 187 Q CA 0.976 56.658 55.803 -0.201 0.000 1.131 187 Q CB -1.034 27.502 28.738 -0.338 0.000 1.472 187 Q HN 0.665 nan 8.270 nan 0.000 0.560 188 I N 0.611 121.148 120.570 -0.056 0.000 2.433 188 I HA 0.328 4.997 4.170 0.831 0.000 0.292 188 I C 0.293 176.425 176.117 0.025 0.000 1.001 188 I CA -1.272 60.035 61.300 0.011 0.000 1.119 188 I CB 1.348 39.397 38.000 0.081 0.000 1.289 188 I HN 0.034 nan 8.210 nan 0.000 0.438 189 I N 6.736 127.302 120.570 -0.007 0.000 2.775 189 I HA -0.016 4.653 4.170 0.831 0.000 0.290 189 I C 0.558 176.758 176.117 0.137 0.000 1.203 189 I CA 0.632 61.971 61.300 0.066 0.000 1.433 189 I CB 0.073 38.112 38.000 0.066 0.000 1.354 189 I HN 0.497 nan 8.210 nan 0.000 0.579 190 R N 5.854 126.441 120.500 0.145 0.000 2.490 190 R HA 0.132 4.970 4.340 0.831 0.000 0.278 190 R C 0.649 177.101 176.300 0.252 0.000 1.069 190 R CA -0.277 55.912 56.100 0.148 0.000 1.080 190 R CB 0.517 30.860 30.300 0.071 0.000 1.030 190 R HN 0.726 nan 8.270 nan 0.000 0.491 191 F N 0.670 120.661 119.950 0.068 0.000 2.146 191 F HA -0.029 4.997 4.527 0.831 0.000 0.298 191 F C 0.659 176.488 175.800 0.048 0.000 1.096 191 F CA 1.050 59.084 58.000 0.056 0.000 1.275 191 F CB 0.363 39.292 39.000 -0.117 0.000 1.008 191 F HN 0.361 nan 8.300 nan 0.000 0.480 192 S N -1.215 114.467 115.700 -0.031 0.000 2.536 192 S HA 0.386 5.354 4.470 0.831 0.000 0.271 192 S C -2.161 172.379 174.600 -0.101 0.000 1.134 192 S CA -1.242 56.875 58.200 -0.138 0.000 0.897 192 S CB 1.529 64.693 63.200 -0.060 0.000 1.094 192 S HN -0.161 nan 8.310 nan 0.000 0.473 193 P HA -0.037 nan 4.420 nan 0.000 0.220 193 P C 0.048 177.076 177.300 -0.454 0.000 1.144 193 P CA 1.231 64.084 63.100 -0.411 0.000 0.800 193 P CB -0.072 31.208 31.700 -0.701 0.000 0.772 194 Y N -1.830 118.449 120.300 -0.036 0.000 2.457 194 Y HA 0.293 5.341 4.550 0.831 0.000 0.263 194 Y C 1.052 176.935 175.900 -0.027 0.000 1.164 194 Y CA -0.169 57.914 58.100 -0.029 0.000 1.274 194 Y CB 0.041 38.480 38.460 -0.035 0.000 1.097 194 Y HN -0.130 nan 8.280 nan 0.000 0.523 195 I N 0.089 120.699 120.570 0.067 0.000 2.533 195 I HA 0.275 4.944 4.170 0.831 0.000 0.290 195 I C -1.011 175.121 176.117 0.024 0.000 1.056 195 I CA -0.959 60.365 61.300 0.039 0.000 1.057 195 I CB 1.963 39.963 38.000 -0.000 0.000 1.240 195 I HN -0.170 nan 8.210 nan 0.000 0.423 196 D N 3.603 124.013 120.400 0.018 0.000 2.385 196 D HA 0.206 5.345 4.640 0.831 0.000 0.254 196 D C 0.350 176.651 176.300 0.002 0.000 1.053 196 D CA -0.183 53.823 54.000 0.009 0.000 0.992 196 D CB 0.801 41.605 40.800 0.006 0.000 1.145 196 D HN 0.557 nan 8.370 nan 0.000 0.523 197 N N -0.309 118.390 118.700 -0.003 0.000 2.725 197 N HA -0.217 5.022 4.740 0.831 0.000 0.251 197 N C -1.615 173.878 175.510 -0.028 0.000 1.031 197 N CA 0.299 53.340 53.050 -0.014 0.000 0.720 197 N CB -0.979 37.498 38.487 -0.016 0.000 0.930 197 N HN 0.322 nan 8.380 nan 0.000 0.543 198 L N -0.075 121.137 121.223 -0.017 0.000 2.516 198 L HA 0.661 5.500 4.340 0.831 0.000 0.267 198 L C -0.404 176.469 176.870 0.005 0.000 0.957 198 L CA -0.172 54.641 54.840 -0.045 0.000 0.860 198 L CB 1.885 43.905 42.059 -0.065 0.000 1.265 198 L HN 0.137 nan 8.230 nan 0.000 0.403 199 T N 1.809 116.338 114.554 -0.042 0.000 2.887 199 T HA 0.489 5.337 4.350 0.831 0.000 0.292 199 T C -1.924 172.695 174.700 -0.135 0.000 1.087 199 T CA -0.459 61.652 62.100 0.018 0.000 1.009 199 T CB 1.450 70.406 68.868 0.147 0.000 1.203 199 T HN 0.645 nan 8.240 nan 0.000 0.518 200 D N 1.818 122.111 120.400 -0.178 0.000 2.414 200 D HA 0.396 5.534 4.640 0.831 0.000 0.232 200 D C -1.818 174.398 176.300 -0.140 0.000 1.070 200 D CA -2.238 51.549 54.000 -0.356 0.000 0.839 200 D CB 2.070 42.388 40.800 -0.804 0.000 1.079 200 D HN 0.129 nan 8.370 nan 0.000 0.521 201 P HA -0.191 nan 4.420 nan 0.000 0.217 201 P C 1.374 178.779 177.300 0.174 0.000 1.148 201 P CA 1.344 64.397 63.100 -0.078 0.000 0.834 201 P CB 0.161 31.623 31.700 -0.397 0.000 0.783 202 S N -2.565 113.231 115.700 0.160 0.000 2.469 202 S HA -0.173 4.796 4.470 0.831 0.000 0.238 202 S C 1.532 176.425 174.600 0.489 0.000 0.998 202 S CA 0.835 59.220 58.200 0.307 0.000 0.957 202 S CB -1.318 62.080 63.200 0.329 0.000 0.764 202 S HN 0.085 nan 8.310 nan 0.000 0.514 203 Y N 1.271 121.727 120.300 0.261 0.000 2.546 203 Y HA 0.263 5.312 4.550 0.831 0.000 0.287 203 Y C 1.036 176.999 175.900 0.105 0.000 1.158 203 Y CA -0.829 57.391 58.100 0.201 0.000 1.307 203 Y CB -0.860 37.691 38.460 0.151 0.000 1.036 203 Y HN 0.430 nan 8.280 nan 0.000 0.532 204 H N 1.030 120.285 119.070 0.308 0.000 2.846 204 H HA 0.327 5.381 4.556 0.831 0.000 0.278 204 H C -0.288 175.094 175.328 0.091 0.000 1.117 204 H CA 0.077 56.283 56.048 0.264 0.000 1.406 204 H CB 0.518 30.406 29.762 0.210 0.000 1.445 204 H HN 0.054 nan 8.280 nan 0.000 0.469 205 I N 6.160 126.669 120.570 -0.100 0.000 2.668 205 I HA 0.152 4.821 4.170 0.831 0.000 0.276 205 I C -1.954 173.813 176.117 -0.583 0.000 1.139 205 I CA -1.838 59.181 61.300 -0.470 0.000 1.133 205 I CB 1.735 39.096 38.000 -1.065 0.000 1.327 205 I HN 0.246 nan 8.210 nan 0.000 0.520 206 P HA -0.211 nan 4.420 nan 0.000 0.215 206 P C 1.692 178.993 177.300 0.003 0.000 1.153 206 P CA 1.317 64.475 63.100 0.098 0.000 0.853 206 P CB 0.368 32.248 31.700 0.300 0.000 0.788 207 A N -1.363 121.461 122.820 0.007 0.000 1.972 207 A HA -0.203 4.615 4.320 0.831 0.000 0.219 207 A C 1.911 179.584 177.584 0.148 0.000 1.169 207 A CA 1.346 53.489 52.037 0.178 0.000 0.635 207 A CB -1.688 17.460 19.000 0.246 0.000 0.810 207 A HN 0.041 nan 8.150 nan 0.000 0.446 208 F N -0.829 118.824 119.950 -0.495 0.000 2.134 208 F HA -0.144 4.883 4.527 0.833 0.000 0.299 208 F C 2.195 177.311 175.800 -1.141 0.000 1.097 208 F CA 0.673 58.100 58.000 -0.956 0.000 1.264 208 F CB -1.426 36.854 39.000 -1.200 0.000 1.001 208 F HN 0.376 nan 8.300 nan 0.000 0.479 209 Y N -0.067 120.053 120.300 -0.300 0.000 2.242 209 Y HA -0.157 4.892 4.550 0.831 0.000 0.291 209 Y C 2.309 178.285 175.900 0.126 0.000 1.137 209 Y CA 0.554 58.606 58.100 -0.080 0.000 1.181 209 Y CB -1.323 37.310 38.460 0.287 0.000 0.989 209 Y HN 0.058 nan 8.280 nan 0.000 0.527 210 D N -0.903 119.674 120.400 0.296 0.000 2.117 210 D HA -0.222 4.917 4.640 0.831 0.000 0.197 210 D C 1.986 178.522 176.300 0.393 0.000 0.987 210 D CA 1.362 55.583 54.000 0.369 0.000 0.829 210 D CB -0.556 40.492 40.800 0.413 0.000 0.961 210 D HN 0.399 nan 8.370 nan 0.000 0.460 211 Y N 1.110 121.471 120.300 0.101 0.000 2.145 211 Y HA -0.260 4.789 4.550 0.832 0.000 0.286 211 Y C 2.065 178.038 175.900 0.123 0.000 1.145 211 Y CA 1.366 59.460 58.100 -0.010 0.000 1.148 211 Y CB -0.457 37.638 38.460 -0.608 0.000 0.981 211 Y HN -0.188 nan 8.280 nan 0.000 0.507 212 F N 0.307 120.196 119.950 -0.103 0.000 2.095 212 F HA -0.220 4.806 4.527 0.832 0.000 0.298 212 F C 2.731 178.442 175.800 -0.149 0.000 1.104 212 F CA 0.968 58.762 58.000 -0.344 0.000 1.232 212 F CB -1.742 36.807 39.000 -0.752 0.000 0.987 212 F HN 0.179 nan 8.300 nan 0.000 0.475 213 A N 0.292 123.291 122.820 0.298 0.000 1.940 213 A HA -0.219 4.600 4.320 0.831 0.000 0.219 213 A C 1.981 179.689 177.584 0.208 0.000 1.176 213 A CA 1.986 54.229 52.037 0.343 0.000 0.631 213 A CB -0.823 18.404 19.000 0.378 0.000 0.814 213 A HN 0.370 nan 8.150 nan 0.000 0.446 214 N N 0.150 118.962 118.700 0.187 0.000 2.515 214 N HA -0.015 5.224 4.740 0.831 0.000 0.185 214 N C 0.587 176.179 175.510 0.136 0.000 1.109 214 N CA 0.528 53.676 53.050 0.163 0.000 0.903 214 N CB -0.174 38.466 38.487 0.255 0.000 0.969 214 N HN 0.541 nan 8.380 nan 0.000 0.450 215 N N 0.189 118.931 118.700 0.069 0.000 2.177 215 N HA 0.055 5.294 4.740 0.831 0.000 0.218 215 N C -0.030 175.593 175.510 0.188 0.000 1.182 215 N CA 0.025 53.184 53.050 0.183 0.000 0.882 215 N CB 1.773 40.224 38.487 -0.060 0.000 1.052 215 N HN 0.029 nan 8.380 nan 0.000 0.519 216 V N -1.112 118.823 119.914 0.036 0.000 2.966 216 V HA 0.490 5.109 4.120 0.831 0.000 0.317 216 V C 1.459 177.455 176.094 -0.165 0.000 1.070 216 V CA -0.509 61.806 62.300 0.025 0.000 1.008 216 V CB 1.312 33.206 31.823 0.119 0.000 1.070 216 V HN 0.063 nan 8.190 nan 0.000 0.457 217 T N -0.340 114.135 114.554 -0.131 0.000 3.033 217 T HA 0.115 4.964 4.350 0.831 0.000 0.248 217 T C 0.687 175.323 174.700 -0.107 0.000 1.040 217 T CA 0.650 62.605 62.100 -0.242 0.000 1.133 217 T CB -0.653 68.098 68.868 -0.195 0.000 0.895 217 T HN 0.968 nan 8.240 nan 0.000 0.465 218 N N 1.006 119.690 118.700 -0.027 0.000 2.530 218 N HA 0.189 5.428 4.740 0.831 0.000 0.277 218 N C 0.987 176.509 175.510 0.020 0.000 1.168 218 N CA -0.735 52.314 53.050 -0.001 0.000 0.979 218 N CB 1.039 39.533 38.487 0.012 0.000 1.141 218 N HN 0.211 nan 8.380 nan 0.000 0.459 219 Q N 1.803 121.614 119.800 0.018 0.000 2.061 219 Q HA -0.259 4.579 4.340 0.831 0.000 0.204 219 Q C 1.782 177.813 176.000 0.051 0.000 0.984 219 Q CA 1.975 57.798 55.803 0.032 0.000 0.846 219 Q CB -0.365 28.387 28.738 0.023 0.000 0.902 219 Q HN 0.869 nan 8.270 nan 0.000 0.421 220 A N 0.855 123.700 122.820 0.041 0.000 1.902 220 A HA -0.217 4.601 4.320 0.831 0.000 0.217 220 A C 1.779 179.409 177.584 0.076 0.000 1.181 220 A CA 1.838 53.901 52.037 0.045 0.000 0.623 220 A CB -0.590 18.420 19.000 0.017 0.000 0.818 220 A HN 0.464 nan 8.150 nan 0.000 0.443 221 D N -0.840 119.610 120.400 0.083 0.000 2.183 221 D HA -0.099 5.040 4.640 0.831 0.000 0.203 221 D C 1.929 178.403 176.300 0.290 0.000 0.969 221 D CA 1.211 55.299 54.000 0.148 0.000 0.842 221 D CB -0.121 40.772 40.800 0.154 0.000 0.957 221 D HN 0.592 nan 8.370 nan 0.000 0.484 222 K N 0.862 121.393 120.400 0.217 0.000 2.026 222 K HA -0.159 4.659 4.320 0.831 0.000 0.208 222 K C 1.661 178.396 176.600 0.226 0.000 1.048 222 K CA 1.372 57.799 56.287 0.233 0.000 0.929 222 K CB 0.058 32.639 32.500 0.134 0.000 0.713 222 K HN -0.036 nan 8.250 nan 0.000 0.439 223 N N -0.474 118.319 118.700 0.155 0.000 2.120 223 N HA -0.175 5.064 4.740 0.831 0.000 0.188 223 N C 1.546 177.114 175.510 0.097 0.000 1.024 223 N CA 1.315 54.433 53.050 0.114 0.000 0.852 223 N CB -0.285 38.248 38.487 0.076 0.000 1.003 223 N HN 0.248 nan 8.380 nan 0.000 0.424 224 Y N -0.132 120.146 120.300 -0.036 0.000 2.081 224 Y HA -0.287 4.762 4.550 0.831 0.000 0.280 224 Y C 1.571 177.361 175.900 -0.184 0.000 1.163 224 Y CA 1.761 59.748 58.100 -0.189 0.000 1.135 224 Y CB -0.455 37.790 38.460 -0.359 0.000 0.970 224 Y HN 0.164 nan 8.280 nan 0.000 0.498 225 W N -0.598 120.825 121.300 0.205 0.000 2.436 225 W HA -0.122 5.037 4.660 0.831 0.000 0.284 225 W C 2.647 179.237 176.519 0.118 0.000 1.225 225 W CA 1.226 58.681 57.345 0.184 0.000 1.271 225 W CB -0.401 29.282 29.460 0.371 0.000 1.114 225 W HN -0.349 nan 8.180 nan 0.000 0.559 226 R N -0.026 120.652 120.500 0.297 0.000 2.096 226 R HA -0.156 4.683 4.340 0.831 0.000 0.235 226 R C 1.867 178.231 176.300 0.107 0.000 1.127 226 R CA 1.816 58.044 56.100 0.212 0.000 0.968 226 R CB -1.115 29.288 30.300 0.171 0.000 0.861 226 R HN 0.474 nan 8.270 nan 0.000 0.440 227 Q N -0.261 119.534 119.800 -0.008 0.000 2.119 227 Q HA -0.026 4.813 4.340 0.831 0.000 0.201 227 Q C 2.299 178.212 176.000 -0.145 0.000 0.972 227 Q CA 1.621 57.369 55.803 -0.092 0.000 0.847 227 Q CB -0.264 28.372 28.738 -0.169 0.000 0.903 227 Q HN 0.260 nan 8.270 nan 0.000 0.433 228 V N 0.985 120.747 119.914 -0.253 0.000 2.343 228 V HA -0.305 4.314 4.120 0.831 0.000 0.247 228 V C 2.236 178.298 176.094 -0.054 0.000 1.051 228 V CA 1.817 63.943 62.300 -0.290 0.000 1.036 228 V CB -0.993 30.569 31.823 -0.434 0.000 0.654 228 V HN 0.425 nan 8.190 nan 0.000 0.451 229 A N -0.255 122.675 122.820 0.184 0.000 1.877 229 A HA -0.242 4.577 4.320 0.831 0.000 0.216 229 A C 2.417 180.136 177.584 0.226 0.000 1.186 229 A CA 2.635 54.889 52.037 0.362 0.000 0.620 229 A CB -1.067 18.156 19.000 0.372 0.000 0.822 229 A HN 0.492 nan 8.150 nan 0.000 0.443 230 T N -0.058 114.575 114.554 0.131 0.000 2.746 230 T HA -0.125 4.724 4.350 0.831 0.000 0.267 230 T C 1.910 176.628 174.700 0.029 0.000 1.039 230 T CA 1.735 63.883 62.100 0.078 0.000 1.142 230 T CB -0.210 68.687 68.868 0.049 0.000 0.866 230 T HN 0.529 nan 8.240 nan 0.000 0.444 231 K N 0.868 121.270 120.400 0.003 0.000 2.147 231 K HA -0.016 4.803 4.320 0.831 0.000 0.205 231 K C 2.704 179.315 176.600 0.018 0.000 1.049 231 K CA 1.055 57.329 56.287 -0.021 0.000 0.936 231 K CB -0.174 32.292 32.500 -0.056 0.000 0.722 231 K HN 0.172 nan 8.250 nan 0.000 0.446 232 S N 0.765 116.535 115.700 0.117 0.000 2.371 232 S HA -0.067 4.902 4.470 0.831 0.000 0.224 232 S C 1.877 176.534 174.600 0.095 0.000 1.029 232 S CA 0.818 59.185 58.200 0.278 0.000 0.978 232 S CB 0.055 63.590 63.200 0.557 0.000 0.833 232 S HN 0.219 nan 8.310 nan 0.000 0.466 233 R N 0.126 120.656 120.500 0.049 0.000 2.096 233 R HA -0.045 4.794 4.340 0.831 0.000 0.235 233 R C 2.407 178.440 176.300 -0.446 0.000 1.127 233 R CA 1.823 57.810 56.100 -0.187 0.000 0.968 233 R CB -0.960 29.331 30.300 -0.015 0.000 0.861 233 R HN 0.393 nan 8.270 nan 0.000 0.440 234 T N 2.304 116.706 114.554 -0.253 0.000 2.746 234 T HA -0.103 4.745 4.350 0.831 0.000 0.267 234 T C 1.717 176.266 174.700 -0.251 0.000 1.039 234 T CA 0.887 62.835 62.100 -0.253 0.000 1.142 234 T CB -0.189 68.593 68.868 -0.144 0.000 0.866 234 T HN 0.115 nan 8.240 nan 0.000 0.444 235 L N 1.050 122.143 121.223 -0.217 0.000 1.989 235 L HA -0.049 4.790 4.340 0.831 0.000 0.211 235 L C 2.225 178.932 176.870 -0.272 0.000 1.071 235 L CA 1.869 56.558 54.840 -0.252 0.000 0.749 235 L CB -1.058 40.799 42.059 -0.337 0.000 0.890 235 L HN 0.334 nan 8.230 nan 0.000 0.431 236 L N -0.163 120.880 121.223 -0.300 0.000 2.046 236 L HA -0.241 4.598 4.340 0.831 0.000 0.208 236 L C 2.741 179.542 176.870 -0.116 0.000 1.077 236 L CA 1.294 56.047 54.840 -0.146 0.000 0.747 236 L CB -0.477 41.579 42.059 -0.004 0.000 0.896 236 L HN 0.259 nan 8.230 nan 0.000 0.432 237 K N -0.066 120.023 120.400 -0.519 0.000 2.032 237 K HA -0.170 4.649 4.320 0.831 0.000 0.209 237 K C 1.939 178.464 176.600 -0.124 0.000 1.048 237 K CA 1.561 57.608 56.287 -0.400 0.000 0.927 237 K CB -0.229 31.908 32.500 -0.605 0.000 0.712 237 K HN 0.280 nan 8.250 nan 0.000 0.441 238 N N 0.356 118.966 118.700 -0.148 0.000 2.142 238 N HA -0.163 5.076 4.740 0.831 0.000 0.186 238 N C 1.751 177.221 175.510 -0.067 0.000 1.023 238 N CA 1.224 54.217 53.050 -0.094 0.000 0.852 238 N CB -0.470 37.955 38.487 -0.104 0.000 0.998 238 N HN 0.300 nan 8.380 nan 0.000 0.424 239 H N -0.172 118.784 119.070 -0.190 0.000 2.353 239 H HA -0.002 5.051 4.556 0.830 0.000 0.300 239 H C 1.569 176.724 175.328 -0.288 0.000 1.090 239 H CA 1.559 57.441 56.048 -0.276 0.000 1.327 239 H CB -0.356 29.181 29.762 -0.375 0.000 1.383 239 H HN 0.091 nan 8.280 nan 0.000 0.508 240 F N -0.131 119.766 119.950 -0.088 0.000 2.234 240 F HA -0.142 4.879 4.527 0.823 0.000 0.299 240 F C 2.658 178.391 175.800 -0.113 0.000 1.087 240 F CA 1.566 59.510 58.000 -0.094 0.000 1.340 240 F CB -0.643 38.381 39.000 0.041 0.000 1.031 240 F HN 0.156 nan 8.300 nan 0.000 0.500 241 T N -0.216 114.364 114.554 0.044 0.000 2.708 241 T HA -0.191 4.658 4.350 0.831 0.000 0.266 241 T C 1.955 176.608 174.700 -0.078 0.000 1.037 241 T CA 1.387 63.480 62.100 -0.013 0.000 1.146 241 T CB -0.200 68.653 68.868 -0.026 0.000 0.865 241 T HN 0.201 nan 8.240 nan 0.000 0.435 242 K N 0.978 121.294 120.400 -0.139 0.000 2.211 242 K HA -0.006 4.813 4.320 0.831 0.000 0.203 242 K C 2.199 178.688 176.600 -0.185 0.000 1.050 242 K CA 1.069 57.260 56.287 -0.160 0.000 0.945 242 K CB -0.139 32.254 32.500 -0.179 0.000 0.732 242 K HN 0.389 nan 8.250 nan 0.000 0.451 243 V N -1.945 117.788 119.914 -0.302 0.000 3.649 243 V HA 0.104 4.722 4.120 0.831 0.000 0.275 243 V C 0.457 176.469 176.094 -0.136 0.000 1.281 243 V CA -0.260 61.888 62.300 -0.254 0.000 1.143 243 V CB 0.197 31.747 31.823 -0.455 0.000 0.892 243 V HN -0.074 nan 8.190 nan 0.000 0.441 244 S N 1.569 117.203 115.700 -0.110 0.000 2.549 244 S HA 0.547 5.516 4.470 0.831 0.000 0.279 244 S C 0.998 175.462 174.600 -0.226 0.000 1.321 244 S CA 0.557 58.700 58.200 -0.095 0.000 1.054 244 S CB 0.374 63.544 63.200 -0.050 0.000 0.899 244 S HN 1.511 nan 8.310 nan 0.000 0.497 245 G N 2.750 111.373 108.800 -0.295 0.000 2.601 245 G HA2 -0.247 4.212 3.960 0.831 0.000 0.261 245 G HA3 -0.247 4.212 3.960 0.831 0.000 0.261 245 G C 0.143 174.263 174.900 -1.299 0.000 1.289 245 G CA -0.142 44.547 45.100 -0.686 0.000 0.920 245 G HN 0.979 nan 8.290 nan 0.000 0.571 246 S N 1.156 115.960 115.700 -1.493 0.000 2.562 246 S HA 0.494 5.463 4.470 0.831 0.000 0.281 246 S C -0.108 174.116 174.600 -0.628 0.000 1.333 246 S CA 0.055 57.516 58.200 -1.231 0.000 1.052 246 S CB 1.011 63.871 63.200 -0.566 0.000 0.884 246 S HN 0.686 nan 8.310 nan 0.000 0.506 247 P HA 0.182 nan 4.420 nan 0.000 0.264 247 P C 0.361 177.412 177.300 -0.415 0.000 1.259 247 P CA 0.264 63.066 63.100 -0.498 0.000 0.841 247 P CB 0.144 31.604 31.700 -0.400 0.000 1.232 248 H N -1.978 116.951 119.070 -0.235 0.000 2.551 248 H HA 0.077 5.130 4.556 0.828 0.000 0.266 248 H C 0.063 175.296 175.328 -0.158 0.000 0.964 248 H CA 0.279 56.261 56.048 -0.111 0.000 1.180 248 H CB -0.335 29.331 29.762 -0.159 0.000 1.408 248 H HN 0.138 nan 8.280 nan 0.000 0.563 249 W N 1.547 122.785 121.300 -0.104 0.000 5.963 249 W HA -0.301 4.860 4.660 0.834 0.000 0.400 249 W C 0.029 176.324 176.519 -0.374 0.000 1.530 249 W CA 0.517 57.721 57.345 -0.235 0.000 1.004 249 W CB -2.298 26.989 29.460 -0.288 0.000 2.706 249 W HN 0.370 nan 8.180 nan 0.000 1.495 250 N N -2.567 116.088 118.700 -0.076 0.000 2.948 250 N HA -0.198 5.040 4.740 0.831 0.000 0.239 250 N C -0.343 175.137 175.510 -0.050 0.000 0.954 250 N CA 1.617 54.657 53.050 -0.017 0.000 0.941 250 N CB -1.425 37.109 38.487 0.080 0.000 1.101 250 N HN 0.385 nan 8.380 nan 0.000 0.579 251 L N 1.909 123.016 121.223 -0.193 0.000 2.317 251 L HA 0.509 5.348 4.340 0.831 0.000 0.281 251 L C -1.794 175.033 176.870 -0.071 0.000 1.024 251 L CA -1.559 53.178 54.840 -0.172 0.000 0.810 251 L CB 1.721 43.505 42.059 -0.457 0.000 1.240 251 L HN -0.196 nan 8.230 nan 0.000 0.427 252 P HA 0.147 nan 4.420 nan 0.000 0.274 252 P C -0.663 176.782 177.300 0.241 0.000 1.246 252 P CA -0.239 62.868 63.100 0.013 0.000 0.795 252 P CB 0.975 32.683 31.700 0.013 0.000 1.006 253 T N -2.667 112.065 114.554 0.297 0.000 2.940 253 T HA 0.303 5.152 4.350 0.831 0.000 0.288 253 T C 0.817 175.606 174.700 0.149 0.000 1.045 253 T CA -0.578 61.638 62.100 0.193 0.000 1.018 253 T CB 0.579 69.485 68.868 0.062 0.000 1.151 253 T HN 0.225 nan 8.240 nan 0.000 0.529 254 F N 1.357 121.298 119.950 -0.016 0.000 2.069 254 F HA 0.267 5.293 4.527 0.831 0.000 0.298 254 F C 0.193 175.899 175.800 -0.157 0.000 1.113 254 F CA 0.843 58.797 58.000 -0.077 0.000 1.214 254 F CB -0.495 38.464 39.000 -0.068 0.000 0.978 254 F HN 0.448 nan 8.300 nan 0.000 0.474 255 L N -0.105 120.857 121.223 -0.436 0.000 2.370 255 L HA 0.462 5.300 4.340 0.831 0.000 0.266 255 L C -0.386 176.274 176.870 -0.349 0.000 1.002 255 L CA -0.763 53.721 54.840 -0.594 0.000 0.818 255 L CB 1.857 43.411 42.059 -0.841 0.000 1.325 255 L HN -0.063 nan 8.230 nan 0.000 0.418 256 S N 1.043 116.547 115.700 -0.327 0.000 2.564 256 S HA 0.640 5.609 4.470 0.831 0.000 0.274 256 S C -0.741 173.752 174.600 -0.177 0.000 1.124 256 S CA -0.886 57.171 58.200 -0.238 0.000 0.869 256 S CB 1.644 64.631 63.200 -0.354 0.000 1.105 256 S HN 0.457 nan 8.310 nan 0.000 0.472 257 R N 2.089 122.517 120.500 -0.121 0.000 2.649 257 R HA 0.341 5.180 4.340 0.831 0.000 0.270 257 R C 1.262 177.513 176.300 -0.081 0.000 1.105 257 R CA -0.513 55.535 56.100 -0.087 0.000 1.193 257 R CB -0.275 29.988 30.300 -0.062 0.000 1.120 257 R HN 0.753 nan 8.270 nan 0.000 0.561 258 L N 0.952 122.140 121.223 -0.057 0.000 2.465 258 L HA -0.127 4.712 4.340 0.831 0.000 0.224 258 L C 1.183 178.015 176.870 -0.062 0.000 1.145 258 L CA 0.992 55.802 54.840 -0.050 0.000 0.834 258 L CB -0.465 41.577 42.059 -0.028 0.000 0.944 258 L HN 0.604 nan 8.230 nan 0.000 0.451 259 D N -0.602 119.762 120.400 -0.060 0.000 2.328 259 D HA 0.042 5.181 4.640 0.831 0.000 0.221 259 D C 1.421 177.680 176.300 -0.067 0.000 1.072 259 D CA 0.708 54.672 54.000 -0.061 0.000 0.850 259 D CB 0.347 41.118 40.800 -0.048 0.000 0.922 259 D HN 0.219 nan 8.370 nan 0.000 0.516 260 G N -0.314 108.442 108.800 -0.073 0.000 2.175 260 G HA2 -0.267 4.192 3.960 0.831 0.000 0.244 260 G HA3 -0.267 4.192 3.960 0.831 0.000 0.244 260 G C 0.260 175.177 174.900 0.028 0.000 0.982 260 G CA 0.145 45.224 45.100 -0.036 0.000 0.641 260 G HN 0.384 nan 8.290 nan 0.000 0.527 261 S N 2.860 118.543 115.700 -0.028 0.000 2.498 261 S HA 0.444 5.413 4.470 0.831 0.000 0.281 261 S C -1.897 172.676 174.600 -0.045 0.000 1.265 261 S CA -0.494 57.681 58.200 -0.042 0.000 1.071 261 S CB 1.198 64.376 63.200 -0.037 0.000 0.894 261 S HN 0.282 nan 8.310 nan 0.000 0.491 262 P HA 0.013 nan 4.420 nan 0.000 0.264 262 P C -0.596 176.653 177.300 -0.085 0.000 1.183 262 P CA -0.131 62.898 63.100 -0.120 0.000 0.763 262 P CB 0.320 31.796 31.700 -0.374 0.000 0.807 263 V N 5.391 125.232 119.914 -0.122 0.000 2.555 263 V HA 0.062 4.681 4.120 0.831 0.000 0.286 263 V C 0.633 176.671 176.094 -0.094 0.000 1.044 263 V CA 0.118 62.345 62.300 -0.122 0.000 1.026 263 V CB 0.155 31.855 31.823 -0.206 0.000 0.981 263 V HN 0.354 nan 8.190 nan 0.000 0.480 264 I N 4.964 125.509 120.570 -0.042 0.000 2.321 264 I HA 0.619 5.288 4.170 0.831 0.000 0.291 264 I C 0.881 176.963 176.117 -0.058 0.000 0.998 264 I CA 0.541 61.841 61.300 -0.000 0.000 1.227 264 I CB 0.150 38.205 38.000 0.092 0.000 1.368 264 I HN 0.896 nan 8.210 nan 0.000 0.466 265 G N 6.468 115.189 108.800 -0.132 0.000 2.598 265 G HA2 -0.275 4.183 3.960 0.831 0.000 0.244 265 G HA3 -0.275 4.183 3.960 0.831 0.000 0.244 265 G C -0.830 173.835 174.900 -0.391 0.000 1.302 265 G CA -0.451 44.517 45.100 -0.219 0.000 0.903 265 G HN 0.458 nan 8.290 nan 0.000 0.575 266 Y N 0.397 120.617 120.300 -0.133 0.000 2.299 266 Y HA 0.553 5.603 4.550 0.833 0.000 0.326 266 Y C 1.723 177.539 175.900 -0.141 0.000 1.164 266 Y CA 0.302 58.288 58.100 -0.190 0.000 1.234 266 Y CB 1.147 39.495 38.460 -0.187 0.000 1.219 266 Y HN 0.675 nan 8.280 nan 0.000 0.497 267 I N -0.832 119.722 120.570 -0.026 0.000 4.557 267 I HA 0.396 5.064 4.170 0.831 0.000 0.333 267 I C -0.786 175.421 176.117 0.150 0.000 1.332 267 I CA -0.221 61.106 61.300 0.046 0.000 1.240 267 I CB 0.696 38.723 38.000 0.045 0.000 1.312 267 I HN 0.290 nan 8.210 nan 0.000 0.457 268 F N -0.413 119.567 119.950 0.050 0.000 2.641 268 F HA 0.600 5.626 4.527 0.831 0.000 0.308 268 F C -1.096 174.744 175.800 0.066 0.000 1.105 268 F CA -1.263 56.769 58.000 0.053 0.000 0.964 268 F CB 0.415 39.450 39.000 0.058 0.000 1.294 268 F HN -0.272 nan 8.300 nan 0.000 0.442 269 N N 1.497 120.320 118.700 0.206 0.000 2.468 269 N HA 0.417 5.656 4.740 0.831 0.000 0.265 269 N C 0.974 176.612 175.510 0.213 0.000 1.199 269 N CA 1.403 54.515 53.050 0.105 0.000 0.928 269 N CB 1.164 39.708 38.487 0.095 0.000 1.059 269 N HN 1.242 nan 8.380 nan 0.000 0.467 270 G N 1.443 110.285 108.800 0.070 0.000 2.195 270 G HA2 -0.265 4.194 3.960 0.831 0.000 0.224 270 G HA3 -0.265 4.194 3.960 0.831 0.000 0.224 270 G C 0.197 175.159 174.900 0.104 0.000 0.990 270 G CA -0.067 45.126 45.100 0.156 0.000 0.639 270 G HN 0.648 nan 8.290 nan 0.000 0.514 271 Q N 0.605 120.213 119.800 -0.320 0.000 2.300 271 Q HA 0.540 5.378 4.340 0.831 0.000 0.280 271 Q C 1.684 177.683 176.000 -0.002 0.000 1.033 271 Q CA 0.736 56.265 55.803 -0.457 0.000 0.903 271 Q CB 0.874 28.999 28.738 -1.022 0.000 1.195 271 Q HN 0.736 nan 8.270 nan 0.000 0.386 272 A N 4.902 127.786 122.820 0.106 0.000 1.970 272 A HA 0.011 4.830 4.320 0.831 0.000 0.216 272 A C 0.265 177.848 177.584 -0.002 0.000 1.170 272 A CA 0.879 52.950 52.037 0.057 0.000 0.645 272 A CB 0.206 19.215 19.000 0.016 0.000 0.816 272 A HN 0.822 nan 8.150 nan 0.000 0.447 273 N N -1.708 116.935 118.700 -0.095 0.000 2.591 273 N HA 0.356 5.595 4.740 0.831 0.000 0.263 273 N C -3.355 171.726 175.510 -0.715 0.000 1.308 273 N CA -1.356 51.407 53.050 -0.478 0.000 0.837 273 N CB 1.291 39.458 38.487 -0.533 0.000 1.548 273 N HN -0.214 nan 8.380 nan 0.000 0.493 274 P HA 0.059 nan 4.420 nan 0.000 0.267 274 P C 0.883 177.894 177.300 -0.481 0.000 1.200 274 P CA 0.145 62.572 63.100 -1.122 0.000 0.772 274 P CB 0.461 31.517 31.700 -1.074 0.000 0.855 275 G N 2.331 110.912 108.800 -0.364 0.000 2.443 275 G HA2 -0.221 4.238 3.960 0.831 0.000 0.219 275 G HA3 -0.221 4.238 3.960 0.831 0.000 0.219 275 G C 1.034 175.885 174.900 -0.082 0.000 1.131 275 G CA 0.302 45.264 45.100 -0.230 0.000 0.775 275 G HN 0.622 nan 8.290 nan 0.000 0.547 276 Q N -0.585 119.175 119.800 -0.066 0.000 2.403 276 Q HA 0.009 4.848 4.340 0.831 0.000 0.203 276 Q C -0.162 175.938 176.000 0.167 0.000 0.932 276 Q CA -0.443 55.353 55.803 -0.011 0.000 0.945 276 Q CB -0.182 28.483 28.738 -0.121 0.000 1.045 276 Q HN 0.374 nan 8.270 nan 0.000 0.511 277 W N 1.875 123.152 121.300 -0.038 0.000 2.216 277 W HA 0.136 5.307 4.660 0.852 0.000 0.326 277 W C -0.045 176.534 176.519 0.101 0.000 1.319 277 W CA -1.294 56.060 57.345 0.015 0.000 1.213 277 W CB -0.154 29.290 29.460 -0.027 0.000 1.171 277 W HN 0.107 nan 8.180 nan 0.000 0.557 278 Y N 5.369 125.781 120.300 0.187 0.000 2.539 278 Y HA 0.244 5.294 4.550 0.833 0.000 0.352 278 Y C 0.186 176.162 175.900 0.126 0.000 1.004 278 Y CA -0.043 58.165 58.100 0.179 0.000 1.278 278 Y CB -0.159 38.419 38.460 0.197 0.000 1.136 278 Y HN 0.517 nan 8.280 nan 0.000 0.528 279 E N 3.087 123.108 120.200 -0.298 0.000 2.475 279 E HA 0.314 5.163 4.350 0.831 0.000 0.221 279 E C 0.073 176.093 176.600 -0.966 0.000 0.793 279 E CA -0.409 55.648 56.400 -0.570 0.000 0.922 279 E CB -0.214 29.321 29.700 -0.276 0.000 1.778 279 E HN 0.302 nan 8.360 nan 0.000 0.392 280 F N 0.799 120.302 119.950 -0.745 0.000 2.126 280 F HA -0.069 4.962 4.527 0.840 0.000 0.299 280 F C 1.866 177.249 175.800 -0.696 0.000 1.096 280 F CA 1.597 58.853 58.000 -1.239 0.000 1.255 280 F CB -0.732 37.761 39.000 -0.845 0.000 0.997 280 F HN 0.286 nan 8.300 nan 0.000 0.479 281 N N 0.560 119.132 118.700 -0.213 0.000 2.106 281 N HA -0.128 5.110 4.740 0.831 0.000 0.188 281 N C 2.100 177.668 175.510 0.097 0.000 1.029 281 N CA 1.433 54.508 53.050 0.042 0.000 0.848 281 N CB -0.685 37.881 38.487 0.131 0.000 1.007 281 N HN 0.296 nan 8.380 nan 0.000 0.423 282 A N 0.929 123.743 122.820 -0.010 0.000 2.070 282 A HA -0.132 4.686 4.320 0.831 0.000 0.220 282 A C 1.678 179.364 177.584 0.171 0.000 1.159 282 A CA 0.788 52.872 52.037 0.078 0.000 0.656 282 A CB -0.829 18.203 19.000 0.053 0.000 0.800 282 A HN 0.342 nan 8.150 nan 0.000 0.453 283 W N 0.423 121.647 121.300 -0.127 0.000 2.308 283 W HA -0.168 5.014 4.660 0.868 0.000 0.301 283 W C 2.285 178.888 176.519 0.141 0.000 1.220 283 W CA 1.228 58.589 57.345 0.027 0.000 1.240 283 W CB -0.821 28.689 29.460 0.084 0.000 1.142 283 W HN 0.395 nan 8.180 nan 0.000 0.521 284 R N -0.245 120.483 120.500 0.379 0.000 2.235 284 R HA -0.031 4.808 4.340 0.831 0.000 0.213 284 R C 1.915 178.351 176.300 0.226 0.000 1.059 284 R CA 0.979 57.236 56.100 0.262 0.000 0.997 284 R CB -0.662 29.803 30.300 0.275 0.000 0.884 284 R HN 0.083 nan 8.270 nan 0.000 0.462 285 V N 2.394 122.476 119.914 0.280 0.000 2.255 285 V HA -0.263 4.356 4.120 0.831 0.000 0.247 285 V C 2.357 178.620 176.094 0.281 0.000 1.051 285 V CA 2.180 64.657 62.300 0.296 0.000 1.018 285 V CB -0.527 31.496 31.823 0.334 0.000 0.641 285 V HN 0.403 nan 8.190 nan 0.000 0.445 286 I N -1.988 118.742 120.570 0.267 0.000 2.676 286 I HA -0.196 4.473 4.170 0.831 0.000 0.259 286 I C 2.372 178.494 176.117 0.008 0.000 1.194 286 I CA 1.699 63.078 61.300 0.131 0.000 1.473 286 I CB -0.457 37.587 38.000 0.075 0.000 1.096 286 I HN 0.310 nan 8.210 nan 0.000 0.443 287 M N 2.030 121.631 119.600 0.002 0.000 2.080 287 M HA -0.210 4.769 4.480 0.831 0.000 0.260 287 M C 1.885 178.099 176.300 -0.144 0.000 1.068 287 M CA 2.075 57.303 55.300 -0.121 0.000 1.109 287 M CB -0.317 32.210 32.600 -0.122 0.000 1.342 287 M HN 0.305 nan 8.290 nan 0.000 0.405 288 N N 0.001 118.674 118.700 -0.044 0.000 2.166 288 N HA -0.119 5.119 4.740 0.831 0.000 0.186 288 N C 1.664 177.168 175.510 -0.010 0.000 1.019 288 N CA 1.493 54.512 53.050 -0.051 0.000 0.856 288 N CB -0.632 37.878 38.487 0.038 0.000 0.993 288 N HN 0.282 nan 8.380 nan 0.000 0.426 289 V N 0.767 120.707 119.914 0.042 0.000 2.358 289 V HA -0.121 4.498 4.120 0.831 0.000 0.246 289 V C 2.436 178.504 176.094 -0.044 0.000 1.047 289 V CA 1.961 64.275 62.300 0.024 0.000 1.035 289 V CB -1.208 30.583 31.823 -0.054 0.000 0.658 289 V HN 0.327 nan 8.190 nan 0.000 0.452 290 G N -0.316 108.423 108.800 -0.102 0.000 2.421 290 G HA2 -0.271 4.188 3.960 0.831 0.000 0.216 290 G HA3 -0.271 4.188 3.960 0.831 0.000 0.216 290 G C 1.663 176.499 174.900 -0.107 0.000 1.171 290 G CA 1.139 46.159 45.100 -0.133 0.000 0.775 290 G HN 0.463 nan 8.290 nan 0.000 0.543 291 L N 0.204 121.350 121.223 -0.129 0.000 1.989 291 L HA -0.128 4.710 4.340 0.831 0.000 0.211 291 L C 2.483 179.322 176.870 -0.052 0.000 1.071 291 L CA 2.558 57.353 54.840 -0.074 0.000 0.749 291 L CB -0.382 41.584 42.059 -0.155 0.000 0.890 291 L HN 0.285 nan 8.230 nan 0.000 0.431 292 D N -0.546 119.829 120.400 -0.042 0.000 2.117 292 D HA -0.187 4.952 4.640 0.831 0.000 0.197 292 D C 2.130 178.361 176.300 -0.115 0.000 0.987 292 D CA 1.395 55.401 54.000 0.010 0.000 0.829 292 D CB 0.052 40.963 40.800 0.185 0.000 0.961 292 D HN 0.480 nan 8.370 nan 0.000 0.460 293 A N -0.609 122.050 122.820 -0.268 0.000 1.902 293 A HA -0.234 4.584 4.320 0.831 0.000 0.217 293 A C 2.187 179.623 177.584 -0.247 0.000 1.181 293 A CA 1.829 53.548 52.037 -0.531 0.000 0.623 293 A CB -1.095 17.587 19.000 -0.531 0.000 0.818 293 A HN 0.546 nan 8.150 nan 0.000 0.443 294 H N -0.967 117.955 119.070 -0.247 0.000 2.293 294 H HA -0.051 5.005 4.556 0.833 0.000 0.300 294 H C 1.850 177.032 175.328 -0.243 0.000 1.082 294 H CA 1.307 57.230 56.048 -0.208 0.000 1.308 294 H CB 0.005 29.693 29.762 -0.124 0.000 1.375 294 H HN 0.302 nan 8.280 nan 0.000 0.495 295 L N 0.172 121.216 121.223 -0.299 0.000 2.131 295 L HA -0.082 4.757 4.340 0.831 0.000 0.206 295 L C 1.686 178.412 176.870 -0.240 0.000 1.087 295 L CA 1.076 55.640 54.840 -0.460 0.000 0.767 295 L CB -0.269 41.434 42.059 -0.593 0.000 0.917 295 L HN 0.474 nan 8.230 nan 0.000 0.441 296 M N -1.369 118.157 119.600 -0.124 0.000 2.306 296 M HA 0.361 5.340 4.480 0.831 0.000 0.292 296 M C 0.586 176.849 176.300 -0.061 0.000 1.018 296 M CA 0.273 55.567 55.300 -0.010 0.000 1.007 296 M CB 0.360 33.023 32.600 0.104 0.000 1.510 296 M HN 0.139 nan 8.290 nan 0.000 0.537 297 G N 1.463 110.163 108.800 -0.167 0.000 2.770 297 G HA2 0.164 4.623 3.960 0.831 0.000 0.686 297 G HA3 0.164 4.623 3.960 0.831 0.000 0.686 297 G C -0.800 173.867 174.900 -0.387 0.000 1.180 297 G CA -0.607 44.372 45.100 -0.202 0.000 0.767 297 G HN 0.578 nan 8.290 nan 0.000 0.646 298 A N 2.335 124.921 122.820 -0.389 0.000 2.320 298 A HA 0.755 5.573 4.320 0.831 0.000 0.287 298 A C 0.410 177.827 177.584 -0.278 0.000 1.181 298 A CA -0.107 51.613 52.037 -0.528 0.000 0.831 298 A CB 0.751 19.534 19.000 -0.363 0.000 1.102 298 A HN 0.723 nan 8.150 nan 0.000 0.513 299 Q N 0.824 120.529 119.800 -0.159 0.000 2.333 299 Q HA 0.572 5.411 4.340 0.831 0.000 0.266 299 Q C 1.301 177.293 176.000 -0.014 0.000 1.053 299 Q CA -0.055 55.764 55.803 0.027 0.000 0.890 299 Q CB 1.538 30.398 28.738 0.204 0.000 1.337 299 Q HN 0.758 nan 8.270 nan 0.000 0.474 300 A N 1.167 124.014 122.820 0.044 0.000 1.940 300 A HA -0.166 4.653 4.320 0.831 0.000 0.219 300 A C 1.654 179.259 177.584 0.036 0.000 1.176 300 A CA 2.012 54.068 52.037 0.032 0.000 0.631 300 A CB -0.930 18.110 19.000 0.065 0.000 0.814 300 A HN 0.880 nan 8.150 nan 0.000 0.446 301 W N 0.020 121.311 121.300 -0.014 0.000 2.388 301 W HA -0.192 4.965 4.660 0.829 0.000 0.294 301 W C 1.520 177.934 176.519 -0.175 0.000 1.212 301 W CA 1.394 58.678 57.345 -0.103 0.000 1.271 301 W CB -1.174 28.206 29.460 -0.134 0.000 1.126 301 W HN 0.534 nan 8.180 nan 0.000 0.535 302 H N 1.361 119.818 119.070 -1.022 0.000 2.321 302 H HA -0.078 4.976 4.556 0.830 0.000 0.300 302 H C 2.239 177.263 175.328 -0.507 0.000 1.087 302 H CA 2.880 58.321 56.048 -1.012 0.000 1.319 302 H CB -0.300 28.908 29.762 -0.922 0.000 1.379 302 H HN 0.084 nan 8.280 nan 0.000 0.501 303 K N -0.200 120.074 120.400 -0.209 0.000 2.057 303 K HA -0.110 4.708 4.320 0.831 0.000 0.206 303 K C 2.527 179.045 176.600 -0.136 0.000 1.050 303 K CA 1.279 57.476 56.287 -0.150 0.000 0.935 303 K CB -0.142 32.295 32.500 -0.105 0.000 0.715 303 K HN 0.087 nan 8.250 nan 0.000 0.439 304 S N 0.660 116.293 115.700 -0.111 0.000 2.356 304 S HA -0.153 4.816 4.470 0.831 0.000 0.223 304 S C 2.098 176.610 174.600 -0.148 0.000 1.032 304 S CA 1.237 59.388 58.200 -0.081 0.000 1.005 304 S CB -0.260 62.930 63.200 -0.017 0.000 0.867 304 S HN 0.368 nan 8.310 nan 0.000 0.449 305 A N 0.754 123.399 122.820 -0.292 0.000 1.865 305 A HA -0.054 4.765 4.320 0.831 0.000 0.217 305 A C 2.370 179.700 177.584 -0.422 0.000 1.191 305 A CA 2.061 53.714 52.037 -0.640 0.000 0.623 305 A CB -1.139 17.055 19.000 -1.343 0.000 0.826 305 A HN 0.461 nan 8.150 nan 0.000 0.444 306 V N 0.672 120.387 119.914 -0.331 0.000 2.379 306 V HA -0.200 4.419 4.120 0.831 0.000 0.245 306 V C 2.293 178.278 176.094 -0.180 0.000 1.044 306 V CA 1.959 64.119 62.300 -0.232 0.000 1.036 306 V CB -0.968 30.727 31.823 -0.213 0.000 0.664 306 V HN 0.536 nan 8.190 nan 0.000 0.453 307 N N 0.579 119.193 118.700 -0.143 0.000 2.104 307 N HA -0.175 5.063 4.740 0.831 0.000 0.190 307 N C 1.816 177.285 175.510 -0.068 0.000 1.024 307 N CA 1.478 54.469 53.050 -0.097 0.000 0.853 307 N CB -0.268 38.182 38.487 -0.062 0.000 1.008 307 N HN 0.517 nan 8.380 nan 0.000 0.424 308 K N 0.548 120.918 120.400 -0.049 0.000 2.103 308 K HA 0.115 4.934 4.320 0.831 0.000 0.204 308 K C 2.107 178.725 176.600 0.029 0.000 1.052 308 K CA 0.978 57.270 56.287 0.008 0.000 0.945 308 K CB -0.056 32.463 32.500 0.033 0.000 0.722 308 K HN 0.102 nan 8.250 nan 0.000 0.443 309 A N 1.503 124.320 122.820 -0.005 0.000 1.873 309 A HA -0.116 4.703 4.320 0.831 0.000 0.215 309 A C 2.120 179.653 177.584 -0.086 0.000 1.186 309 A CA 1.222 53.255 52.037 -0.008 0.000 0.616 309 A CB -0.693 18.315 19.000 0.013 0.000 0.823 309 A HN 0.139 nan 8.150 nan 0.000 0.442 310 L N -0.634 120.466 121.223 -0.205 0.000 2.083 310 L HA -0.121 4.718 4.340 0.831 0.000 0.209 310 L C 2.809 179.626 176.870 -0.089 0.000 1.083 310 L CA 0.990 55.614 54.840 -0.359 0.000 0.752 310 L CB -0.858 40.824 42.059 -0.629 0.000 0.899 310 L HN 0.507 nan 8.230 nan 0.000 0.433 311 G N -0.116 108.666 108.800 -0.029 0.000 2.418 311 G HA2 -0.336 4.122 3.960 0.831 0.000 0.217 311 G HA3 -0.336 4.122 3.960 0.831 0.000 0.217 311 G C 1.485 176.406 174.900 0.036 0.000 1.158 311 G CA 0.647 45.764 45.100 0.028 0.000 0.771 311 G HN 0.314 nan 8.290 nan 0.000 0.545 312 F N 1.250 121.164 119.950 -0.060 0.000 2.102 312 F HA 0.023 5.087 4.527 0.896 0.000 0.298 312 F C 2.445 178.189 175.800 -0.093 0.000 1.105 312 F CA 1.234 59.193 58.000 -0.068 0.000 1.239 312 F CB -0.231 38.698 39.000 -0.118 0.000 0.991 312 F HN 0.046 nan 8.300 nan 0.000 0.474 313 L N -0.746 120.344 121.223 -0.222 0.000 2.083 313 L HA -0.227 4.612 4.340 0.831 0.000 0.209 313 L C 2.763 179.495 176.870 -0.230 0.000 1.083 313 L CA 1.483 56.092 54.840 -0.385 0.000 0.752 313 L CB -1.060 40.665 42.059 -0.558 0.000 0.899 313 L HN 0.234 nan 8.230 nan 0.000 0.433 314 S N -0.758 114.915 115.700 -0.045 0.000 2.356 314 S HA -0.268 4.701 4.470 0.831 0.000 0.223 314 S C 2.065 176.614 174.600 -0.084 0.000 1.032 314 S CA 1.359 59.553 58.200 -0.010 0.000 1.005 314 S CB -0.364 62.883 63.200 0.077 0.000 0.867 314 S HN 0.497 nan 8.310 nan 0.000 0.449 315 Y N 2.017 122.159 120.300 -0.263 0.000 2.128 315 Y HA -0.070 4.978 4.550 0.831 0.000 0.284 315 Y C 2.350 178.026 175.900 -0.374 0.000 1.154 315 Y CA 1.498 59.415 58.100 -0.306 0.000 1.149 315 Y CB -0.950 37.305 38.460 -0.343 0.000 0.976 315 Y HN 0.289 nan 8.280 nan 0.000 0.505 316 A N 0.545 122.995 122.820 -0.616 0.000 1.933 316 A HA -0.226 4.593 4.320 0.831 0.000 0.218 316 A C 2.310 179.739 177.584 -0.257 0.000 1.175 316 A CA 1.902 53.598 52.037 -0.569 0.000 0.628 316 A CB -0.817 17.755 19.000 -0.713 0.000 0.814 316 A HN 0.576 nan 8.150 nan 0.000 0.444 317 K N -0.161 120.153 120.400 -0.143 0.000 2.057 317 K HA -0.168 4.650 4.320 0.831 0.000 0.207 317 K C 2.088 178.607 176.600 -0.136 0.000 1.049 317 K CA 2.037 58.292 56.287 -0.054 0.000 0.931 317 K CB -0.393 32.122 32.500 0.024 0.000 0.714 317 K HN 0.604 nan 8.250 nan 0.000 0.440 318 T N -1.167 113.260 114.554 -0.211 0.000 2.962 318 T HA -0.048 4.801 4.350 0.831 0.000 0.270 318 T C 1.197 175.748 174.700 -0.248 0.000 1.088 318 T CA 0.958 62.930 62.100 -0.214 0.000 1.127 318 T CB -0.153 68.586 68.868 -0.215 0.000 0.883 318 T HN 0.123 nan 8.240 nan 0.000 0.493 319 N N 2.196 120.692 118.700 -0.339 0.000 2.376 319 N HA 0.183 5.421 4.740 0.831 0.000 0.249 319 N C -0.701 174.716 175.510 -0.155 0.000 1.140 319 N CA -0.058 52.822 53.050 -0.283 0.000 0.870 319 N CB 0.121 38.350 38.487 -0.430 0.000 1.124 319 N HN 0.464 nan 8.380 nan 0.000 0.505 320 N N 0.271 118.904 118.700 -0.113 0.000 2.314 320 N HA 0.058 5.297 4.740 0.831 0.000 0.294 320 N C 0.985 176.460 175.510 -0.058 0.000 1.029 320 N CA -0.077 52.938 53.050 -0.059 0.000 0.845 320 N CB 1.519 39.989 38.487 -0.028 0.000 1.321 320 N HN -0.017 nan 8.380 nan 0.000 0.481 321 S N 3.035 118.708 115.700 -0.045 0.000 2.442 321 S HA -0.074 4.894 4.470 0.831 0.000 0.236 321 S C 0.974 175.550 174.600 -0.041 0.000 1.007 321 S CA 0.969 59.145 58.200 -0.041 0.000 0.965 321 S CB -0.046 63.135 63.200 -0.032 0.000 0.773 321 S HN 0.615 nan 8.310 nan 0.000 0.504 322 K N 0.976 121.351 120.400 -0.042 0.000 2.404 322 K HA 0.219 5.038 4.320 0.831 0.000 0.194 322 K C 0.269 176.835 176.600 -0.057 0.000 1.023 322 K CA 0.175 56.435 56.287 -0.046 0.000 1.094 322 K CB -0.180 32.293 32.500 -0.045 0.000 0.841 322 K HN 0.351 nan 8.250 nan 0.000 0.523 323 N N 1.085 119.749 118.700 -0.060 0.000 2.725 323 N HA -0.179 5.060 4.740 0.831 0.000 0.251 323 N C -1.241 174.219 175.510 -0.085 0.000 1.031 323 N CA 0.813 53.821 53.050 -0.070 0.000 0.720 323 N CB -1.567 36.880 38.487 -0.067 0.000 0.930 323 N HN 0.490 nan 8.380 nan 0.000 0.543 324 c N -0.644 117.908 118.600 -0.081 0.000 2.994 324 c HA 0.807 5.876 4.570 0.831 0.000 0.305 324 c C 0.198 174.267 174.090 -0.034 0.000 1.251 324 c CA -1.534 54.716 56.329 -0.132 0.000 1.478 324 c CB 0.473 42.883 42.510 -0.167 0.000 1.922 324 c HN 0.362 nan 8.230 nan 0.000 0.472 325 Y N 0.352 120.659 120.300 0.011 0.000 2.301 325 Y HA 0.739 5.264 4.550 -0.041 0.000 0.328 325 Y C 0.216 176.217 175.900 0.168 0.000 1.242 325 Y CA -0.487 57.688 58.100 0.124 0.000 1.323 325 Y CB 0.407 38.931 38.460 0.107 0.000 1.266 325 Y HN 0.771 nan 8.280 nan 0.000 0.527 326 E N 1.280 121.742 120.200 0.437 0.000 2.267 326 E HA 0.144 4.993 4.350 0.831 0.000 0.258 326 E C 0.282 177.069 176.600 0.311 0.000 1.074 326 E CA -0.765 55.734 56.400 0.166 0.000 0.915 326 E CB 1.076 30.701 29.700 -0.125 0.000 1.186 326 E HN 0.803 nan 8.360 nan 0.000 0.439 327 Q N -0.351 119.555 119.800 0.177 0.000 2.245 327 Q HA 0.043 4.882 4.340 0.831 0.000 0.201 327 Q C -0.127 176.033 176.000 0.268 0.000 0.955 327 Q CA 0.634 56.642 55.803 0.343 0.000 0.870 327 Q CB 0.568 29.552 28.738 0.410 0.000 0.945 327 Q HN 0.146 nan 8.270 nan 0.000 0.461 328 V N 0.605 120.494 119.914 -0.041 0.000 2.623 328 V HA 0.340 4.959 4.120 0.831 0.000 0.304 328 V C -1.385 174.464 176.094 -0.408 0.000 1.054 328 V CA -0.824 61.346 62.300 -0.216 0.000 0.882 328 V CB 1.192 32.713 31.823 -0.504 0.000 1.002 328 V HN 0.054 nan 8.190 nan 0.000 0.424 329 Y N 1.654 121.976 120.300 0.037 0.000 2.536 329 Y HA 0.734 5.754 4.550 0.784 0.000 0.347 329 Y C 0.314 176.127 175.900 -0.146 0.000 1.000 329 Y CA -0.592 57.502 58.100 -0.011 0.000 1.051 329 Y CB 2.495 41.031 38.460 0.128 0.000 1.259 329 Y HN 0.553 nan 8.280 nan 0.000 0.468 330 S N 1.542 117.244 115.700 0.004 0.000 2.619 330 S HA 0.420 5.388 4.470 0.831 0.000 0.280 330 S C -1.476 173.223 174.600 0.164 0.000 1.150 330 S CA -0.550 57.645 58.200 -0.008 0.000 0.978 330 S CB 0.072 63.229 63.200 -0.073 0.000 1.041 330 S HN 0.623 nan 8.310 nan 0.000 0.485 331 Y N 2.204 122.616 120.300 0.187 0.000 3.491 331 Y HA -0.272 4.776 4.550 0.829 0.000 0.215 331 Y C 1.524 177.575 175.900 0.252 0.000 1.219 331 Y CA 1.442 59.628 58.100 0.143 0.000 1.485 331 Y CB -1.812 36.705 38.460 0.095 0.000 1.450 331 Y HN 1.448 nan 8.280 nan 0.000 0.603 332 G N -1.861 107.115 108.800 0.293 0.000 2.184 332 G HA2 -0.116 4.343 3.960 0.831 0.000 0.264 332 G HA3 -0.116 4.343 3.960 0.831 0.000 0.264 332 G C 0.524 175.704 174.900 0.466 0.000 0.975 332 G CA 0.211 45.458 45.100 0.244 0.000 0.642 332 G HN 1.408 nan 8.290 nan 0.000 0.536 333 G N -0.190 108.861 108.800 0.418 0.000 2.372 333 G HA2 0.784 5.243 3.960 0.831 0.000 0.323 333 G HA3 0.784 5.243 3.960 0.831 0.000 0.323 333 G C 0.243 175.291 174.900 0.246 0.000 1.152 333 G CA 0.519 45.822 45.100 0.339 0.000 0.906 333 G HN 1.475 nan 8.290 nan 0.000 0.460 334 A N 2.209 125.110 122.820 0.135 0.000 2.511 334 A HA 0.382 5.200 4.320 0.831 0.000 0.242 334 A C 0.907 178.340 177.584 -0.253 0.000 1.069 334 A CA -0.061 51.786 52.037 -0.317 0.000 0.763 334 A CB 0.451 19.343 19.000 -0.179 0.000 1.001 334 A HN 0.579 nan 8.150 nan 0.000 0.498 335 Q N 1.193 120.756 119.800 -0.394 0.000 2.220 335 Q HA 0.039 4.878 4.340 0.831 0.000 0.205 335 Q C 0.075 175.954 176.000 -0.201 0.000 0.865 335 Q CA -0.084 55.527 55.803 -0.321 0.000 0.960 335 Q CB -0.016 28.352 28.738 -0.617 0.000 1.097 335 Q HN 0.916 nan 8.270 nan 0.000 0.493 336 N N 1.488 120.085 118.700 -0.172 0.000 2.735 336 N HA -0.167 5.072 4.740 0.831 0.000 0.248 336 N C -0.541 174.937 175.510 -0.053 0.000 1.083 336 N CA 0.340 53.337 53.050 -0.088 0.000 0.703 336 N CB -0.308 38.154 38.487 -0.040 0.000 1.005 336 N HN 0.083 nan 8.380 nan 0.000 0.550 337 R N 0.261 120.717 120.500 -0.074 0.000 2.609 337 R HA 0.491 5.330 4.340 0.831 0.000 0.326 337 R C 1.015 177.343 176.300 0.047 0.000 1.090 337 R CA 0.431 56.538 56.100 0.011 0.000 1.072 337 R CB -0.311 30.002 30.300 0.023 0.000 1.330 337 R HN 0.496 nan 8.270 nan 0.000 0.572 338 G N 0.297 109.099 108.800 0.004 0.000 2.675 338 G HA2 -0.214 4.245 3.960 0.831 0.000 0.686 338 G HA3 -0.214 4.245 3.960 0.831 0.000 0.686 338 G C -0.133 174.767 174.900 -0.000 0.000 1.215 338 G CA -0.921 44.184 45.100 0.008 0.000 0.777 338 G HN 0.224 nan 8.290 nan 0.000 0.638 339 c N 1.299 119.880 118.600 -0.031 0.000 2.703 339 c HA 0.557 5.626 4.570 0.831 0.000 0.411 339 c C 1.858 175.898 174.090 -0.083 0.000 1.290 339 c CA 0.633 56.917 56.329 -0.075 0.000 2.054 339 c CB -0.094 42.355 42.510 -0.102 0.000 2.732 339 c HN 2.039 nan 8.230 nan 0.000 0.650 340 A N 3.066 125.770 122.820 -0.193 0.000 2.567 340 A HA 0.456 5.274 4.320 0.831 0.000 0.240 340 A C 0.868 178.347 177.584 -0.175 0.000 1.053 340 A CA 0.748 52.642 52.037 -0.239 0.000 0.755 340 A CB -0.235 18.454 19.000 -0.518 0.000 0.978 340 A HN 1.173 nan 8.150 nan 0.000 0.507 341 G N 1.148 109.884 108.800 -0.106 0.000 2.606 341 G HA2 0.455 4.913 3.960 0.831 0.000 0.262 341 G HA3 0.455 4.913 3.960 0.831 0.000 0.262 341 G C 0.372 175.246 174.900 -0.043 0.000 1.394 341 G CA -0.040 45.039 45.100 -0.033 0.000 1.044 341 G HN 0.670 nan 8.290 nan 0.000 0.553 342 E N -0.447 119.770 120.200 0.030 0.000 2.106 342 E HA 0.008 4.856 4.350 0.831 0.000 0.192 342 E C 2.491 179.171 176.600 0.132 0.000 0.984 342 E CA 1.239 57.693 56.400 0.090 0.000 0.806 342 E CB -0.289 29.450 29.700 0.065 0.000 0.750 342 E HN 0.459 nan 8.360 nan 0.000 0.458 343 G N 0.524 109.374 108.800 0.083 0.000 2.408 343 G HA2 -0.325 4.134 3.960 0.831 0.000 0.217 343 G HA3 -0.325 4.134 3.960 0.831 0.000 0.217 343 G C 1.519 176.373 174.900 -0.077 0.000 1.150 343 G CA 0.658 45.785 45.100 0.044 0.000 0.776 343 G HN 0.220 nan 8.290 nan 0.000 0.542 344 Q N 0.137 119.674 119.800 -0.438 0.000 2.079 344 Q HA -0.046 4.793 4.340 0.831 0.000 0.200 344 Q C 2.456 178.356 176.000 -0.167 0.000 0.974 344 Q CA 1.188 56.566 55.803 -0.708 0.000 0.840 344 Q CB -0.090 27.806 28.738 -1.403 0.000 0.898 344 Q HN 0.415 nan 8.270 nan 0.000 0.430 345 K N -0.034 120.347 120.400 -0.033 0.000 2.097 345 K HA -0.137 4.682 4.320 0.831 0.000 0.206 345 K C 2.034 178.698 176.600 0.108 0.000 1.049 345 K CA 1.102 57.479 56.287 0.150 0.000 0.933 345 K CB -0.144 32.459 32.500 0.172 0.000 0.717 345 K HN 0.222 nan 8.250 nan 0.000 0.442 346 A N 1.621 124.484 122.820 0.072 0.000 1.873 346 A HA -0.108 4.711 4.320 0.831 0.000 0.215 346 A C 2.417 179.818 177.584 -0.306 0.000 1.186 346 A CA 1.793 53.698 52.037 -0.220 0.000 0.616 346 A CB -0.781 18.233 19.000 0.024 0.000 0.823 346 A HN 0.318 nan 8.150 nan 0.000 0.442 347 A N 0.387 123.119 122.820 -0.146 0.000 1.908 347 A HA -0.229 4.590 4.320 0.831 0.000 0.218 347 A C 1.881 179.389 177.584 -0.127 0.000 1.181 347 A CA 1.950 53.917 52.037 -0.118 0.000 0.627 347 A CB -0.685 18.329 19.000 0.024 0.000 0.818 347 A HN 0.553 nan 8.150 nan 0.000 0.445 348 N N 0.295 118.946 118.700 -0.081 0.000 2.309 348 N HA -0.040 5.199 4.740 0.831 0.000 0.182 348 N C 1.773 177.201 175.510 -0.137 0.000 1.018 348 N CA 1.345 54.328 53.050 -0.112 0.000 0.876 348 N CB -0.536 37.939 38.487 -0.020 0.000 0.972 348 N HN 0.493 nan 8.380 nan 0.000 0.434 349 A N 0.593 123.328 122.820 -0.142 0.000 1.930 349 A HA -0.049 4.770 4.320 0.831 0.000 0.217 349 A C 2.401 179.895 177.584 -0.150 0.000 1.175 349 A CA 1.080 53.033 52.037 -0.140 0.000 0.627 349 A CB -0.616 18.118 19.000 -0.443 0.000 0.815 349 A HN 0.096 nan 8.150 nan 0.000 0.443 350 V N -0.025 119.736 119.914 -0.257 0.000 2.427 350 V HA -0.222 4.396 4.120 0.831 0.000 0.248 350 V C 2.993 178.968 176.094 -0.197 0.000 1.051 350 V CA 1.647 63.795 62.300 -0.253 0.000 1.048 350 V CB -1.257 30.314 31.823 -0.420 0.000 0.666 350 V HN 0.595 nan 8.190 nan 0.000 0.456 351 A N 0.097 122.806 122.820 -0.185 0.000 2.032 351 A HA -0.190 4.629 4.320 0.831 0.000 0.221 351 A C 2.152 179.649 177.584 -0.144 0.000 1.165 351 A CA 1.693 53.630 52.037 -0.166 0.000 0.645 351 A CB -0.624 18.265 19.000 -0.184 0.000 0.807 351 A HN 0.557 nan 8.150 nan 0.000 0.453 352 L N -0.757 120.397 121.223 -0.114 0.000 2.349 352 L HA -0.159 4.680 4.340 0.831 0.000 0.220 352 L C 2.041 178.943 176.870 0.054 0.000 1.130 352 L CA 0.564 55.380 54.840 -0.040 0.000 0.791 352 L CB -0.551 41.484 42.059 -0.039 0.000 0.918 352 L HN 0.383 nan 8.230 nan 0.000 0.444 353 L N -0.279 120.916 121.223 -0.047 0.000 2.450 353 L HA -0.151 4.688 4.340 0.831 0.000 0.224 353 L C 2.194 178.988 176.870 -0.126 0.000 1.149 353 L CA 0.808 55.582 54.840 -0.110 0.000 0.816 353 L CB -0.459 41.492 42.059 -0.181 0.000 0.932 353 L HN 0.262 nan 8.230 nan 0.000 0.449 354 A N -1.877 120.875 122.820 -0.114 0.000 2.431 354 A HA 0.156 4.975 4.320 0.831 0.000 0.239 354 A C 1.013 178.542 177.584 -0.092 0.000 1.230 354 A CA -0.111 51.836 52.037 -0.150 0.000 0.928 354 A CB 0.213 19.099 19.000 -0.190 0.000 1.006 354 A HN 0.183 nan 8.150 nan 0.000 0.520 355 S N 0.401 116.103 115.700 0.004 0.000 2.580 355 S HA 0.333 5.302 4.470 0.831 0.000 0.274 355 S C 1.138 175.826 174.600 0.146 0.000 1.329 355 S CA 0.600 58.834 58.200 0.056 0.000 1.036 355 S CB 0.659 63.892 63.200 0.055 0.000 0.919 355 S HN 0.637 nan 8.310 nan 0.000 0.515 356 T N 0.831 115.439 114.554 0.089 0.000 3.182 356 T HA 0.294 5.143 4.350 0.831 0.000 0.277 356 T C -0.027 174.756 174.700 0.138 0.000 1.013 356 T CA -0.584 61.572 62.100 0.092 0.000 0.900 356 T CB -0.346 68.524 68.868 0.003 0.000 1.098 356 T HN 0.454 nan 8.240 nan 0.000 0.543 357 N N 1.061 119.853 118.700 0.153 0.000 2.518 357 N HA 0.552 5.791 4.740 0.831 0.000 0.254 357 N C 1.047 176.583 175.510 0.043 0.000 0.979 357 N CA -0.080 53.019 53.050 0.081 0.000 0.930 357 N CB 1.639 40.138 38.487 0.021 0.000 1.152 357 N HN 0.206 nan 8.380 nan 0.000 0.505 358 A N 3.070 125.956 122.820 0.109 0.000 1.933 358 A HA -0.009 4.810 4.320 0.831 0.000 0.218 358 A C 1.899 179.435 177.584 -0.080 0.000 1.175 358 A CA 1.855 53.919 52.037 0.046 0.000 0.628 358 A CB -0.855 18.246 19.000 0.168 0.000 0.814 358 A HN 0.666 nan 8.150 nan 0.000 0.444 359 G N -0.805 107.981 108.800 -0.024 0.000 2.446 359 G HA2 -0.283 4.176 3.960 0.831 0.000 0.217 359 G HA3 -0.283 4.176 3.960 0.831 0.000 0.217 359 G C 1.607 176.495 174.900 -0.019 0.000 1.168 359 G CA 1.054 46.141 45.100 -0.021 0.000 0.771 359 G HN 0.621 nan 8.290 nan 0.000 0.551 360 Q N 0.121 119.921 119.800 -0.000 0.000 2.061 360 Q HA -0.116 4.723 4.340 0.831 0.000 0.204 360 Q C 3.067 179.108 176.000 0.068 0.000 0.984 360 Q CA 1.436 57.298 55.803 0.099 0.000 0.846 360 Q CB -0.322 28.444 28.738 0.046 0.000 0.902 360 Q HN 0.486 nan 8.270 nan 0.000 0.421 361 A N 1.555 124.240 122.820 -0.225 0.000 1.883 361 A HA -0.264 4.555 4.320 0.831 0.000 0.217 361 A C 1.881 179.369 177.584 -0.160 0.000 1.186 361 A CA 1.698 53.472 52.037 -0.439 0.000 0.624 361 A CB -0.985 17.144 19.000 -1.451 0.000 0.822 361 A HN 0.495 nan 8.150 nan 0.000 0.444 362 N N -0.322 118.299 118.700 -0.133 0.000 2.036 362 N HA -0.255 4.984 4.740 0.831 0.000 0.195 362 N C 1.887 177.423 175.510 0.044 0.000 1.037 362 N CA 2.523 55.561 53.050 -0.019 0.000 0.855 362 N CB -0.225 38.246 38.487 -0.026 0.000 1.033 362 N HN 0.580 nan 8.380 nan 0.000 0.423 363 E N 0.799 121.005 120.200 0.011 0.000 2.017 363 E HA -0.169 4.680 4.350 0.831 0.000 0.193 363 E C 1.868 178.429 176.600 -0.066 0.000 0.997 363 E CA 1.471 57.832 56.400 -0.065 0.000 0.804 363 E CB -1.235 28.363 29.700 -0.170 0.000 0.757 363 E HN 0.502 nan 8.360 nan 0.000 0.448 364 F N -0.803 119.166 119.950 0.032 0.000 2.186 364 F HA 0.082 5.087 4.527 0.796 0.000 0.299 364 F C 2.224 178.087 175.800 0.105 0.000 1.090 364 F CA 1.387 59.423 58.000 0.060 0.000 1.307 364 F CB -0.316 38.689 39.000 0.008 0.000 1.019 364 F HN 0.288 nan 8.300 nan 0.000 0.489 365 F N 1.158 121.205 119.950 0.162 0.000 2.146 365 F HA -0.177 4.849 4.527 0.831 0.000 0.298 365 F C 2.216 178.161 175.800 0.242 0.000 1.096 365 F CA 1.439 59.542 58.000 0.172 0.000 1.275 365 F CB -0.493 38.530 39.000 0.037 0.000 1.008 365 F HN -0.153 nan 8.300 nan 0.000 0.480 366 N N 0.472 119.308 118.700 0.227 0.000 2.244 366 N HA -0.177 5.062 4.740 0.831 0.000 0.183 366 N C 1.765 177.324 175.510 0.081 0.000 1.016 366 N CA 1.253 54.401 53.050 0.164 0.000 0.866 366 N CB -0.448 38.123 38.487 0.139 0.000 0.980 366 N HN 0.336 nan 8.380 nan 0.000 0.430 367 E N 0.081 120.313 120.200 0.053 0.000 2.153 367 E HA -0.101 4.748 4.350 0.831 0.000 0.194 367 E C 1.571 178.209 176.600 0.063 0.000 0.988 367 E CA 0.608 57.022 56.400 0.024 0.000 0.811 367 E CB -0.225 29.466 29.700 -0.014 0.000 0.746 367 E HN 0.347 nan 8.360 nan 0.000 0.466 368 F N -0.818 119.094 119.950 -0.063 0.000 2.149 368 F HA -0.047 4.974 4.527 0.823 0.000 0.294 368 F C 1.963 177.727 175.800 -0.060 0.000 1.095 368 F CA 1.260 59.214 58.000 -0.077 0.000 1.276 368 F CB -0.462 38.441 39.000 -0.161 0.000 1.023 368 F HN 0.149 nan 8.300 nan 0.000 0.480 369 W N 0.807 121.789 121.300 -0.530 0.000 2.465 369 W HA -0.108 5.046 4.660 0.824 0.000 0.268 369 W C 1.757 178.109 176.519 -0.278 0.000 1.242 369 W CA 1.408 58.446 57.345 -0.511 0.000 1.248 369 W CB -0.143 29.127 29.460 -0.317 0.000 1.118 369 W HN 0.031 nan 8.180 nan 0.000 0.587 370 S N 0.719 116.361 115.700 -0.096 0.000 2.527 370 S HA 0.063 5.032 4.470 0.831 0.000 0.222 370 S C 0.876 175.378 174.600 -0.163 0.000 0.985 370 S CA 0.093 58.234 58.200 -0.098 0.000 0.921 370 S CB -0.163 63.022 63.200 -0.024 0.000 0.772 370 S HN 0.002 nan 8.310 nan 0.000 0.529 371 L N 1.932 123.027 121.223 -0.213 0.000 2.439 371 L HA 0.175 5.014 4.340 0.831 0.000 0.269 371 L C 0.520 177.251 176.870 -0.232 0.000 1.179 371 L CA -0.322 54.406 54.840 -0.187 0.000 0.828 371 L CB 0.437 42.408 42.059 -0.147 0.000 1.106 371 L HN 0.043 nan 8.230 nan 0.000 0.467 372 S N 1.114 116.686 115.700 -0.214 0.000 2.592 372 S HA 0.088 5.056 4.470 0.831 0.000 0.271 372 S C -0.152 174.202 174.600 -0.411 0.000 1.326 372 S CA -0.574 57.481 58.200 -0.242 0.000 1.024 372 S CB 1.128 64.228 63.200 -0.167 0.000 0.921 372 S HN 0.549 nan 8.310 nan 0.000 0.527 373 Q N 1.817 121.336 119.800 -0.467 0.000 2.315 373 Q HA 0.075 4.914 4.340 0.831 0.000 0.289 373 Q C -2.380 173.347 176.000 -0.456 0.000 1.044 373 Q CA -1.195 54.169 55.803 -0.731 0.000 0.920 373 Q CB 0.113 28.630 28.738 -0.368 0.000 1.214 373 Q HN 0.234 nan 8.270 nan 0.000 0.392 374 P HA -0.045 nan 4.420 nan 0.000 0.264 374 P C -1.097 176.150 177.300 -0.089 0.000 1.183 374 P CA 0.361 63.348 63.100 -0.188 0.000 0.763 374 P CB 0.743 32.379 31.700 -0.107 0.000 0.807 375 T N -0.551 113.981 114.554 -0.037 0.000 2.831 375 T HA 0.773 5.622 4.350 0.831 0.000 0.287 375 T C 0.259 174.977 174.700 0.031 0.000 1.070 375 T CA -0.161 61.938 62.100 -0.003 0.000 1.010 375 T CB 1.473 70.331 68.868 -0.016 0.000 1.264 375 T HN 0.699 nan 8.240 nan 0.000 0.532 376 G N 0.707 109.523 108.800 0.027 0.000 2.642 376 G HA2 -0.177 4.282 3.960 0.831 0.000 0.231 376 G HA3 -0.177 4.282 3.960 0.831 0.000 0.231 376 G C 0.001 174.895 174.900 -0.010 0.000 1.338 376 G CA 0.320 45.431 45.100 0.018 0.000 0.883 376 G HN 0.785 nan 8.290 nan 0.000 0.570 377 D N -0.629 119.709 120.400 -0.103 0.000 2.312 377 D HA 0.056 5.195 4.640 0.831 0.000 0.211 377 D C 1.495 177.544 176.300 -0.418 0.000 0.964 377 D CA 1.270 55.088 54.000 -0.304 0.000 0.877 377 D CB -0.024 40.472 40.800 -0.505 0.000 0.924 377 D HN 0.410 nan 8.370 nan 0.000 0.515 378 Y N 0.073 120.430 120.300 0.095 0.000 2.607 378 Y HA 0.176 5.230 4.550 0.839 0.000 0.266 378 Y C 1.788 177.788 175.900 0.167 0.000 1.178 378 Y CA -0.364 57.818 58.100 0.135 0.000 1.226 378 Y CB 0.020 38.560 38.460 0.132 0.000 1.144 378 Y HN -0.054 nan 8.280 nan 0.000 0.528 379 R N -1.219 119.409 120.500 0.214 0.000 2.276 379 R HA -0.147 4.692 4.340 0.831 0.000 0.203 379 R C 1.571 178.007 176.300 0.227 0.000 1.017 379 R CA 0.835 57.045 56.100 0.183 0.000 1.010 379 R CB -0.844 29.521 30.300 0.110 0.000 0.900 379 R HN 0.394 nan 8.270 nan 0.000 0.469 380 Y N 0.900 121.311 120.300 0.186 0.000 2.070 380 Y HA -0.316 4.734 4.550 0.832 0.000 0.280 380 Y C 1.944 178.051 175.900 0.346 0.000 1.148 380 Y CA 1.796 60.032 58.100 0.228 0.000 1.125 380 Y CB -0.570 38.007 38.460 0.195 0.000 0.975 380 Y HN 0.088 nan 8.280 nan 0.000 0.492 381 Y N 1.211 121.521 120.300 0.015 0.000 2.269 381 Y HA -0.063 4.985 4.550 0.829 0.000 0.294 381 Y C 2.257 178.222 175.900 0.108 0.000 1.120 381 Y CA 1.564 59.628 58.100 -0.059 0.000 1.159 381 Y CB -0.796 37.766 38.460 0.170 0.000 1.024 381 Y HN 0.200 nan 8.280 nan 0.000 0.532 382 N N 0.103 118.899 118.700 0.160 0.000 2.069 382 N HA -0.152 5.087 4.740 0.831 0.000 0.191 382 N C 2.036 177.595 175.510 0.082 0.000 1.031 382 N CA 1.643 54.760 53.050 0.111 0.000 0.852 382 N CB -0.920 37.671 38.487 0.174 0.000 1.018 382 N HN 0.514 nan 8.380 nan 0.000 0.423 383 G N 0.054 108.904 108.800 0.084 0.000 2.403 383 G HA2 -0.143 4.316 3.960 0.831 0.000 0.216 383 G HA3 -0.143 4.316 3.960 0.831 0.000 0.216 383 G C 1.797 176.774 174.900 0.129 0.000 1.154 383 G CA 0.701 45.861 45.100 0.100 0.000 0.784 383 G HN 0.254 nan 8.290 nan 0.000 0.538 384 S N 0.477 116.203 115.700 0.042 0.000 2.356 384 S HA -0.011 4.958 4.470 0.831 0.000 0.223 384 S C 2.286 176.867 174.600 -0.031 0.000 1.032 384 S CA 0.792 59.025 58.200 0.056 0.000 1.005 384 S CB -0.265 62.987 63.200 0.086 0.000 0.867 384 S HN 0.296 nan 8.310 nan 0.000 0.449 385 L N -0.314 120.812 121.223 -0.161 0.000 2.093 385 L HA -0.109 4.730 4.340 0.831 0.000 0.208 385 L C 2.307 179.183 176.870 0.010 0.000 1.085 385 L CA 1.358 56.074 54.840 -0.206 0.000 0.755 385 L CB -0.534 41.349 42.059 -0.293 0.000 0.904 385 L HN 0.342 nan 8.230 nan 0.000 0.435 386 Y N 0.375 120.689 120.300 0.024 0.000 2.165 386 Y HA -0.374 4.672 4.550 0.826 0.000 0.286 386 Y C 2.700 178.721 175.900 0.201 0.000 1.155 386 Y CA 2.060 60.262 58.100 0.169 0.000 1.164 386 Y CB -0.046 38.490 38.460 0.128 0.000 0.978 386 Y HN 0.109 nan 8.280 nan 0.000 0.513 387 M N 0.092 119.867 119.600 0.292 0.000 2.065 387 M HA -0.210 4.769 4.480 0.831 0.000 0.259 387 M C 1.929 178.368 176.300 0.231 0.000 1.069 387 M CA 1.890 57.353 55.300 0.271 0.000 1.110 387 M CB -0.738 32.056 32.600 0.322 0.000 1.328 387 M HN 0.355 nan 8.290 nan 0.000 0.405 388 L N -0.336 120.999 121.223 0.186 0.000 2.042 388 L HA -0.198 4.641 4.340 0.831 0.000 0.210 388 L C 2.589 179.618 176.870 0.265 0.000 1.076 388 L CA 1.332 56.322 54.840 0.250 0.000 0.749 388 L CB -1.256 40.861 42.059 0.098 0.000 0.893 388 L HN 0.479 nan 8.230 nan 0.000 0.432 389 A N -0.599 122.252 122.820 0.052 0.000 1.902 389 A HA -0.213 4.606 4.320 0.831 0.000 0.217 389 A C 2.324 179.951 177.584 0.072 0.000 1.181 389 A CA 1.482 53.467 52.037 -0.087 0.000 0.623 389 A CB -0.394 18.351 19.000 -0.425 0.000 0.818 389 A HN 0.270 nan 8.150 nan 0.000 0.443 390 M N -0.382 119.301 119.600 0.138 0.000 2.149 390 M HA -0.116 4.863 4.480 0.831 0.000 0.261 390 M C 2.113 178.577 176.300 0.273 0.000 1.064 390 M CA 1.345 56.783 55.300 0.232 0.000 1.102 390 M CB -1.319 31.345 32.600 0.106 0.000 1.369 390 M HN 0.430 nan 8.290 nan 0.000 0.408 391 L N -1.692 119.699 121.223 0.279 0.000 2.027 391 L HA -0.225 4.614 4.340 0.831 0.000 0.206 391 L C 2.563 179.612 176.870 0.298 0.000 1.074 391 L CA 1.054 56.066 54.840 0.287 0.000 0.745 391 L CB -0.995 41.268 42.059 0.341 0.000 0.898 391 L HN 0.365 nan 8.230 nan 0.000 0.433 392 H N -0.454 118.743 119.070 0.213 0.000 2.457 392 H HA -0.067 4.990 4.556 0.835 0.000 0.294 392 H C 2.050 177.447 175.328 0.116 0.000 1.064 392 H CA 1.914 58.045 56.048 0.138 0.000 1.330 392 H CB 0.264 29.999 29.762 -0.045 0.000 1.395 392 H HN 0.346 nan 8.280 nan 0.000 0.541 393 V N -0.405 119.669 119.914 0.267 0.000 3.649 393 V HA 0.096 4.715 4.120 0.831 0.000 0.275 393 V C 1.465 177.693 176.094 0.224 0.000 1.281 393 V CA 0.913 63.357 62.300 0.240 0.000 1.143 393 V CB 0.106 32.170 31.823 0.402 0.000 0.892 393 V HN 0.278 nan 8.190 nan 0.000 0.441 394 S N -0.854 114.986 115.700 0.233 0.000 2.650 394 S HA 0.501 5.469 4.470 0.831 0.000 0.240 394 S C 1.536 176.225 174.600 0.149 0.000 1.007 394 S CA 0.509 58.826 58.200 0.194 0.000 0.984 394 S CB 0.362 63.707 63.200 0.241 0.000 0.910 394 S HN 1.744 nan 8.310 nan 0.000 0.509 395 G N 1.762 110.664 108.800 0.171 0.000 2.153 395 G HA2 -0.313 4.146 3.960 0.831 0.000 0.252 395 G HA3 -0.313 4.146 3.960 0.831 0.000 0.252 395 G C 0.348 175.291 174.900 0.072 0.000 0.994 395 G CA 0.443 45.650 45.100 0.178 0.000 0.698 395 G HN 0.620 nan 8.290 nan 0.000 0.521 396 N N -1.126 117.632 118.700 0.097 0.000 2.254 396 N HA 0.287 5.525 4.740 0.831 0.000 0.190 396 N C 0.187 175.706 175.510 0.016 0.000 1.107 396 N CA -0.286 52.783 53.050 0.032 0.000 0.869 396 N CB 0.285 38.816 38.487 0.074 0.000 0.983 396 N HN 0.345 nan 8.380 nan 0.000 0.487 397 F N 2.496 122.391 119.950 -0.091 0.000 2.377 397 F HA 0.346 5.374 4.527 0.835 0.000 0.360 397 F C -0.208 175.498 175.800 -0.156 0.000 1.147 397 F CA -0.501 57.424 58.000 -0.125 0.000 1.170 397 F CB 0.039 38.797 39.000 -0.405 0.000 1.339 397 F HN -0.297 nan 8.300 nan 0.000 0.552 398 K N 4.618 124.878 120.400 -0.233 0.000 2.340 398 K HA 0.478 5.297 4.320 0.831 0.000 0.244 398 K C -1.422 175.111 176.600 -0.112 0.000 0.973 398 K CA -0.980 55.040 56.287 -0.446 0.000 0.828 398 K CB 1.995 33.902 32.500 -0.988 0.000 1.226 398 K HN 0.156 nan 8.250 nan 0.000 0.437 399 F N 1.791 121.546 119.950 -0.325 0.000 2.405 399 F HA 0.288 5.314 4.527 0.831 0.000 0.355 399 F C -0.347 175.244 175.800 -0.348 0.000 1.121 399 F CA -1.106 56.639 58.000 -0.425 0.000 1.112 399 F CB 0.353 39.045 39.000 -0.513 0.000 1.126 399 F HN 0.337 nan 8.300 nan 0.000 0.481 400 Y N 2.635 122.922 120.300 -0.022 0.000 2.491 400 Y HA 0.279 5.327 4.550 0.831 0.000 0.334 400 Y C 0.565 176.567 175.900 0.169 0.000 0.969 400 Y CA -0.794 57.313 58.100 0.012 0.000 1.241 400 Y CB 0.375 38.716 38.460 -0.198 0.000 1.105 400 Y HN 0.405 nan 8.280 nan 0.000 0.503 401 N N 2.922 121.823 118.700 0.335 0.000 2.508 401 N HA 0.063 5.301 4.740 0.831 0.000 0.264 401 N C -0.132 175.410 175.510 0.054 0.000 1.216 401 N CA -0.104 53.101 53.050 0.259 0.000 0.943 401 N CB 0.566 39.211 38.487 0.263 0.000 1.113 401 N HN 0.624 nan 8.380 nan 0.000 0.447 402 N N -0.076 118.584 118.700 -0.066 0.000 2.467 402 N HA 0.143 5.382 4.740 0.831 0.000 0.262 402 N C -0.049 175.124 175.510 -0.563 0.000 1.234 402 N CA 0.257 53.093 53.050 -0.357 0.000 0.952 402 N CB 0.774 38.965 38.487 -0.493 0.000 1.158 402 N HN 0.505 nan 8.380 nan 0.000 0.463 403 T N -1.108 113.049 114.554 -0.662 0.000 2.823 403 T HA 0.683 5.532 4.350 0.831 0.000 0.279 403 T C -0.388 173.860 174.700 -0.753 0.000 0.998 403 T CA -0.584 61.209 62.100 -0.512 0.000 0.994 403 T CB 0.468 69.193 68.868 -0.238 0.000 0.960 403 T HN 0.248 nan 8.240 nan 0.000 0.448 404 F N 0.000 119.918 119.950 -0.053 0.000 2.286 404 F HA 0.000 5.026 4.527 0.831 0.000 0.279 404 F CA 0.000 57.965 58.000 -0.059 0.000 1.383 404 F CB 0.000 38.972 39.000 -0.046 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574