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 3mph_1_B DATA FIRST_RESID 28 DATA SEQUENCE RKAGVFSDLS NQELKAVHSF LWSKKELRLQ PSSTTTMAKN TVFLIEMLLP DATA SEQUENCE KKYHVLRFLD KGERHPVREA RAVIFFGDQE HPNVTEFAVG PLPGPCYMRA DATA SEQUENCE LSPRPGYQSS WASRPISTAE YALLYHTLQE ATKPLHQFFL NTTGFSFQDc DATA SEQUENCE HDRcLAFTDV APRGVASGQR RSWLIIQRYV EGYFLHPTGL ELLVDHGSTD DATA SEQUENCE AGHWAVEQVW YNGKFYGSPE ELARKYADGE VDVVVLXXXX XXXXXXXXXX DATA SEQUENCE EPPLFSSHKP RGDFPSPIHV SGPRLVQPHG PRFRLEGNAV LYGGWSFAFR DATA SEQUENCE LRSSSGLQVL NVHFGGERIA YEVSVQEAVA LYGGHTPAGM QTKYLDVGWG DATA SEQUENCE LGSVTHELAP GIDcPETATF LDTFHYYDAD DPVHYPRALc LFEMPTGVPL DATA SEQUENCE RRHFNSNFKG GFNFYAGLKG QVLVLRTTST VYNXDYIWDF IFYPNGVMEA DATA SEQUENCE KMHATGYVHA TFYTPEGLRH GTRLHTHLIG NIHTHLVHYR VDLDVAGTKN DATA SEQUENCE SFQTLQMKLE NITNPWSPRH RVVQPTLEQT QYSWERQAAF RFKRKLPKYL DATA SEQUENCE LFTSPQENPW GHKRSYRLQI HSMADQVLPP GWQEEQAITW ARYPLAVTKY DATA SEQUENCE RESELCSSSI YHQNDPWDPP VVFEQFLHNN ENIENEDLVA WVTVGFLHIP DATA SEQUENCE HSEDIPNTAT PGNSVGFLLR PFNFFPEDPS LASRDTVIVW PRDNGPNYVQ DATA SEQUENCE RWIPEDRDCS MPPPFSYNGT YRPV 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.392 176.300 0.153 0.000 0.893 28 R CA 0.000 56.147 56.100 0.079 0.000 0.921 28 R CB 0.000 30.327 30.300 0.045 0.000 0.687 29 K N 0.076 120.547 120.400 0.118 0.000 2.148 29 K HA 0.367 4.730 4.320 0.072 0.000 0.204 29 K C 2.325 179.030 176.600 0.174 0.000 1.050 29 K CA 2.487 58.868 56.287 0.156 0.000 0.942 29 K CB -0.542 31.903 32.500 -0.091 0.000 0.724 29 K HN 1.953 nan 8.250 nan 0.000 0.446 30 A N 1.102 124.004 122.820 0.137 0.000 2.125 30 A HA 0.173 4.536 4.320 0.072 0.000 0.219 30 A C 2.676 180.351 177.584 0.152 0.000 1.156 30 A CA 1.456 53.619 52.037 0.209 0.000 0.671 30 A CB -1.073 17.998 19.000 0.118 0.000 0.794 30 A HN 0.638 nan 8.150 nan 0.000 0.459 31 G N -0.599 108.266 108.800 0.108 0.000 2.485 31 G HA2 -0.181 3.822 3.960 0.072 0.000 0.221 31 G HA3 -0.181 3.822 3.960 0.072 0.000 0.221 31 G C 1.514 176.449 174.900 0.058 0.000 1.115 31 G CA 1.058 46.209 45.100 0.084 0.000 0.751 31 G HN 0.495 nan 8.290 nan 0.000 0.567 32 V N -0.147 119.752 119.914 -0.024 0.000 2.568 32 V HA -0.091 4.072 4.120 0.072 0.000 0.253 32 V C 2.107 178.032 176.094 -0.282 0.000 1.072 32 V CA 1.617 63.782 62.300 -0.224 0.000 1.084 32 V CB -0.406 31.098 31.823 -0.532 0.000 0.676 32 V HN 0.354 nan 8.190 nan 0.000 0.469 33 F N 0.714 120.684 119.950 0.033 0.000 2.727 33 F HA 0.289 4.859 4.527 0.071 0.000 0.302 33 F C 1.478 177.265 175.800 -0.022 0.000 1.097 33 F CA 0.266 58.266 58.000 -0.001 0.000 1.330 33 F CB -0.555 38.421 39.000 -0.040 0.000 1.084 33 F HN 0.209 nan 8.300 nan 0.000 0.578 34 S N -0.262 115.500 115.700 0.104 0.000 2.584 34 S HA 0.184 4.697 4.470 0.072 0.000 0.273 34 S C -0.052 174.577 174.600 0.049 0.000 1.311 34 S CA -1.077 57.144 58.200 0.035 0.000 1.034 34 S CB 0.995 64.194 63.200 -0.001 0.000 0.939 34 S HN 0.029 nan 8.310 nan 0.000 0.513 35 D N 1.235 121.663 120.400 0.047 0.000 2.361 35 D HA 0.183 4.866 4.640 0.072 0.000 0.239 35 D C 0.396 176.729 176.300 0.053 0.000 1.200 35 D CA -0.095 53.947 54.000 0.069 0.000 0.915 35 D CB 0.395 41.245 40.800 0.084 0.000 1.170 35 D HN 0.521 nan 8.370 nan 0.000 0.444 36 L N 1.087 122.347 121.223 0.061 0.000 2.453 36 L HA 0.043 4.426 4.340 0.072 0.000 0.272 36 L C 1.327 178.211 176.870 0.023 0.000 1.182 36 L CA -0.263 54.597 54.840 0.032 0.000 0.858 36 L CB 0.458 42.538 42.059 0.036 0.000 1.120 36 L HN 0.390 nan 8.230 nan 0.000 0.474 37 S N 1.412 117.096 115.700 -0.025 0.000 2.608 37 S HA 0.014 4.527 4.470 0.072 0.000 0.261 37 S C 0.869 175.338 174.600 -0.218 0.000 1.314 37 S CA -0.389 57.759 58.200 -0.086 0.000 0.992 37 S CB 0.897 64.041 63.200 -0.093 0.000 0.935 37 S HN 0.689 nan 8.310 nan 0.000 0.564 38 N N 1.079 119.461 118.700 -0.530 0.000 2.120 38 N HA -0.132 4.651 4.740 0.072 0.000 0.188 38 N C 2.444 177.747 175.510 -0.345 0.000 1.024 38 N CA 2.246 54.845 53.050 -0.751 0.000 0.852 38 N CB -1.114 36.504 38.487 -1.449 0.000 1.003 38 N HN 0.826 nan 8.380 nan 0.000 0.424 39 Q N 0.715 120.362 119.800 -0.255 0.000 2.061 39 Q HA -0.143 4.240 4.340 0.072 0.000 0.204 39 Q C 2.094 178.027 176.000 -0.113 0.000 0.984 39 Q CA 1.981 57.693 55.803 -0.150 0.000 0.846 39 Q CB -1.101 27.567 28.738 -0.116 0.000 0.902 39 Q HN 0.722 nan 8.270 nan 0.000 0.421 40 E N 0.118 120.254 120.200 -0.107 0.000 2.077 40 E HA -0.071 4.322 4.350 0.072 0.000 0.193 40 E C 2.196 178.756 176.600 -0.068 0.000 0.989 40 E CA 1.079 57.432 56.400 -0.079 0.000 0.800 40 E CB -0.167 29.494 29.700 -0.066 0.000 0.746 40 E HN 0.606 nan 8.360 nan 0.000 0.452 41 L N 0.952 122.130 121.223 -0.076 0.000 2.017 41 L HA -0.212 4.171 4.340 0.072 0.000 0.208 41 L C 2.386 179.210 176.870 -0.077 0.000 1.073 41 L CA 1.334 56.132 54.840 -0.071 0.000 0.745 41 L CB -0.312 41.730 42.059 -0.027 0.000 0.894 41 L HN 0.020 nan 8.230 nan 0.000 0.432 42 K N -0.036 120.325 120.400 -0.064 0.000 2.103 42 K HA -0.193 4.170 4.320 0.072 0.000 0.207 42 K C 2.202 178.810 176.600 0.013 0.000 1.048 42 K CA 1.453 57.728 56.287 -0.019 0.000 0.930 42 K CB -0.303 32.173 32.500 -0.041 0.000 0.716 42 K HN 0.323 nan 8.250 nan 0.000 0.444 43 A N 0.838 123.650 122.820 -0.014 0.000 1.898 43 A HA -0.108 4.255 4.320 0.072 0.000 0.216 43 A C 2.358 179.968 177.584 0.042 0.000 1.181 43 A CA 1.322 53.359 52.037 -0.000 0.000 0.620 43 A CB -0.540 18.435 19.000 -0.042 0.000 0.819 43 A HN 0.071 nan 8.150 nan 0.000 0.442 44 V N -0.469 119.458 119.914 0.022 0.000 2.358 44 V HA -0.260 3.903 4.120 0.072 0.000 0.246 44 V C 2.461 178.644 176.094 0.148 0.000 1.047 44 V CA 2.105 64.444 62.300 0.064 0.000 1.035 44 V CB -0.988 30.839 31.823 0.007 0.000 0.658 44 V HN 0.773 nan 8.190 nan 0.000 0.452 45 H N -0.439 118.606 119.070 -0.041 0.000 2.321 45 H HA -0.169 4.427 4.556 0.066 0.000 0.300 45 H C 2.658 178.056 175.328 0.116 0.000 1.087 45 H CA 1.840 57.875 56.048 -0.021 0.000 1.319 45 H CB 0.137 29.797 29.762 -0.172 0.000 1.379 45 H HN 0.445 nan 8.280 nan 0.000 0.501 46 S N -0.036 115.703 115.700 0.065 0.000 2.359 46 S HA -0.202 4.312 4.470 0.072 0.000 0.224 46 S C 2.081 176.743 174.600 0.104 0.000 1.035 46 S CA 1.423 59.644 58.200 0.036 0.000 1.018 46 S CB -0.746 62.479 63.200 0.042 0.000 0.876 46 S HN 0.475 nan 8.310 nan 0.000 0.448 47 F N 2.123 122.071 119.950 -0.004 0.000 2.091 47 F HA -0.082 4.491 4.527 0.077 0.000 0.299 47 F C 1.824 177.620 175.800 -0.007 0.000 1.103 47 F CA 1.761 59.753 58.000 -0.013 0.000 1.228 47 F CB -0.579 38.397 39.000 -0.041 0.000 0.984 47 F HN 0.218 nan 8.300 nan 0.000 0.477 48 L N -1.638 119.521 121.223 -0.106 0.000 2.046 48 L HA -0.219 4.164 4.340 0.072 0.000 0.208 48 L C 2.300 179.043 176.870 -0.211 0.000 1.077 48 L CA 1.369 56.068 54.840 -0.234 0.000 0.747 48 L CB -0.957 41.075 42.059 -0.045 0.000 0.896 48 L HN 0.244 nan 8.230 nan 0.000 0.432 49 W N 0.417 121.544 121.300 -0.289 0.000 2.402 49 W HA -0.177 4.507 4.660 0.040 0.000 0.286 49 W C 2.998 179.402 176.519 -0.191 0.000 1.221 49 W CA 1.650 58.848 57.345 -0.245 0.000 1.257 49 W CB -0.408 28.881 29.460 -0.285 0.000 1.120 49 W HN 0.224 nan 8.180 nan 0.000 0.551 50 S N -0.257 115.439 115.700 -0.006 0.000 2.555 50 S HA -0.033 4.480 4.470 0.072 0.000 0.230 50 S C 0.725 175.240 174.600 -0.142 0.000 0.978 50 S CA 0.418 58.585 58.200 -0.054 0.000 0.934 50 S CB -0.422 62.745 63.200 -0.053 0.000 0.766 50 S HN 0.119 nan 8.310 nan 0.000 0.533 51 K N 1.643 121.902 120.400 -0.236 0.000 2.183 51 K HA 0.315 4.678 4.320 0.072 0.000 0.272 51 K C 1.204 177.699 176.600 -0.176 0.000 1.113 51 K CA 0.151 56.301 56.287 -0.229 0.000 0.949 51 K CB 0.837 33.149 32.500 -0.313 0.000 1.365 51 K HN 0.370 nan 8.250 nan 0.000 0.420 52 K N 2.769 123.095 120.400 -0.123 0.000 2.283 52 K HA -0.149 4.214 4.320 0.072 0.000 0.202 52 K C 1.581 178.120 176.600 -0.101 0.000 1.048 52 K CA 1.554 57.776 56.287 -0.108 0.000 0.948 52 K CB -0.441 32.021 32.500 -0.064 0.000 0.742 52 K HN 0.698 nan 8.250 nan 0.000 0.458 53 E N 0.858 121.006 120.200 -0.086 0.000 2.409 53 E HA -0.112 4.281 4.350 0.072 0.000 0.198 53 E C 1.650 178.223 176.600 -0.046 0.000 1.024 53 E CA 0.822 57.184 56.400 -0.063 0.000 0.861 53 E CB -0.356 29.311 29.700 -0.055 0.000 0.788 53 E HN 0.619 nan 8.360 nan 0.000 0.521 54 L N 0.108 121.290 121.223 -0.067 0.000 2.395 54 L HA 0.130 4.513 4.340 0.072 0.000 0.218 54 L C 0.908 177.753 176.870 -0.041 0.000 1.130 54 L CA 0.299 55.141 54.840 0.004 0.000 0.826 54 L CB -0.324 41.689 42.059 -0.076 0.000 0.941 54 L HN 0.017 nan 8.230 nan 0.000 0.451 55 R N 0.088 120.508 120.500 -0.134 0.000 3.525 55 R HA -0.160 4.223 4.340 0.072 0.000 0.276 55 R C -0.264 175.888 176.300 -0.247 0.000 1.116 55 R CA 0.133 56.143 56.100 -0.149 0.000 0.745 55 R CB -2.319 27.948 30.300 -0.055 0.000 1.185 55 R HN 0.284 nan 8.270 nan 0.000 0.454 56 L N 1.224 122.157 121.223 -0.484 0.000 2.453 56 L HA 0.033 4.416 4.340 0.072 0.000 0.272 56 L C 1.005 177.443 176.870 -0.721 0.000 1.182 56 L CA 0.877 55.309 54.840 -0.679 0.000 0.858 56 L CB 0.491 41.838 42.059 -1.188 0.000 1.120 56 L HN 0.213 nan 8.230 nan 0.000 0.474 57 Q N 3.404 123.051 119.800 -0.256 0.000 2.496 57 Q HA 0.494 4.877 4.340 0.072 0.000 0.286 57 Q C -2.492 173.718 176.000 0.349 0.000 1.103 57 Q CA -2.090 53.751 55.803 0.064 0.000 0.813 57 Q CB 2.039 30.826 28.738 0.081 0.000 1.444 57 Q HN 0.334 nan 8.270 nan 0.000 0.443 58 P HA -0.050 nan 4.420 nan 0.000 0.271 58 P C 0.456 177.904 177.300 0.246 0.000 1.218 58 P CA 0.102 63.432 63.100 0.383 0.000 0.780 58 P CB 0.751 32.617 31.700 0.277 0.000 0.901 59 S N 1.460 117.282 115.700 0.202 0.000 2.392 59 S HA -0.229 4.284 4.470 0.072 0.000 0.232 59 S C 1.721 176.401 174.600 0.134 0.000 1.041 59 S CA 2.011 60.289 58.200 0.130 0.000 1.026 59 S CB -1.664 61.551 63.200 0.025 0.000 0.845 59 S HN 0.541 nan 8.310 nan 0.000 0.465 60 S N 0.523 116.297 115.700 0.123 0.000 2.515 60 S HA 0.053 4.567 4.470 0.072 0.000 0.231 60 S C 0.765 175.432 174.600 0.113 0.000 0.987 60 S CA 0.425 58.691 58.200 0.111 0.000 0.936 60 S CB -1.124 62.129 63.200 0.088 0.000 0.766 60 S HN 0.506 nan 8.310 nan 0.000 0.528 61 T N 3.935 118.565 114.554 0.127 0.000 2.888 61 T HA 0.216 4.609 4.350 0.072 0.000 0.301 61 T C 0.914 175.676 174.700 0.103 0.000 1.001 61 T CA 0.596 62.762 62.100 0.110 0.000 1.147 61 T CB 0.907 69.847 68.868 0.120 0.000 0.931 61 T HN 0.547 nan 8.240 nan 0.000 0.541 62 T N 0.433 115.030 114.554 0.072 0.000 3.624 62 T HA 0.292 4.685 4.350 0.072 0.000 0.231 62 T C 0.360 175.081 174.700 0.035 0.000 0.865 62 T CA -0.620 61.514 62.100 0.057 0.000 0.926 62 T CB -0.481 68.398 68.868 0.020 0.000 1.189 62 T HN 0.561 nan 8.240 nan 0.000 0.640 63 T N 0.600 115.195 114.554 0.069 0.000 2.956 63 T HA 0.449 4.842 4.350 0.072 0.000 0.312 63 T C 0.824 175.608 174.700 0.140 0.000 1.151 63 T CA -0.892 61.242 62.100 0.057 0.000 1.024 63 T CB 1.226 70.111 68.868 0.029 0.000 1.140 63 T HN 0.053 nan 8.240 nan 0.000 0.473 64 M N 2.349 122.053 119.600 0.173 0.000 2.447 64 M HA 0.242 4.765 4.480 0.072 0.000 0.264 64 M C 1.597 178.079 176.300 0.303 0.000 1.095 64 M CA 0.486 55.976 55.300 0.316 0.000 1.125 64 M CB -1.032 31.822 32.600 0.424 0.000 1.389 64 M HN 0.722 nan 8.290 nan 0.000 0.459 65 A N 2.906 125.820 122.820 0.157 0.000 3.074 65 A HA 0.211 4.574 4.320 0.072 0.000 0.251 65 A C 0.385 178.018 177.584 0.083 0.000 1.695 65 A CA -0.165 51.921 52.037 0.082 0.000 1.343 65 A CB -1.014 17.994 19.000 0.013 0.000 1.078 65 A HN 0.514 nan 8.150 nan 0.000 0.644 66 K N -0.747 119.742 120.400 0.148 0.000 2.512 66 K HA 0.535 4.898 4.320 0.072 0.000 0.263 66 K C -1.514 175.194 176.600 0.180 0.000 0.966 66 K CA -1.074 55.294 56.287 0.135 0.000 0.851 66 K CB 1.032 33.618 32.500 0.143 0.000 1.395 66 K HN 0.039 nan 8.250 nan 0.000 0.440 67 N N 1.316 120.086 118.700 0.116 0.000 2.426 67 N HA 0.396 5.179 4.740 0.072 0.000 0.275 67 N C -1.234 174.298 175.510 0.037 0.000 1.019 67 N CA -0.260 52.844 53.050 0.089 0.000 0.941 67 N CB 1.775 40.304 38.487 0.071 0.000 1.123 67 N HN 0.768 nan 8.380 nan 0.000 0.486 68 T N -2.657 111.936 114.554 0.064 0.000 2.923 68 T HA 0.393 4.786 4.350 0.072 0.000 0.311 68 T C -0.630 174.108 174.700 0.063 0.000 1.183 68 T CA -0.836 61.316 62.100 0.087 0.000 1.020 68 T CB 0.729 69.688 68.868 0.152 0.000 1.165 68 T HN 0.011 nan 8.240 nan 0.000 0.482 69 V N 3.881 123.899 119.914 0.172 0.000 2.405 69 V HA 0.257 4.420 4.120 0.072 0.000 0.264 69 V C 0.768 177.002 176.094 0.234 0.000 1.048 69 V CA -0.341 62.102 62.300 0.238 0.000 0.966 69 V CB -0.292 31.758 31.823 0.378 0.000 1.015 69 V HN 0.916 nan 8.190 nan 0.000 0.477 70 F N 5.760 125.600 119.950 -0.183 0.000 2.270 70 F HA 0.348 4.913 4.527 0.063 0.000 0.295 70 F C 0.399 176.042 175.800 -0.261 0.000 1.087 70 F CA 0.649 58.348 58.000 -0.501 0.000 1.365 70 F CB 0.535 38.806 39.000 -1.213 0.000 1.056 70 F HN 0.390 nan 8.300 nan 0.000 0.506 71 L N 0.945 122.204 121.223 0.061 0.000 2.482 71 L HA 0.555 4.938 4.340 0.072 0.000 0.263 71 L C -1.651 175.407 176.870 0.313 0.000 0.957 71 L CA -0.712 54.213 54.840 0.141 0.000 0.836 71 L CB 1.893 44.046 42.059 0.157 0.000 1.324 71 L HN -0.037 nan 8.230 nan 0.000 0.406 72 I N 4.372 125.163 120.570 0.369 0.000 2.466 72 I HA 0.609 4.822 4.170 0.072 0.000 0.289 72 I C -0.876 175.367 176.117 0.209 0.000 1.026 72 I CA -0.348 61.074 61.300 0.203 0.000 1.078 72 I CB 2.029 40.022 38.000 -0.010 0.000 1.249 72 I HN 0.787 nan 8.210 nan 0.000 0.429 73 E N 6.216 126.522 120.200 0.177 0.000 2.430 73 E HA 0.397 4.790 4.350 0.072 0.000 0.279 73 E C -1.103 175.578 176.600 0.134 0.000 1.003 73 E CA -1.075 55.424 56.400 0.165 0.000 0.801 73 E CB 2.044 31.854 29.700 0.183 0.000 1.313 73 E HN 0.368 nan 8.360 nan 0.000 0.459 74 M N 2.383 122.054 119.600 0.119 0.000 2.252 74 M HA 0.115 4.638 4.480 0.072 0.000 0.348 74 M C -1.169 175.205 176.300 0.124 0.000 1.334 74 M CA -0.204 55.158 55.300 0.103 0.000 1.071 74 M CB 0.296 32.951 32.600 0.092 0.000 1.763 74 M HN 0.692 nan 8.290 nan 0.000 0.452 75 L N 7.383 128.679 121.223 0.121 0.000 2.262 75 L HA 0.355 4.738 4.340 0.072 0.000 0.288 75 L C -0.917 176.037 176.870 0.140 0.000 1.035 75 L CA -0.506 54.419 54.840 0.141 0.000 0.820 75 L CB 0.800 42.949 42.059 0.150 0.000 1.204 75 L HN 0.731 nan 8.230 nan 0.000 0.424 76 L N 8.261 129.581 121.223 0.161 0.000 2.525 76 L HA 0.302 4.685 4.340 0.072 0.000 0.278 76 L C -1.877 175.098 176.870 0.176 0.000 1.218 76 L CA -0.409 54.538 54.840 0.177 0.000 0.878 76 L CB -0.267 41.933 42.059 0.235 0.000 1.127 76 L HN 0.568 nan 8.230 nan 0.000 0.492 77 P HA 0.103 nan 4.420 nan 0.000 0.273 77 P C -1.111 176.324 177.300 0.225 0.000 1.250 77 P CA -0.408 62.794 63.100 0.168 0.000 0.793 77 P CB 0.297 32.064 31.700 0.112 0.000 1.011 78 K N 0.987 121.537 120.400 0.251 0.000 2.448 78 K HA -0.043 4.320 4.320 0.072 0.000 0.278 78 K C 1.353 178.069 176.600 0.194 0.000 1.009 78 K CA 0.134 56.562 56.287 0.235 0.000 0.995 78 K CB 0.356 32.985 32.500 0.216 0.000 0.917 78 K HN 0.399 nan 8.250 nan 0.000 0.481 79 K N 2.478 122.967 120.400 0.149 0.000 2.103 79 K HA -0.259 4.104 4.320 0.072 0.000 0.207 79 K C 1.859 178.404 176.600 -0.091 0.000 1.048 79 K CA 1.520 57.769 56.287 -0.063 0.000 0.930 79 K CB -0.157 32.080 32.500 -0.438 0.000 0.716 79 K HN 0.611 nan 8.250 nan 0.000 0.444 80 Y N 1.125 121.313 120.300 -0.186 0.000 2.114 80 Y HA -0.337 4.256 4.550 0.071 0.000 0.282 80 Y C 2.126 177.942 175.900 -0.141 0.000 1.165 80 Y CA 2.174 60.143 58.100 -0.218 0.000 1.148 80 Y CB -0.338 37.941 38.460 -0.302 0.000 0.972 80 Y HN 0.267 nan 8.280 nan 0.000 0.504 81 H N -1.367 117.675 119.070 -0.046 0.000 2.428 81 H HA -0.052 4.547 4.556 0.072 0.000 0.296 81 H C 2.539 177.834 175.328 -0.055 0.000 1.062 81 H CA 1.530 57.513 56.048 -0.109 0.000 1.350 81 H CB -0.594 29.185 29.762 0.028 0.000 1.403 81 H HN 0.345 nan 8.280 nan 0.000 0.533 82 V N 1.287 121.276 119.914 0.126 0.000 2.307 82 V HA -0.202 3.961 4.120 0.072 0.000 0.245 82 V C 2.762 178.953 176.094 0.162 0.000 1.045 82 V CA 1.228 63.620 62.300 0.153 0.000 1.024 82 V CB -0.583 31.387 31.823 0.243 0.000 0.651 82 V HN 0.253 nan 8.190 nan 0.000 0.449 83 L N -0.697 120.567 121.223 0.068 0.000 2.141 83 L HA -0.144 4.239 4.340 0.072 0.000 0.209 83 L C 2.751 179.604 176.870 -0.028 0.000 1.094 83 L CA 1.385 56.243 54.840 0.031 0.000 0.763 83 L CB -0.512 41.514 42.059 -0.054 0.000 0.908 83 L HN 0.252 nan 8.230 nan 0.000 0.437 84 R N -0.755 119.688 120.500 -0.095 0.000 2.075 84 R HA -0.187 4.197 4.340 0.072 0.000 0.232 84 R C 2.226 178.535 176.300 0.016 0.000 1.126 84 R CA 1.584 57.629 56.100 -0.092 0.000 0.963 84 R CB -0.375 29.808 30.300 -0.195 0.000 0.858 84 R HN 0.197 nan 8.270 nan 0.000 0.435 85 F N 1.165 121.057 119.950 -0.095 0.000 2.113 85 F HA -0.108 4.463 4.527 0.073 0.000 0.297 85 F C 1.652 177.403 175.800 -0.081 0.000 1.103 85 F CA 1.422 59.360 58.000 -0.104 0.000 1.248 85 F CB -0.225 38.671 39.000 -0.174 0.000 0.999 85 F HN -0.111 nan 8.300 nan 0.000 0.475 86 L N -0.269 120.811 121.223 -0.238 0.000 2.044 86 L HA -0.127 4.256 4.340 0.072 0.000 0.205 86 L C 1.778 178.540 176.870 -0.180 0.000 1.075 86 L CA 1.460 56.122 54.840 -0.297 0.000 0.747 86 L CB -0.598 41.453 42.059 -0.014 0.000 0.903 86 L HN 0.058 nan 8.230 nan 0.000 0.435 87 D N -0.755 119.597 120.400 -0.080 0.000 2.380 87 D HA -0.004 4.679 4.640 0.072 0.000 0.212 87 D C 1.395 177.665 176.300 -0.050 0.000 1.021 87 D CA 0.751 54.728 54.000 -0.039 0.000 0.884 87 D CB 0.342 41.144 40.800 0.003 0.000 1.001 87 D HN 0.147 nan 8.370 nan 0.000 0.506 88 K N -0.227 120.138 120.400 -0.059 0.000 2.438 88 K HA 0.318 4.681 4.320 0.072 0.000 0.205 88 K C 0.559 177.135 176.600 -0.039 0.000 1.033 88 K CA 0.046 56.308 56.287 -0.042 0.000 1.089 88 K CB 1.601 34.080 32.500 -0.035 0.000 0.857 88 K HN 0.023 nan 8.250 nan 0.000 0.522 89 G N 2.187 110.945 108.800 -0.070 0.000 2.273 89 G HA2 -0.282 3.721 3.960 0.072 0.000 0.280 89 G HA3 -0.282 3.721 3.960 0.072 0.000 0.280 89 G C -0.205 174.704 174.900 0.014 0.000 1.047 89 G CA 0.481 45.548 45.100 -0.055 0.000 0.869 89 G HN 0.346 nan 8.290 nan 0.000 0.502 90 E N -0.525 119.708 120.200 0.056 0.000 2.700 90 E HA 0.715 5.108 4.350 0.072 0.000 0.253 90 E C 1.096 177.816 176.600 0.200 0.000 1.175 90 E CA -0.445 56.014 56.400 0.098 0.000 1.010 90 E CB 0.531 30.268 29.700 0.062 0.000 1.284 90 E HN 0.592 nan 8.360 nan 0.000 0.557 91 R N 0.862 121.437 120.500 0.126 0.000 2.623 91 R HA -0.014 4.369 4.340 0.072 0.000 0.271 91 R C -0.098 176.221 176.300 0.031 0.000 1.043 91 R CA 0.417 56.573 56.100 0.094 0.000 1.083 91 R CB -0.940 29.371 30.300 0.018 0.000 0.974 91 R HN 0.609 nan 8.270 nan 0.000 0.436 92 H N 2.842 121.774 119.070 -0.231 0.000 3.094 92 H HA 0.130 4.729 4.556 0.072 0.000 0.320 92 H C -1.765 173.272 175.328 -0.484 0.000 1.000 92 H CA -0.267 55.290 56.048 -0.819 0.000 1.413 92 H CB 0.702 30.095 29.762 -0.616 0.000 1.405 92 H HN 0.579 nan 8.280 nan 0.000 0.586 93 P HA -0.041 nan 4.420 nan 0.000 0.270 93 P C -0.649 176.608 177.300 -0.071 0.000 1.223 93 P CA -0.334 62.665 63.100 -0.168 0.000 0.785 93 P CB 0.616 32.237 31.700 -0.131 0.000 0.923 94 V N 2.723 122.597 119.914 -0.066 0.000 2.585 94 V HA 0.030 4.193 4.120 0.072 0.000 0.296 94 V C 1.087 177.182 176.094 0.002 0.000 1.035 94 V CA 0.288 62.573 62.300 -0.024 0.000 1.084 94 V CB -0.218 31.614 31.823 0.015 0.000 0.953 94 V HN 0.457 nan 8.190 nan 0.000 0.483 95 R N 3.998 124.486 120.500 -0.020 0.000 2.368 95 R HA 0.534 4.917 4.340 0.072 0.000 0.302 95 R C -0.363 175.930 176.300 -0.011 0.000 1.002 95 R CA -0.338 55.752 56.100 -0.017 0.000 0.929 95 R CB 0.940 31.205 30.300 -0.058 0.000 1.073 95 R HN 0.862 nan 8.270 nan 0.000 0.464 96 E N 1.415 121.626 120.200 0.018 0.000 2.429 96 E HA 0.548 4.941 4.350 0.072 0.000 0.276 96 E C -1.554 175.065 176.600 0.033 0.000 0.953 96 E CA -1.204 55.206 56.400 0.016 0.000 0.787 96 E CB 2.150 31.907 29.700 0.094 0.000 1.307 96 E HN 0.639 nan 8.360 nan 0.000 0.458 97 A N 1.375 124.212 122.820 0.028 0.000 2.350 97 A HA 0.531 4.894 4.320 0.072 0.000 0.324 97 A C -0.582 177.078 177.584 0.126 0.000 1.118 97 A CA -0.606 51.472 52.037 0.069 0.000 0.783 97 A CB 1.120 20.145 19.000 0.041 0.000 1.236 97 A HN 0.548 nan 8.150 nan 0.000 0.457 98 R N 1.757 122.351 120.500 0.157 0.000 2.340 98 R HA 0.553 4.936 4.340 0.072 0.000 0.300 98 R C -0.575 175.858 176.300 0.221 0.000 1.069 98 R CA 0.152 56.373 56.100 0.202 0.000 0.984 98 R CB 0.692 31.113 30.300 0.202 0.000 1.003 98 R HN 0.829 nan 8.270 nan 0.000 0.459 99 A N 4.911 127.899 122.820 0.279 0.000 2.332 99 A HA 0.399 4.762 4.320 0.072 0.000 0.300 99 A C -1.005 176.801 177.584 0.370 0.000 1.153 99 A CA -0.698 51.518 52.037 0.298 0.000 0.764 99 A CB 1.647 20.818 19.000 0.285 0.000 1.174 99 A HN 0.504 nan 8.150 nan 0.000 0.467 100 V N 4.501 124.619 119.914 0.339 0.000 2.364 100 V HA 0.340 4.503 4.120 0.072 0.000 0.272 100 V C -0.099 176.201 176.094 0.343 0.000 1.036 100 V CA -0.016 62.513 62.300 0.381 0.000 0.880 100 V CB 0.801 32.876 31.823 0.418 0.000 0.991 100 V HN 0.723 nan 8.190 nan 0.000 0.460 101 I N 5.182 125.960 120.570 0.347 0.000 2.378 101 I HA 0.405 4.618 4.170 0.072 0.000 0.291 101 I C -0.755 175.501 176.117 0.231 0.000 0.992 101 I CA -0.469 60.907 61.300 0.126 0.000 1.154 101 I CB 1.611 39.514 38.000 -0.162 0.000 1.315 101 I HN 0.369 nan 8.210 nan 0.000 0.448 102 F N 6.073 126.021 119.950 -0.003 0.000 2.413 102 F HA 0.282 4.848 4.527 0.064 0.000 0.359 102 F C 0.077 175.945 175.800 0.114 0.000 1.122 102 F CA -0.836 57.287 58.000 0.205 0.000 1.160 102 F CB -0.018 39.114 39.000 0.220 0.000 1.146 102 F HN 0.242 nan 8.300 nan 0.000 0.514 103 F N 2.082 122.325 119.950 0.489 0.000 2.425 103 F HA 0.314 4.882 4.527 0.069 0.000 0.354 103 F C 1.343 177.039 175.800 -0.173 0.000 1.162 103 F CA -0.250 57.851 58.000 0.170 0.000 1.250 103 F CB 0.651 39.716 39.000 0.109 0.000 1.579 103 F HN 0.626 nan 8.300 nan 0.000 0.589 104 G N 0.151 108.952 108.800 0.002 0.000 2.986 104 G HA2 -0.095 3.908 3.960 0.072 0.000 0.213 104 G HA3 -0.095 3.908 3.960 0.072 0.000 0.213 104 G C 0.263 175.059 174.900 -0.173 0.000 1.156 104 G CA -0.011 44.852 45.100 -0.397 0.000 0.763 104 G HN 0.381 nan 8.290 nan 0.000 0.547 105 D N 0.809 121.197 120.400 -0.020 0.000 2.973 105 D HA 0.271 4.954 4.640 0.072 0.000 0.263 105 D C 0.399 176.677 176.300 -0.037 0.000 1.266 105 D CA -0.328 53.663 54.000 -0.015 0.000 0.975 105 D CB -0.364 40.454 40.800 0.031 0.000 1.032 105 D HN 0.546 nan 8.370 nan 0.000 0.510 106 Q N -0.786 118.949 119.800 -0.108 0.000 2.756 106 Q HA 0.202 4.585 4.340 0.072 0.000 0.295 106 Q C 0.262 176.146 176.000 -0.193 0.000 0.903 106 Q CA -0.845 54.886 55.803 -0.121 0.000 0.768 106 Q CB 0.740 29.420 28.738 -0.097 0.000 1.472 106 Q HN -0.046 nan 8.270 nan 0.000 0.416 107 E N 0.073 120.144 120.200 -0.215 0.000 2.085 107 E HA -0.156 4.237 4.350 0.072 0.000 0.194 107 E C -0.175 176.071 176.600 -0.590 0.000 0.994 107 E CA 1.195 57.363 56.400 -0.387 0.000 0.801 107 E CB 0.226 29.674 29.700 -0.420 0.000 0.743 107 E HN 0.479 nan 8.360 nan 0.000 0.453 108 H N 0.381 119.361 119.070 -0.150 0.000 2.645 108 H HA 0.301 4.901 4.556 0.074 0.000 0.257 108 H C -2.397 172.791 175.328 -0.234 0.000 1.269 108 H CA -2.268 53.678 56.048 -0.169 0.000 1.409 108 H CB 0.891 30.580 29.762 -0.120 0.000 1.434 108 H HN 0.129 nan 8.280 nan 0.000 0.505 109 P HA -0.053 nan 4.420 nan 0.000 0.266 109 P C 0.180 177.304 177.300 -0.294 0.000 1.193 109 P CA 0.349 63.052 63.100 -0.661 0.000 0.770 109 P CB 0.776 31.478 31.700 -1.664 0.000 0.836 110 N N 0.066 118.748 118.700 -0.031 0.000 3.020 110 N HA 0.443 5.226 4.740 0.072 0.000 0.248 110 N C -1.934 173.886 175.510 0.517 0.000 1.480 110 N CA -0.885 52.340 53.050 0.292 0.000 0.874 110 N CB 0.718 39.301 38.487 0.160 0.000 1.433 110 N HN -0.011 nan 8.380 nan 0.000 0.530 111 V N -0.072 120.067 119.914 0.374 0.000 2.459 111 V HA 0.717 4.880 4.120 0.072 0.000 0.295 111 V C -0.455 175.817 176.094 0.297 0.000 1.029 111 V CA -0.306 62.207 62.300 0.354 0.000 0.874 111 V CB 1.188 33.147 31.823 0.225 0.000 0.985 111 V HN 0.834 nan 8.190 nan 0.000 0.438 112 T N 4.031 118.813 114.554 0.379 0.000 2.886 112 T HA 0.490 4.883 4.350 0.072 0.000 0.292 112 T C -0.735 174.011 174.700 0.076 0.000 1.012 112 T CA -0.672 61.540 62.100 0.186 0.000 0.982 112 T CB 1.846 70.879 68.868 0.274 0.000 1.018 112 T HN 0.712 nan 8.240 nan 0.000 0.451 113 E N 1.472 121.586 120.200 -0.143 0.000 2.202 113 E HA 0.651 5.044 4.350 0.072 0.000 0.272 113 E C -1.242 175.122 176.600 -0.392 0.000 0.951 113 E CA -0.683 55.693 56.400 -0.039 0.000 0.813 113 E CB 1.690 31.467 29.700 0.128 0.000 1.151 113 E HN 0.409 nan 8.360 nan 0.000 0.398 114 F N 0.117 120.205 119.950 0.230 0.000 2.599 114 F HA 0.484 5.054 4.527 0.071 0.000 0.311 114 F C -0.146 175.774 175.800 0.200 0.000 1.076 114 F CA -1.092 57.039 58.000 0.218 0.000 0.937 114 F CB 1.616 40.753 39.000 0.228 0.000 1.282 114 F HN 0.414 nan 8.300 nan 0.000 0.460 115 A N 1.909 124.961 122.820 0.387 0.000 2.269 115 A HA 0.681 5.044 4.320 0.072 0.000 0.302 115 A C -0.974 176.775 177.584 0.274 0.000 1.266 115 A CA -0.513 51.706 52.037 0.302 0.000 0.894 115 A CB 0.238 19.417 19.000 0.298 0.000 1.147 115 A HN 0.548 nan 8.150 nan 0.000 0.537 116 V N 2.922 122.905 119.914 0.114 0.000 2.370 116 V HA 0.787 4.950 4.120 0.072 0.000 0.283 116 V C 0.749 176.610 176.094 -0.387 0.000 1.023 116 V CA 0.598 62.832 62.300 -0.110 0.000 0.857 116 V CB 1.075 32.896 31.823 -0.004 0.000 0.985 116 V HN 1.298 nan 8.190 nan 0.000 0.443 117 G N 5.927 114.133 108.800 -0.989 0.000 2.606 117 G HA2 0.673 4.676 3.960 0.072 0.000 0.300 117 G HA3 0.673 4.676 3.960 0.072 0.000 0.300 117 G C -3.412 170.806 174.900 -1.136 0.000 1.360 117 G CA -0.869 43.683 45.100 -0.912 0.000 0.783 117 G HN 0.470 nan 8.290 nan 0.000 0.484 118 P HA 0.557 nan 4.420 nan 0.000 0.278 118 P C -0.825 176.344 177.300 -0.219 0.000 1.266 118 P CA -0.505 62.476 63.100 -0.197 0.000 0.807 118 P CB 1.618 33.300 31.700 -0.031 0.000 1.094 119 L N 1.322 122.454 121.223 -0.152 0.000 2.333 119 L HA 0.467 4.850 4.340 0.072 0.000 0.280 119 L C -1.862 174.931 176.870 -0.128 0.000 1.004 119 L CA -2.113 52.642 54.840 -0.141 0.000 0.820 119 L CB 1.619 43.608 42.059 -0.118 0.000 1.247 119 L HN 0.288 nan 8.230 nan 0.000 0.416 120 P HA 0.259 nan 4.420 nan 0.000 0.276 120 P C 0.245 177.472 177.300 -0.122 0.000 1.252 120 P CA -0.051 62.981 63.100 -0.114 0.000 0.802 120 P CB 1.062 32.705 31.700 -0.094 0.000 1.035 121 G N 0.485 109.209 108.800 -0.126 0.000 2.452 121 G HA2 -0.092 3.911 3.960 0.072 0.000 0.275 121 G HA3 -0.092 3.911 3.960 0.072 0.000 0.275 121 G C -2.446 172.326 174.900 -0.213 0.000 1.131 121 G CA -0.653 44.370 45.100 -0.128 0.000 1.031 121 G HN 0.545 nan 8.290 nan 0.000 0.511 122 P HA 0.351 nan 4.420 nan 0.000 0.268 122 P C 1.040 177.892 177.300 -0.746 0.000 1.205 122 P CA 0.514 63.227 63.100 -0.645 0.000 0.771 122 P CB 1.121 32.324 31.700 -0.828 0.000 0.858 123 C N 0.296 119.180 119.300 -0.692 0.000 4.095 123 C HA 0.393 4.896 4.460 0.072 0.000 0.327 123 C C 0.015 175.021 174.990 0.027 0.000 1.811 123 C CA -0.607 58.252 59.018 -0.264 0.000 1.785 123 C CB -1.464 26.273 27.740 -0.005 0.000 3.120 123 C HN 0.596 nan 8.230 nan 0.000 0.621 124 Y N -0.908 119.317 120.300 -0.124 0.000 2.633 124 Y HA 0.850 5.444 4.550 0.073 0.000 0.339 124 Y C -0.565 175.435 175.900 0.166 0.000 1.045 124 Y CA -2.174 55.985 58.100 0.098 0.000 1.098 124 Y CB 1.138 39.635 38.460 0.062 0.000 1.296 124 Y HN 0.085 nan 8.280 nan 0.000 0.494 125 M N 2.530 122.411 119.600 0.468 0.000 2.197 125 M HA 0.630 5.153 4.480 0.072 0.000 0.226 125 M C -1.450 175.127 176.300 0.461 0.000 0.970 125 M CA -0.321 55.205 55.300 0.376 0.000 1.036 125 M CB 0.899 33.628 32.600 0.216 0.000 2.437 125 M HN 1.112 nan 8.290 nan 0.000 0.432 126 R N 2.876 123.701 120.500 0.542 0.000 2.229 126 R HA 0.871 5.254 4.340 0.072 0.000 0.332 126 R C -0.021 176.547 176.300 0.447 0.000 0.989 126 R CA 0.109 56.472 56.100 0.438 0.000 0.842 126 R CB 0.793 31.277 30.300 0.307 0.000 1.119 126 R HN 0.895 nan 8.270 nan 0.000 0.456 127 A N 2.863 125.913 122.820 0.384 0.000 2.546 127 A HA 0.495 4.858 4.320 0.072 0.000 0.243 127 A C 0.263 177.851 177.584 0.005 0.000 1.063 127 A CA 0.031 52.089 52.037 0.034 0.000 0.757 127 A CB -0.025 18.994 19.000 0.031 0.000 0.991 127 A HN 0.803 nan 8.150 nan 0.000 0.503 128 L N 1.350 122.522 121.223 -0.085 0.000 2.365 128 L HA 0.615 4.998 4.340 0.072 0.000 0.267 128 L C 1.541 178.410 176.870 -0.001 0.000 1.033 128 L CA -0.011 54.836 54.840 0.011 0.000 0.802 128 L CB 0.828 42.922 42.059 0.058 0.000 1.267 128 L HN 1.073 nan 8.230 nan 0.000 0.457 129 S N 0.859 116.581 115.700 0.037 0.000 3.268 129 S HA -0.133 4.380 4.470 0.072 0.000 0.347 129 S C -1.367 173.240 174.600 0.011 0.000 0.925 129 S CA -0.210 58.012 58.200 0.036 0.000 1.286 129 S CB -2.097 61.139 63.200 0.060 0.000 0.890 129 S HN 0.434 nan 8.310 nan 0.000 0.495 130 P HA 0.309 nan 4.420 nan 0.000 0.268 130 P C -0.106 177.201 177.300 0.011 0.000 1.208 130 P CA 0.007 63.111 63.100 0.007 0.000 0.777 130 P CB 0.376 32.083 31.700 0.012 0.000 0.875 131 R N 1.705 122.218 120.500 0.022 0.000 2.734 131 R HA 0.307 4.690 4.340 0.072 0.000 0.268 131 R C -2.489 173.845 176.300 0.058 0.000 1.785 131 R CA -1.544 54.573 56.100 0.029 0.000 1.461 131 R CB 0.466 30.773 30.300 0.012 0.000 1.308 131 R HN 0.335 nan 8.270 nan 0.000 0.586 132 P HA 0.068 nan 4.420 nan 0.000 0.262 132 P C 0.665 177.990 177.300 0.041 0.000 1.182 132 P CA 1.174 64.291 63.100 0.027 0.000 0.761 132 P CB 0.932 32.640 31.700 0.013 0.000 0.795 133 G N 1.907 110.726 108.800 0.032 0.000 2.234 133 G HA2 -0.310 3.693 3.960 0.072 0.000 0.260 133 G HA3 -0.310 3.693 3.960 0.072 0.000 0.260 133 G C -0.020 174.925 174.900 0.073 0.000 0.987 133 G CA -0.114 45.005 45.100 0.032 0.000 0.625 133 G HN 0.608 nan 8.290 nan 0.000 0.532 134 Y N 1.790 122.067 120.300 -0.039 0.000 2.365 134 Y HA 0.537 5.130 4.550 0.071 0.000 0.340 134 Y C 1.436 177.314 175.900 -0.038 0.000 1.016 134 Y CA 0.047 58.123 58.100 -0.039 0.000 1.196 134 Y CB 0.787 39.220 38.460 -0.045 0.000 1.167 134 Y HN 0.221 nan 8.280 nan 0.000 0.509 135 Q N 2.320 121.808 119.800 -0.519 0.000 2.281 135 Q HA 0.113 4.496 4.340 0.072 0.000 0.215 135 Q C 0.680 176.359 176.000 -0.535 0.000 0.867 135 Q CA 0.129 55.683 55.803 -0.415 0.000 0.940 135 Q CB 0.810 29.409 28.738 -0.232 0.000 1.111 135 Q HN 0.574 nan 8.270 nan 0.000 0.513 136 S N 0.444 115.520 115.700 -1.041 0.000 2.582 136 S HA 0.005 4.518 4.470 0.072 0.000 0.234 136 S C 1.624 176.008 174.600 -0.360 0.000 0.961 136 S CA 0.129 57.982 58.200 -0.579 0.000 0.953 136 S CB 0.341 63.326 63.200 -0.359 0.000 0.800 136 S HN 0.397 nan 8.310 nan 0.000 0.471 137 S N 0.931 116.434 115.700 -0.328 0.000 2.399 137 S HA -0.142 4.371 4.470 0.072 0.000 0.231 137 S C 1.540 176.166 174.600 0.043 0.000 1.022 137 S CA 0.312 58.527 58.200 0.025 0.000 0.983 137 S CB -0.580 62.659 63.200 0.066 0.000 0.803 137 S HN 0.815 nan 8.310 nan 0.000 0.480 138 W N 2.098 123.308 121.300 -0.150 0.000 2.379 138 W HA -0.011 4.684 4.660 0.058 0.000 0.307 138 W C 2.586 179.002 176.519 -0.172 0.000 1.200 138 W CA 1.104 58.349 57.345 -0.168 0.000 1.297 138 W CB -0.433 28.956 29.460 -0.120 0.000 1.140 138 W HN 0.474 nan 8.180 nan 0.000 0.507 139 A N 0.470 123.249 122.820 -0.068 0.000 2.019 139 A HA -0.239 4.124 4.320 0.072 0.000 0.219 139 A C 1.978 179.472 177.584 -0.149 0.000 1.164 139 A CA 2.290 54.239 52.037 -0.146 0.000 0.644 139 A CB -1.164 17.802 19.000 -0.057 0.000 0.805 139 A HN 0.372 nan 8.150 nan 0.000 0.449 140 S N 0.321 115.984 115.700 -0.063 0.000 2.481 140 S HA -0.076 4.437 4.470 0.072 0.000 0.231 140 S C 1.175 175.762 174.600 -0.021 0.000 0.996 140 S CA 0.226 58.452 58.200 0.044 0.000 0.942 140 S CB -0.497 62.825 63.200 0.203 0.000 0.768 140 S HN 0.751 nan 8.310 nan 0.000 0.520 141 R N 1.364 121.712 120.500 -0.254 0.000 2.694 141 R HA 0.368 4.751 4.340 0.072 0.000 0.268 141 R C -2.987 173.069 176.300 -0.407 0.000 1.061 141 R CA -1.430 54.419 56.100 -0.418 0.000 1.133 141 R CB -0.847 28.775 30.300 -1.129 0.000 1.020 141 R HN 0.071 nan 8.270 nan 0.000 0.475 142 P HA 0.012 nan 4.420 nan 0.000 0.269 142 P C -0.070 177.053 177.300 -0.295 0.000 1.215 142 P CA -0.191 62.725 63.100 -0.307 0.000 0.780 142 P CB 0.477 32.108 31.700 -0.115 0.000 0.898 143 I N 1.437 121.825 120.570 -0.303 0.000 2.836 143 I HA 0.123 4.336 4.170 0.072 0.000 0.285 143 I C 0.393 176.498 176.117 -0.020 0.000 1.174 143 I CA 0.696 61.844 61.300 -0.252 0.000 1.405 143 I CB 0.515 38.243 38.000 -0.453 0.000 1.385 143 I HN 0.451 nan 8.210 nan 0.000 0.594 144 S N 2.940 118.664 115.700 0.040 0.000 2.671 144 S HA 0.377 4.891 4.470 0.072 0.000 0.299 144 S C 0.592 175.356 174.600 0.274 0.000 1.116 144 S CA -0.423 57.934 58.200 0.261 0.000 0.912 144 S CB 1.610 65.002 63.200 0.319 0.000 1.130 144 S HN 0.655 nan 8.310 nan 0.000 0.501 145 T N 1.615 116.377 114.554 0.347 0.000 2.720 145 T HA -0.083 4.310 4.350 0.072 0.000 0.268 145 T C 2.142 177.027 174.700 0.308 0.000 1.037 145 T CA 1.910 64.235 62.100 0.375 0.000 1.144 145 T CB -0.951 68.079 68.868 0.271 0.000 0.864 145 T HN 0.855 nan 8.240 nan 0.000 0.444 146 A N 1.177 124.140 122.820 0.240 0.000 1.940 146 A HA -0.161 4.202 4.320 0.072 0.000 0.219 146 A C 2.198 179.929 177.584 0.244 0.000 1.176 146 A CA 1.990 54.154 52.037 0.213 0.000 0.631 146 A CB -0.612 18.502 19.000 0.190 0.000 0.814 146 A HN 0.619 nan 8.150 nan 0.000 0.446 147 E N -1.597 118.746 120.200 0.239 0.000 2.072 147 E HA -0.203 4.190 4.350 0.072 0.000 0.191 147 E C 1.728 178.488 176.600 0.268 0.000 0.985 147 E CA 1.181 57.736 56.400 0.258 0.000 0.801 147 E CB -0.242 29.529 29.700 0.119 0.000 0.750 147 E HN 0.689 nan 8.360 nan 0.000 0.452 148 Y N 0.364 120.838 120.300 0.290 0.000 2.128 148 Y HA -0.204 4.388 4.550 0.071 0.000 0.284 148 Y C 2.332 178.439 175.900 0.345 0.000 1.154 148 Y CA 1.278 59.573 58.100 0.326 0.000 1.149 148 Y CB -0.863 37.749 38.460 0.254 0.000 0.976 148 Y HN 0.158 nan 8.280 nan 0.000 0.505 149 A N -0.148 122.922 122.820 0.417 0.000 1.940 149 A HA -0.177 4.186 4.320 0.072 0.000 0.219 149 A C 2.292 180.076 177.584 0.334 0.000 1.176 149 A CA 1.780 53.999 52.037 0.304 0.000 0.631 149 A CB -1.119 17.993 19.000 0.187 0.000 0.814 149 A HN 0.486 nan 8.150 nan 0.000 0.446 150 L N -0.932 120.483 121.223 0.320 0.000 2.109 150 L HA -0.108 4.275 4.340 0.072 0.000 0.207 150 L C 2.522 179.658 176.870 0.442 0.000 1.086 150 L CA 0.693 55.699 54.840 0.276 0.000 0.760 150 L CB -0.439 41.684 42.059 0.107 0.000 0.910 150 L HN 0.361 nan 8.230 nan 0.000 0.437 151 L N -1.583 119.964 121.223 0.541 0.000 2.046 151 L HA -0.266 4.117 4.340 0.072 0.000 0.208 151 L C 2.604 179.640 176.870 0.276 0.000 1.077 151 L CA 1.402 56.463 54.840 0.368 0.000 0.747 151 L CB -0.538 41.635 42.059 0.191 0.000 0.896 151 L HN 0.185 nan 8.230 nan 0.000 0.432 152 Y N -0.072 120.441 120.300 0.353 0.000 2.165 152 Y HA -0.374 4.219 4.550 0.071 0.000 0.286 152 Y C 2.857 178.827 175.900 0.117 0.000 1.155 152 Y CA 2.227 60.504 58.100 0.293 0.000 1.164 152 Y CB -0.196 38.451 38.460 0.312 0.000 0.978 152 Y HN 0.244 nan 8.280 nan 0.000 0.513 153 H N -0.980 118.232 119.070 0.237 0.000 2.353 153 H HA -0.117 4.486 4.556 0.077 0.000 0.300 153 H C 2.104 177.434 175.328 0.004 0.000 1.090 153 H CA 2.329 58.440 56.048 0.106 0.000 1.327 153 H CB -0.444 29.374 29.762 0.093 0.000 1.383 153 H HN 0.258 nan 8.280 nan 0.000 0.508 154 T N 1.094 115.634 114.554 -0.022 0.000 2.684 154 T HA -0.156 4.237 4.350 0.072 0.000 0.267 154 T C 2.249 176.824 174.700 -0.210 0.000 1.036 154 T CA 1.468 63.517 62.100 -0.085 0.000 1.148 154 T CB -0.393 68.566 68.868 0.151 0.000 0.863 154 T HN 0.248 nan 8.240 nan 0.000 0.436 155 L N 0.614 121.666 121.223 -0.285 0.000 2.017 155 L HA -0.179 4.204 4.340 0.072 0.000 0.208 155 L C 2.933 179.435 176.870 -0.614 0.000 1.073 155 L CA 1.582 56.126 54.840 -0.493 0.000 0.745 155 L CB -0.549 41.065 42.059 -0.741 0.000 0.894 155 L HN 0.389 nan 8.230 nan 0.000 0.432 156 Q N -0.650 118.779 119.800 -0.618 0.000 2.096 156 Q HA -0.225 4.158 4.340 0.072 0.000 0.204 156 Q C 2.152 178.013 176.000 -0.231 0.000 0.982 156 Q CA 1.457 57.004 55.803 -0.426 0.000 0.850 156 Q CB 0.032 28.661 28.738 -0.181 0.000 0.901 156 Q HN 0.445 nan 8.270 nan 0.000 0.422 157 E N 0.171 120.200 120.200 -0.284 0.000 2.046 157 E HA -0.103 4.290 4.350 0.072 0.000 0.190 157 E C 1.944 178.463 176.600 -0.135 0.000 0.982 157 E CA 1.084 57.355 56.400 -0.214 0.000 0.800 157 E CB -0.225 29.287 29.700 -0.313 0.000 0.756 157 E HN 0.322 nan 8.360 nan 0.000 0.449 158 A N 1.224 123.956 122.820 -0.147 0.000 2.015 158 A HA -0.111 4.252 4.320 0.072 0.000 0.219 158 A C 2.212 179.762 177.584 -0.057 0.000 1.163 158 A CA 1.988 53.972 52.037 -0.090 0.000 0.646 158 A CB -0.615 18.334 19.000 -0.086 0.000 0.806 158 A HN 0.332 nan 8.150 nan 0.000 0.448 159 T N -3.502 111.029 114.554 -0.039 0.000 3.122 159 T HA 0.212 4.605 4.350 0.072 0.000 0.250 159 T C 1.329 176.083 174.700 0.090 0.000 1.067 159 T CA 0.378 62.521 62.100 0.072 0.000 0.966 159 T CB 0.014 69.073 68.868 0.319 0.000 1.002 159 T HN 0.435 nan 8.240 nan 0.000 0.542 160 K N 1.703 122.130 120.400 0.046 0.000 2.074 160 K HA -0.063 4.300 4.320 0.072 0.000 0.209 160 K C -0.772 175.843 176.600 0.025 0.000 1.048 160 K CA 1.662 57.980 56.287 0.052 0.000 0.926 160 K CB -0.993 31.508 32.500 0.002 0.000 0.713 160 K HN 0.358 nan 8.250 nan 0.000 0.444 161 P HA -0.121 nan 4.420 nan 0.000 0.222 161 P C 0.649 177.880 177.300 -0.115 0.000 1.147 161 P CA 1.069 64.136 63.100 -0.055 0.000 0.790 161 P CB 0.125 31.780 31.700 -0.075 0.000 0.780 162 L N -2.591 118.493 121.223 -0.231 0.000 2.611 162 L HA 0.079 4.462 4.340 0.072 0.000 0.229 162 L C 2.143 178.686 176.870 -0.546 0.000 1.137 162 L CA 0.038 54.559 54.840 -0.530 0.000 0.901 162 L CB -0.688 40.796 42.059 -0.960 0.000 1.098 162 L HN 0.029 nan 8.230 nan 0.000 0.456 163 H N 1.098 120.048 119.070 -0.200 0.000 2.319 163 H HA -0.239 4.360 4.556 0.072 0.000 0.299 163 H C 2.330 177.682 175.328 0.041 0.000 1.092 163 H CA 2.674 58.740 56.048 0.031 0.000 1.302 163 H CB 0.292 30.110 29.762 0.093 0.000 1.373 163 H HN 0.375 nan 8.280 nan 0.000 0.497 164 Q N 0.211 120.025 119.800 0.023 0.000 2.079 164 Q HA -0.115 4.268 4.340 0.072 0.000 0.200 164 Q C 2.408 178.385 176.000 -0.039 0.000 0.974 164 Q CA 1.470 57.283 55.803 0.016 0.000 0.840 164 Q CB -1.421 27.392 28.738 0.125 0.000 0.898 164 Q HN 0.704 nan 8.270 nan 0.000 0.430 165 F N 0.453 120.220 119.950 -0.304 0.000 2.120 165 F HA -0.143 4.427 4.527 0.071 0.000 0.300 165 F C 1.853 177.403 175.800 -0.417 0.000 1.095 165 F CA 1.834 59.437 58.000 -0.662 0.000 1.249 165 F CB -0.186 38.278 39.000 -0.895 0.000 0.995 165 F HN 0.262 nan 8.300 nan 0.000 0.480 166 F N 0.502 120.309 119.950 -0.238 0.000 2.102 166 F HA -0.144 4.426 4.527 0.071 0.000 0.298 166 F C 2.281 177.905 175.800 -0.293 0.000 1.105 166 F CA 1.155 58.984 58.000 -0.284 0.000 1.239 166 F CB -1.403 37.518 39.000 -0.131 0.000 0.991 166 F HN -0.015 nan 8.300 nan 0.000 0.474 167 L N -0.337 120.836 121.223 -0.083 0.000 2.046 167 L HA -0.233 4.150 4.340 0.072 0.000 0.208 167 L C 2.205 179.027 176.870 -0.079 0.000 1.077 167 L CA 1.182 55.967 54.840 -0.092 0.000 0.747 167 L CB -0.679 41.301 42.059 -0.132 0.000 0.896 167 L HN 0.102 nan 8.230 nan 0.000 0.432 168 N N -0.531 118.098 118.700 -0.119 0.000 2.142 168 N HA -0.138 4.645 4.740 0.072 0.000 0.186 168 N C 1.932 177.353 175.510 -0.147 0.000 1.023 168 N CA 1.975 54.974 53.050 -0.085 0.000 0.852 168 N CB -0.570 37.918 38.487 0.002 0.000 0.998 168 N HN 0.430 nan 8.380 nan 0.000 0.424 169 T N -3.203 111.153 114.554 -0.331 0.000 3.014 169 T HA 0.016 4.409 4.350 0.072 0.000 0.263 169 T C 1.721 176.311 174.700 -0.183 0.000 1.078 169 T CA 1.519 63.417 62.100 -0.337 0.000 1.135 169 T CB -0.234 68.209 68.868 -0.708 0.000 0.895 169 T HN 0.338 nan 8.240 nan 0.000 0.480 170 T N -3.587 110.887 114.554 -0.134 0.000 2.993 170 T HA 0.489 4.883 4.350 0.072 0.000 0.260 170 T C 1.877 176.628 174.700 0.085 0.000 0.939 170 T CA 0.729 62.785 62.100 -0.072 0.000 0.886 170 T CB -0.114 68.674 68.868 -0.133 0.000 1.209 170 T HN 0.890 nan 8.240 nan 0.000 0.518 171 G N 1.192 110.054 108.800 0.104 0.000 2.168 171 G HA2 -0.202 3.801 3.960 0.072 0.000 0.263 171 G HA3 -0.202 3.801 3.960 0.072 0.000 0.263 171 G C -0.172 174.888 174.900 0.267 0.000 0.977 171 G CA 0.493 45.699 45.100 0.176 0.000 0.659 171 G HN 0.547 nan 8.290 nan 0.000 0.533 172 F N 0.328 120.208 119.950 -0.117 0.000 2.654 172 F HA 0.846 5.416 4.527 0.071 0.000 0.334 172 F C 0.655 176.329 175.800 -0.209 0.000 1.078 172 F CA -0.651 57.255 58.000 -0.156 0.000 0.986 172 F CB 2.192 41.072 39.000 -0.199 0.000 1.362 172 F HN 0.583 nan 8.300 nan 0.000 0.498 173 S N -0.785 114.861 115.700 -0.089 0.000 2.661 173 S HA 0.481 4.994 4.470 0.072 0.000 0.268 173 S C -0.703 173.750 174.600 -0.245 0.000 1.162 173 S CA -0.628 57.488 58.200 -0.141 0.000 0.817 173 S CB 0.782 64.014 63.200 0.055 0.000 1.141 173 S HN 0.254 nan 8.310 nan 0.000 0.477 174 F N 0.973 120.986 119.950 0.105 0.000 2.749 174 F HA 0.420 4.991 4.527 0.073 0.000 0.300 174 F C 1.140 177.010 175.800 0.117 0.000 1.103 174 F CA 0.035 58.080 58.000 0.075 0.000 1.342 174 F CB 0.274 39.277 39.000 0.004 0.000 1.098 174 F HN 0.430 nan 8.300 nan 0.000 0.586 175 Q N 0.378 120.368 119.800 0.316 0.000 2.340 175 Q HA 0.190 4.573 4.340 0.072 0.000 0.268 175 Q C -0.758 175.307 176.000 0.109 0.000 1.031 175 Q CA -0.717 55.191 55.803 0.176 0.000 0.804 175 Q CB 1.661 30.442 28.738 0.072 0.000 1.286 175 Q HN 0.139 nan 8.270 nan 0.000 0.448 176 D N 1.196 121.581 120.400 -0.024 0.000 2.697 176 D HA -0.191 4.492 4.640 0.072 0.000 0.235 176 D C 0.702 176.894 176.300 -0.180 0.000 1.167 176 D CA 0.914 54.839 54.000 -0.124 0.000 0.656 176 D CB -1.099 39.738 40.800 0.062 0.000 1.025 176 D HN 0.775 nan 8.370 nan 0.000 0.419 177 c N -2.963 115.447 118.600 -0.317 0.000 2.609 177 c HA 0.101 4.714 4.570 0.072 0.000 0.305 177 c C 1.807 175.793 174.090 -0.175 0.000 1.319 177 c CA 0.474 56.697 56.329 -0.177 0.000 1.793 177 c CB 0.229 42.678 42.510 -0.103 0.000 2.260 177 c HN 0.672 nan 8.230 nan 0.000 0.535 178 H N 2.705 121.759 119.070 -0.026 0.000 1.452 178 H HA -0.228 4.371 4.556 0.072 0.000 0.090 178 H C 0.826 176.116 175.328 -0.064 0.000 0.610 178 H CA 2.567 58.592 56.048 -0.039 0.000 1.901 178 H CB -1.966 27.770 29.762 -0.042 0.000 2.257 178 H HN 0.661 nan 8.280 nan 0.000 0.961 179 D N 2.494 122.913 120.400 0.033 0.000 2.328 179 D HA 0.094 4.777 4.640 0.072 0.000 0.221 179 D C 0.594 176.754 176.300 -0.233 0.000 1.072 179 D CA 0.324 54.288 54.000 -0.060 0.000 0.850 179 D CB 0.040 40.806 40.800 -0.055 0.000 0.922 179 D HN 0.339 nan 8.370 nan 0.000 0.516 180 R N -0.068 120.192 120.500 -0.400 0.000 2.782 180 R HA 0.341 4.724 4.340 0.072 0.000 0.293 180 R C -1.045 174.820 176.300 -0.726 0.000 1.333 180 R CA -0.373 55.053 56.100 -1.122 0.000 1.479 180 R CB 0.562 30.159 30.300 -1.170 0.000 1.306 180 R HN 0.035 nan 8.270 nan 0.000 0.654 181 c N 1.244 119.750 118.600 -0.157 0.000 2.358 181 c HA 0.465 5.078 4.570 0.072 0.000 0.342 181 c C 0.681 174.868 174.090 0.161 0.000 1.234 181 c CA -0.894 55.441 56.329 0.011 0.000 1.969 181 c CB 0.592 43.123 42.510 0.035 0.000 2.346 181 c HN 0.545 nan 8.230 nan 0.000 0.525 182 L N 2.618 123.712 121.223 -0.214 0.000 2.436 182 L HA 0.566 4.949 4.340 0.072 0.000 0.265 182 L C 0.607 177.382 176.870 -0.159 0.000 1.168 182 L CA 0.205 54.791 54.840 -0.422 0.000 0.815 182 L CB 0.283 41.578 42.059 -1.274 0.000 1.109 182 L HN 0.874 nan 8.230 nan 0.000 0.462 183 A N 1.732 124.559 122.820 0.012 0.000 2.524 183 A HA 0.903 5.266 4.320 0.072 0.000 0.286 183 A C -1.243 176.530 177.584 0.316 0.000 1.203 183 A CA -0.444 51.675 52.037 0.136 0.000 0.736 183 A CB 1.749 20.662 19.000 -0.145 0.000 1.322 183 A HN 0.583 nan 8.150 nan 0.000 0.424 184 F N -1.910 118.187 119.950 0.246 0.000 2.613 184 F HA 0.822 5.390 4.527 0.069 0.000 0.314 184 F C -0.631 175.364 175.800 0.325 0.000 1.075 184 F CA -0.661 57.506 58.000 0.278 0.000 0.945 184 F CB 1.615 40.773 39.000 0.265 0.000 1.310 184 F HN 0.345 nan 8.300 nan 0.000 0.467 185 T N 2.380 117.264 114.554 0.550 0.000 2.786 185 T HA 0.303 4.696 4.350 0.072 0.000 0.283 185 T C -1.145 173.901 174.700 0.577 0.000 0.992 185 T CA -0.665 61.720 62.100 0.474 0.000 0.954 185 T CB 0.788 69.978 68.868 0.536 0.000 0.934 185 T HN 0.704 nan 8.240 nan 0.000 0.440 186 D N 2.304 123.057 120.400 0.589 0.000 2.304 186 D HA 0.380 5.063 4.640 0.072 0.000 0.247 186 D C 0.520 177.118 176.300 0.496 0.000 1.089 186 D CA -0.546 53.794 54.000 0.566 0.000 0.910 186 D CB 1.229 42.403 40.800 0.623 0.000 1.199 186 D HN 0.365 nan 8.370 nan 0.000 0.426 187 V N -2.343 117.814 119.914 0.405 0.000 3.096 187 V HA 0.956 5.119 4.120 0.072 0.000 0.319 187 V C -0.453 175.795 176.094 0.258 0.000 1.103 187 V CA -0.854 61.593 62.300 0.246 0.000 1.016 187 V CB 1.054 32.919 31.823 0.069 0.000 1.090 187 V HN 1.052 nan 8.190 nan 0.000 0.449 188 A N 2.374 125.251 122.820 0.096 0.000 2.572 188 A HA 0.957 5.320 4.320 0.072 0.000 0.295 188 A C -3.089 174.507 177.584 0.019 0.000 1.072 188 A CA -1.687 50.454 52.037 0.174 0.000 0.691 188 A CB 1.760 20.992 19.000 0.387 0.000 1.291 188 A HN 0.784 nan 8.150 nan 0.000 0.404 189 P HA 0.303 nan 4.420 nan 0.000 0.274 189 P C -0.855 176.553 177.300 0.179 0.000 1.260 189 P CA -0.114 63.018 63.100 0.054 0.000 0.793 189 P CB 0.474 32.066 31.700 -0.179 0.000 1.048 190 R N 0.263 120.900 120.500 0.229 0.000 2.724 190 R HA 0.629 5.012 4.340 0.072 0.000 0.284 190 R C 0.378 176.780 176.300 0.171 0.000 1.481 190 R CA -0.335 55.870 56.100 0.175 0.000 1.652 190 R CB 0.477 30.822 30.300 0.075 0.000 1.175 190 R HN 0.875 nan 8.270 nan 0.000 0.613 191 G N -0.356 108.577 108.800 0.223 0.000 2.293 191 G HA2 -0.111 3.892 3.960 0.072 0.000 0.282 191 G HA3 -0.111 3.892 3.960 0.072 0.000 0.282 191 G C -0.206 174.767 174.900 0.122 0.000 1.299 191 G CA -0.304 44.849 45.100 0.089 0.000 1.018 191 G HN 0.315 nan 8.290 nan 0.000 0.478 192 V N -3.439 116.342 119.914 -0.221 0.000 3.398 192 V HA 0.810 4.973 4.120 0.072 0.000 0.298 192 V C 0.543 176.034 176.094 -1.005 0.000 1.496 192 V CA 1.183 63.297 62.300 -0.310 0.000 1.044 192 V CB 0.007 31.743 31.823 -0.145 0.000 0.880 192 V HN 2.560 nan 8.190 nan 0.000 0.443 193 A N -0.466 121.432 122.820 -1.537 0.000 2.608 193 A HA 0.692 5.055 4.320 0.072 0.000 0.292 193 A C -0.251 176.658 177.584 -1.126 0.000 1.066 193 A CA 0.133 51.249 52.037 -1.535 0.000 0.676 193 A CB 0.981 19.560 19.000 -0.701 0.000 1.277 193 A HN 0.631 nan 8.150 nan 0.000 0.413 194 S N -0.159 115.227 115.700 -0.523 0.000 2.626 194 S HA 0.395 4.908 4.470 0.072 0.000 0.303 194 S C 1.478 176.023 174.600 -0.092 0.000 1.256 194 S CA 2.082 60.282 58.200 0.001 0.000 1.069 194 S CB -0.274 62.994 63.200 0.114 0.000 0.807 194 S HN 2.646 nan 8.310 nan 0.000 0.500 195 G N 3.747 112.531 108.800 -0.026 0.000 2.218 195 G HA2 -0.176 3.827 3.960 0.072 0.000 0.216 195 G HA3 -0.176 3.827 3.960 0.072 0.000 0.216 195 G C -0.074 174.773 174.900 -0.088 0.000 0.994 195 G CA 0.030 45.086 45.100 -0.074 0.000 0.637 195 G HN 0.726 nan 8.290 nan 0.000 0.505 196 Q N -0.254 119.478 119.800 -0.114 0.000 2.260 196 Q HA 0.650 5.033 4.340 0.072 0.000 0.242 196 Q C 0.267 176.194 176.000 -0.122 0.000 0.932 196 Q CA -0.337 55.386 55.803 -0.133 0.000 0.891 196 Q CB 1.234 29.866 28.738 -0.176 0.000 1.222 196 Q HN 0.278 nan 8.270 nan 0.000 0.453 197 R N 1.574 121.943 120.500 -0.218 0.000 2.687 197 R HA 0.241 4.624 4.340 0.072 0.000 0.264 197 R C -1.196 174.813 176.300 -0.485 0.000 1.715 197 R CA -0.184 55.685 56.100 -0.385 0.000 1.633 197 R CB 0.438 30.408 30.300 -0.550 0.000 1.353 197 R HN 0.516 nan 8.270 nan 0.000 0.653 198 R N 1.046 121.402 120.500 -0.239 0.000 2.358 198 R HA 0.348 4.731 4.340 0.072 0.000 0.309 198 R C -0.950 175.302 176.300 -0.079 0.000 1.026 198 R CA -0.501 55.494 56.100 -0.176 0.000 0.909 198 R CB 2.187 32.388 30.300 -0.166 0.000 1.153 198 R HN 0.177 nan 8.270 nan 0.000 0.515 199 S N 1.918 117.622 115.700 0.007 0.000 2.462 199 S HA 0.298 4.811 4.470 0.072 0.000 0.294 199 S C -0.755 173.828 174.600 -0.028 0.000 1.144 199 S CA -0.743 57.510 58.200 0.087 0.000 1.088 199 S CB 0.741 64.067 63.200 0.210 0.000 1.009 199 S HN 0.386 nan 8.310 nan 0.000 0.484 200 W N 3.447 124.805 121.300 0.096 0.000 2.266 200 W HA 0.452 5.156 4.660 0.073 0.000 0.317 200 W C -0.480 176.107 176.519 0.113 0.000 1.310 200 W CA -0.511 56.885 57.345 0.085 0.000 1.207 200 W CB 0.442 29.940 29.460 0.063 0.000 1.199 200 W HN 0.344 nan 8.180 nan 0.000 0.544 201 L N 5.960 127.427 121.223 0.406 0.000 2.333 201 L HA 0.495 4.878 4.340 0.072 0.000 0.280 201 L C -0.319 176.779 176.870 0.379 0.000 1.004 201 L CA -1.048 53.985 54.840 0.322 0.000 0.820 201 L CB 1.240 43.312 42.059 0.022 0.000 1.247 201 L HN 0.260 nan 8.230 nan 0.000 0.416 202 I N 4.487 125.295 120.570 0.397 0.000 2.301 202 I HA 0.214 4.427 4.170 0.072 0.000 0.292 202 I C -0.001 176.337 176.117 0.369 0.000 1.046 202 I CA -0.534 60.964 61.300 0.330 0.000 1.282 202 I CB 1.045 39.209 38.000 0.274 0.000 1.409 202 I HN 0.344 nan 8.210 nan 0.000 0.484 203 I N 6.674 127.436 120.570 0.321 0.000 2.496 203 I HA 0.224 4.437 4.170 0.072 0.000 0.285 203 I C 0.212 176.449 176.117 0.200 0.000 1.080 203 I CA 0.022 61.493 61.300 0.284 0.000 1.404 203 I CB 0.596 38.739 38.000 0.239 0.000 1.403 203 I HN 0.651 nan 8.210 nan 0.000 0.539 204 Q N 4.830 124.729 119.800 0.164 0.000 2.456 204 Q HA 0.508 4.891 4.340 0.072 0.000 0.283 204 Q C -0.792 175.207 176.000 -0.001 0.000 1.084 204 Q CA -0.964 54.918 55.803 0.131 0.000 0.801 204 Q CB 2.600 31.485 28.738 0.245 0.000 1.434 204 Q HN 0.407 nan 8.270 nan 0.000 0.419 205 R N 0.919 121.361 120.500 -0.096 0.000 2.347 205 R HA 0.111 4.494 4.340 0.072 0.000 0.304 205 R C -0.905 175.350 176.300 -0.074 0.000 1.072 205 R CA -0.236 55.665 56.100 -0.332 0.000 0.980 205 R CB 0.366 30.177 30.300 -0.816 0.000 0.986 205 R HN 0.488 nan 8.270 nan 0.000 0.448 206 Y N 5.377 125.644 120.300 -0.055 0.000 2.530 206 Y HA 0.136 4.730 4.550 0.074 0.000 0.340 206 Y C -0.069 175.817 175.900 -0.025 0.000 1.247 206 Y CA -0.425 57.620 58.100 -0.093 0.000 1.727 206 Y CB -0.286 38.093 38.460 -0.135 0.000 1.613 206 Y HN 0.326 nan 8.280 nan 0.000 0.464 207 V N 1.019 120.742 119.914 -0.317 0.000 3.164 207 V HA 0.488 4.651 4.120 0.072 0.000 0.313 207 V C -0.095 175.754 176.094 -0.408 0.000 1.188 207 V CA -1.573 60.511 62.300 -0.359 0.000 1.058 207 V CB 1.503 33.081 31.823 -0.408 0.000 1.110 207 V HN 0.428 nan 8.190 nan 0.000 0.453 208 E N 0.839 120.850 120.200 -0.315 0.000 2.493 208 E HA 0.328 4.721 4.350 0.072 0.000 0.255 208 E C 0.884 177.344 176.600 -0.233 0.000 0.999 208 E CA 0.998 57.258 56.400 -0.233 0.000 0.934 208 E CB -0.138 29.476 29.700 -0.143 0.000 0.940 208 E HN 1.904 nan 8.360 nan 0.000 0.473 209 G N 4.678 113.305 108.800 -0.289 0.000 2.298 209 G HA2 -0.327 3.676 3.960 0.072 0.000 0.287 209 G HA3 -0.327 3.676 3.960 0.072 0.000 0.287 209 G C 0.197 174.788 174.900 -0.516 0.000 1.075 209 G CA 0.556 45.349 45.100 -0.510 0.000 0.960 209 G HN 0.848 nan 8.290 nan 0.000 0.502 210 Y N -2.249 117.678 120.300 -0.623 0.000 2.298 210 Y HA -0.012 4.582 4.550 0.072 0.000 0.287 210 Y C 2.300 178.047 175.900 -0.255 0.000 1.164 210 Y CA 1.422 59.270 58.100 -0.421 0.000 1.229 210 Y CB -0.789 37.410 38.460 -0.434 0.000 0.977 210 Y HN 0.308 nan 8.280 nan 0.000 0.538 211 F N 0.950 120.534 119.950 -0.611 0.000 2.184 211 F HA -0.229 4.341 4.527 0.071 0.000 0.301 211 F C 1.682 177.437 175.800 -0.076 0.000 1.076 211 F CA 1.160 58.953 58.000 -0.345 0.000 1.295 211 F CB -0.515 38.154 39.000 -0.552 0.000 1.026 211 F HN 0.110 nan 8.300 nan 0.000 0.494 212 L N -0.486 120.785 121.223 0.080 0.000 2.685 212 L HA 0.099 4.482 4.340 0.072 0.000 0.233 212 L C 0.107 176.925 176.870 -0.086 0.000 1.173 212 L CA 0.155 55.032 54.840 0.061 0.000 0.961 212 L CB -0.358 41.746 42.059 0.074 0.000 1.217 212 L HN 0.244 nan 8.230 nan 0.000 0.478 213 H N 1.058 120.198 119.070 0.117 0.000 2.471 213 H HA 0.262 4.861 4.556 0.072 0.000 0.234 213 H C -2.342 173.064 175.328 0.131 0.000 1.388 213 H CA -1.522 54.595 56.048 0.116 0.000 1.198 213 H CB 0.648 30.391 29.762 -0.032 0.000 1.714 213 H HN 0.077 nan 8.280 nan 0.000 0.536 214 P HA 0.002 nan 4.420 nan 0.000 0.271 214 P C 1.185 178.663 177.300 0.297 0.000 1.216 214 P CA 0.006 63.277 63.100 0.285 0.000 0.776 214 P CB 1.427 33.334 31.700 0.345 0.000 0.881 215 T N -1.736 112.898 114.554 0.133 0.000 3.065 215 T HA 0.247 4.640 4.350 0.072 0.000 0.252 215 T C 1.331 175.790 174.700 -0.403 0.000 1.099 215 T CA 0.757 62.846 62.100 -0.018 0.000 1.063 215 T CB -0.715 68.135 68.868 -0.029 0.000 0.948 215 T HN 0.640 nan 8.240 nan 0.000 0.506 216 G N 0.687 109.129 108.800 -0.598 0.000 2.194 216 G HA2 -0.169 3.834 3.960 0.072 0.000 0.236 216 G HA3 -0.169 3.834 3.960 0.072 0.000 0.236 216 G C -0.259 174.530 174.900 -0.184 0.000 0.987 216 G CA 0.017 44.386 45.100 -1.218 0.000 0.635 216 G HN 0.711 nan 8.290 nan 0.000 0.520 217 L N 1.592 122.936 121.223 0.202 0.000 2.307 217 L HA 0.810 5.193 4.340 0.072 0.000 0.282 217 L C -0.042 177.068 176.870 0.400 0.000 1.051 217 L CA -0.722 54.369 54.840 0.418 0.000 0.804 217 L CB 1.042 43.363 42.059 0.438 0.000 1.197 217 L HN 0.281 nan 8.230 nan 0.000 0.431 218 E N 5.188 125.686 120.200 0.497 0.000 2.317 218 E HA 0.643 5.036 4.350 0.072 0.000 0.270 218 E C -1.551 175.436 176.600 0.646 0.000 0.885 218 E CA -0.766 55.924 56.400 0.483 0.000 0.760 218 E CB 2.474 32.342 29.700 0.279 0.000 1.227 218 E HN 0.456 nan 8.360 nan 0.000 0.434 219 L N 2.087 123.659 121.223 0.582 0.000 2.408 219 L HA 0.435 4.818 4.340 0.072 0.000 0.268 219 L C -1.263 175.576 176.870 -0.051 0.000 0.986 219 L CA -0.985 54.038 54.840 0.306 0.000 0.820 219 L CB 1.650 43.786 42.059 0.130 0.000 1.303 219 L HN 0.306 nan 8.230 nan 0.000 0.411 220 L N 3.981 124.840 121.223 -0.608 0.000 2.272 220 L HA 0.639 5.022 4.340 0.072 0.000 0.289 220 L C -0.785 175.824 176.870 -0.435 0.000 1.032 220 L CA -0.148 54.114 54.840 -0.963 0.000 0.810 220 L CB 1.514 42.656 42.059 -1.529 0.000 1.205 220 L HN 0.315 nan 8.230 nan 0.000 0.422 221 V N 4.406 124.135 119.914 -0.308 0.000 2.448 221 V HA 0.340 4.503 4.120 0.072 0.000 0.295 221 V C -0.584 175.435 176.094 -0.124 0.000 1.025 221 V CA -0.806 61.385 62.300 -0.183 0.000 0.859 221 V CB 1.626 33.334 31.823 -0.192 0.000 0.988 221 V HN 0.669 nan 8.190 nan 0.000 0.431 222 D N 3.660 123.982 120.400 -0.129 0.000 2.365 222 D HA 0.187 4.870 4.640 0.072 0.000 0.237 222 D C 0.452 176.585 176.300 -0.278 0.000 1.190 222 D CA -0.137 53.761 54.000 -0.169 0.000 0.867 222 D CB 0.484 41.216 40.800 -0.113 0.000 1.050 222 D HN 0.856 nan 8.370 nan 0.000 0.491 223 H N 0.736 119.395 119.070 -0.685 0.000 2.505 223 H HA 0.458 5.056 4.556 0.069 0.000 0.260 223 H C 1.248 176.064 175.328 -0.855 0.000 1.168 223 H CA -0.737 54.368 56.048 -1.572 0.000 0.945 223 H CB 0.735 29.239 29.762 -2.095 0.000 1.800 223 H HN 0.307 nan 8.280 nan 0.000 0.586 224 G N 0.168 108.706 108.800 -0.437 0.000 2.430 224 G HA2 -0.176 3.827 3.960 0.072 0.000 0.216 224 G HA3 -0.176 3.827 3.960 0.072 0.000 0.216 224 G C 0.758 175.762 174.900 0.173 0.000 1.146 224 G CA 0.305 45.314 45.100 -0.152 0.000 0.793 224 G HN 0.460 nan 8.290 nan 0.000 0.537 225 S N 0.271 116.177 115.700 0.344 0.000 2.562 225 S HA 0.230 4.743 4.470 0.072 0.000 0.281 225 S C 1.996 176.910 174.600 0.524 0.000 1.333 225 S CA 0.541 59.002 58.200 0.436 0.000 1.052 225 S CB 0.958 64.460 63.200 0.503 0.000 0.884 225 S HN 0.420 nan 8.310 nan 0.000 0.506 226 T N 0.771 115.519 114.554 0.323 0.000 3.072 226 T HA -0.012 4.381 4.350 0.072 0.000 0.266 226 T C 0.367 175.118 174.700 0.085 0.000 1.127 226 T CA 0.591 62.849 62.100 0.265 0.000 1.107 226 T CB -0.221 68.718 68.868 0.118 0.000 0.910 226 T HN 0.539 nan 8.240 nan 0.000 0.513 227 D N 1.017 121.395 120.400 -0.036 0.000 2.396 227 D HA 0.578 5.261 4.640 0.072 0.000 0.225 227 D C 1.076 177.073 176.300 -0.504 0.000 1.121 227 D CA -0.310 53.499 54.000 -0.319 0.000 0.853 227 D CB 1.114 41.546 40.800 -0.613 0.000 1.043 227 D HN 0.183 nan 8.370 nan 0.000 0.500 228 A N 3.166 125.522 122.820 -0.773 0.000 2.125 228 A HA 0.006 4.369 4.320 0.072 0.000 0.219 228 A C 2.035 179.145 177.584 -0.790 0.000 1.156 228 A CA 1.391 52.475 52.037 -1.588 0.000 0.671 228 A CB -0.458 17.606 19.000 -1.559 0.000 0.794 228 A HN 0.618 nan 8.150 nan 0.000 0.459 229 G N -0.863 107.667 108.800 -0.450 0.000 2.450 229 G HA2 -0.250 3.753 3.960 0.072 0.000 0.220 229 G HA3 -0.250 3.753 3.960 0.072 0.000 0.220 229 G C 1.269 176.151 174.900 -0.029 0.000 1.130 229 G CA 1.157 46.133 45.100 -0.205 0.000 0.760 229 G HN 0.837 nan 8.290 nan 0.000 0.557 230 H N -1.972 117.071 119.070 -0.044 0.000 2.547 230 H HA 0.047 4.649 4.556 0.078 0.000 0.272 230 H C 0.435 175.906 175.328 0.238 0.000 0.989 230 H CA -0.627 55.473 56.048 0.087 0.000 1.214 230 H CB 0.205 30.039 29.762 0.120 0.000 1.389 230 H HN 0.258 nan 8.280 nan 0.000 0.577 231 W N 1.508 122.884 121.300 0.125 0.000 2.181 231 W HA 0.419 5.124 4.660 0.076 0.000 0.335 231 W C 0.153 176.690 176.519 0.030 0.000 1.310 231 W CA -1.012 56.379 57.345 0.077 0.000 1.226 231 W CB -0.034 29.469 29.460 0.072 0.000 1.155 231 W HN -0.027 nan 8.180 nan 0.000 0.565 232 A N 2.201 125.147 122.820 0.210 0.000 2.486 232 A HA 0.634 4.997 4.320 0.072 0.000 0.300 232 A C -1.280 176.309 177.584 0.008 0.000 1.048 232 A CA -0.823 51.265 52.037 0.085 0.000 0.696 232 A CB 1.129 20.164 19.000 0.057 0.000 1.278 232 A HN 0.267 nan 8.150 nan 0.000 0.405 233 V N 2.790 122.695 119.914 -0.016 0.000 2.446 233 V HA 0.076 4.239 4.120 0.072 0.000 0.276 233 V C 1.140 177.206 176.094 -0.046 0.000 1.030 233 V CA 1.047 63.316 62.300 -0.053 0.000 1.033 233 V CB 0.127 31.929 31.823 -0.036 0.000 0.993 233 V HN 1.074 nan 8.190 nan 0.000 0.477 234 E N 3.377 123.524 120.200 -0.088 0.000 2.431 234 E HA 0.209 4.602 4.350 0.072 0.000 0.200 234 E C 0.534 177.117 176.600 -0.028 0.000 0.995 234 E CA -0.204 56.158 56.400 -0.064 0.000 0.915 234 E CB 0.693 30.338 29.700 -0.091 0.000 0.930 234 E HN 0.572 nan 8.360 nan 0.000 0.496 235 Q N 0.482 120.261 119.800 -0.036 0.000 2.426 235 Q HA 0.426 4.809 4.340 0.072 0.000 0.278 235 Q C -2.137 173.998 176.000 0.226 0.000 1.007 235 Q CA -0.731 55.146 55.803 0.124 0.000 0.850 235 Q CB 2.609 31.442 28.738 0.160 0.000 1.427 235 Q HN 0.051 nan 8.270 nan 0.000 0.391 236 V N 2.434 122.607 119.914 0.431 0.000 2.709 236 V HA 0.679 4.842 4.120 0.072 0.000 0.308 236 V C -1.451 175.019 176.094 0.627 0.000 1.062 236 V CA -0.706 61.881 62.300 0.479 0.000 0.901 236 V CB 1.945 33.938 31.823 0.284 0.000 1.003 236 V HN 0.857 nan 8.190 nan 0.000 0.425 237 W N 5.481 126.989 121.300 0.346 0.000 2.739 237 W HA 0.730 5.433 4.660 0.071 0.000 0.331 237 W C -1.924 174.685 176.519 0.150 0.000 1.049 237 W CA -0.736 56.627 57.345 0.029 0.000 1.234 237 W CB 1.632 30.869 29.460 -0.372 0.000 1.404 237 W HN 0.591 nan 8.180 nan 0.000 0.477 238 Y N 6.996 126.988 120.300 -0.514 0.000 2.396 238 Y HA 0.237 4.830 4.550 0.071 0.000 0.332 238 Y C 0.224 175.603 175.900 -0.868 0.000 1.034 238 Y CA -1.319 56.467 58.100 -0.524 0.000 1.057 238 Y CB 1.070 39.389 38.460 -0.236 0.000 1.220 238 Y HN 0.631 nan 8.280 nan 0.000 0.440 239 N N 4.171 121.820 118.700 -1.752 0.000 2.699 239 N HA -0.197 4.586 4.740 0.072 0.000 0.256 239 N C 0.770 175.791 175.510 -0.815 0.000 0.993 239 N CA 2.238 54.618 53.050 -1.117 0.000 0.759 239 N CB -1.057 36.841 38.487 -0.981 0.000 0.906 239 N HN 1.624 nan 8.380 nan 0.000 0.541 240 G N -1.567 106.460 108.800 -1.289 0.000 2.175 240 G HA2 -0.280 3.723 3.960 0.072 0.000 0.244 240 G HA3 -0.280 3.723 3.960 0.072 0.000 0.244 240 G C -0.226 174.390 174.900 -0.474 0.000 0.982 240 G CA 0.644 45.464 45.100 -0.466 0.000 0.641 240 G HN 0.549 nan 8.290 nan 0.000 0.527 241 K N -0.224 119.704 120.400 -0.786 0.000 2.371 241 K HA 0.649 5.012 4.320 0.072 0.000 0.251 241 K C -0.766 175.444 176.600 -0.649 0.000 0.934 241 K CA -0.824 55.152 56.287 -0.518 0.000 0.798 241 K CB 1.704 33.925 32.500 -0.464 0.000 1.204 241 K HN 0.038 nan 8.250 nan 0.000 0.427 242 F N 0.747 120.556 119.950 -0.235 0.000 2.375 242 F HA 0.208 4.778 4.527 0.071 0.000 0.333 242 F C 1.063 176.657 175.800 -0.342 0.000 1.104 242 F CA -0.007 57.965 58.000 -0.047 0.000 1.149 242 F CB 0.541 39.614 39.000 0.121 0.000 1.190 242 F HN 0.537 nan 8.300 nan 0.000 0.533 243 Y N -0.161 120.304 120.300 0.276 0.000 2.448 243 Y HA 0.275 4.868 4.550 0.071 0.000 0.257 243 Y C 1.611 177.583 175.900 0.120 0.000 1.089 243 Y CA 0.288 58.470 58.100 0.137 0.000 1.245 243 Y CB 0.838 39.325 38.460 0.045 0.000 1.282 243 Y HN 0.779 nan 8.280 nan 0.000 0.529 244 G N 0.751 109.719 108.800 0.280 0.000 2.550 244 G HA2 -0.306 3.697 3.960 0.072 0.000 0.233 244 G HA3 -0.306 3.697 3.960 0.072 0.000 0.233 244 G C 0.361 175.337 174.900 0.127 0.000 1.170 244 G CA 0.507 45.709 45.100 0.169 0.000 0.693 244 G HN 0.782 nan 8.290 nan 0.000 0.512 245 S N -0.931 114.842 115.700 0.121 0.000 2.565 245 S HA 0.711 5.224 4.470 0.072 0.000 0.269 245 S C -2.293 172.314 174.600 0.013 0.000 1.153 245 S CA -0.211 58.024 58.200 0.057 0.000 0.835 245 S CB 2.106 65.324 63.200 0.029 0.000 1.122 245 S HN 0.003 nan 8.310 nan 0.000 0.462 246 P HA -0.017 nan 4.420 nan 0.000 0.216 246 P C 0.918 178.136 177.300 -0.137 0.000 1.150 246 P CA 1.305 64.344 63.100 -0.102 0.000 0.837 246 P CB 0.031 31.686 31.700 -0.076 0.000 0.786 247 E N -0.412 119.742 120.200 -0.077 0.000 2.077 247 E HA -0.200 4.193 4.350 0.072 0.000 0.193 247 E C 2.035 178.596 176.600 -0.066 0.000 0.989 247 E CA 1.080 57.440 56.400 -0.067 0.000 0.800 247 E CB -0.648 29.032 29.700 -0.033 0.000 0.746 247 E HN 0.416 nan 8.360 nan 0.000 0.452 248 E N 0.179 120.358 120.200 -0.034 0.000 2.072 248 E HA -0.186 4.207 4.350 0.072 0.000 0.191 248 E C 1.973 178.538 176.600 -0.058 0.000 0.985 248 E CA 0.692 57.096 56.400 0.006 0.000 0.801 248 E CB -0.040 29.712 29.700 0.087 0.000 0.750 248 E HN 0.180 nan 8.360 nan 0.000 0.452 249 L N 1.103 122.205 121.223 -0.203 0.000 2.046 249 L HA -0.100 4.283 4.340 0.072 0.000 0.208 249 L C 2.270 178.856 176.870 -0.473 0.000 1.077 249 L CA 2.279 56.775 54.840 -0.574 0.000 0.747 249 L CB -0.888 40.679 42.059 -0.821 0.000 0.896 249 L HN 0.179 nan 8.230 nan 0.000 0.432 250 A N -0.363 122.247 122.820 -0.350 0.000 1.902 250 A HA -0.244 4.119 4.320 0.072 0.000 0.217 250 A C 2.570 180.116 177.584 -0.064 0.000 1.181 250 A CA 1.821 53.732 52.037 -0.211 0.000 0.623 250 A CB -0.668 18.233 19.000 -0.165 0.000 0.818 250 A HN 0.525 nan 8.150 nan 0.000 0.443 251 R N -0.079 120.383 120.500 -0.063 0.000 2.070 251 R HA -0.127 4.256 4.340 0.072 0.000 0.233 251 R C 2.090 178.383 176.300 -0.010 0.000 1.137 251 R CA 1.812 57.898 56.100 -0.023 0.000 0.945 251 R CB -0.288 30.006 30.300 -0.011 0.000 0.845 251 R HN 0.494 nan 8.270 nan 0.000 0.430 252 K N -0.556 119.840 120.400 -0.006 0.000 2.147 252 K HA -0.212 4.151 4.320 0.072 0.000 0.205 252 K C 2.026 178.651 176.600 0.041 0.000 1.049 252 K CA 1.453 57.761 56.287 0.034 0.000 0.936 252 K CB -0.364 32.202 32.500 0.110 0.000 0.722 252 K HN 0.232 nan 8.250 nan 0.000 0.446 253 Y N 1.784 122.006 120.300 -0.129 0.000 2.070 253 Y HA -0.277 4.316 4.550 0.072 0.000 0.280 253 Y C 2.283 178.173 175.900 -0.017 0.000 1.148 253 Y CA 1.410 59.468 58.100 -0.069 0.000 1.125 253 Y CB -0.763 37.643 38.460 -0.091 0.000 0.975 253 Y HN 0.038 nan 8.280 nan 0.000 0.492 254 A N 0.124 122.844 122.820 -0.166 0.000 1.917 254 A HA -0.225 4.138 4.320 0.072 0.000 0.219 254 A C 1.635 179.120 177.584 -0.165 0.000 1.182 254 A CA 2.165 54.070 52.037 -0.220 0.000 0.633 254 A CB -0.884 18.068 19.000 -0.080 0.000 0.819 254 A HN 0.586 nan 8.150 nan 0.000 0.448 255 D N -1.058 119.290 120.400 -0.088 0.000 2.319 255 D HA 0.305 4.988 4.640 0.072 0.000 0.230 255 D C 1.215 177.488 176.300 -0.045 0.000 1.094 255 D CA 0.950 54.918 54.000 -0.053 0.000 0.856 255 D CB -0.356 40.434 40.800 -0.017 0.000 0.915 255 D HN 0.628 nan 8.370 nan 0.000 0.517 256 G N 1.450 110.204 108.800 -0.076 0.000 2.221 256 G HA2 -0.326 3.677 3.960 0.072 0.000 0.265 256 G HA3 -0.326 3.677 3.960 0.072 0.000 0.265 256 G C 0.408 175.324 174.900 0.026 0.000 1.041 256 G CA -0.094 44.983 45.100 -0.038 0.000 0.807 256 G HN 0.435 nan 8.290 nan 0.000 0.502 257 E N -0.880 119.352 120.200 0.053 0.000 2.585 257 E HA 0.365 4.758 4.350 0.072 0.000 0.206 257 E C -0.032 176.660 176.600 0.153 0.000 1.007 257 E CA -0.153 56.302 56.400 0.092 0.000 1.028 257 E CB 1.236 30.988 29.700 0.087 0.000 1.087 257 E HN 0.288 nan 8.360 nan 0.000 0.455 258 V N 1.361 121.379 119.914 0.174 0.000 2.577 258 V HA 0.106 4.269 4.120 0.072 0.000 0.303 258 V C -0.567 175.677 176.094 0.250 0.000 1.042 258 V CA -1.040 61.406 62.300 0.243 0.000 0.872 258 V CB 2.019 33.986 31.823 0.240 0.000 0.998 258 V HN 0.050 nan 8.190 nan 0.000 0.423 259 D N 3.973 124.515 120.400 0.238 0.000 2.383 259 D HA 0.252 4.935 4.640 0.072 0.000 0.245 259 D C -0.210 176.262 176.300 0.287 0.000 1.263 259 D CA 0.317 54.441 54.000 0.206 0.000 0.936 259 D CB 0.850 41.732 40.800 0.137 0.000 1.053 259 D HN 0.245 nan 8.370 nan 0.000 0.507 260 V N 3.965 124.058 119.914 0.297 0.000 2.607 260 V HA 0.269 4.432 4.120 0.072 0.000 0.289 260 V C 0.320 176.564 176.094 0.250 0.000 1.053 260 V CA -0.742 61.760 62.300 0.337 0.000 0.996 260 V CB 1.860 33.841 31.823 0.264 0.000 0.995 260 V HN 0.269 nan 8.190 nan 0.000 0.476 261 V N 5.309 125.383 119.914 0.266 0.000 2.313 261 V HA 0.271 4.434 4.120 0.072 0.000 0.278 261 V C -0.049 176.119 176.094 0.123 0.000 1.017 261 V CA -0.590 61.848 62.300 0.230 0.000 0.823 261 V CB 1.568 33.617 31.823 0.376 0.000 1.010 261 V HN 0.614 nan 8.190 nan 0.000 0.443 262 V N 6.963 126.936 119.914 0.098 0.000 2.439 262 V HA 0.202 4.365 4.120 0.072 0.000 0.271 262 V C 0.680 176.808 176.094 0.058 0.000 1.040 262 V CA -0.026 62.298 62.300 0.040 0.000 1.002 262 V CB 0.634 32.490 31.823 0.054 0.000 1.000 262 V HN 0.614 nan 8.190 nan 0.000 0.477 279 P HA 0.587 nan 4.420 nan 0.000 0.272 279 P C -2.424 174.889 177.300 0.021 0.000 1.240 279 P CA -0.978 62.133 63.100 0.019 0.000 0.791 279 P CB -0.198 31.520 31.700 0.029 0.000 0.978 280 P HA 0.094 nan 4.420 nan 0.000 0.269 280 P C -0.179 177.135 177.300 0.023 0.000 1.215 280 P CA -0.494 62.611 63.100 0.008 0.000 0.780 280 P CB 0.161 31.861 31.700 0.002 0.000 0.898 281 L N 2.675 123.892 121.223 -0.009 0.000 2.529 281 L HA -0.038 4.345 4.340 0.072 0.000 0.287 281 L C 1.479 178.316 176.870 -0.055 0.000 1.241 281 L CA 0.398 55.212 54.840 -0.044 0.000 0.857 281 L CB -0.681 41.297 42.059 -0.135 0.000 1.113 281 L HN 0.449 nan 8.230 nan 0.000 0.504 282 F N 0.103 120.046 119.950 -0.013 0.000 2.250 282 F HA -0.128 4.442 4.527 0.072 0.000 0.301 282 F C 1.926 177.701 175.800 -0.043 0.000 1.077 282 F CA 0.992 58.953 58.000 -0.064 0.000 1.348 282 F CB -1.114 37.757 39.000 -0.215 0.000 1.040 282 F HN 0.525 nan 8.300 nan 0.000 0.509 283 S N -1.043 114.277 115.700 -0.633 0.000 2.593 283 S HA 0.127 4.640 4.470 0.072 0.000 0.217 283 S C 0.831 175.433 174.600 0.002 0.000 0.966 283 S CA -0.067 57.968 58.200 -0.275 0.000 0.914 283 S CB -0.703 62.282 63.200 -0.357 0.000 0.776 283 S HN 0.400 nan 8.310 nan 0.000 0.523 284 S N 0.188 115.862 115.700 -0.043 0.000 2.616 284 S HA 0.389 4.903 4.470 0.072 0.000 0.277 284 S C 0.450 175.050 174.600 0.001 0.000 1.234 284 S CA -0.453 57.770 58.200 0.039 0.000 1.028 284 S CB 0.564 63.767 63.200 0.004 0.000 0.988 284 S HN 0.453 nan 8.310 nan 0.000 0.522 285 H N 1.437 120.497 119.070 -0.017 0.000 2.548 285 H HA 0.283 4.882 4.556 0.072 0.000 0.265 285 H C 0.261 175.558 175.328 -0.052 0.000 0.969 285 H CA 0.336 56.355 56.048 -0.048 0.000 1.155 285 H CB 0.104 29.828 29.762 -0.063 0.000 1.394 285 H HN 0.460 nan 8.280 nan 0.000 0.570 286 K N 2.192 122.627 120.400 0.059 0.000 2.511 286 K HA 0.015 4.378 4.320 0.072 0.000 0.280 286 K C -2.395 174.194 176.600 -0.019 0.000 1.008 286 K CA -1.295 54.998 56.287 0.009 0.000 1.050 286 K CB 0.099 32.597 32.500 -0.002 0.000 0.889 286 K HN 0.083 nan 8.250 nan 0.000 0.484 287 P HA -0.006 nan 4.420 nan 0.000 0.267 287 P C -0.733 176.527 177.300 -0.068 0.000 1.200 287 P CA 0.143 63.202 63.100 -0.070 0.000 0.772 287 P CB 0.635 32.285 31.700 -0.083 0.000 0.855 288 R N 0.880 121.327 120.500 -0.089 0.000 2.752 288 R HA 0.727 5.110 4.340 0.072 0.000 0.271 288 R C -0.258 175.975 176.300 -0.113 0.000 1.026 288 R CA -0.288 55.766 56.100 -0.077 0.000 0.901 288 R CB 0.415 30.693 30.300 -0.038 0.000 1.243 288 R HN 0.712 nan 8.270 nan 0.000 0.463 289 G N 0.531 109.276 108.800 -0.091 0.000 2.828 289 G HA2 -0.112 3.891 3.960 0.072 0.000 0.463 289 G HA3 -0.112 3.891 3.960 0.072 0.000 0.463 289 G C -1.614 173.191 174.900 -0.158 0.000 1.394 289 G CA -0.082 44.955 45.100 -0.105 0.000 0.862 289 G HN 0.758 nan 8.290 nan 0.000 0.540 290 D N -0.537 119.778 120.400 -0.141 0.000 2.934 290 D HA 0.489 5.172 4.640 0.072 0.000 0.230 290 D C -0.397 175.860 176.300 -0.072 0.000 1.204 290 D CA -0.426 53.492 54.000 -0.136 0.000 0.873 290 D CB 1.329 42.105 40.800 -0.040 0.000 1.645 290 D HN 0.158 nan 8.370 nan 0.000 0.502 291 F N 1.600 121.530 119.950 -0.033 0.000 2.459 291 F HA 0.177 4.747 4.527 0.072 0.000 0.346 291 F C -0.890 174.890 175.800 -0.034 0.000 1.128 291 F CA -1.838 56.139 58.000 -0.039 0.000 1.268 291 F CB -0.010 38.955 39.000 -0.059 0.000 1.161 291 F HN 0.203 nan 8.300 nan 0.000 0.583 292 P HA -0.124 nan 4.420 nan 0.000 0.217 292 P C -0.215 177.122 177.300 0.061 0.000 1.148 292 P CA 1.353 64.503 63.100 0.083 0.000 0.828 292 P CB 0.204 31.931 31.700 0.045 0.000 0.783 293 S N -0.049 115.684 115.700 0.055 0.000 2.269 293 S HA 0.357 4.870 4.470 0.072 0.000 0.194 293 S C -2.481 172.129 174.600 0.016 0.000 1.547 293 S CA -1.070 57.136 58.200 0.010 0.000 1.186 293 S CB 0.405 63.580 63.200 -0.042 0.000 1.069 293 S HN 0.020 nan 8.310 nan 0.000 0.473 294 P HA 0.177 nan 4.420 nan 0.000 0.266 294 P C -0.672 176.437 177.300 -0.320 0.000 1.193 294 P CA -0.027 63.021 63.100 -0.087 0.000 0.770 294 P CB 0.443 32.061 31.700 -0.137 0.000 0.836 295 I N 2.961 123.371 120.570 -0.267 0.000 2.378 295 I HA 0.201 4.414 4.170 0.072 0.000 0.291 295 I C 1.065 177.003 176.117 -0.298 0.000 0.992 295 I CA -0.471 60.680 61.300 -0.248 0.000 1.154 295 I CB 1.409 39.383 38.000 -0.043 0.000 1.315 295 I HN 0.474 nan 8.210 nan 0.000 0.448 296 H N 4.936 124.025 119.070 0.031 0.000 2.827 296 H HA 0.244 4.843 4.556 0.072 0.000 0.269 296 H C 0.114 175.445 175.328 0.004 0.000 1.031 296 H CA 0.339 56.396 56.048 0.015 0.000 1.202 296 H CB 0.764 30.532 29.762 0.009 0.000 1.511 296 H HN 0.405 nan 8.280 nan 0.000 0.517 297 V N -1.526 118.441 119.914 0.089 0.000 3.113 297 V HA 0.618 4.781 4.120 0.072 0.000 0.316 297 V C 0.399 176.505 176.094 0.020 0.000 1.125 297 V CA -1.120 61.210 62.300 0.051 0.000 1.026 297 V CB 2.057 33.906 31.823 0.043 0.000 1.080 297 V HN -0.007 nan 8.190 nan 0.000 0.444 298 S N 0.856 116.561 115.700 0.008 0.000 2.576 298 S HA 0.586 5.099 4.470 0.072 0.000 0.276 298 S C 0.590 175.186 174.600 -0.007 0.000 1.339 298 S CA 0.203 58.399 58.200 -0.006 0.000 1.039 298 S CB 1.064 64.256 63.200 -0.013 0.000 0.902 298 S HN 1.398 nan 8.310 nan 0.000 0.516 299 G N 1.634 110.426 108.800 -0.014 0.000 2.621 299 G HA2 0.481 4.485 3.960 0.072 0.000 0.271 299 G HA3 0.481 4.485 3.960 0.072 0.000 0.271 299 G C -2.588 172.304 174.900 -0.013 0.000 1.236 299 G CA -1.203 43.888 45.100 -0.015 0.000 0.958 299 G HN 0.471 nan 8.290 nan 0.000 0.512 300 P HA 0.295 nan 4.420 nan 0.000 0.269 300 P C -0.416 176.879 177.300 -0.008 0.000 1.215 300 P CA -0.125 62.970 63.100 -0.007 0.000 0.780 300 P CB 0.634 32.331 31.700 -0.005 0.000 0.898 301 R N 0.856 121.355 120.500 -0.003 0.000 2.771 301 R HA 0.617 5.000 4.340 0.072 0.000 0.274 301 R C -0.894 175.409 176.300 0.005 0.000 0.987 301 R CA -1.078 55.020 56.100 -0.003 0.000 0.908 301 R CB 0.849 31.148 30.300 -0.001 0.000 1.213 301 R HN 0.233 nan 8.270 nan 0.000 0.468 302 L N 2.707 123.933 121.223 0.004 0.000 2.416 302 L HA 0.300 4.683 4.340 0.072 0.000 0.272 302 L C -0.001 176.881 176.870 0.019 0.000 1.161 302 L CA -0.615 54.235 54.840 0.017 0.000 0.845 302 L CB 1.425 43.495 42.059 0.018 0.000 1.119 302 L HN 0.598 nan 8.230 nan 0.000 0.464 303 V N 1.753 121.680 119.914 0.021 0.000 2.715 303 V HA 0.489 4.652 4.120 0.072 0.000 0.310 303 V C -0.463 175.639 176.094 0.013 0.000 1.054 303 V CA -0.739 61.568 62.300 0.010 0.000 0.928 303 V CB 1.709 33.528 31.823 -0.006 0.000 1.007 303 V HN 0.876 nan 8.190 nan 0.000 0.437 304 Q N 3.278 123.078 119.800 -0.000 0.000 3.075 304 Q HA 0.397 4.780 4.340 0.072 0.000 0.318 304 Q C -1.977 173.985 176.000 -0.064 0.000 0.907 304 Q CA -1.513 54.291 55.803 0.002 0.000 0.882 304 Q CB 1.734 30.498 28.738 0.045 0.000 1.386 304 Q HN 0.785 nan 8.270 nan 0.000 0.408 305 P HA -0.132 nan 4.420 nan 0.000 0.221 305 P C 0.278 177.403 177.300 -0.292 0.000 1.150 305 P CA 1.054 63.989 63.100 -0.274 0.000 0.800 305 P CB 0.252 31.711 31.700 -0.402 0.000 0.787 306 H N -0.668 118.418 119.070 0.026 0.000 2.529 306 H HA 0.364 4.963 4.556 0.072 0.000 0.277 306 H C 1.386 176.716 175.328 0.004 0.000 1.004 306 H CA 0.667 56.727 56.048 0.019 0.000 1.167 306 H CB -0.213 29.566 29.762 0.028 0.000 1.445 306 H HN 0.159 nan 8.280 nan 0.000 0.554 307 G N 2.028 110.859 108.800 0.052 0.000 2.829 307 G HA2 -0.212 3.791 3.960 0.072 0.000 0.628 307 G HA3 -0.212 3.791 3.960 0.072 0.000 0.628 307 G C -2.676 172.206 174.900 -0.030 0.000 1.412 307 G CA -1.054 44.048 45.100 0.002 0.000 0.864 307 G HN 0.116 nan 8.290 nan 0.000 0.544 308 P HA 0.264 nan 4.420 nan 0.000 0.268 308 P C 0.617 177.753 177.300 -0.274 0.000 1.205 308 P CA -0.037 62.834 63.100 -0.383 0.000 0.771 308 P CB 0.494 31.626 31.700 -0.946 0.000 0.858 309 R N 1.529 121.975 120.500 -0.090 0.000 2.312 309 R HA 0.165 4.548 4.340 0.072 0.000 0.205 309 R C 0.635 177.058 176.300 0.205 0.000 0.904 309 R CA 0.190 56.351 56.100 0.102 0.000 1.052 309 R CB -0.205 30.246 30.300 0.252 0.000 1.014 309 R HN 0.519 nan 8.270 nan 0.000 0.503 310 F N 0.077 120.131 119.950 0.173 0.000 2.403 310 F HA 0.554 5.124 4.527 0.072 0.000 0.326 310 F C 0.087 175.919 175.800 0.052 0.000 1.081 310 F CA -1.458 56.630 58.000 0.146 0.000 1.041 310 F CB 0.672 39.673 39.000 0.001 0.000 1.234 310 F HN -0.425 nan 8.300 nan 0.000 0.503 311 R N 2.879 123.467 120.500 0.147 0.000 2.343 311 R HA 0.510 4.893 4.340 0.072 0.000 0.320 311 R C -1.605 174.763 176.300 0.113 0.000 0.956 311 R CA -0.907 55.217 56.100 0.040 0.000 0.836 311 R CB 1.677 31.988 30.300 0.019 0.000 1.151 311 R HN 0.817 nan 8.270 nan 0.000 0.450 312 L N 1.491 122.782 121.223 0.114 0.000 2.298 312 L HA 0.456 4.839 4.340 0.072 0.000 0.284 312 L C -0.269 176.648 176.870 0.079 0.000 1.013 312 L CA -0.138 54.788 54.840 0.144 0.000 0.824 312 L CB 1.491 43.695 42.059 0.241 0.000 1.221 312 L HN 0.817 nan 8.230 nan 0.000 0.418 313 E N 3.776 124.005 120.200 0.048 0.000 2.186 313 E HA 0.627 5.020 4.350 0.072 0.000 0.255 313 E C 0.561 177.170 176.600 0.015 0.000 0.881 313 E CA -0.214 56.202 56.400 0.028 0.000 0.752 313 E CB 0.631 30.335 29.700 0.007 0.000 1.176 313 E HN 1.514 nan 8.360 nan 0.000 0.421 314 G N 2.513 111.331 108.800 0.030 0.000 2.596 314 G HA2 -0.386 3.617 3.960 0.072 0.000 0.304 314 G HA3 -0.386 3.617 3.960 0.072 0.000 0.304 314 G C 0.924 175.784 174.900 -0.066 0.000 1.189 314 G CA 0.747 45.847 45.100 -0.001 0.000 0.986 314 G HN 1.507 nan 8.290 nan 0.000 0.548 315 N N 2.063 120.623 118.700 -0.234 0.000 2.276 315 N HA 0.533 5.316 4.740 0.072 0.000 0.212 315 N C 0.271 175.444 175.510 -0.562 0.000 1.127 315 N CA 1.083 53.697 53.050 -0.727 0.000 0.834 315 N CB 0.384 38.446 38.487 -0.709 0.000 1.014 315 N HN 1.369 nan 8.380 nan 0.000 0.491 316 A N 0.272 122.979 122.820 -0.189 0.000 2.331 316 A HA 0.662 5.025 4.320 0.072 0.000 0.320 316 A C -0.765 176.741 177.584 -0.130 0.000 1.138 316 A CA -0.595 51.360 52.037 -0.136 0.000 0.790 316 A CB 1.577 20.529 19.000 -0.081 0.000 1.206 316 A HN 0.041 nan 8.150 nan 0.000 0.470 317 V N 3.490 123.182 119.914 -0.369 0.000 2.540 317 V HA 0.493 4.656 4.120 0.072 0.000 0.302 317 V C -0.408 175.436 176.094 -0.417 0.000 1.035 317 V CA -0.355 61.656 62.300 -0.482 0.000 0.873 317 V CB 1.432 32.607 31.823 -1.080 0.000 0.992 317 V HN 0.778 nan 8.190 nan 0.000 0.428 318 L N 4.705 125.848 121.223 -0.134 0.000 2.346 318 L HA 0.632 5.015 4.340 0.072 0.000 0.276 318 L C -1.300 175.681 176.870 0.184 0.000 1.006 318 L CA -0.740 54.096 54.840 -0.008 0.000 0.817 318 L CB 1.722 43.781 42.059 0.000 0.000 1.272 318 L HN 0.675 nan 8.230 nan 0.000 0.421 319 Y N 2.369 122.715 120.300 0.077 0.000 2.294 319 Y HA 0.510 5.103 4.550 0.072 0.000 0.329 319 Y C 0.497 176.508 175.900 0.185 0.000 1.135 319 Y CA -0.129 58.075 58.100 0.174 0.000 1.213 319 Y CB 1.168 39.751 38.460 0.205 0.000 1.141 319 Y HN 0.787 nan 8.280 nan 0.000 0.446 320 G N 3.679 112.357 108.800 -0.204 0.000 2.672 320 G HA2 -0.426 3.577 3.960 0.072 0.000 0.332 320 G HA3 -0.426 3.577 3.960 0.072 0.000 0.332 320 G C 1.268 175.973 174.900 -0.326 0.000 1.213 320 G CA 0.677 45.604 45.100 -0.289 0.000 0.980 320 G HN 1.585 nan 8.290 nan 0.000 0.548 321 G N -0.519 107.911 108.800 -0.617 0.000 2.572 321 G HA2 0.263 4.266 3.960 0.072 0.000 0.216 321 G HA3 0.263 4.266 3.960 0.072 0.000 0.216 321 G C 0.599 174.834 174.900 -1.107 0.000 1.133 321 G CA 0.541 44.866 45.100 -1.292 0.000 0.791 321 G HN 0.479 nan 8.290 nan 0.000 0.538 322 W N 1.075 122.132 121.300 -0.404 0.000 2.316 322 W HA 0.527 5.230 4.660 0.072 0.000 0.321 322 W C 0.426 176.935 176.519 -0.017 0.000 1.203 322 W CA -0.561 56.765 57.345 -0.033 0.000 1.214 322 W CB 1.326 30.923 29.460 0.229 0.000 1.169 322 W HN 0.058 nan 8.180 nan 0.000 0.561 323 S N 3.524 119.440 115.700 0.359 0.000 2.575 323 S HA 0.848 5.361 4.470 0.072 0.000 0.278 323 S C -1.144 173.623 174.600 0.279 0.000 1.139 323 S CA -0.852 57.436 58.200 0.146 0.000 0.954 323 S CB 0.829 64.031 63.200 0.004 0.000 1.054 323 S HN 0.588 nan 8.310 nan 0.000 0.483 324 F N -0.158 119.793 119.950 0.001 0.000 2.713 324 F HA 0.943 5.513 4.527 0.071 0.000 0.311 324 F C -0.835 174.939 175.800 -0.044 0.000 1.141 324 F CA -1.088 56.887 58.000 -0.041 0.000 0.939 324 F CB 0.792 39.719 39.000 -0.121 0.000 1.325 324 F HN 0.844 nan 8.300 nan 0.000 0.453 325 A N 1.356 124.247 122.820 0.118 0.000 2.330 325 A HA 0.932 5.295 4.320 0.072 0.000 0.329 325 A C -1.464 176.218 177.584 0.164 0.000 1.135 325 A CA -0.702 51.341 52.037 0.011 0.000 0.817 325 A CB 1.065 20.032 19.000 -0.055 0.000 1.269 325 A HN 1.204 nan 8.150 nan 0.000 0.469 326 F N -0.454 119.540 119.950 0.072 0.000 2.620 326 F HA 0.923 5.492 4.527 0.071 0.000 0.320 326 F C -0.248 175.595 175.800 0.071 0.000 1.069 326 F CA -1.046 56.998 58.000 0.072 0.000 0.953 326 F CB 1.619 40.711 39.000 0.153 0.000 1.322 326 F HN 0.864 nan 8.300 nan 0.000 0.479 327 R N 1.350 121.996 120.500 0.243 0.000 2.764 327 R HA 0.807 5.190 4.340 0.072 0.000 0.270 327 R C -2.489 173.950 176.300 0.231 0.000 1.014 327 R CA -1.154 55.056 56.100 0.184 0.000 0.904 327 R CB 1.921 32.287 30.300 0.111 0.000 1.236 327 R HN 0.833 nan 8.270 nan 0.000 0.466 328 L N 1.618 122.958 121.223 0.195 0.000 2.366 328 L HA 0.471 4.855 4.340 0.072 0.000 0.266 328 L C -0.617 176.340 176.870 0.145 0.000 1.010 328 L CA -0.529 54.412 54.840 0.168 0.000 0.879 328 L CB 1.225 43.398 42.059 0.191 0.000 1.228 328 L HN 0.698 nan 8.230 nan 0.000 0.439 329 R N 2.223 122.778 120.500 0.092 0.000 2.296 329 R HA 0.201 4.584 4.340 0.072 0.000 0.323 329 R C 1.020 177.345 176.300 0.042 0.000 1.067 329 R CA 0.245 56.396 56.100 0.085 0.000 0.946 329 R CB 0.922 31.262 30.300 0.067 0.000 0.991 329 R HN 0.818 nan 8.270 nan 0.000 0.448 330 S N 1.509 117.256 115.700 0.078 0.000 2.387 330 S HA -0.219 4.294 4.470 0.072 0.000 0.230 330 S C 1.772 176.304 174.600 -0.113 0.000 1.035 330 S CA 1.943 60.112 58.200 -0.052 0.000 1.014 330 S CB -0.040 63.217 63.200 0.095 0.000 0.836 330 S HN 0.848 nan 8.310 nan 0.000 0.466 331 S N 1.738 117.448 115.700 0.017 0.000 2.335 331 S HA -0.060 4.453 4.470 0.072 0.000 0.217 331 S C 2.001 176.584 174.600 -0.029 0.000 1.032 331 S CA 1.266 59.487 58.200 0.036 0.000 0.985 331 S CB -0.580 62.687 63.200 0.111 0.000 0.896 331 S HN 0.623 nan 8.310 nan 0.000 0.445 332 S N 0.384 116.063 115.700 -0.035 0.000 2.505 332 S HA 0.585 5.098 4.470 0.072 0.000 0.216 332 S C 1.147 175.636 174.600 -0.186 0.000 1.018 332 S CA 0.330 58.481 58.200 -0.082 0.000 0.911 332 S CB -0.047 63.129 63.200 -0.041 0.000 0.818 332 S HN 1.423 nan 8.310 nan 0.000 0.497 333 G N 1.262 109.964 108.800 -0.164 0.000 2.416 333 G HA2 -0.005 3.998 3.960 0.072 0.000 0.203 333 G HA3 -0.005 3.998 3.960 0.072 0.000 0.203 333 G C -0.968 173.848 174.900 -0.139 0.000 1.227 333 G CA -0.467 44.488 45.100 -0.242 0.000 1.041 333 G HN 0.708 nan 8.290 nan 0.000 0.546 334 L N 1.462 122.580 121.223 -0.175 0.000 2.416 334 L HA 0.616 4.999 4.340 0.072 0.000 0.272 334 L C 0.586 177.582 176.870 0.210 0.000 1.161 334 L CA 0.493 55.375 54.840 0.070 0.000 0.845 334 L CB 0.700 42.830 42.059 0.118 0.000 1.119 334 L HN 0.673 nan 8.230 nan 0.000 0.464 335 Q N 4.096 124.014 119.800 0.196 0.000 2.389 335 Q HA 0.671 5.054 4.340 0.072 0.000 0.277 335 Q C -1.340 174.626 176.000 -0.056 0.000 1.082 335 Q CA -1.064 54.771 55.803 0.054 0.000 0.810 335 Q CB 2.529 31.270 28.738 0.005 0.000 1.374 335 Q HN 0.540 nan 8.270 nan 0.000 0.422 336 V N -0.492 119.190 119.914 -0.386 0.000 2.581 336 V HA 0.782 4.945 4.120 0.072 0.000 0.303 336 V C -0.820 175.068 176.094 -0.342 0.000 1.041 336 V CA -0.763 61.344 62.300 -0.322 0.000 0.907 336 V CB 1.239 32.734 31.823 -0.547 0.000 0.994 336 V HN 0.663 nan 8.190 nan 0.000 0.442 337 L N 2.768 123.784 121.223 -0.345 0.000 2.388 337 L HA 0.637 5.020 4.340 0.072 0.000 0.264 337 L C 0.368 176.896 176.870 -0.570 0.000 0.998 337 L CA -0.738 53.712 54.840 -0.650 0.000 0.817 337 L CB 1.850 43.217 42.059 -1.154 0.000 1.338 337 L HN 0.891 nan 8.230 nan 0.000 0.414 338 N N 0.810 119.181 118.700 -0.548 0.000 2.738 338 N HA -0.160 4.623 4.740 0.072 0.000 0.249 338 N C -0.926 174.693 175.510 0.181 0.000 1.047 338 N CA 0.340 53.303 53.050 -0.145 0.000 0.707 338 N CB -0.601 37.824 38.487 -0.104 0.000 0.937 338 N HN 0.317 nan 8.380 nan 0.000 0.545 339 V N 1.686 121.660 119.914 0.100 0.000 2.508 339 V HA 0.186 4.349 4.120 0.072 0.000 0.281 339 V C 0.579 176.849 176.094 0.292 0.000 1.041 339 V CA 0.133 62.589 62.300 0.260 0.000 1.016 339 V CB 0.773 32.689 31.823 0.155 0.000 0.984 339 V HN 0.353 nan 8.190 nan 0.000 0.478 340 H N 3.616 122.860 119.070 0.290 0.000 2.622 340 H HA 0.631 5.230 4.556 0.072 0.000 0.363 340 H C -1.064 174.434 175.328 0.284 0.000 1.151 340 H CA -0.677 55.516 56.048 0.240 0.000 1.184 340 H CB 1.789 31.646 29.762 0.159 0.000 1.643 340 H HN 0.580 nan 8.280 nan 0.000 0.531 341 F N 0.639 120.673 119.950 0.141 0.000 2.529 341 F HA 0.454 5.024 4.527 0.072 0.000 0.320 341 F C 0.880 176.802 175.800 0.203 0.000 1.118 341 F CA 0.154 58.141 58.000 -0.022 0.000 0.915 341 F CB 1.491 40.314 39.000 -0.296 0.000 1.161 341 F HN 0.788 nan 8.300 nan 0.000 0.445 342 G N 3.139 111.905 108.800 -0.055 0.000 2.198 342 G HA2 -0.010 3.993 3.960 0.072 0.000 0.260 342 G HA3 -0.010 3.993 3.960 0.072 0.000 0.260 342 G C 0.988 176.001 174.900 0.189 0.000 1.025 342 G CA 0.502 45.690 45.100 0.146 0.000 0.769 342 G HN 2.171 nan 8.290 nan 0.000 0.507 343 G N -1.623 107.277 108.800 0.167 0.000 2.162 343 G HA2 -0.222 3.781 3.960 0.072 0.000 0.260 343 G HA3 -0.222 3.781 3.960 0.072 0.000 0.260 343 G C 0.016 175.121 174.900 0.342 0.000 0.976 343 G CA 1.011 46.235 45.100 0.207 0.000 0.655 343 G HN 1.101 nan 8.290 nan 0.000 0.533 344 E N -0.319 120.090 120.200 0.350 0.000 2.199 344 E HA 0.467 4.860 4.350 0.072 0.000 0.269 344 E C 0.252 176.849 176.600 -0.006 0.000 0.899 344 E CA -1.026 55.519 56.400 0.243 0.000 0.772 344 E CB 1.684 31.555 29.700 0.285 0.000 1.155 344 E HN 0.301 nan 8.360 nan 0.000 0.408 345 R N 2.828 123.137 120.500 -0.318 0.000 2.489 345 R HA 0.132 4.515 4.340 0.072 0.000 0.287 345 R C 0.390 176.579 176.300 -0.186 0.000 1.053 345 R CA 0.333 56.089 56.100 -0.573 0.000 1.036 345 R CB 0.374 30.437 30.300 -0.396 0.000 0.966 345 R HN 0.643 nan 8.270 nan 0.000 0.432 346 I N 2.319 122.752 120.570 -0.228 0.000 3.194 346 I HA 0.236 4.449 4.170 0.072 0.000 0.271 346 I C 0.223 176.190 176.117 -0.250 0.000 1.150 346 I CA 0.157 61.257 61.300 -0.334 0.000 1.440 346 I CB 0.602 38.278 38.000 -0.541 0.000 1.276 346 I HN 0.595 nan 8.210 nan 0.000 0.457 347 A N -1.033 121.688 122.820 -0.166 0.000 2.408 347 A HA 0.340 4.703 4.320 0.072 0.000 0.295 347 A C -0.423 177.129 177.584 -0.055 0.000 1.040 347 A CA -0.494 51.470 52.037 -0.122 0.000 0.707 347 A CB 0.574 19.474 19.000 -0.167 0.000 1.235 347 A HN 0.285 nan 8.150 nan 0.000 0.418 348 Y N 1.765 121.996 120.300 -0.114 0.000 2.220 348 Y HA 0.130 4.723 4.550 0.071 0.000 0.291 348 Y C 0.774 176.605 175.900 -0.116 0.000 1.129 348 Y CA 2.333 60.386 58.100 -0.077 0.000 1.161 348 Y CB 0.365 38.802 38.460 -0.039 0.000 0.997 348 Y HN 0.696 nan 8.280 nan 0.000 0.522 349 E N 0.061 120.206 120.200 -0.090 0.000 2.304 349 E HA 0.489 4.882 4.350 0.072 0.000 0.277 349 E C -2.120 174.377 176.600 -0.172 0.000 0.898 349 E CA -0.698 55.596 56.400 -0.176 0.000 0.764 349 E CB 1.957 31.636 29.700 -0.035 0.000 1.216 349 E HN -0.138 nan 8.360 nan 0.000 0.419 350 V N 3.301 123.075 119.914 -0.233 0.000 2.443 350 V HA 0.543 4.706 4.120 0.072 0.000 0.293 350 V C -0.677 175.352 176.094 -0.109 0.000 1.021 350 V CA -0.556 61.632 62.300 -0.186 0.000 0.848 350 V CB 1.245 32.888 31.823 -0.299 0.000 0.998 350 V HN 0.704 nan 8.190 nan 0.000 0.424 351 S N 3.098 118.856 115.700 0.097 0.000 2.540 351 S HA 0.727 5.240 4.470 0.072 0.000 0.275 351 S C -0.853 173.836 174.600 0.148 0.000 1.123 351 S CA -0.848 57.437 58.200 0.142 0.000 0.907 351 S CB 1.755 64.967 63.200 0.020 0.000 1.081 351 S HN 0.362 nan 8.310 nan 0.000 0.476 352 V N 3.383 123.293 119.914 -0.006 0.000 2.572 352 V HA 0.174 4.337 4.120 0.072 0.000 0.291 352 V C 0.709 176.626 176.094 -0.296 0.000 1.039 352 V CA 0.222 62.279 62.300 -0.406 0.000 1.055 352 V CB 0.837 32.186 31.823 -0.790 0.000 0.969 352 V HN 0.969 nan 8.190 nan 0.000 0.482 353 Q N 2.136 121.746 119.800 -0.317 0.000 2.431 353 Q HA 0.292 4.675 4.340 0.072 0.000 0.244 353 Q C 0.334 176.206 176.000 -0.212 0.000 0.880 353 Q CA 0.291 55.986 55.803 -0.179 0.000 0.954 353 Q CB 1.280 29.970 28.738 -0.079 0.000 1.105 353 Q HN 0.835 nan 8.270 nan 0.000 0.558 354 E N -0.835 119.191 120.200 -0.290 0.000 2.388 354 E HA 0.610 5.003 4.350 0.072 0.000 0.281 354 E C -2.086 174.467 176.600 -0.079 0.000 1.046 354 E CA -0.376 55.929 56.400 -0.159 0.000 0.825 354 E CB 1.665 31.272 29.700 -0.154 0.000 1.243 354 E HN 0.039 nan 8.360 nan 0.000 0.438 355 A N 1.942 124.826 122.820 0.106 0.000 2.414 355 A HA 0.683 5.046 4.320 0.072 0.000 0.286 355 A C -1.111 176.631 177.584 0.262 0.000 1.073 355 A CA -0.172 51.974 52.037 0.181 0.000 0.727 355 A CB 0.693 19.830 19.000 0.228 0.000 1.215 355 A HN 1.016 nan 8.150 nan 0.000 0.430 356 V N -0.475 119.606 119.914 0.278 0.000 2.864 356 V HA 1.004 5.167 4.120 0.072 0.000 0.314 356 V C -0.140 176.062 176.094 0.180 0.000 1.073 356 V CA -0.417 62.042 62.300 0.265 0.000 0.956 356 V CB 1.649 33.628 31.823 0.260 0.000 1.023 356 V HN 1.961 nan 8.190 nan 0.000 0.435 357 A N 4.990 127.911 122.820 0.167 0.000 2.375 357 A HA 0.838 5.201 4.320 0.072 0.000 0.291 357 A C -0.961 176.619 177.584 -0.006 0.000 1.160 357 A CA -0.543 51.487 52.037 -0.011 0.000 0.747 357 A CB 0.881 19.928 19.000 0.079 0.000 1.170 357 A HN 1.017 nan 8.150 nan 0.000 0.458 358 L N 2.983 124.086 121.223 -0.201 0.000 2.298 358 L HA 0.501 4.884 4.340 0.072 0.000 0.284 358 L C -1.074 175.654 176.870 -0.237 0.000 1.013 358 L CA -0.505 54.268 54.840 -0.111 0.000 0.824 358 L CB 0.930 42.934 42.059 -0.091 0.000 1.221 358 L HN 0.712 nan 8.230 nan 0.000 0.418 359 Y N 0.969 121.274 120.300 0.008 0.000 2.457 359 Y HA 0.696 5.289 4.550 0.072 0.000 0.333 359 Y C 0.886 176.801 175.900 0.025 0.000 1.119 359 Y CA -0.517 57.612 58.100 0.048 0.000 1.143 359 Y CB 2.022 40.512 38.460 0.050 0.000 1.230 359 Y HN 0.541 nan 8.280 nan 0.000 0.469 360 G N -0.533 108.385 108.800 0.196 0.000 2.489 360 G HA2 0.650 4.653 3.960 0.072 0.000 0.327 360 G HA3 0.650 4.653 3.960 0.072 0.000 0.327 360 G C -0.882 174.059 174.900 0.068 0.000 1.189 360 G CA -0.723 44.448 45.100 0.117 0.000 0.962 360 G HN 0.883 nan 8.290 nan 0.000 0.486 361 G N -0.955 107.702 108.800 -0.238 0.000 2.703 361 G HA2 0.462 4.465 3.960 0.072 0.000 0.294 361 G HA3 0.462 4.465 3.960 0.072 0.000 0.294 361 G C 0.222 174.780 174.900 -0.569 0.000 1.451 361 G CA -0.212 44.734 45.100 -0.256 0.000 0.869 361 G HN 0.842 nan 8.290 nan 0.000 0.516 362 H N -0.540 118.309 119.070 -0.369 0.000 2.470 362 H HA 0.053 4.653 4.556 0.072 0.000 0.289 362 H C 1.127 176.258 175.328 -0.327 0.000 1.033 362 H CA 1.206 57.128 56.048 -0.211 0.000 1.331 362 H CB -0.506 29.279 29.762 0.040 0.000 1.414 362 H HN 0.587 nan 8.280 nan 0.000 0.545 363 T N -1.265 112.697 114.554 -0.987 0.000 2.918 363 T HA 0.227 4.620 4.350 0.072 0.000 0.283 363 T C -1.679 172.393 174.700 -1.047 0.000 1.001 363 T CA -1.880 59.392 62.100 -1.380 0.000 1.041 363 T CB 2.575 70.476 68.868 -1.611 0.000 1.028 363 T HN -0.112 nan 8.240 nan 0.000 0.511 364 P HA -0.100 nan 4.420 nan 0.000 0.215 364 P C 1.661 178.363 177.300 -0.996 0.000 1.157 364 P CA 1.727 64.151 63.100 -1.127 0.000 0.868 364 P CB -0.438 30.176 31.700 -1.810 0.000 0.788 365 A N 0.184 122.452 122.820 -0.920 0.000 1.908 365 A HA -0.116 4.247 4.320 0.072 0.000 0.218 365 A C 2.609 180.036 177.584 -0.262 0.000 1.181 365 A CA 2.321 54.136 52.037 -0.370 0.000 0.627 365 A CB -1.932 16.971 19.000 -0.163 0.000 0.818 365 A HN 0.299 nan 8.150 nan 0.000 0.445 366 G N 0.370 108.954 108.800 -0.360 0.000 2.421 366 G HA2 -0.245 3.758 3.960 0.072 0.000 0.216 366 G HA3 -0.245 3.758 3.960 0.072 0.000 0.216 366 G C 1.671 176.475 174.900 -0.159 0.000 1.171 366 G CA 1.406 46.360 45.100 -0.243 0.000 0.775 366 G HN 0.737 nan 8.290 nan 0.000 0.543 367 M N -0.450 119.009 119.600 -0.236 0.000 2.476 367 M HA 0.209 4.732 4.480 0.072 0.000 0.262 367 M C 2.182 178.446 176.300 -0.060 0.000 1.079 367 M CA 1.709 56.920 55.300 -0.149 0.000 1.104 367 M CB -0.022 32.465 32.600 -0.189 0.000 1.409 367 M HN 0.204 nan 8.290 nan 0.000 0.467 368 Q N 1.771 121.527 119.800 -0.075 0.000 2.311 368 Q HA 0.085 4.468 4.340 0.072 0.000 0.203 368 Q C -0.208 175.786 176.000 -0.010 0.000 0.954 368 Q CA 0.935 56.749 55.803 0.017 0.000 0.885 368 Q CB -0.047 28.744 28.738 0.088 0.000 0.963 368 Q HN 0.505 nan 8.270 nan 0.000 0.471 369 T N 1.846 116.361 114.554 -0.066 0.000 2.738 369 T HA 0.291 4.684 4.350 0.072 0.000 0.293 369 T C -0.573 174.087 174.700 -0.067 0.000 0.913 369 T CA -0.110 61.861 62.100 -0.215 0.000 1.103 369 T CB 0.396 69.004 68.868 -0.433 0.000 0.880 369 T HN 0.049 nan 8.240 nan 0.000 0.526 370 K N 3.425 123.745 120.400 -0.133 0.000 2.626 370 K HA 0.264 4.627 4.320 0.072 0.000 0.223 370 K C -1.257 175.350 176.600 0.012 0.000 0.992 370 K CA -0.645 55.630 56.287 -0.020 0.000 1.024 370 K CB 0.980 33.467 32.500 -0.022 0.000 1.225 370 K HN 0.463 nan 8.250 nan 0.000 0.498 371 Y N 2.062 122.444 120.300 0.136 0.000 2.336 371 Y HA 0.230 4.822 4.550 0.071 0.000 0.335 371 Y C -0.111 175.901 175.900 0.186 0.000 1.046 371 Y CA -0.662 57.519 58.100 0.136 0.000 1.198 371 Y CB 0.691 39.147 38.460 -0.007 0.000 1.182 371 Y HN 0.306 nan 8.280 nan 0.000 0.502 372 L N 4.343 125.842 121.223 0.460 0.000 2.353 372 L HA 0.327 4.710 4.340 0.072 0.000 0.270 372 L C 0.584 177.732 176.870 0.465 0.000 1.003 372 L CA -0.223 54.848 54.840 0.385 0.000 0.862 372 L CB 1.275 43.526 42.059 0.320 0.000 1.221 372 L HN 0.547 nan 8.230 nan 0.000 0.430 373 D N 1.268 121.890 120.400 0.370 0.000 2.312 373 D HA -0.069 4.614 4.640 0.072 0.000 0.211 373 D C 2.017 178.526 176.300 0.348 0.000 0.964 373 D CA 0.723 54.943 54.000 0.366 0.000 0.877 373 D CB 0.499 41.464 40.800 0.275 0.000 0.924 373 D HN 0.287 nan 8.370 nan 0.000 0.515 374 V N 0.784 120.844 119.914 0.244 0.000 2.594 374 V HA -0.151 4.012 4.120 0.072 0.000 0.253 374 V C 2.422 178.638 176.094 0.202 0.000 1.069 374 V CA 1.832 64.225 62.300 0.155 0.000 1.082 374 V CB -0.762 31.105 31.823 0.073 0.000 0.680 374 V HN 0.257 nan 8.190 nan 0.000 0.469 375 G N -1.693 107.270 108.800 0.273 0.000 2.625 375 G HA2 -0.208 3.795 3.960 0.072 0.000 0.214 375 G HA3 -0.208 3.795 3.960 0.072 0.000 0.214 375 G C 0.745 175.674 174.900 0.049 0.000 1.132 375 G CA 0.130 45.320 45.100 0.150 0.000 0.782 375 G HN 0.687 nan 8.290 nan 0.000 0.538 376 W N -0.352 121.052 121.300 0.174 0.000 2.818 376 W HA 0.488 5.193 4.660 0.075 0.000 0.403 376 W C 1.155 177.654 176.519 -0.033 0.000 0.991 376 W CA -0.855 56.596 57.345 0.178 0.000 1.925 376 W CB -0.070 29.470 29.460 0.133 0.000 1.166 376 W HN 0.238 nan 8.180 nan 0.000 0.605 377 G N 2.149 110.947 108.800 -0.003 0.000 2.370 377 G HA2 -0.327 3.676 3.960 0.072 0.000 0.295 377 G HA3 -0.327 3.676 3.960 0.072 0.000 0.295 377 G C 0.681 175.400 174.900 -0.302 0.000 1.045 377 G CA 0.169 44.946 45.100 -0.539 0.000 1.199 377 G HN 0.336 nan 8.290 nan 0.000 0.513 378 L N 0.859 122.024 121.223 -0.097 0.000 2.079 378 L HA 0.144 4.527 4.340 0.072 0.000 0.210 378 L C 2.496 179.276 176.870 -0.151 0.000 1.081 378 L CA 3.323 58.137 54.840 -0.043 0.000 0.752 378 L CB -0.505 41.551 42.059 -0.006 0.000 0.896 378 L HN 0.567 nan 8.230 nan 0.000 0.433 379 G N -2.583 106.077 108.800 -0.234 0.000 2.920 379 G HA2 -0.046 3.957 3.960 0.072 0.000 0.208 379 G HA3 -0.046 3.957 3.960 0.072 0.000 0.208 379 G C 1.359 175.934 174.900 -0.542 0.000 1.159 379 G CA 0.609 45.546 45.100 -0.271 0.000 0.784 379 G HN 0.423 nan 8.290 nan 0.000 0.535 380 S N -0.527 114.742 115.700 -0.719 0.000 2.511 380 S HA 0.047 4.560 4.470 0.072 0.000 0.214 380 S C 1.444 175.549 174.600 -0.825 0.000 0.997 380 S CA 0.174 57.662 58.200 -1.185 0.000 0.908 380 S CB 0.624 63.242 63.200 -0.969 0.000 0.803 380 S HN 0.363 nan 8.310 nan 0.000 0.504 381 V N 1.917 121.563 119.914 -0.446 0.000 2.966 381 V HA 0.345 4.508 4.120 0.072 0.000 0.378 381 V C 0.355 176.333 176.094 -0.193 0.000 1.279 381 V CA -0.434 61.716 62.300 -0.250 0.000 1.439 381 V CB -0.959 30.876 31.823 0.021 0.000 1.451 381 V HN 0.341 nan 8.190 nan 0.000 0.570 382 T N -1.155 113.218 114.554 -0.301 0.000 3.766 382 T HA 0.361 4.755 4.350 0.072 0.000 0.327 382 T C 0.254 174.942 174.700 -0.021 0.000 1.595 382 T CA -0.295 61.761 62.100 -0.072 0.000 1.204 382 T CB -0.582 68.282 68.868 -0.006 0.000 1.245 382 T HN 0.597 nan 8.240 nan 0.000 0.875 383 H N 1.182 120.322 119.070 0.117 0.000 2.544 383 H HA 0.292 4.890 4.556 0.071 0.000 0.365 383 H C 0.453 175.833 175.328 0.087 0.000 1.268 383 H CA -0.564 55.532 56.048 0.079 0.000 1.400 383 H CB 0.818 30.578 29.762 -0.003 0.000 1.538 383 H HN 0.632 nan 8.280 nan 0.000 0.597 384 E N 1.332 121.643 120.200 0.184 0.000 2.417 384 E HA 0.026 4.419 4.350 0.072 0.000 0.261 384 E C -0.485 176.230 176.600 0.191 0.000 1.000 384 E CA -0.269 56.153 56.400 0.036 0.000 0.919 384 E CB 0.265 29.768 29.700 -0.329 0.000 0.955 384 E HN 0.263 nan 8.360 nan 0.000 0.455 385 L N 3.778 125.101 121.223 0.166 0.000 2.360 385 L HA 0.247 4.630 4.340 0.072 0.000 0.276 385 L C 0.257 177.258 176.870 0.218 0.000 1.121 385 L CA -0.481 54.504 54.840 0.242 0.000 0.845 385 L CB 1.049 43.306 42.059 0.331 0.000 1.143 385 L HN 0.564 nan 8.230 nan 0.000 0.452 386 A N 6.370 129.367 122.820 0.295 0.000 2.302 386 A HA 0.537 4.900 4.320 0.072 0.000 0.295 386 A C -2.314 175.395 177.584 0.209 0.000 1.235 386 A CA -1.471 50.750 52.037 0.307 0.000 0.876 386 A CB -0.207 18.915 19.000 0.203 0.000 1.133 386 A HN 0.387 nan 8.150 nan 0.000 0.533 387 P HA 0.282 nan 4.420 nan 0.000 0.268 387 P C 1.200 178.652 177.300 0.255 0.000 1.204 387 P CA 1.710 64.862 63.100 0.087 0.000 0.768 387 P CB 0.961 32.538 31.700 -0.205 0.000 0.842 388 G N 2.287 111.200 108.800 0.188 0.000 2.317 388 G HA2 -0.293 3.710 3.960 0.072 0.000 0.227 388 G HA3 -0.293 3.710 3.960 0.072 0.000 0.227 388 G C 0.780 175.690 174.900 0.016 0.000 1.042 388 G CA 0.359 45.509 45.100 0.083 0.000 0.623 388 G HN 0.477 nan 8.290 nan 0.000 0.509 389 I N -0.015 120.578 120.570 0.038 0.000 3.341 389 I HA 0.201 4.414 4.170 0.072 0.000 0.243 389 I C 2.063 178.173 176.117 -0.012 0.000 1.094 389 I CA 0.705 61.997 61.300 -0.013 0.000 1.507 389 I CB -0.264 37.718 38.000 -0.031 0.000 1.441 389 I HN -0.063 nan 8.210 nan 0.000 0.465 390 D N 0.745 121.173 120.400 0.045 0.000 2.149 390 D HA -0.012 4.671 4.640 0.072 0.000 0.201 390 D C 0.384 176.697 176.300 0.020 0.000 0.972 390 D CA 1.008 55.039 54.000 0.051 0.000 0.835 390 D CB 0.109 40.984 40.800 0.125 0.000 0.966 390 D HN 0.297 nan 8.370 nan 0.000 0.476 391 c N -0.240 118.375 118.600 0.026 0.000 2.971 391 c HA 0.468 5.081 4.570 0.072 0.000 0.310 391 c C -2.416 171.508 174.090 -0.277 0.000 1.285 391 c CA -1.839 54.322 56.329 -0.280 0.000 1.593 391 c CB 1.817 44.160 42.510 -0.279 0.000 2.076 391 c HN 0.015 nan 8.230 nan 0.000 0.472 392 P HA 0.111 nan 4.420 nan 0.000 0.267 392 P C 0.216 177.486 177.300 -0.051 0.000 1.201 392 P CA 0.456 63.371 63.100 -0.308 0.000 0.775 392 P CB 0.501 31.958 31.700 -0.404 0.000 0.854 393 E N 0.086 120.309 120.200 0.039 0.000 2.209 393 E HA -0.158 4.235 4.350 0.072 0.000 0.196 393 E C 1.454 178.147 176.600 0.155 0.000 0.993 393 E CA 1.890 58.374 56.400 0.139 0.000 0.819 393 E CB -0.787 28.968 29.700 0.091 0.000 0.745 393 E HN 0.588 nan 8.360 nan 0.000 0.477 394 T N -2.005 112.588 114.554 0.065 0.000 3.129 394 T HA 0.382 4.775 4.350 0.072 0.000 0.251 394 T C 0.842 175.569 174.700 0.045 0.000 1.117 394 T CA 0.086 62.225 62.100 0.066 0.000 1.034 394 T CB 0.032 68.932 68.868 0.052 0.000 0.968 394 T HN 0.135 nan 8.240 nan 0.000 0.526 395 A N 1.644 124.414 122.820 -0.083 0.000 2.425 395 A HA 0.491 4.854 4.320 0.072 0.000 0.242 395 A C 0.547 177.934 177.584 -0.328 0.000 1.077 395 A CA -0.336 51.533 52.037 -0.280 0.000 0.781 395 A CB -0.038 18.519 19.000 -0.738 0.000 1.020 395 A HN 0.361 nan 8.150 nan 0.000 0.494 396 T N 2.498 116.959 114.554 -0.155 0.000 2.729 396 T HA 0.453 4.846 4.350 0.072 0.000 0.296 396 T C -0.660 173.897 174.700 -0.238 0.000 0.928 396 T CA 0.512 62.586 62.100 -0.044 0.000 1.045 396 T CB -0.485 68.493 68.868 0.183 0.000 0.902 396 T HN 0.317 nan 8.240 nan 0.000 0.500 397 F N 3.375 123.387 119.950 0.103 0.000 2.408 397 F HA 0.559 5.129 4.527 0.071 0.000 0.344 397 F C -0.091 175.758 175.800 0.081 0.000 1.112 397 F CA -1.133 56.913 58.000 0.077 0.000 1.096 397 F CB 0.898 39.925 39.000 0.044 0.000 1.129 397 F HN 0.237 nan 8.300 nan 0.000 0.486 398 L N 3.270 124.630 121.223 0.228 0.000 2.365 398 L HA 0.479 4.862 4.340 0.072 0.000 0.273 398 L C -0.632 176.325 176.870 0.145 0.000 1.000 398 L CA -0.663 54.288 54.840 0.184 0.000 0.819 398 L CB 1.407 43.579 42.059 0.188 0.000 1.284 398 L HN 0.429 nan 8.230 nan 0.000 0.418 399 D N 0.244 120.718 120.400 0.123 0.000 2.277 399 D HA 0.688 5.371 4.640 0.072 0.000 0.250 399 D C -0.064 176.257 176.300 0.035 0.000 1.032 399 D CA -0.165 53.851 54.000 0.027 0.000 0.947 399 D CB 2.018 42.870 40.800 0.085 0.000 1.159 399 D HN 0.486 nan 8.370 nan 0.000 0.460 400 T N -0.503 113.988 114.554 -0.104 0.000 2.681 400 T HA 0.648 5.041 4.350 0.072 0.000 0.296 400 T C -1.750 172.788 174.700 -0.269 0.000 1.157 400 T CA -0.531 61.524 62.100 -0.075 0.000 1.025 400 T CB 0.406 69.196 68.868 -0.129 0.000 1.441 400 T HN 0.149 nan 8.240 nan 0.000 0.504 401 F N 1.649 121.512 119.950 -0.145 0.000 2.540 401 F HA 0.590 5.159 4.527 0.070 0.000 0.317 401 F C 0.240 175.875 175.800 -0.274 0.000 1.104 401 F CA -0.746 57.220 58.000 -0.056 0.000 0.913 401 F CB 1.807 40.848 39.000 0.069 0.000 1.170 401 F HN 0.458 nan 8.300 nan 0.000 0.450 402 H N 1.835 121.045 119.070 0.233 0.000 2.622 402 H HA 0.235 4.833 4.556 0.070 0.000 0.363 402 H C -1.620 173.859 175.328 0.251 0.000 1.151 402 H CA -0.767 55.349 56.048 0.113 0.000 1.184 402 H CB 2.333 31.972 29.762 -0.204 0.000 1.643 402 H HN 0.662 nan 8.280 nan 0.000 0.531 403 Y N 3.396 123.838 120.300 0.236 0.000 2.712 403 Y HA 0.256 4.844 4.550 0.064 0.000 0.328 403 Y C -1.661 174.292 175.900 0.089 0.000 0.995 403 Y CA -0.717 57.462 58.100 0.131 0.000 1.283 403 Y CB 0.284 38.782 38.460 0.062 0.000 1.092 403 Y HN 0.542 nan 8.280 nan 0.000 0.519 404 Y N 5.624 125.746 120.300 -0.297 0.000 2.315 404 Y HA 0.304 4.901 4.550 0.078 0.000 0.324 404 Y C -0.170 175.388 175.900 -0.570 0.000 1.062 404 Y CA -1.188 56.646 58.100 -0.444 0.000 1.159 404 Y CB 0.805 39.091 38.460 -0.289 0.000 1.145 404 Y HN 0.642 nan 8.280 nan 0.000 0.442 405 D N 3.634 123.323 120.400 -1.186 0.000 2.735 405 D HA -0.177 4.506 4.640 0.072 0.000 0.235 405 D C -1.314 174.789 176.300 -0.328 0.000 1.175 405 D CA 1.608 55.160 54.000 -0.746 0.000 0.683 405 D CB -0.844 39.675 40.800 -0.469 0.000 1.008 405 D HN 0.834 nan 8.370 nan 0.000 0.416 406 A N 0.365 122.896 122.820 -0.483 0.000 2.566 406 A HA 0.606 4.969 4.320 0.072 0.000 0.292 406 A C 0.581 177.987 177.584 -0.297 0.000 1.112 406 A CA -0.394 51.455 52.037 -0.314 0.000 0.707 406 A CB 1.301 20.136 19.000 -0.275 0.000 1.302 406 A HN 0.004 nan 8.150 nan 0.000 0.409 407 D N 0.192 120.536 120.400 -0.093 0.000 2.271 407 D HA 0.137 4.820 4.640 0.072 0.000 0.206 407 D C -0.324 175.981 176.300 0.007 0.000 0.967 407 D CA 1.323 55.335 54.000 0.020 0.000 0.867 407 D CB 0.344 41.173 40.800 0.049 0.000 0.960 407 D HN 0.552 nan 8.370 nan 0.000 0.509 408 D N -0.976 119.421 120.400 -0.006 0.000 2.583 408 D HA 0.259 4.942 4.640 0.072 0.000 0.248 408 D C -2.686 173.716 176.300 0.169 0.000 1.209 408 D CA -1.457 52.575 54.000 0.054 0.000 0.848 408 D CB 2.230 43.055 40.800 0.041 0.000 1.431 408 D HN -0.243 nan 8.370 nan 0.000 0.436 409 P HA 0.075 nan 4.420 nan 0.000 0.265 409 P C -0.516 177.025 177.300 0.401 0.000 1.193 409 P CA -0.154 63.171 63.100 0.375 0.000 0.765 409 P CB 0.604 32.472 31.700 0.280 0.000 0.823 410 V N 3.662 123.847 119.914 0.452 0.000 2.459 410 V HA 0.184 4.348 4.120 0.072 0.000 0.295 410 V C 0.408 176.701 176.094 0.331 0.000 1.029 410 V CA -0.660 61.872 62.300 0.387 0.000 0.874 410 V CB 1.001 33.064 31.823 0.400 0.000 0.985 410 V HN 0.624 nan 8.190 nan 0.000 0.438 411 H N 4.535 123.558 119.070 -0.078 0.000 2.767 411 H HA 0.227 4.826 4.556 0.071 0.000 0.316 411 H C -1.599 173.575 175.328 -0.257 0.000 1.059 411 H CA -0.060 55.640 56.048 -0.581 0.000 1.461 411 H CB 0.491 29.971 29.762 -0.469 0.000 1.475 411 H HN 0.589 nan 8.280 nan 0.000 0.531 412 Y N 6.781 126.630 120.300 -0.751 0.000 2.575 412 Y HA 0.219 4.810 4.550 0.069 0.000 0.326 412 Y C -2.031 173.483 175.900 -0.643 0.000 0.979 412 Y CA -2.750 55.058 58.100 -0.487 0.000 1.286 412 Y CB 1.193 39.482 38.460 -0.285 0.000 1.093 412 Y HN 0.617 nan 8.280 nan 0.000 0.501 413 P HA 0.128 nan 4.420 nan 0.000 0.275 413 P C -0.460 176.746 177.300 -0.156 0.000 1.227 413 P CA -0.277 62.600 63.100 -0.372 0.000 0.781 413 P CB 0.759 32.305 31.700 -0.256 0.000 0.906 414 R N 1.021 121.490 120.500 -0.051 0.000 3.322 414 R HA -0.223 4.160 4.340 0.072 0.000 0.253 414 R C 1.036 177.403 176.300 0.111 0.000 0.987 414 R CA 0.453 56.603 56.100 0.082 0.000 0.666 414 R CB -2.387 27.912 30.300 -0.002 0.000 1.072 414 R HN 0.603 nan 8.270 nan 0.000 0.447 415 A N -0.061 122.806 122.820 0.079 0.000 1.968 415 A HA 0.107 4.470 4.320 0.072 0.000 0.217 415 A C 0.730 178.389 177.584 0.125 0.000 1.169 415 A CA 0.871 52.965 52.037 0.094 0.000 0.638 415 A CB 0.288 19.319 19.000 0.052 0.000 0.812 415 A HN 0.230 nan 8.150 nan 0.000 0.446 416 L N -1.944 119.358 121.223 0.133 0.000 2.327 416 L HA 0.599 4.982 4.340 0.072 0.000 0.258 416 L C -0.271 176.661 176.870 0.103 0.000 1.024 416 L CA -0.664 54.239 54.840 0.105 0.000 0.825 416 L CB 1.947 44.039 42.059 0.054 0.000 1.386 416 L HN 0.377 nan 8.230 nan 0.000 0.417 417 c N 0.325 118.944 118.600 0.031 0.000 2.994 417 c HA 0.925 5.538 4.570 0.072 0.000 0.304 417 c C -1.204 172.825 174.090 -0.103 0.000 1.273 417 c CA -0.977 55.304 56.329 -0.080 0.000 1.537 417 c CB 1.451 43.845 42.510 -0.193 0.000 2.001 417 c HN 0.759 nan 8.230 nan 0.000 0.471 418 L N 2.998 124.132 121.223 -0.148 0.000 2.438 418 L HA 0.971 5.354 4.340 0.072 0.000 0.270 418 L C -0.845 175.892 176.870 -0.223 0.000 0.972 418 L CA -0.424 54.220 54.840 -0.327 0.000 0.831 418 L CB 1.518 43.340 42.059 -0.394 0.000 1.273 418 L HN 0.988 nan 8.230 nan 0.000 0.405 419 F N 1.475 121.125 119.950 -0.500 0.000 2.688 419 F HA 0.591 5.160 4.527 0.071 0.000 0.308 419 F C -1.015 174.607 175.800 -0.296 0.000 1.117 419 F CA -0.896 56.931 58.000 -0.288 0.000 0.976 419 F CB 1.144 40.036 39.000 -0.180 0.000 1.291 419 F HN 0.556 nan 8.300 nan 0.000 0.439 420 E N 4.042 124.292 120.200 0.083 0.000 2.216 420 E HA 0.682 5.075 4.350 0.072 0.000 0.279 420 E C -1.089 175.638 176.600 0.212 0.000 0.997 420 E CA -0.997 55.419 56.400 0.027 0.000 0.817 420 E CB 1.436 31.228 29.700 0.154 0.000 1.096 420 E HN 0.792 nan 8.360 nan 0.000 0.393 421 M N 2.389 122.076 119.600 0.144 0.000 2.433 421 M HA 0.562 5.085 4.480 0.072 0.000 0.290 421 M C -2.762 173.601 176.300 0.105 0.000 1.173 421 M CA -2.418 52.986 55.300 0.174 0.000 0.905 421 M CB 2.365 35.123 32.600 0.262 0.000 1.692 421 M HN 0.080 nan 8.290 nan 0.000 0.462 422 P HA 0.108 nan 4.420 nan 0.000 0.267 422 P C 0.676 178.018 177.300 0.071 0.000 1.205 422 P CA 0.038 63.191 63.100 0.089 0.000 0.765 422 P CB 0.701 32.451 31.700 0.084 0.000 0.828 423 T N -0.766 113.831 114.554 0.071 0.000 3.055 423 T HA 0.108 4.501 4.350 0.072 0.000 0.265 423 T C 1.461 176.200 174.700 0.065 0.000 1.111 423 T CA 0.811 62.950 62.100 0.066 0.000 1.118 423 T CB -0.973 67.956 68.868 0.102 0.000 0.909 423 T HN 0.642 nan 8.240 nan 0.000 0.501 424 G N 0.239 109.079 108.800 0.067 0.000 2.162 424 G HA2 -0.181 3.822 3.960 0.072 0.000 0.260 424 G HA3 -0.181 3.822 3.960 0.072 0.000 0.260 424 G C 0.082 175.017 174.900 0.059 0.000 0.976 424 G CA 0.165 45.298 45.100 0.055 0.000 0.655 424 G HN 1.133 nan 8.290 nan 0.000 0.533 425 V N 1.438 121.398 119.914 0.077 0.000 2.760 425 V HA 0.746 4.909 4.120 0.072 0.000 0.309 425 V C -2.200 173.953 176.094 0.099 0.000 1.077 425 V CA -1.837 60.511 62.300 0.079 0.000 0.910 425 V CB 2.494 34.359 31.823 0.069 0.000 1.008 425 V HN 0.091 nan 8.190 nan 0.000 0.424 426 P HA 0.129 nan 4.420 nan 0.000 0.268 426 P C 0.849 178.211 177.300 0.104 0.000 1.205 426 P CA 0.038 63.204 63.100 0.110 0.000 0.771 426 P CB 1.196 32.969 31.700 0.121 0.000 0.858 427 L N 2.286 123.577 121.223 0.112 0.000 2.046 427 L HA -0.109 4.274 4.340 0.072 0.000 0.208 427 L C 1.157 178.065 176.870 0.064 0.000 1.077 427 L CA 1.604 56.506 54.840 0.103 0.000 0.747 427 L CB -0.043 42.088 42.059 0.120 0.000 0.896 427 L HN 0.537 nan 8.230 nan 0.000 0.432 428 R N -0.877 119.658 120.500 0.058 0.000 2.643 428 R HA 0.636 5.019 4.340 0.072 0.000 0.269 428 R C -1.353 174.971 176.300 0.040 0.000 1.037 428 R CA -1.020 55.105 56.100 0.041 0.000 0.894 428 R CB 1.355 31.666 30.300 0.018 0.000 1.238 428 R HN 0.080 nan 8.270 nan 0.000 0.459 429 R N 0.263 120.790 120.500 0.045 0.000 2.663 429 R HA 0.557 4.940 4.340 0.072 0.000 0.267 429 R C -1.872 174.473 176.300 0.075 0.000 1.038 429 R CA -1.086 55.017 56.100 0.005 0.000 0.886 429 R CB 1.265 31.622 30.300 0.096 0.000 1.249 429 R HN 0.854 nan 8.270 nan 0.000 0.463 430 H N 1.168 120.144 119.070 -0.158 0.000 3.026 430 H HA 0.462 5.061 4.556 0.072 0.000 0.352 430 H C -2.118 173.163 175.328 -0.079 0.000 1.090 430 H CA -1.124 54.883 56.048 -0.068 0.000 1.268 430 H CB 1.282 31.011 29.762 -0.055 0.000 1.816 430 H HN 0.614 nan 8.280 nan 0.000 0.518 431 F N 5.533 125.067 119.950 -0.693 0.000 2.334 431 F HA 0.332 4.902 4.527 0.072 0.000 0.367 431 F C -0.274 174.917 175.800 -1.015 0.000 1.115 431 F CA -0.465 57.210 58.000 -0.542 0.000 1.116 431 F CB 0.489 39.360 39.000 -0.214 0.000 1.230 431 F HN 0.588 nan 8.300 nan 0.000 0.484 432 N N 5.175 123.064 118.700 -1.353 0.000 2.719 432 N HA 0.009 4.792 4.740 0.072 0.000 0.243 432 N C -0.472 174.503 175.510 -0.891 0.000 1.104 432 N CA -0.014 52.425 53.050 -1.019 0.000 0.981 432 N CB 0.676 38.401 38.487 -1.271 0.000 1.290 432 N HN 0.587 nan 8.380 nan 0.000 0.513 433 S N 1.928 117.183 115.700 -0.743 0.000 2.572 433 S HA -0.009 4.504 4.470 0.072 0.000 0.279 433 S C 1.386 175.582 174.600 -0.673 0.000 1.341 433 S CA -0.473 57.318 58.200 -0.682 0.000 1.043 433 S CB 0.374 63.098 63.200 -0.794 0.000 0.887 433 S HN 0.739 nan 8.310 nan 0.000 0.516 434 N N 3.191 121.681 118.700 -0.350 0.000 2.336 434 N HA 0.033 4.816 4.740 0.072 0.000 0.189 434 N C 0.168 175.715 175.510 0.062 0.000 1.113 434 N CA 0.073 53.060 53.050 -0.104 0.000 0.858 434 N CB -0.927 37.559 38.487 -0.001 0.000 0.970 434 N HN 0.673 nan 8.380 nan 0.000 0.471 435 F N -0.891 119.099 119.950 0.066 0.000 3.069 435 F HA -0.262 4.308 4.527 0.072 0.000 0.285 435 F C 0.181 176.012 175.800 0.052 0.000 0.827 435 F CA 0.803 58.839 58.000 0.061 0.000 1.108 435 F CB -1.980 37.046 39.000 0.043 0.000 1.252 435 F HN 0.200 nan 8.300 nan 0.000 0.483 436 K N -0.332 120.158 120.400 0.150 0.000 2.860 436 K HA 0.530 4.893 4.320 0.072 0.000 0.204 436 K C 1.013 177.663 176.600 0.083 0.000 1.127 436 K CA 0.300 56.655 56.287 0.112 0.000 1.050 436 K CB 1.006 33.565 32.500 0.099 0.000 0.745 436 K HN 0.324 nan 8.250 nan 0.000 0.459 437 G N -0.126 108.720 108.800 0.078 0.000 2.157 437 G HA2 -0.211 3.792 3.960 0.072 0.000 0.239 437 G HA3 -0.211 3.792 3.960 0.072 0.000 0.239 437 G C 0.311 175.259 174.900 0.080 0.000 0.982 437 G CA -0.197 44.941 45.100 0.063 0.000 0.650 437 G HN 0.596 nan 8.290 nan 0.000 0.527 438 G N -0.811 108.051 108.800 0.103 0.000 2.947 438 G HA2 0.941 4.944 3.960 0.072 0.000 0.293 438 G HA3 0.941 4.944 3.960 0.072 0.000 0.293 438 G C -0.780 174.234 174.900 0.190 0.000 1.243 438 G CA -0.357 44.846 45.100 0.172 0.000 0.802 438 G HN 1.439 nan 8.290 nan 0.000 0.560 439 F N -1.216 118.647 119.950 -0.144 0.000 2.631 439 F HA 0.591 5.161 4.527 0.072 0.000 0.308 439 F C 0.083 175.741 175.800 -0.237 0.000 1.097 439 F CA -1.321 56.450 58.000 -0.382 0.000 0.952 439 F CB 1.612 40.185 39.000 -0.712 0.000 1.307 439 F HN 0.269 nan 8.300 nan 0.000 0.450 440 N N 1.431 119.852 118.700 -0.466 0.000 2.305 440 N HA 0.152 4.936 4.740 0.072 0.000 0.179 440 N C -0.582 174.660 175.510 -0.446 0.000 1.019 440 N CA 1.403 54.248 53.050 -0.342 0.000 0.869 440 N CB 0.139 38.553 38.487 -0.123 0.000 1.000 440 N HN 0.690 nan 8.380 nan 0.000 0.431 441 F N -2.424 117.081 119.950 -0.741 0.000 2.770 441 F HA 0.421 4.991 4.527 0.072 0.000 0.313 441 F C -1.744 173.868 175.800 -0.312 0.000 1.154 441 F CA -1.709 55.806 58.000 -0.809 0.000 0.923 441 F CB 0.832 39.195 39.000 -1.061 0.000 1.301 441 F HN -0.181 nan 8.300 nan 0.000 0.449 442 Y N 1.895 122.221 120.300 0.043 0.000 2.364 442 Y HA 0.853 5.446 4.550 0.072 0.000 0.340 442 Y C -1.164 174.836 175.900 0.167 0.000 0.975 442 Y CA -0.933 57.216 58.100 0.082 0.000 1.089 442 Y CB 1.591 40.161 38.460 0.184 0.000 1.192 442 Y HN 1.070 nan 8.280 nan 0.000 0.454 443 A N 3.944 126.422 122.820 -0.570 0.000 2.365 443 A HA 0.917 5.280 4.320 0.072 0.000 0.318 443 A C -0.601 176.544 177.584 -0.731 0.000 1.091 443 A CA -0.217 51.567 52.037 -0.421 0.000 0.763 443 A CB 1.107 20.072 19.000 -0.059 0.000 1.248 443 A HN 1.249 nan 8.150 nan 0.000 0.442 444 G N -0.025 108.584 108.800 -0.319 0.000 2.742 444 G HA2 0.585 4.588 3.960 0.072 0.000 0.296 444 G HA3 0.585 4.588 3.960 0.072 0.000 0.296 444 G C -2.109 172.824 174.900 0.056 0.000 1.436 444 G CA -0.437 44.609 45.100 -0.090 0.000 0.928 444 G HN 1.164 nan 8.290 nan 0.000 0.520 445 L N 1.421 122.686 121.223 0.069 0.000 2.342 445 L HA 0.572 4.955 4.340 0.072 0.000 0.276 445 L C 0.456 177.393 176.870 0.112 0.000 0.997 445 L CA -1.041 53.851 54.840 0.087 0.000 0.838 445 L CB 1.372 43.465 42.059 0.057 0.000 1.224 445 L HN 0.576 nan 8.230 nan 0.000 0.416 446 K N 3.130 123.606 120.400 0.126 0.000 2.524 446 K HA 0.220 4.583 4.320 0.072 0.000 0.279 446 K C 0.188 176.867 176.600 0.131 0.000 0.993 446 K CA 0.562 56.925 56.287 0.127 0.000 1.030 446 K CB 0.347 32.922 32.500 0.125 0.000 0.891 446 K HN 0.923 nan 8.250 nan 0.000 0.488 447 G N 3.795 112.673 108.800 0.130 0.000 2.355 447 G HA2 0.168 4.171 3.960 0.072 0.000 0.276 447 G HA3 0.168 4.171 3.960 0.072 0.000 0.276 447 G C -0.830 174.155 174.900 0.141 0.000 1.198 447 G CA -0.410 44.779 45.100 0.148 0.000 0.876 447 G HN 0.533 nan 8.290 nan 0.000 0.478 448 Q N 0.311 120.209 119.800 0.162 0.000 2.421 448 Q HA 0.650 5.033 4.340 0.072 0.000 0.280 448 Q C -1.276 174.790 176.000 0.109 0.000 1.085 448 Q CA -0.811 55.084 55.803 0.153 0.000 0.807 448 Q CB 2.985 31.856 28.738 0.222 0.000 1.405 448 Q HN 0.429 nan 8.270 nan 0.000 0.419 449 V N 1.818 121.730 119.914 -0.003 0.000 2.971 449 V HA 0.469 4.632 4.120 0.072 0.000 0.309 449 V C -1.642 174.289 176.094 -0.271 0.000 1.130 449 V CA -0.787 61.399 62.300 -0.189 0.000 0.964 449 V CB 2.578 34.084 31.823 -0.527 0.000 1.029 449 V HN 0.672 nan 8.190 nan 0.000 0.427 450 L N 6.110 127.101 121.223 -0.386 0.000 2.289 450 L HA 0.747 5.130 4.340 0.072 0.000 0.285 450 L C -0.780 175.770 176.870 -0.534 0.000 1.049 450 L CA 0.227 54.678 54.840 -0.648 0.000 0.804 450 L CB 1.579 43.099 42.059 -0.898 0.000 1.195 450 L HN 0.468 nan 8.230 nan 0.000 0.428 451 V N 6.205 125.633 119.914 -0.809 0.000 2.444 451 V HA 0.409 4.572 4.120 0.072 0.000 0.294 451 V C -0.580 175.095 176.094 -0.697 0.000 1.022 451 V CA -0.656 61.164 62.300 -0.800 0.000 0.850 451 V CB 1.570 32.639 31.823 -1.257 0.000 0.992 451 V HN 0.652 nan 8.190 nan 0.000 0.426 452 L N 6.100 127.124 121.223 -0.331 0.000 2.272 452 L HA 0.738 5.121 4.340 0.072 0.000 0.289 452 L C -0.239 176.554 176.870 -0.128 0.000 1.032 452 L CA 0.103 54.802 54.840 -0.236 0.000 0.810 452 L CB 1.004 42.998 42.059 -0.109 0.000 1.205 452 L HN 0.784 nan 8.230 nan 0.000 0.422 453 R N 3.150 123.603 120.500 -0.077 0.000 2.673 453 R HA 0.731 5.114 4.340 0.072 0.000 0.281 453 R C -1.215 175.137 176.300 0.087 0.000 0.991 453 R CA -0.362 55.760 56.100 0.036 0.000 0.896 453 R CB 1.997 32.367 30.300 0.118 0.000 1.201 453 R HN 0.743 nan 8.270 nan 0.000 0.457 454 T N 0.451 115.097 114.554 0.153 0.000 2.716 454 T HA 0.614 5.007 4.350 0.072 0.000 0.286 454 T C -1.132 173.735 174.700 0.278 0.000 1.052 454 T CA -0.255 61.960 62.100 0.191 0.000 1.024 454 T CB 1.603 70.571 68.868 0.166 0.000 1.349 454 T HN 0.784 nan 8.240 nan 0.000 0.525 455 T N -0.701 114.022 114.554 0.283 0.000 2.865 455 T HA 0.782 5.175 4.350 0.072 0.000 0.294 455 T C -1.002 173.917 174.700 0.365 0.000 1.119 455 T CA -0.669 61.623 62.100 0.320 0.000 1.007 455 T CB 1.386 70.365 68.868 0.184 0.000 1.225 455 T HN 0.902 nan 8.240 nan 0.000 0.515 456 S N 0.011 115.946 115.700 0.392 0.000 2.614 456 S HA 0.607 5.120 4.470 0.072 0.000 0.288 456 S C -0.872 173.821 174.600 0.154 0.000 1.137 456 S CA -0.781 57.596 58.200 0.295 0.000 0.992 456 S CB 1.377 64.843 63.200 0.442 0.000 1.026 456 S HN 0.816 nan 8.310 nan 0.000 0.486 457 T N 3.331 117.955 114.554 0.115 0.000 2.963 457 T HA 0.303 4.696 4.350 0.072 0.000 0.343 457 T C 1.069 175.805 174.700 0.060 0.000 1.146 457 T CA -0.506 61.616 62.100 0.037 0.000 1.016 457 T CB 1.028 69.936 68.868 0.066 0.000 1.046 457 T HN 0.495 nan 8.240 nan 0.000 0.496 458 V N 2.191 122.099 119.914 -0.011 0.000 2.379 458 V HA -0.011 4.152 4.120 0.072 0.000 0.245 458 V C 1.063 177.211 176.094 0.089 0.000 1.044 458 V CA 1.628 63.940 62.300 0.019 0.000 1.036 458 V CB -0.271 31.483 31.823 -0.116 0.000 0.664 458 V HN 0.939 nan 8.190 nan 0.000 0.453 459 Y N -0.667 119.509 120.300 -0.206 0.000 2.876 459 Y HA 0.193 4.785 4.550 0.071 0.000 0.120 459 Y C 0.709 176.425 175.900 -0.307 0.000 0.941 459 Y CA -0.030 57.981 58.100 -0.149 0.000 1.882 459 Y CB 0.129 38.437 38.460 -0.254 0.000 1.240 459 Y HN 0.260 nan 8.280 nan 0.000 0.220 463 Y N 1.248 121.498 120.300 -0.084 0.000 2.320 463 Y HA 0.581 5.174 4.550 0.071 0.000 0.334 463 Y C 0.417 176.086 175.900 -0.385 0.000 1.055 463 Y CA -0.863 57.050 58.100 -0.312 0.000 1.143 463 Y CB 0.942 39.141 38.460 -0.435 0.000 1.193 463 Y HN 0.289 nan 8.280 nan 0.000 0.477 464 I N 3.241 123.667 120.570 -0.240 0.000 2.330 464 I HA 0.242 4.455 4.170 0.072 0.000 0.289 464 I C -1.177 174.788 176.117 -0.253 0.000 1.001 464 I CA -0.569 60.665 61.300 -0.110 0.000 1.193 464 I CB 0.818 38.837 38.000 0.031 0.000 1.345 464 I HN 0.515 nan 8.210 nan 0.000 0.461 465 W N 5.321 126.646 121.300 0.042 0.000 2.329 465 W HA 0.428 5.131 4.660 0.072 0.000 0.312 465 W C -0.572 175.830 176.519 -0.195 0.000 1.054 465 W CA -0.448 56.832 57.345 -0.108 0.000 1.245 465 W CB 1.104 30.492 29.460 -0.120 0.000 1.255 465 W HN 0.291 nan 8.180 nan 0.000 0.436 466 D N 2.527 122.845 120.400 -0.136 0.000 2.362 466 D HA 0.446 5.129 4.640 0.072 0.000 0.247 466 D C -1.168 174.796 176.300 -0.560 0.000 1.050 466 D CA -0.582 53.276 54.000 -0.236 0.000 0.839 466 D CB 1.457 42.176 40.800 -0.134 0.000 1.283 466 D HN 0.065 nan 8.370 nan 0.000 0.477 467 F N 1.443 121.259 119.950 -0.224 0.000 2.493 467 F HA 0.541 5.111 4.527 0.071 0.000 0.329 467 F C 0.090 175.528 175.800 -0.603 0.000 1.126 467 F CA -0.866 56.863 58.000 -0.451 0.000 0.937 467 F CB 1.452 40.221 39.000 -0.385 0.000 1.146 467 F HN 0.024 nan 8.300 nan 0.000 0.442 468 I N 3.765 123.924 120.570 -0.686 0.000 2.498 468 I HA 0.396 4.609 4.170 0.072 0.000 0.290 468 I C -1.294 174.269 176.117 -0.923 0.000 1.032 468 I CA -0.553 60.370 61.300 -0.628 0.000 1.073 468 I CB 1.758 39.505 38.000 -0.423 0.000 1.251 468 I HN 0.352 nan 8.210 nan 0.000 0.426 469 F N 5.484 125.148 119.950 -0.477 0.000 2.499 469 F HA 0.485 5.054 4.527 0.071 0.000 0.333 469 F C -0.495 175.291 175.800 -0.023 0.000 1.138 469 F CA -0.686 57.031 58.000 -0.470 0.000 0.945 469 F CB 0.926 39.296 39.000 -1.051 0.000 1.181 469 F HN 0.213 nan 8.300 nan 0.000 0.435 470 Y N 3.339 123.881 120.300 0.403 0.000 2.335 470 Y HA 0.318 4.911 4.550 0.072 0.000 0.323 470 Y C -1.495 174.811 175.900 0.675 0.000 1.224 470 Y CA -2.154 56.211 58.100 0.441 0.000 1.241 470 Y CB 0.590 39.203 38.460 0.254 0.000 1.235 470 Y HN 0.373 nan 8.280 nan 0.000 0.492 471 P HA -0.133 nan 4.420 nan 0.000 0.225 471 P C 0.354 177.834 177.300 0.299 0.000 1.148 471 P CA 1.380 64.733 63.100 0.422 0.000 0.779 471 P CB 0.171 32.003 31.700 0.221 0.000 0.780 472 N N -1.175 117.645 118.700 0.199 0.000 2.276 472 N HA 0.113 4.896 4.740 0.072 0.000 0.212 472 N C 1.088 176.392 175.510 -0.344 0.000 1.127 472 N CA 0.373 53.367 53.050 -0.094 0.000 0.834 472 N CB -0.826 37.634 38.487 -0.046 0.000 1.014 472 N HN 0.109 nan 8.380 nan 0.000 0.491 473 G N -0.805 107.803 108.800 -0.320 0.000 2.176 473 G HA2 -0.257 3.746 3.960 0.072 0.000 0.253 473 G HA3 -0.257 3.746 3.960 0.072 0.000 0.253 473 G C -0.345 174.731 174.900 0.293 0.000 0.979 473 G CA 0.221 44.967 45.100 -0.589 0.000 0.641 473 G HN 0.301 nan 8.290 nan 0.000 0.530 474 V N 2.237 122.378 119.914 0.379 0.000 2.530 474 V HA 0.653 4.816 4.120 0.072 0.000 0.282 474 V C 0.755 177.158 176.094 0.516 0.000 1.048 474 V CA 0.660 63.163 62.300 0.337 0.000 0.997 474 V CB 1.224 33.040 31.823 -0.012 0.000 0.987 474 V HN 0.619 nan 8.190 nan 0.000 0.477 475 M N 3.292 123.074 119.600 0.303 0.000 2.598 475 M HA 0.825 5.348 4.480 0.072 0.000 0.317 475 M C -0.764 175.432 176.300 -0.174 0.000 1.179 475 M CA -0.511 54.717 55.300 -0.121 0.000 0.936 475 M CB 2.348 34.620 32.600 -0.546 0.000 1.713 475 M HN 0.561 nan 8.290 nan 0.000 0.460 476 E N 1.335 121.332 120.200 -0.338 0.000 2.293 476 E HA 0.779 5.172 4.350 0.072 0.000 0.270 476 E C -1.906 174.381 176.600 -0.521 0.000 0.879 476 E CA -0.976 55.215 56.400 -0.349 0.000 0.756 476 E CB 2.379 31.985 29.700 -0.156 0.000 1.208 476 E HN 0.931 nan 8.360 nan 0.000 0.428 477 A N 4.010 126.348 122.820 -0.804 0.000 2.330 477 A HA 0.628 4.991 4.320 0.072 0.000 0.327 477 A C -0.904 176.267 177.584 -0.688 0.000 1.155 477 A CA -0.573 50.949 52.037 -0.858 0.000 0.803 477 A CB 1.088 19.231 19.000 -1.428 0.000 1.208 477 A HN 0.529 nan 8.150 nan 0.000 0.477 478 K N 1.951 122.046 120.400 -0.509 0.000 2.501 478 K HA 0.539 4.902 4.320 0.072 0.000 0.252 478 K C -1.517 174.843 176.600 -0.399 0.000 0.934 478 K CA -0.607 55.420 56.287 -0.434 0.000 0.797 478 K CB 1.695 33.923 32.500 -0.454 0.000 1.270 478 K HN 0.715 nan 8.250 nan 0.000 0.431 479 M N 4.664 124.008 119.600 -0.426 0.000 2.253 479 M HA 0.335 4.858 4.480 0.072 0.000 0.314 479 M C -1.608 174.324 176.300 -0.613 0.000 1.019 479 M CA -0.361 54.589 55.300 -0.583 0.000 0.932 479 M CB 1.126 33.342 32.600 -0.641 0.000 1.606 479 M HN 0.752 nan 8.290 nan 0.000 0.430 480 H N 3.001 121.887 119.070 -0.307 0.000 2.466 480 H HA 0.651 5.250 4.556 0.071 0.000 0.338 480 H C -0.693 174.563 175.328 -0.121 0.000 1.091 480 H CA -0.746 55.187 56.048 -0.192 0.000 1.207 480 H CB 1.502 31.171 29.762 -0.155 0.000 1.466 480 H HN 0.774 nan 8.280 nan 0.000 0.493 481 A N 2.722 125.579 122.820 0.061 0.000 2.276 481 A HA 0.530 4.893 4.320 0.072 0.000 0.316 481 A C 0.359 177.967 177.584 0.040 0.000 1.229 481 A CA -0.350 51.769 52.037 0.136 0.000 0.851 481 A CB 1.314 20.415 19.000 0.169 0.000 1.165 481 A HN 0.722 nan 8.150 nan 0.000 0.513 482 T N 0.783 115.333 114.554 -0.007 0.000 2.598 482 T HA 0.759 5.152 4.350 0.072 0.000 0.289 482 T C 0.434 175.072 174.700 -0.103 0.000 1.056 482 T CA 1.125 63.195 62.100 -0.050 0.000 1.088 482 T CB 0.601 69.434 68.868 -0.059 0.000 1.519 482 T HN 2.689 nan 8.240 nan 0.000 0.488 483 G N 0.059 108.778 108.800 -0.135 0.000 2.632 483 G HA2 -0.136 3.867 3.960 0.072 0.000 0.224 483 G HA3 -0.136 3.867 3.960 0.072 0.000 0.224 483 G C -1.249 173.497 174.900 -0.256 0.000 1.341 483 G CA -0.025 44.956 45.100 -0.198 0.000 0.880 483 G HN 0.840 nan 8.290 nan 0.000 0.566 484 Y N 0.062 120.230 120.300 -0.220 0.000 2.304 484 Y HA 0.444 5.038 4.550 0.072 0.000 0.328 484 Y C 1.387 177.204 175.900 -0.139 0.000 1.123 484 Y CA 0.036 58.018 58.100 -0.198 0.000 1.218 484 Y CB 1.388 39.623 38.460 -0.374 0.000 1.207 484 Y HN 0.780 nan 8.280 nan 0.000 0.495 485 V N 0.180 120.179 119.914 0.140 0.000 2.924 485 V HA 0.114 4.277 4.120 0.072 0.000 0.305 485 V C -0.115 176.066 176.094 0.146 0.000 1.073 485 V CA -0.757 61.636 62.300 0.155 0.000 1.098 485 V CB 0.578 32.497 31.823 0.161 0.000 1.000 485 V HN 0.804 nan 8.190 nan 0.000 0.484 486 H N 2.921 122.000 119.070 0.015 0.000 2.800 486 H HA 0.691 5.290 4.556 0.072 0.000 0.291 486 H C 0.058 175.380 175.328 -0.009 0.000 1.076 486 H CA 0.712 56.735 56.048 -0.041 0.000 1.452 486 H CB 0.364 29.973 29.762 -0.255 0.000 1.461 486 H HN 1.255 nan 8.280 nan 0.000 0.488 487 A N 4.016 126.690 122.820 -0.244 0.000 2.498 487 A HA 0.685 5.048 4.320 0.072 0.000 0.298 487 A C -0.423 177.078 177.584 -0.138 0.000 1.075 487 A CA -0.199 51.767 52.037 -0.117 0.000 0.714 487 A CB 1.241 20.273 19.000 0.053 0.000 1.299 487 A HN 0.806 nan 8.150 nan 0.000 0.407 488 T N -1.888 112.654 114.554 -0.021 0.000 2.888 488 T HA 0.670 5.063 4.350 0.072 0.000 0.288 488 T C -0.410 174.430 174.700 0.234 0.000 1.063 488 T CA -0.564 61.565 62.100 0.047 0.000 1.010 488 T CB 0.813 69.631 68.868 -0.085 0.000 1.214 488 T HN 0.869 nan 8.240 nan 0.000 0.533 489 F N 1.984 122.016 119.950 0.137 0.000 2.529 489 F HA 0.371 4.941 4.527 0.072 0.000 0.365 489 F C 0.102 176.118 175.800 0.360 0.000 1.102 489 F CA -1.094 57.053 58.000 0.244 0.000 1.271 489 F CB 0.241 39.388 39.000 0.245 0.000 1.120 489 F HN 0.686 nan 8.300 nan 0.000 0.579 490 Y N 6.083 126.133 120.300 -0.415 0.000 2.465 490 Y HA 0.356 4.948 4.550 0.072 0.000 0.331 490 Y C 0.119 175.865 175.900 -0.256 0.000 1.102 490 Y CA 0.262 58.188 58.100 -0.290 0.000 1.358 490 Y CB 0.237 38.501 38.460 -0.327 0.000 1.213 490 Y HN 0.728 nan 8.280 nan 0.000 0.525 491 T N 3.635 117.686 114.554 -0.839 0.000 2.896 491 T HA 0.399 4.792 4.350 0.072 0.000 0.297 491 T C -2.352 171.673 174.700 -1.125 0.000 1.108 491 T CA -2.224 59.376 62.100 -0.834 0.000 1.004 491 T CB 2.029 70.846 68.868 -0.086 0.000 1.159 491 T HN 0.296 nan 8.240 nan 0.000 0.499 492 P HA -0.097 nan 4.420 nan 0.000 0.217 492 P C 1.103 178.262 177.300 -0.234 0.000 1.151 492 P CA 1.202 64.114 63.100 -0.314 0.000 0.849 492 P CB 0.055 31.691 31.700 -0.106 0.000 0.787 493 E N -0.913 119.181 120.200 -0.177 0.000 2.267 493 E HA -0.087 4.306 4.350 0.072 0.000 0.197 493 E C 2.167 178.670 176.600 -0.161 0.000 0.998 493 E CA 1.315 57.671 56.400 -0.073 0.000 0.830 493 E CB -1.324 28.421 29.700 0.075 0.000 0.751 493 E HN 0.260 nan 8.360 nan 0.000 0.491 494 G N 0.145 108.593 108.800 -0.587 0.000 2.509 494 G HA2 -0.185 3.818 3.960 0.072 0.000 0.218 494 G HA3 -0.185 3.818 3.960 0.072 0.000 0.218 494 G C 1.271 175.985 174.900 -0.309 0.000 1.124 494 G CA 0.209 44.721 45.100 -0.979 0.000 0.776 494 G HN 0.224 nan 8.290 nan 0.000 0.547 495 L N -0.330 120.774 121.223 -0.198 0.000 2.465 495 L HA 0.059 4.443 4.340 0.072 0.000 0.224 495 L C 2.812 179.616 176.870 -0.109 0.000 1.145 495 L CA 0.328 55.115 54.840 -0.088 0.000 0.834 495 L CB -0.180 41.858 42.059 -0.035 0.000 0.944 495 L HN 0.181 nan 8.230 nan 0.000 0.451 496 R N -0.892 119.497 120.500 -0.186 0.000 2.276 496 R HA -0.008 4.375 4.340 0.072 0.000 0.203 496 R C 0.662 176.642 176.300 -0.532 0.000 1.017 496 R CA 0.640 56.524 56.100 -0.361 0.000 1.010 496 R CB 0.033 30.048 30.300 -0.475 0.000 0.900 496 R HN 0.498 nan 8.270 nan 0.000 0.469 497 H N -1.078 117.990 119.070 -0.003 0.000 2.750 497 H HA 0.383 4.982 4.556 0.072 0.000 0.252 497 H C 0.540 175.902 175.328 0.057 0.000 1.176 497 H CA 0.360 56.432 56.048 0.040 0.000 0.987 497 H CB 1.362 31.174 29.762 0.082 0.000 1.810 497 H HN 0.295 nan 8.280 nan 0.000 0.630 498 G N 0.139 108.997 108.800 0.096 0.000 2.333 498 G HA2 0.161 4.164 3.960 0.072 0.000 0.288 498 G HA3 0.161 4.164 3.960 0.072 0.000 0.288 498 G C -1.416 173.519 174.900 0.057 0.000 1.286 498 G CA -0.700 44.458 45.100 0.096 0.000 0.865 498 G HN 0.022 nan 8.290 nan 0.000 0.506 499 T N 0.325 114.922 114.554 0.072 0.000 2.861 499 T HA 0.592 4.985 4.350 0.072 0.000 0.287 499 T C 0.069 174.801 174.700 0.053 0.000 1.003 499 T CA -0.617 61.517 62.100 0.058 0.000 0.977 499 T CB 1.973 70.886 68.868 0.075 0.000 0.996 499 T HN 0.655 nan 8.240 nan 0.000 0.448 500 R N 2.808 123.323 120.500 0.026 0.000 2.401 500 R HA 0.302 4.685 4.340 0.072 0.000 0.299 500 R C 0.279 176.536 176.300 -0.071 0.000 1.064 500 R CA -0.090 55.988 56.100 -0.037 0.000 1.000 500 R CB 0.094 30.293 30.300 -0.168 0.000 0.973 500 R HN 0.667 nan 8.270 nan 0.000 0.438 501 L N 2.793 123.977 121.223 -0.065 0.000 2.642 501 L HA 0.280 4.663 4.340 0.072 0.000 0.233 501 L C 0.956 177.764 176.870 -0.102 0.000 1.077 501 L CA -0.122 54.687 54.840 -0.052 0.000 0.879 501 L CB 0.152 42.216 42.059 0.009 0.000 1.151 501 L HN 0.664 nan 8.230 nan 0.000 0.495 502 H N -1.544 117.336 119.070 -0.318 0.000 2.950 502 H HA 0.144 4.743 4.556 0.072 0.000 0.272 502 H C 0.232 175.274 175.328 -0.477 0.000 1.495 502 H CA -0.031 55.724 56.048 -0.487 0.000 1.183 502 H CB 1.690 30.933 29.762 -0.864 0.000 1.867 502 H HN -0.286 nan 8.280 nan 0.000 0.597 503 T N 0.002 114.183 114.554 -0.622 0.000 2.665 503 T HA -0.145 4.248 4.350 0.072 0.000 0.268 503 T C 0.862 175.177 174.700 -0.643 0.000 1.035 503 T CA 1.477 63.185 62.100 -0.653 0.000 1.151 503 T CB -0.261 68.200 68.868 -0.678 0.000 0.862 503 T HN 0.434 nan 8.240 nan 0.000 0.438 504 H N -0.618 118.381 119.070 -0.118 0.000 2.512 504 H HA 0.486 5.085 4.556 0.072 0.000 0.276 504 H C -0.657 174.611 175.328 -0.101 0.000 1.126 504 H CA -0.440 55.519 56.048 -0.148 0.000 1.060 504 H CB 0.176 29.962 29.762 0.040 0.000 1.646 504 H HN 0.160 nan 8.280 nan 0.000 0.571 505 L N 1.621 122.849 121.223 0.008 0.000 2.376 505 L HA 0.424 4.807 4.340 0.072 0.000 0.275 505 L C -0.992 175.926 176.870 0.081 0.000 0.987 505 L CA -0.497 54.386 54.840 0.070 0.000 0.828 505 L CB 1.574 43.657 42.059 0.041 0.000 1.249 505 L HN -0.004 nan 8.230 nan 0.000 0.409 506 I N 4.071 124.727 120.570 0.143 0.000 2.354 506 I HA 0.382 4.595 4.170 0.072 0.000 0.292 506 I C 0.600 176.788 176.117 0.118 0.000 0.989 506 I CA -0.521 60.864 61.300 0.142 0.000 1.188 506 I CB 1.807 39.913 38.000 0.177 0.000 1.342 506 I HN 0.777 nan 8.210 nan 0.000 0.457 507 G N 5.484 114.345 108.800 0.102 0.000 2.391 507 G HA2 0.194 4.197 3.960 0.072 0.000 0.305 507 G HA3 0.194 4.197 3.960 0.072 0.000 0.305 507 G C -0.090 174.900 174.900 0.149 0.000 1.072 507 G CA -0.423 44.743 45.100 0.110 0.000 1.016 507 G HN 0.624 nan 8.290 nan 0.000 0.418 508 N N 1.196 120.012 118.700 0.194 0.000 2.492 508 N HA 0.072 4.855 4.740 0.072 0.000 0.262 508 N C 0.576 176.308 175.510 0.370 0.000 1.202 508 N CA -0.309 52.914 53.050 0.288 0.000 0.926 508 N CB 1.536 40.231 38.487 0.347 0.000 1.078 508 N HN 0.570 nan 8.380 nan 0.000 0.454 509 I N 3.405 124.124 120.570 0.248 0.000 2.752 509 I HA -0.026 4.187 4.170 0.072 0.000 0.287 509 I C -0.018 176.153 176.117 0.090 0.000 1.188 509 I CA 0.350 61.726 61.300 0.126 0.000 1.427 509 I CB 0.071 38.113 38.000 0.071 0.000 1.365 509 I HN 0.701 nan 8.210 nan 0.000 0.585 510 H N 2.847 121.766 119.070 -0.253 0.000 3.003 510 H HA 0.390 4.990 4.556 0.072 0.000 0.327 510 H C -1.666 173.439 175.328 -0.371 0.000 1.353 510 H CA -1.031 54.696 56.048 -0.534 0.000 1.142 510 H CB 0.962 29.934 29.762 -1.316 0.000 1.864 510 H HN 0.391 nan 8.280 nan 0.000 0.529 511 T N 2.163 116.497 114.554 -0.366 0.000 2.792 511 T HA 0.260 4.653 4.350 0.072 0.000 0.280 511 T C -0.301 174.201 174.700 -0.330 0.000 0.990 511 T CA -0.686 61.219 62.100 -0.325 0.000 0.960 511 T CB 0.703 69.444 68.868 -0.212 0.000 0.939 511 T HN 0.426 nan 8.240 nan 0.000 0.439 512 H N 3.127 121.976 119.070 -0.368 0.000 2.580 512 H HA 0.474 5.072 4.556 0.071 0.000 0.322 512 H C -0.418 174.802 175.328 -0.181 0.000 1.082 512 H CA -0.195 55.679 56.048 -0.290 0.000 1.383 512 H CB 1.074 30.498 29.762 -0.564 0.000 1.450 512 H HN 0.348 nan 8.280 nan 0.000 0.505 513 L N 3.063 124.353 121.223 0.111 0.000 2.422 513 L HA 0.452 4.835 4.340 0.072 0.000 0.264 513 L C -0.625 176.439 176.870 0.323 0.000 0.984 513 L CA -0.932 54.052 54.840 0.239 0.000 0.819 513 L CB 2.507 44.734 42.059 0.280 0.000 1.330 513 L HN 0.251 nan 8.230 nan 0.000 0.410 514 V N 0.920 121.017 119.914 0.304 0.000 2.709 514 V HA 0.416 4.579 4.120 0.072 0.000 0.308 514 V C -0.864 175.265 176.094 0.058 0.000 1.062 514 V CA -0.574 61.809 62.300 0.138 0.000 0.901 514 V CB 2.149 34.042 31.823 0.118 0.000 1.003 514 V HN 0.679 nan 8.190 nan 0.000 0.425 515 H N 3.269 122.042 119.070 -0.495 0.000 2.466 515 H HA 0.567 5.166 4.556 0.071 0.000 0.338 515 H C -1.760 173.340 175.328 -0.381 0.000 1.091 515 H CA -0.425 55.279 56.048 -0.574 0.000 1.207 515 H CB 1.546 30.445 29.762 -1.439 0.000 1.466 515 H HN 0.622 nan 8.280 nan 0.000 0.493 516 Y N 2.480 122.590 120.300 -0.316 0.000 2.429 516 Y HA 0.256 4.850 4.550 0.072 0.000 0.342 516 Y C 0.238 175.909 175.900 -0.382 0.000 1.004 516 Y CA -0.865 57.121 58.100 -0.189 0.000 1.075 516 Y CB 1.568 40.088 38.460 0.101 0.000 1.214 516 Y HN 0.480 nan 8.280 nan 0.000 0.455 517 R N 2.222 122.633 120.500 -0.148 0.000 2.255 517 R HA 0.643 5.026 4.340 0.072 0.000 0.326 517 R C -1.933 174.153 176.300 -0.358 0.000 0.986 517 R CA -0.427 55.383 56.100 -0.484 0.000 0.847 517 R CB 0.637 30.615 30.300 -0.536 0.000 1.111 517 R HN 0.568 nan 8.270 nan 0.000 0.452 518 V N 4.653 124.274 119.914 -0.489 0.000 2.276 518 V HA 0.097 4.261 4.120 0.072 0.000 0.268 518 V C -0.485 175.366 176.094 -0.407 0.000 1.032 518 V CA -0.760 61.310 62.300 -0.382 0.000 0.810 518 V CB 0.889 32.429 31.823 -0.471 0.000 1.060 518 V HN 0.736 nan 8.190 nan 0.000 0.446 519 D N 4.429 124.659 120.400 -0.284 0.000 2.551 519 D HA 0.221 4.904 4.640 0.072 0.000 0.223 519 D C 0.157 176.375 176.300 -0.136 0.000 1.144 519 D CA -0.005 53.893 54.000 -0.170 0.000 1.025 519 D CB 0.180 40.985 40.800 0.007 0.000 1.085 519 D HN 0.433 nan 8.370 nan 0.000 0.506 520 L N 2.433 123.511 121.223 -0.241 0.000 2.410 520 L HA 0.190 4.573 4.340 0.072 0.000 0.273 520 L C 0.178 176.996 176.870 -0.087 0.000 1.152 520 L CA 0.080 54.791 54.840 -0.215 0.000 0.855 520 L CB 0.647 42.484 42.059 -0.370 0.000 1.129 520 L HN 0.139 nan 8.230 nan 0.000 0.463 521 D N 2.746 123.117 120.400 -0.048 0.000 2.434 521 D HA 0.195 4.878 4.640 0.072 0.000 0.275 521 D C -0.497 175.813 176.300 0.017 0.000 1.172 521 D CA -0.200 53.799 54.000 -0.001 0.000 0.916 521 D CB 1.381 42.185 40.800 0.006 0.000 1.041 521 D HN 0.021 nan 8.370 nan 0.000 0.501 522 V N 1.549 121.510 119.914 0.079 0.000 2.421 522 V HA 0.294 4.457 4.120 0.072 0.000 0.271 522 V C 1.277 177.505 176.094 0.222 0.000 1.031 522 V CA -0.055 62.350 62.300 0.176 0.000 1.032 522 V CB 0.209 32.206 31.823 0.290 0.000 1.009 522 V HN 0.739 nan 8.190 nan 0.000 0.477 523 A N 3.711 126.689 122.820 0.262 0.000 2.826 523 A HA 0.100 4.464 4.320 0.072 0.000 0.274 523 A C 1.096 178.717 177.584 0.063 0.000 1.443 523 A CA 1.251 53.381 52.037 0.155 0.000 0.833 523 A CB -1.508 17.517 19.000 0.041 0.000 1.023 523 A HN 2.663 nan 8.150 nan 0.000 0.600 524 G N -4.242 104.587 108.800 0.049 0.000 2.357 524 G HA2 0.396 4.399 3.960 0.072 0.000 0.643 524 G HA3 0.396 4.399 3.960 0.072 0.000 0.643 524 G C 0.262 175.174 174.900 0.020 0.000 1.358 524 G CA 0.292 45.408 45.100 0.026 0.000 0.986 524 G HN 1.159 nan 8.290 nan 0.000 0.620 525 T N 0.171 114.722 114.554 -0.004 0.000 2.857 525 T HA 0.062 4.455 4.350 0.072 0.000 0.266 525 T C 1.125 175.823 174.700 -0.003 0.000 1.048 525 T CA 1.437 63.518 62.100 -0.033 0.000 1.139 525 T CB -0.105 68.717 68.868 -0.076 0.000 0.874 525 T HN 0.444 nan 8.240 nan 0.000 0.455 526 K N 2.281 122.691 120.400 0.017 0.000 2.234 526 K HA 0.424 4.787 4.320 0.072 0.000 0.277 526 K C -0.678 175.961 176.600 0.065 0.000 1.038 526 K CA -0.166 56.142 56.287 0.035 0.000 0.888 526 K CB 0.985 33.499 32.500 0.024 0.000 1.091 526 K HN 0.283 nan 8.250 nan 0.000 0.467 527 N N 0.060 118.817 118.700 0.096 0.000 2.509 527 N HA 0.399 5.182 4.740 0.072 0.000 0.280 527 N C -1.218 174.374 175.510 0.136 0.000 1.306 527 N CA -0.744 52.389 53.050 0.139 0.000 0.782 527 N CB 2.014 40.629 38.487 0.214 0.000 1.493 527 N HN 0.270 nan 8.380 nan 0.000 0.498 528 S N -0.078 115.708 115.700 0.144 0.000 2.715 528 S HA 0.586 5.099 4.470 0.072 0.000 0.307 528 S C -1.722 172.968 174.600 0.151 0.000 1.119 528 S CA -0.541 57.736 58.200 0.129 0.000 0.937 528 S CB 1.211 64.454 63.200 0.071 0.000 1.150 528 S HN 0.435 nan 8.310 nan 0.000 0.521 529 F N 2.584 122.483 119.950 -0.084 0.000 2.518 529 F HA 0.587 5.158 4.527 0.072 0.000 0.323 529 F C -0.658 175.062 175.800 -0.133 0.000 1.129 529 F CA -0.460 57.358 58.000 -0.303 0.000 0.920 529 F CB 1.120 39.856 39.000 -0.440 0.000 1.160 529 F HN 0.644 nan 8.300 nan 0.000 0.440 530 Q N 2.876 122.155 119.800 -0.868 0.000 2.501 530 Q HA 0.755 5.138 4.340 0.072 0.000 0.288 530 Q C -1.554 173.997 176.000 -0.748 0.000 1.051 530 Q CA -1.125 54.323 55.803 -0.591 0.000 0.788 530 Q CB 2.415 31.040 28.738 -0.189 0.000 1.469 530 Q HN 0.657 nan 8.270 nan 0.000 0.416 531 T N -0.846 113.531 114.554 -0.296 0.000 2.924 531 T HA 0.765 5.158 4.350 0.072 0.000 0.291 531 T C -0.510 174.157 174.700 -0.055 0.000 1.045 531 T CA -0.869 61.124 62.100 -0.177 0.000 1.015 531 T CB 1.004 69.865 68.868 -0.012 0.000 1.103 531 T HN 0.535 nan 8.240 nan 0.000 0.496 532 L N 0.967 122.167 121.223 -0.038 0.000 2.362 532 L HA 0.829 5.212 4.340 0.072 0.000 0.271 532 L C 0.157 177.031 176.870 0.006 0.000 1.002 532 L CA -0.967 53.842 54.840 -0.052 0.000 0.818 532 L CB 1.648 43.593 42.059 -0.191 0.000 1.298 532 L HN 1.034 nan 8.230 nan 0.000 0.420 533 Q N 3.037 122.836 119.800 -0.001 0.000 2.423 533 Q HA 0.631 5.014 4.340 0.072 0.000 0.278 533 Q C -0.970 175.031 176.000 0.003 0.000 1.097 533 Q CA -0.780 55.039 55.803 0.028 0.000 0.809 533 Q CB 2.921 31.687 28.738 0.046 0.000 1.391 533 Q HN 0.642 nan 8.270 nan 0.000 0.428 534 M N 1.777 121.388 119.600 0.017 0.000 2.185 534 M HA 0.454 4.977 4.480 0.072 0.000 0.357 534 M C -1.304 175.007 176.300 0.019 0.000 1.260 534 M CA -0.096 55.211 55.300 0.011 0.000 1.124 534 M CB 0.624 33.236 32.600 0.021 0.000 1.600 534 M HN 0.524 nan 8.290 nan 0.000 0.467 535 K N 5.107 125.515 120.400 0.014 0.000 2.371 535 K HA 0.649 5.012 4.320 0.072 0.000 0.251 535 K C -0.694 175.915 176.600 0.015 0.000 0.934 535 K CA -0.683 55.614 56.287 0.016 0.000 0.798 535 K CB 2.240 34.748 32.500 0.015 0.000 1.204 535 K HN 0.843 nan 8.250 nan 0.000 0.427 536 L N 2.907 124.140 121.223 0.016 0.000 2.371 536 L HA 0.407 4.790 4.340 0.072 0.000 0.272 536 L C 0.886 177.764 176.870 0.012 0.000 1.124 536 L CA -0.074 54.775 54.840 0.015 0.000 0.816 536 L CB 0.786 42.855 42.059 0.016 0.000 1.129 536 L HN 0.796 nan 8.230 nan 0.000 0.448 537 E N 1.976 122.183 120.200 0.012 0.000 2.263 537 E HA 0.368 4.761 4.350 0.072 0.000 0.264 537 E C -1.101 175.503 176.600 0.008 0.000 0.923 537 E CA -0.988 55.418 56.400 0.009 0.000 0.802 537 E CB 2.084 31.789 29.700 0.009 0.000 1.228 537 E HN 0.368 nan 8.360 nan 0.000 0.417 538 N N 2.538 121.240 118.700 0.004 0.000 2.573 538 N HA 0.299 5.082 4.740 0.072 0.000 0.262 538 N C -1.197 174.310 175.510 -0.005 0.000 1.029 538 N CA -0.663 52.386 53.050 -0.000 0.000 0.882 538 N CB 0.692 39.178 38.487 -0.001 0.000 1.204 538 N HN 0.709 nan 8.380 nan 0.000 0.519 539 I N -1.072 119.494 120.570 -0.008 0.000 2.957 539 I HA 0.630 4.843 4.170 0.072 0.000 0.310 539 I C -0.100 176.001 176.117 -0.027 0.000 1.063 539 I CA -0.835 60.458 61.300 -0.012 0.000 1.033 539 I CB 1.780 39.777 38.000 -0.004 0.000 1.230 539 I HN 0.067 nan 8.210 nan 0.000 0.447 540 T N 2.747 117.281 114.554 -0.033 0.000 2.853 540 T HA 0.015 4.408 4.350 0.072 0.000 0.298 540 T C 0.392 175.047 174.700 -0.075 0.000 0.978 540 T CA -0.027 62.041 62.100 -0.054 0.000 1.152 540 T CB -0.342 68.498 68.868 -0.047 0.000 0.914 540 T HN 0.596 nan 8.240 nan 0.000 0.539 541 N N 4.948 123.570 118.700 -0.131 0.000 2.417 541 N HA -0.015 4.768 4.740 0.072 0.000 0.272 541 N C -1.341 174.022 175.510 -0.244 0.000 1.304 541 N CA -1.814 51.082 53.050 -0.257 0.000 0.906 541 N CB 0.980 39.202 38.487 -0.442 0.000 1.135 541 N HN 0.293 nan 8.380 nan 0.000 0.483 542 P HA -0.022 nan 4.420 nan 0.000 0.230 542 P C 0.617 177.973 177.300 0.093 0.000 1.158 542 P CA 0.970 64.078 63.100 0.014 0.000 0.769 542 P CB -0.123 31.639 31.700 0.102 0.000 0.807 543 W N -1.742 119.571 121.300 0.021 0.000 2.846 543 W HA 0.578 5.281 4.660 0.072 0.000 0.391 543 W C -0.507 176.031 176.519 0.032 0.000 1.011 543 W CA -0.430 56.927 57.345 0.019 0.000 1.832 543 W CB -0.204 29.260 29.460 0.007 0.000 1.151 543 W HN -0.083 nan 8.180 nan 0.000 0.582 544 S N 1.829 117.347 115.700 -0.303 0.000 2.689 544 S HA 0.282 4.796 4.470 0.072 0.000 0.151 544 S C -2.017 172.505 174.600 -0.131 0.000 1.155 544 S CA -0.535 57.533 58.200 -0.219 0.000 1.144 544 S CB 0.526 63.429 63.200 -0.494 0.000 1.526 544 S HN -0.274 nan 8.310 nan 0.000 0.419 545 P HA -0.043 nan 4.420 nan 0.000 0.221 545 P C 1.099 178.334 177.300 -0.109 0.000 1.145 545 P CA 0.785 63.838 63.100 -0.078 0.000 0.795 545 P CB 0.042 31.715 31.700 -0.044 0.000 0.775 546 R N -1.958 118.453 120.500 -0.148 0.000 2.276 546 R HA 0.028 4.411 4.340 0.072 0.000 0.203 546 R C 0.346 176.347 176.300 -0.497 0.000 1.017 546 R CA 0.471 56.387 56.100 -0.307 0.000 1.010 546 R CB -0.420 29.657 30.300 -0.372 0.000 0.900 546 R HN 0.453 nan 8.270 nan 0.000 0.469 547 H N -0.586 118.393 119.070 -0.152 0.000 2.676 547 H HA 0.407 5.006 4.556 0.072 0.000 0.352 547 H C -0.072 175.162 175.328 -0.156 0.000 1.193 547 H CA -0.823 55.130 56.048 -0.158 0.000 1.243 547 H CB 0.945 30.579 29.762 -0.212 0.000 1.751 547 H HN -0.286 nan 8.280 nan 0.000 0.567 548 R N 0.555 121.059 120.500 0.006 0.000 2.732 548 R HA 0.507 4.890 4.340 0.072 0.000 0.278 548 R C -1.132 175.147 176.300 -0.036 0.000 0.976 548 R CA -1.048 55.034 56.100 -0.030 0.000 0.963 548 R CB 1.913 32.202 30.300 -0.018 0.000 1.150 548 R HN 0.317 nan 8.270 nan 0.000 0.478 549 V N 2.386 122.279 119.914 -0.035 0.000 2.357 549 V HA 0.280 4.443 4.120 0.072 0.000 0.284 549 V C -0.316 175.779 176.094 0.001 0.000 1.018 549 V CA -0.745 61.548 62.300 -0.012 0.000 0.841 549 V CB 1.868 33.690 31.823 -0.001 0.000 0.991 549 V HN 0.391 nan 8.190 nan 0.000 0.437 550 V N 7.011 126.930 119.914 0.008 0.000 2.334 550 V HA 0.569 4.732 4.120 0.072 0.000 0.281 550 V C -0.100 176.004 176.094 0.017 0.000 1.016 550 V CA -0.304 62.002 62.300 0.011 0.000 0.832 550 V CB 1.203 33.032 31.823 0.010 0.000 0.999 550 V HN 1.045 nan 8.190 nan 0.000 0.439 551 Q N 5.146 124.957 119.800 0.018 0.000 2.511 551 Q HA 0.654 5.037 4.340 0.072 0.000 0.289 551 Q C -3.152 172.859 176.000 0.019 0.000 1.021 551 Q CA -2.341 53.475 55.803 0.022 0.000 0.785 551 Q CB 2.595 31.350 28.738 0.028 0.000 1.472 551 Q HN 0.314 nan 8.270 nan 0.000 0.411 552 P HA 0.063 nan 4.420 nan 0.000 0.268 552 P C -0.802 176.505 177.300 0.011 0.000 1.204 552 P CA 0.379 63.488 63.100 0.015 0.000 0.768 552 P CB 0.756 32.464 31.700 0.014 0.000 0.842 553 T N 0.516 115.075 114.554 0.008 0.000 2.916 553 T HA 0.567 4.960 4.350 0.072 0.000 0.292 553 T C -0.735 173.963 174.700 -0.003 0.000 1.064 553 T CA -0.980 61.123 62.100 0.005 0.000 1.011 553 T CB 0.859 69.731 68.868 0.008 0.000 1.152 553 T HN 0.100 nan 8.240 nan 0.000 0.510 554 L N 1.686 122.905 121.223 -0.006 0.000 2.265 554 L HA 0.543 4.926 4.340 0.072 0.000 0.288 554 L C 0.034 176.898 176.870 -0.010 0.000 1.058 554 L CA -0.264 54.565 54.840 -0.019 0.000 0.809 554 L CB 0.456 42.504 42.059 -0.019 0.000 1.179 554 L HN 0.912 nan 8.230 nan 0.000 0.429 555 E N 4.521 124.713 120.200 -0.014 0.000 2.176 555 E HA 0.277 4.670 4.350 0.072 0.000 0.267 555 E C -1.375 175.218 176.600 -0.011 0.000 0.893 555 E CA -0.582 55.815 56.400 -0.006 0.000 0.761 555 E CB 1.276 30.977 29.700 0.002 0.000 1.133 555 E HN 0.716 nan 8.360 nan 0.000 0.409 556 Q N 2.847 122.641 119.800 -0.010 0.000 2.293 556 Q HA 0.346 4.729 4.340 0.072 0.000 0.261 556 Q C -1.374 174.614 176.000 -0.020 0.000 0.960 556 Q CA -0.482 55.313 55.803 -0.014 0.000 0.882 556 Q CB 1.747 30.482 28.738 -0.005 0.000 1.275 556 Q HN 0.412 nan 8.270 nan 0.000 0.445 557 T N 4.205 118.750 114.554 -0.015 0.000 2.792 557 T HA 0.338 4.731 4.350 0.072 0.000 0.280 557 T C -0.883 173.780 174.700 -0.062 0.000 0.990 557 T CA -0.783 61.278 62.100 -0.066 0.000 0.960 557 T CB 1.342 70.167 68.868 -0.072 0.000 0.939 557 T HN 0.486 nan 8.240 nan 0.000 0.439 558 Q N 1.958 121.678 119.800 -0.133 0.000 2.214 558 Q HA 0.456 4.839 4.340 0.072 0.000 0.251 558 Q C -1.179 174.705 176.000 -0.194 0.000 0.936 558 Q CA -0.496 55.273 55.803 -0.057 0.000 0.894 558 Q CB 1.286 29.993 28.738 -0.053 0.000 1.252 558 Q HN 0.645 nan 8.270 nan 0.000 0.448 559 Y N -0.552 119.725 120.300 -0.038 0.000 2.361 559 Y HA 0.255 4.849 4.550 0.072 0.000 0.337 559 Y C 0.813 176.677 175.900 -0.060 0.000 0.965 559 Y CA -0.484 57.634 58.100 0.029 0.000 1.091 559 Y CB 2.139 40.728 38.460 0.215 0.000 1.182 559 Y HN 0.539 nan 8.280 nan 0.000 0.450 560 S N 1.350 116.997 115.700 -0.088 0.000 2.499 560 S HA 0.114 4.627 4.470 0.072 0.000 0.225 560 S C -0.640 173.573 174.600 -0.644 0.000 1.050 560 S CA 0.093 57.991 58.200 -0.503 0.000 0.928 560 S CB 0.265 62.947 63.200 -0.862 0.000 0.803 560 S HN 0.626 nan 8.310 nan 0.000 0.506 561 W N 1.462 122.822 121.300 0.100 0.000 2.844 561 W HA 0.500 5.203 4.660 0.071 0.000 0.340 561 W C 0.815 177.375 176.519 0.070 0.000 1.093 561 W CA -0.878 56.507 57.345 0.066 0.000 1.212 561 W CB 0.730 30.208 29.460 0.029 0.000 1.422 561 W HN -0.087 nan 8.180 nan 0.000 0.515 562 E N 0.567 120.937 120.200 0.284 0.000 2.086 562 E HA -0.350 4.043 4.350 0.072 0.000 0.205 562 E C 2.047 178.703 176.600 0.094 0.000 1.027 562 E CA 1.856 58.345 56.400 0.148 0.000 0.830 562 E CB 0.007 29.769 29.700 0.103 0.000 0.751 562 E HN 0.258 nan 8.360 nan 0.000 0.456 563 R N 1.332 121.892 120.500 0.100 0.000 2.127 563 R HA -0.163 4.220 4.340 0.072 0.000 0.238 563 R C 1.933 178.252 176.300 0.032 0.000 1.134 563 R CA 1.669 57.791 56.100 0.035 0.000 0.975 563 R CB -0.270 30.047 30.300 0.028 0.000 0.865 563 R HN 0.271 nan 8.270 nan 0.000 0.447 564 Q N -1.095 118.778 119.800 0.122 0.000 2.224 564 Q HA 0.002 4.386 4.340 0.072 0.000 0.203 564 Q C 1.307 177.361 176.000 0.089 0.000 0.970 564 Q CA 1.437 57.320 55.803 0.133 0.000 0.865 564 Q CB 0.038 28.914 28.738 0.231 0.000 0.922 564 Q HN 0.428 nan 8.270 nan 0.000 0.445 565 A N 0.211 123.057 122.820 0.043 0.000 2.387 565 A HA 0.457 4.820 4.320 0.072 0.000 0.234 565 A C 0.604 178.006 177.584 -0.304 0.000 1.253 565 A CA -0.049 51.882 52.037 -0.177 0.000 0.894 565 A CB 0.354 19.311 19.000 -0.072 0.000 0.963 565 A HN 0.189 nan 8.150 nan 0.000 0.508 566 A N 0.432 123.083 122.820 -0.282 0.000 2.506 566 A HA 0.623 4.986 4.320 0.072 0.000 0.320 566 A C -0.759 176.770 177.584 -0.091 0.000 1.424 566 A CA -0.361 51.542 52.037 -0.224 0.000 1.044 566 A CB -0.761 18.023 19.000 -0.360 0.000 1.140 566 A HN 0.270 nan 8.150 nan 0.000 0.538 567 F N 2.329 122.385 119.950 0.175 0.000 2.421 567 F HA 0.341 4.911 4.527 0.071 0.000 0.358 567 F C 1.223 177.146 175.800 0.205 0.000 1.115 567 F CA 0.128 58.238 58.000 0.183 0.000 1.160 567 F CB 0.932 39.996 39.000 0.107 0.000 1.123 567 F HN 0.525 nan 8.300 nan 0.000 0.508 568 R N 2.335 123.008 120.500 0.289 0.000 2.583 568 R HA 0.269 4.652 4.340 0.072 0.000 0.268 568 R C 0.739 177.061 176.300 0.036 0.000 1.101 568 R CA -0.582 55.576 56.100 0.097 0.000 1.180 568 R CB 0.530 30.892 30.300 0.104 0.000 1.128 568 R HN 0.614 nan 8.270 nan 0.000 0.568 569 F N 1.207 121.212 119.950 0.091 0.000 2.407 569 F HA -0.135 4.435 4.527 0.071 0.000 0.299 569 F C 2.692 178.538 175.800 0.077 0.000 1.097 569 F CA 1.509 59.558 58.000 0.080 0.000 1.422 569 F CB -0.163 38.857 39.000 0.033 0.000 1.067 569 F HN 0.654 nan 8.300 nan 0.000 0.539 570 K N 1.200 121.736 120.400 0.227 0.000 2.009 570 K HA -0.014 4.349 4.320 0.072 0.000 0.210 570 K C 1.550 178.241 176.600 0.153 0.000 1.049 570 K CA 1.467 57.848 56.287 0.157 0.000 0.929 570 K CB -1.754 30.817 32.500 0.117 0.000 0.714 570 K HN 0.290 nan 8.250 nan 0.000 0.440 571 R N 0.898 121.498 120.500 0.167 0.000 2.537 571 R HA 0.518 4.901 4.340 0.072 0.000 0.280 571 R C 0.714 177.123 176.300 0.181 0.000 1.058 571 R CA 0.323 56.530 56.100 0.179 0.000 1.057 571 R CB -1.290 29.148 30.300 0.230 0.000 0.973 571 R HN 1.069 nan 8.270 nan 0.000 0.438 572 K N 2.038 122.528 120.400 0.150 0.000 2.326 572 K HA 0.510 4.873 4.320 0.072 0.000 0.275 572 K C 0.057 176.728 176.600 0.119 0.000 1.018 572 K CA -0.439 55.921 56.287 0.123 0.000 0.962 572 K CB 0.756 33.313 32.500 0.095 0.000 0.953 572 K HN 0.619 nan 8.250 nan 0.000 0.475 573 L N 3.788 125.047 121.223 0.059 0.000 2.367 573 L HA 0.320 4.703 4.340 0.072 0.000 0.275 573 L C -1.942 174.899 176.870 -0.047 0.000 1.129 573 L CA -1.931 52.877 54.840 -0.054 0.000 0.839 573 L CB 0.836 42.837 42.059 -0.096 0.000 1.133 573 L HN 0.615 nan 8.230 nan 0.000 0.453 574 P HA 0.082 nan 4.420 nan 0.000 0.267 574 P C 0.089 177.368 177.300 -0.035 0.000 1.200 574 P CA -0.247 62.847 63.100 -0.009 0.000 0.772 574 P CB 0.473 32.185 31.700 0.018 0.000 0.855 575 K N 0.857 121.277 120.400 0.032 0.000 2.148 575 K HA -0.063 4.300 4.320 0.072 0.000 0.204 575 K C 0.202 176.745 176.600 -0.095 0.000 1.050 575 K CA 1.512 57.809 56.287 0.016 0.000 0.942 575 K CB -0.297 32.283 32.500 0.134 0.000 0.724 575 K HN 0.508 nan 8.250 nan 0.000 0.446 576 Y N 0.607 120.831 120.300 -0.126 0.000 2.345 576 Y HA 0.321 4.914 4.550 0.072 0.000 0.331 576 Y C -0.192 175.581 175.900 -0.211 0.000 0.959 576 Y CA -0.689 57.288 58.100 -0.203 0.000 1.204 576 Y CB 0.995 39.275 38.460 -0.300 0.000 1.135 576 Y HN -0.207 nan 8.280 nan 0.000 0.477 577 L N 6.117 127.282 121.223 -0.097 0.000 2.277 577 L HA 0.508 4.891 4.340 0.072 0.000 0.284 577 L C -0.861 176.016 176.870 0.012 0.000 1.028 577 L CA -0.287 54.533 54.840 -0.033 0.000 0.835 577 L CB 0.569 42.668 42.059 0.067 0.000 1.215 577 L HN 0.455 nan 8.230 nan 0.000 0.425 578 L N 3.496 124.602 121.223 -0.195 0.000 2.341 578 L HA 0.541 4.924 4.340 0.072 0.000 0.278 578 L C -0.918 175.859 176.870 -0.156 0.000 1.005 578 L CA -0.421 54.365 54.840 -0.090 0.000 0.818 578 L CB 1.854 43.824 42.059 -0.148 0.000 1.259 578 L HN 0.328 nan 8.230 nan 0.000 0.418 579 F N 0.964 121.039 119.950 0.207 0.000 2.388 579 F HA 0.446 5.017 4.527 0.072 0.000 0.358 579 F C 0.706 176.629 175.800 0.205 0.000 1.122 579 F CA -0.664 57.476 58.000 0.234 0.000 1.056 579 F CB 1.921 41.041 39.000 0.201 0.000 1.155 579 F HN 0.349 nan 8.300 nan 0.000 0.461 580 T N -0.734 113.979 114.554 0.264 0.000 2.918 580 T HA 0.615 5.008 4.350 0.072 0.000 0.286 580 T C -0.264 174.545 174.700 0.182 0.000 1.026 580 T CA -0.861 61.365 62.100 0.209 0.000 1.031 580 T CB 1.829 70.774 68.868 0.128 0.000 1.046 580 T HN 0.452 nan 8.240 nan 0.000 0.479 581 S N 1.669 117.462 115.700 0.155 0.000 2.565 581 S HA 0.521 5.034 4.470 0.072 0.000 0.290 581 S C -1.686 172.946 174.600 0.054 0.000 1.150 581 S CA -2.056 56.201 58.200 0.095 0.000 1.058 581 S CB 0.942 64.181 63.200 0.066 0.000 1.032 581 S HN 0.639 nan 8.310 nan 0.000 0.510 582 P HA -0.033 nan 4.420 nan 0.000 0.226 582 P C -0.234 177.059 177.300 -0.011 0.000 1.153 582 P CA 0.641 63.748 63.100 0.012 0.000 0.777 582 P CB -0.058 31.645 31.700 0.006 0.000 0.794 583 Q N 0.678 120.461 119.800 -0.028 0.000 2.361 583 Q HA 0.090 4.473 4.340 0.072 0.000 0.276 583 Q C 0.119 176.079 176.000 -0.067 0.000 1.022 583 Q CA 0.539 56.303 55.803 -0.064 0.000 0.898 583 Q CB 0.443 29.119 28.738 -0.104 0.000 1.246 583 Q HN 0.319 nan 8.270 nan 0.000 0.410 584 E N 1.755 121.907 120.200 -0.081 0.000 2.212 584 E HA 0.128 4.521 4.350 0.072 0.000 0.270 584 E C -0.393 176.132 176.600 -0.124 0.000 0.956 584 E CA -0.818 55.536 56.400 -0.077 0.000 0.825 584 E CB 1.003 30.657 29.700 -0.076 0.000 1.167 584 E HN 0.540 nan 8.360 nan 0.000 0.400 585 N N 1.539 120.174 118.700 -0.108 0.000 2.327 585 N HA 0.101 4.884 4.740 0.072 0.000 0.257 585 N C -2.149 173.181 175.510 -0.300 0.000 1.281 585 N CA -1.485 51.460 53.050 -0.176 0.000 0.942 585 N CB -0.322 38.115 38.487 -0.083 0.000 1.199 585 N HN 0.054 nan 8.380 nan 0.000 0.532 586 P HA 0.034 nan 4.420 nan 0.000 0.234 586 P C -0.102 176.639 177.300 -0.931 0.000 1.167 586 P CA 1.098 63.678 63.100 -0.867 0.000 0.763 586 P CB -0.139 30.820 31.700 -1.234 0.000 0.835 587 W N -1.778 119.521 121.300 -0.002 0.000 3.132 587 W HA 0.461 5.164 4.660 0.072 0.000 0.364 587 W C 1.140 177.637 176.519 -0.037 0.000 1.129 587 W CA 0.024 57.378 57.345 0.016 0.000 1.815 587 W CB -0.099 29.405 29.460 0.073 0.000 1.099 587 W HN -0.058 nan 8.180 nan 0.000 0.605 588 G N 0.230 109.030 108.800 0.001 0.000 2.157 588 G HA2 -0.234 3.769 3.960 0.072 0.000 0.239 588 G HA3 -0.234 3.769 3.960 0.072 0.000 0.239 588 G C -0.064 174.695 174.900 -0.235 0.000 0.982 588 G CA -0.390 44.632 45.100 -0.130 0.000 0.650 588 G HN 0.396 nan 8.290 nan 0.000 0.527 589 H N 0.411 119.500 119.070 0.032 0.000 2.472 589 H HA 0.384 4.983 4.556 0.072 0.000 0.338 589 H C 0.365 175.701 175.328 0.014 0.000 1.133 589 H CA -0.528 55.538 56.048 0.029 0.000 1.216 589 H CB 1.292 31.071 29.762 0.028 0.000 1.497 589 H HN 0.145 nan 8.280 nan 0.000 0.500 590 K N 2.472 122.964 120.400 0.154 0.000 2.451 590 K HA 0.054 4.417 4.320 0.072 0.000 0.280 590 K C 0.281 176.952 176.600 0.118 0.000 1.020 590 K CA 0.036 56.383 56.287 0.101 0.000 1.008 590 K CB 0.733 33.297 32.500 0.106 0.000 0.917 590 K HN 0.338 nan 8.250 nan 0.000 0.478 591 R N 1.773 122.299 120.500 0.045 0.000 2.449 591 R HA 0.055 4.438 4.340 0.072 0.000 0.296 591 R C 0.063 176.499 176.300 0.226 0.000 1.047 591 R CA 0.045 56.166 56.100 0.035 0.000 1.018 591 R CB 0.491 30.651 30.300 -0.232 0.000 0.962 591 R HN 0.738 nan 8.270 nan 0.000 0.428 592 S N 2.046 117.970 115.700 0.373 0.000 2.625 592 S HA 0.447 4.960 4.470 0.072 0.000 0.271 592 S C -1.593 173.249 174.600 0.404 0.000 1.161 592 S CA -0.961 57.492 58.200 0.421 0.000 0.820 592 S CB 1.237 64.648 63.200 0.351 0.000 1.137 592 S HN 0.484 nan 8.310 nan 0.000 0.470 593 Y N 0.591 121.050 120.300 0.265 0.000 2.409 593 Y HA 0.629 5.223 4.550 0.072 0.000 0.343 593 Y C 0.333 176.371 175.900 0.231 0.000 0.973 593 Y CA -0.619 57.585 58.100 0.174 0.000 1.064 593 Y CB 1.921 40.404 38.460 0.039 0.000 1.207 593 Y HN 0.842 nan 8.280 nan 0.000 0.452 594 R N 4.071 124.701 120.500 0.216 0.000 2.407 594 R HA 0.540 4.923 4.340 0.072 0.000 0.303 594 R C -1.787 174.612 176.300 0.165 0.000 0.981 594 R CA -0.874 55.307 56.100 0.135 0.000 0.905 594 R CB 0.960 31.239 30.300 -0.035 0.000 1.099 594 R HN 0.670 nan 8.270 nan 0.000 0.459 595 L N 3.552 124.882 121.223 0.177 0.000 2.282 595 L HA 0.371 4.754 4.340 0.072 0.000 0.288 595 L C -1.084 175.808 176.870 0.036 0.000 1.033 595 L CA 0.096 55.008 54.840 0.120 0.000 0.807 595 L CB 1.581 43.714 42.059 0.124 0.000 1.209 595 L HN 0.695 nan 8.230 nan 0.000 0.423 596 Q N 5.085 124.914 119.800 0.049 0.000 2.290 596 Q HA 0.528 4.911 4.340 0.072 0.000 0.269 596 Q C -1.573 174.482 176.000 0.093 0.000 1.016 596 Q CA -0.484 55.325 55.803 0.009 0.000 0.754 596 Q CB 1.454 30.171 28.738 -0.036 0.000 1.247 596 Q HN 0.780 nan 8.270 nan 0.000 0.451 597 I N 3.018 123.635 120.570 0.077 0.000 2.331 597 I HA 0.209 4.422 4.170 0.072 0.000 0.292 597 I C -0.469 175.735 176.117 0.144 0.000 0.998 597 I CA -0.693 60.692 61.300 0.141 0.000 1.267 597 I CB 1.072 39.132 38.000 0.100 0.000 1.386 597 I HN 0.626 nan 8.210 nan 0.000 0.476 598 H N 5.382 124.501 119.070 0.082 0.000 2.661 598 H HA 0.576 5.175 4.556 0.072 0.000 0.290 598 H C -0.780 174.596 175.328 0.080 0.000 1.082 598 H CA 0.067 56.143 56.048 0.046 0.000 1.234 598 H CB 0.858 30.617 29.762 -0.005 0.000 1.387 598 H HN 0.566 nan 8.280 nan 0.000 0.476 599 S N 3.768 119.356 115.700 -0.186 0.000 2.565 599 S HA 0.321 4.834 4.470 0.072 0.000 0.269 599 S C -0.454 174.108 174.600 -0.063 0.000 1.153 599 S CA -0.765 57.419 58.200 -0.025 0.000 0.835 599 S CB 1.066 64.359 63.200 0.155 0.000 1.122 599 S HN 0.692 nan 8.310 nan 0.000 0.462 600 M N 2.426 122.041 119.600 0.024 0.000 2.496 600 M HA 0.457 4.980 4.480 0.072 0.000 0.330 600 M C 0.346 176.654 176.300 0.013 0.000 1.133 600 M CA -0.039 55.271 55.300 0.017 0.000 0.964 600 M CB 0.719 33.338 32.600 0.031 0.000 1.401 600 M HN 0.626 nan 8.290 nan 0.000 0.520 601 A N 0.452 123.291 122.820 0.031 0.000 2.366 601 A HA 0.470 4.833 4.320 0.072 0.000 0.249 601 A C -0.224 177.022 177.584 -0.562 0.000 1.084 601 A CA 0.085 52.032 52.037 -0.150 0.000 0.794 601 A CB 0.361 19.367 19.000 0.010 0.000 1.034 601 A HN 0.318 nan 8.150 nan 0.000 0.491 602 D N -1.201 118.695 120.400 -0.841 0.000 2.652 602 D HA 0.400 5.083 4.640 0.072 0.000 0.285 602 D C -0.851 174.849 176.300 -0.999 0.000 1.173 602 D CA -0.407 53.005 54.000 -0.981 0.000 0.981 602 D CB 1.400 41.970 40.800 -0.382 0.000 1.440 602 D HN 0.421 nan 8.370 nan 0.000 0.485 603 Q N 0.475 119.964 119.800 -0.518 0.000 2.286 603 Q HA 0.259 4.642 4.340 0.072 0.000 0.267 603 Q C -0.074 175.821 176.000 -0.174 0.000 1.028 603 Q CA 0.367 56.056 55.803 -0.189 0.000 0.901 603 Q CB 1.055 29.786 28.738 -0.011 0.000 1.183 603 Q HN 0.256 nan 8.270 nan 0.000 0.392 604 V N 4.243 124.063 119.914 -0.157 0.000 2.521 604 V HA 0.134 4.297 4.120 0.072 0.000 0.239 604 V C 0.653 176.697 176.094 -0.084 0.000 1.053 604 V CA 0.517 62.739 62.300 -0.130 0.000 1.073 604 V CB -0.066 31.671 31.823 -0.144 0.000 0.746 604 V HN 0.638 nan 8.190 nan 0.000 0.476 605 L N 0.961 122.138 121.223 -0.077 0.000 2.344 605 L HA 0.421 4.804 4.340 0.072 0.000 0.272 605 L C -2.512 174.351 176.870 -0.011 0.000 1.035 605 L CA -1.829 52.995 54.840 -0.027 0.000 0.807 605 L CB 1.180 43.228 42.059 -0.017 0.000 1.237 605 L HN 0.090 nan 8.230 nan 0.000 0.442 606 P HA 0.139 nan 4.420 nan 0.000 0.271 606 P C -2.472 174.870 177.300 0.070 0.000 1.233 606 P CA -1.073 62.046 63.100 0.033 0.000 0.764 606 P CB 0.007 31.718 31.700 0.017 0.000 0.825 607 P HA 0.029 nan 4.420 nan 0.000 0.261 607 P C 1.103 178.449 177.300 0.076 0.000 1.183 607 P CA 1.346 64.460 63.100 0.023 0.000 0.761 607 P CB 0.093 31.792 31.700 -0.001 0.000 0.785 608 G N 2.012 110.858 108.800 0.076 0.000 2.213 608 G HA2 -0.199 3.804 3.960 0.072 0.000 0.236 608 G HA3 -0.199 3.804 3.960 0.072 0.000 0.236 608 G C -0.375 174.623 174.900 0.163 0.000 0.991 608 G CA -0.560 44.600 45.100 0.100 0.000 0.629 608 G HN 0.576 nan 8.290 nan 0.000 0.517 609 W N 2.931 124.228 121.300 -0.005 0.000 2.342 609 W HA 0.472 5.176 4.660 0.073 0.000 0.310 609 W C 0.979 177.518 176.519 0.032 0.000 1.128 609 W CA 0.116 57.470 57.345 0.015 0.000 1.322 609 W CB 0.392 29.857 29.460 0.008 0.000 1.251 609 W HN 0.407 nan 8.180 nan 0.000 0.439 610 Q N 2.636 122.063 119.800 -0.621 0.000 2.443 610 Q HA -0.380 4.003 4.340 0.072 0.000 0.445 610 Q C 1.306 177.210 176.000 -0.160 0.000 0.566 610 Q CA 2.802 58.364 55.803 -0.401 0.000 0.976 610 Q CB -1.088 27.290 28.738 -0.600 0.000 2.346 610 Q HN 0.644 nan 8.270 nan 0.000 1.001 611 E N 1.115 121.200 120.200 -0.191 0.000 2.338 611 E HA -0.094 4.299 4.350 0.072 0.000 0.197 611 E C 1.656 178.128 176.600 -0.213 0.000 1.007 611 E CA 0.879 57.070 56.400 -0.349 0.000 0.849 611 E CB -0.124 29.372 29.700 -0.340 0.000 0.774 611 E HN 0.357 nan 8.360 nan 0.000 0.506 612 E N 0.757 120.889 120.200 -0.114 0.000 2.267 612 E HA -0.273 4.120 4.350 0.072 0.000 0.197 612 E C 1.723 178.245 176.600 -0.130 0.000 0.998 612 E CA 0.842 57.178 56.400 -0.106 0.000 0.830 612 E CB 0.117 29.802 29.700 -0.026 0.000 0.751 612 E HN 0.246 nan 8.360 nan 0.000 0.491 613 Q N 0.200 119.931 119.800 -0.115 0.000 2.234 613 Q HA -0.083 4.300 4.340 0.072 0.000 0.206 613 Q C 1.802 177.746 176.000 -0.094 0.000 0.980 613 Q CA 1.728 57.474 55.803 -0.094 0.000 0.869 613 Q CB -0.362 28.330 28.738 -0.077 0.000 0.912 613 Q HN 0.292 nan 8.270 nan 0.000 0.436 614 A N 0.246 122.999 122.820 -0.113 0.000 2.066 614 A HA 0.049 4.412 4.320 0.072 0.000 0.218 614 A C 1.336 178.931 177.584 0.019 0.000 1.157 614 A CA 1.087 53.132 52.037 0.012 0.000 0.670 614 A CB -0.440 18.546 19.000 -0.023 0.000 0.804 614 A HN 0.569 nan 8.150 nan 0.000 0.453 615 I N -3.636 116.777 120.570 -0.260 0.000 2.979 615 I HA 0.240 4.453 4.170 0.072 0.000 0.337 615 I C 0.917 176.526 176.117 -0.847 0.000 1.453 615 I CA 0.306 61.137 61.300 -0.782 0.000 0.891 615 I CB 0.050 37.556 38.000 -0.823 0.000 1.887 615 I HN 0.035 nan 8.210 nan 0.000 0.546 616 T N -2.067 112.231 114.554 -0.427 0.000 3.035 616 T HA -0.127 4.266 4.350 0.072 0.000 0.268 616 T C 1.539 176.166 174.700 -0.121 0.000 1.109 616 T CA 0.969 62.947 62.100 -0.204 0.000 1.119 616 T CB -0.444 68.422 68.868 -0.004 0.000 0.900 616 T HN 0.783 nan 8.240 nan 0.000 0.503 617 W N 1.907 123.086 121.300 -0.202 0.000 2.364 617 W HA 0.182 4.884 4.660 0.071 0.000 0.281 617 W C 1.817 178.121 176.519 -0.359 0.000 1.219 617 W CA 0.384 57.346 57.345 -0.638 0.000 1.220 617 W CB -0.976 27.566 29.460 -1.529 0.000 1.127 617 W HN 0.375 nan 8.180 nan 0.000 0.556 618 A N 1.418 123.880 122.820 -0.597 0.000 2.235 618 A HA 0.042 4.405 4.320 0.072 0.000 0.208 618 A C 2.043 179.607 177.584 -0.033 0.000 1.172 618 A CA 0.245 52.117 52.037 -0.275 0.000 0.786 618 A CB -0.695 17.909 19.000 -0.661 0.000 0.804 618 A HN 0.340 nan 8.150 nan 0.000 0.479 619 R N -1.509 118.840 120.500 -0.253 0.000 2.189 619 R HA -0.005 4.378 4.340 0.072 0.000 0.218 619 R C -0.661 175.262 176.300 -0.628 0.000 1.074 619 R CA 0.748 56.572 56.100 -0.461 0.000 0.991 619 R CB -0.072 29.680 30.300 -0.913 0.000 0.883 619 R HN 0.627 nan 8.270 nan 0.000 0.457 620 Y N -0.068 120.202 120.300 -0.050 0.000 2.332 620 Y HA 0.251 4.844 4.550 0.071 0.000 0.326 620 Y C -1.702 174.074 175.900 -0.207 0.000 0.978 620 Y CA -2.811 55.211 58.100 -0.130 0.000 1.205 620 Y CB 1.773 40.296 38.460 0.105 0.000 1.131 620 Y HN -0.141 nan 8.280 nan 0.000 0.462 621 P HA -0.118 nan 4.420 nan 0.000 0.218 621 P C -0.217 177.132 177.300 0.080 0.000 1.149 621 P CA 1.050 64.054 63.100 -0.160 0.000 0.817 621 P CB 0.950 32.492 31.700 -0.264 0.000 0.785 622 L N -1.193 120.118 121.223 0.147 0.000 2.436 622 L HA 0.756 5.139 4.340 0.072 0.000 0.268 622 L C -1.672 175.401 176.870 0.338 0.000 0.974 622 L CA -1.147 53.819 54.840 0.210 0.000 0.826 622 L CB 1.995 44.110 42.059 0.092 0.000 1.291 622 L HN -0.100 nan 8.230 nan 0.000 0.406 623 A N 4.100 127.108 122.820 0.314 0.000 2.475 623 A HA 0.862 5.225 4.320 0.072 0.000 0.301 623 A C -1.729 176.048 177.584 0.322 0.000 1.059 623 A CA -0.574 51.611 52.037 0.248 0.000 0.710 623 A CB 1.994 21.127 19.000 0.221 0.000 1.288 623 A HN 0.536 nan 8.150 nan 0.000 0.408 624 V N 1.977 121.991 119.914 0.168 0.000 2.448 624 V HA 0.728 4.891 4.120 0.072 0.000 0.295 624 V C 0.267 176.494 176.094 0.220 0.000 1.025 624 V CA -0.042 62.360 62.300 0.171 0.000 0.859 624 V CB 1.651 33.427 31.823 -0.079 0.000 0.988 624 V HN 1.162 nan 8.190 nan 0.000 0.431 625 T N 1.214 115.966 114.554 0.331 0.000 2.908 625 T HA 0.574 4.968 4.350 0.072 0.000 0.290 625 T C -0.546 174.277 174.700 0.205 0.000 1.034 625 T CA -0.930 61.331 62.100 0.268 0.000 1.010 625 T CB 1.859 70.952 68.868 0.374 0.000 1.068 625 T HN 0.584 nan 8.240 nan 0.000 0.481 626 K N 1.629 122.118 120.400 0.148 0.000 2.368 626 K HA 0.150 4.513 4.320 0.072 0.000 0.282 626 K C -0.578 176.102 176.600 0.132 0.000 1.035 626 K CA -0.667 55.703 56.287 0.138 0.000 0.973 626 K CB 0.182 32.748 32.500 0.110 0.000 0.957 626 K HN 0.692 nan 8.250 nan 0.000 0.474 627 Y N 4.247 124.569 120.300 0.037 0.000 2.810 627 Y HA -0.055 4.538 4.550 0.072 0.000 0.332 627 Y C -0.468 175.427 175.900 -0.007 0.000 1.243 627 Y CA 0.889 58.995 58.100 0.011 0.000 1.537 627 Y CB 0.463 38.911 38.460 -0.019 0.000 1.265 627 Y HN 0.561 nan 8.280 nan 0.000 0.572 628 R N 4.677 124.882 120.500 -0.492 0.000 2.584 628 R HA 0.136 4.519 4.340 0.072 0.000 0.276 628 R C 0.493 176.509 176.300 -0.474 0.000 1.046 628 R CA -0.867 55.053 56.100 -0.299 0.000 0.906 628 R CB 1.671 31.845 30.300 -0.210 0.000 1.215 628 R HN 0.643 nan 8.270 nan 0.000 0.449 629 E N 0.606 120.702 120.200 -0.173 0.000 2.265 629 E HA -0.115 4.278 4.350 0.072 0.000 0.196 629 E C 1.169 177.727 176.600 -0.071 0.000 0.996 629 E CA 1.582 57.940 56.400 -0.071 0.000 0.832 629 E CB 0.171 29.916 29.700 0.075 0.000 0.756 629 E HN 0.592 nan 8.360 nan 0.000 0.491 630 S N -0.138 115.504 115.700 -0.098 0.000 2.603 630 S HA 0.061 4.574 4.470 0.072 0.000 0.220 630 S C 0.793 175.307 174.600 -0.145 0.000 0.967 630 S CA 0.001 58.160 58.200 -0.068 0.000 0.920 630 S CB 0.011 63.181 63.200 -0.050 0.000 0.773 630 S HN 0.126 nan 8.310 nan 0.000 0.529 631 E N 0.589 120.619 120.200 -0.282 0.000 3.575 631 E HA 0.326 4.719 4.350 0.072 0.000 0.201 631 E C 0.260 176.798 176.600 -0.104 0.000 0.999 631 E CA -0.064 56.025 56.400 -0.518 0.000 1.315 631 E CB 0.446 29.428 29.700 -1.197 0.000 1.146 631 E HN 0.386 nan 8.360 nan 0.000 0.453 632 L N -0.332 120.917 121.223 0.044 0.000 2.240 632 L HA 0.092 4.475 4.340 0.072 0.000 0.211 632 L C 0.695 177.773 176.870 0.347 0.000 1.106 632 L CA 0.603 55.528 54.840 0.141 0.000 0.793 632 L CB 0.147 42.274 42.059 0.114 0.000 0.927 632 L HN 0.243 nan 8.230 nan 0.000 0.446 633 C N -1.115 118.432 119.300 0.410 0.000 2.563 633 C HA 0.285 4.788 4.460 0.072 0.000 0.314 633 C C 1.584 176.867 174.990 0.489 0.000 1.199 633 C CA -0.725 58.549 59.018 0.426 0.000 1.564 633 C CB 1.800 29.695 27.740 0.259 0.000 2.173 633 C HN 0.389 nan 8.230 nan 0.000 0.485 634 S N 0.322 116.259 115.700 0.394 0.000 2.524 634 S HA 0.109 4.622 4.470 0.072 0.000 0.216 634 S C 0.599 175.209 174.600 0.016 0.000 0.987 634 S CA 0.315 58.614 58.200 0.164 0.000 0.909 634 S CB 0.090 63.303 63.200 0.021 0.000 0.781 634 S HN 0.742 nan 8.310 nan 0.000 0.521 635 S N 0.249 115.908 115.700 -0.068 0.000 2.911 635 S HA 0.827 5.340 4.470 0.072 0.000 0.319 635 S C -1.088 173.366 174.600 -0.242 0.000 1.154 635 S CA 0.071 58.013 58.200 -0.429 0.000 0.857 635 S CB 1.510 64.540 63.200 -0.283 0.000 1.279 635 S HN 0.850 nan 8.310 nan 0.000 0.593 636 S N -0.379 115.179 115.700 -0.237 0.000 2.636 636 S HA 0.338 4.851 4.470 0.072 0.000 0.268 636 S C 0.793 175.446 174.600 0.089 0.000 1.159 636 S CA -0.266 58.002 58.200 0.113 0.000 0.815 636 S CB -0.042 63.404 63.200 0.411 0.000 1.130 636 S HN 1.117 nan 8.310 nan 0.000 0.471 637 I N -1.225 119.305 120.570 -0.067 0.000 2.756 637 I HA 0.025 4.238 4.170 0.072 0.000 0.262 637 I C 1.366 177.352 176.117 -0.218 0.000 1.225 637 I CA 0.952 62.160 61.300 -0.153 0.000 1.472 637 I CB -0.633 37.248 38.000 -0.198 0.000 1.094 637 I HN 0.675 nan 8.210 nan 0.000 0.454 638 Y N 0.183 120.608 120.300 0.208 0.000 2.517 638 Y HA 0.038 4.630 4.550 0.069 0.000 0.281 638 Y C 2.361 178.340 175.900 0.131 0.000 1.125 638 Y CA 0.497 58.676 58.100 0.132 0.000 1.283 638 Y CB -0.619 37.905 38.460 0.107 0.000 1.042 638 Y HN 0.139 nan 8.280 nan 0.000 0.547 639 H N -0.009 119.153 119.070 0.153 0.000 2.353 639 H HA -0.197 4.401 4.556 0.071 0.000 0.300 639 H C 2.178 177.531 175.328 0.042 0.000 1.090 639 H CA 1.862 57.968 56.048 0.098 0.000 1.327 639 H CB -0.208 29.625 29.762 0.118 0.000 1.383 639 H HN 0.250 nan 8.280 nan 0.000 0.508 640 Q N 0.571 120.488 119.800 0.194 0.000 2.112 640 Q HA -0.143 4.240 4.340 0.072 0.000 0.206 640 Q C 1.172 177.189 176.000 0.029 0.000 0.987 640 Q CA 1.911 57.798 55.803 0.140 0.000 0.858 640 Q CB -0.050 28.809 28.738 0.202 0.000 0.905 640 Q HN 0.324 nan 8.270 nan 0.000 0.420 641 N N -0.267 118.444 118.700 0.019 0.000 2.254 641 N HA 0.040 4.823 4.740 0.072 0.000 0.190 641 N C -0.778 174.773 175.510 0.068 0.000 1.107 641 N CA 0.438 53.493 53.050 0.009 0.000 0.869 641 N CB 0.642 39.104 38.487 -0.041 0.000 0.983 641 N HN 0.172 nan 8.380 nan 0.000 0.487 642 D N 0.185 120.617 120.400 0.055 0.000 2.513 642 D HA 0.199 4.882 4.640 0.072 0.000 0.295 642 D C -2.000 174.237 176.300 -0.104 0.000 1.202 642 D CA -1.772 52.299 54.000 0.119 0.000 0.849 642 D CB 1.259 42.210 40.800 0.252 0.000 1.116 642 D HN 0.005 nan 8.370 nan 0.000 0.502 643 P HA -0.023 nan 4.420 nan 0.000 0.233 643 P C 1.391 178.440 177.300 -0.419 0.000 1.167 643 P CA 0.384 63.198 63.100 -0.477 0.000 0.770 643 P CB 0.135 31.442 31.700 -0.655 0.000 0.837 644 W N 0.504 121.767 121.300 -0.062 0.000 2.453 644 W HA 0.039 4.741 4.660 0.070 0.000 0.289 644 W C 0.513 176.980 176.519 -0.086 0.000 1.215 644 W CA 0.736 58.029 57.345 -0.087 0.000 1.297 644 W CB -0.671 28.738 29.460 -0.085 0.000 1.113 644 W HN 0.077 nan 8.180 nan 0.000 0.551 645 D N -0.339 120.155 120.400 0.156 0.000 2.739 645 D HA 0.203 4.886 4.640 0.072 0.000 0.335 645 D C -2.521 173.694 176.300 -0.140 0.000 1.216 645 D CA -1.993 52.031 54.000 0.040 0.000 0.808 645 D CB 0.712 41.609 40.800 0.161 0.000 1.121 645 D HN -0.167 nan 8.370 nan 0.000 0.499 646 P HA 0.294 nan 4.420 nan 0.000 0.276 646 P C -2.061 175.008 177.300 -0.385 0.000 1.252 646 P CA -1.103 61.727 63.100 -0.450 0.000 0.802 646 P CB 1.024 32.202 31.700 -0.869 0.000 1.035 647 P HA 0.048 nan 4.420 nan 0.000 0.241 647 P C -0.125 177.196 177.300 0.036 0.000 1.191 647 P CA 0.611 63.614 63.100 -0.162 0.000 0.771 647 P CB 0.420 32.063 31.700 -0.095 0.000 0.929 648 V N 0.503 120.505 119.914 0.148 0.000 2.569 648 V HA 0.250 4.413 4.120 0.072 0.000 0.301 648 V C -0.355 175.852 176.094 0.187 0.000 1.044 648 V CA -0.768 61.681 62.300 0.248 0.000 0.874 648 V CB 2.835 34.890 31.823 0.387 0.000 1.002 648 V HN -0.341 nan 8.190 nan 0.000 0.424 649 V N 5.273 125.190 119.914 0.004 0.000 2.326 649 V HA 0.256 4.420 4.120 0.072 0.000 0.281 649 V C 0.717 176.606 176.094 -0.342 0.000 1.015 649 V CA -0.253 62.002 62.300 -0.075 0.000 0.823 649 V CB 1.083 32.863 31.823 -0.071 0.000 1.009 649 V HN 0.869 nan 8.190 nan 0.000 0.436 650 F N 3.728 123.369 119.950 -0.516 0.000 2.120 650 F HA -0.218 4.352 4.527 0.071 0.000 0.300 650 F C 2.156 177.558 175.800 -0.663 0.000 1.095 650 F CA 2.496 59.914 58.000 -0.971 0.000 1.249 650 F CB 0.162 38.868 39.000 -0.490 0.000 0.995 650 F HN 0.660 nan 8.300 nan 0.000 0.480 651 E N 0.499 120.566 120.200 -0.222 0.000 2.147 651 E HA -0.308 4.085 4.350 0.072 0.000 0.199 651 E C 2.096 178.584 176.600 -0.187 0.000 1.005 651 E CA 1.947 58.275 56.400 -0.120 0.000 0.810 651 E CB -0.464 29.264 29.700 0.047 0.000 0.736 651 E HN 0.642 nan 8.360 nan 0.000 0.460 652 Q N -1.262 118.422 119.800 -0.193 0.000 2.226 652 Q HA -0.135 4.248 4.340 0.072 0.000 0.204 652 Q C 1.554 177.601 176.000 0.078 0.000 0.975 652 Q CA 1.249 57.027 55.803 -0.041 0.000 0.866 652 Q CB -0.167 28.564 28.738 -0.012 0.000 0.915 652 Q HN 0.360 nan 8.270 nan 0.000 0.440 653 F N -0.254 119.526 119.950 -0.283 0.000 2.333 653 F HA -0.122 4.448 4.527 0.071 0.000 0.300 653 F C 1.568 177.225 175.800 -0.239 0.000 1.083 653 F CA 0.819 58.632 58.000 -0.312 0.000 1.395 653 F CB -0.444 38.209 39.000 -0.579 0.000 1.056 653 F HN 0.097 nan 8.300 nan 0.000 0.529 654 L N -1.643 119.537 121.223 -0.071 0.000 2.585 654 L HA 0.015 4.398 4.340 0.072 0.000 0.226 654 L C 2.415 179.298 176.870 0.021 0.000 1.113 654 L CA 0.159 54.967 54.840 -0.054 0.000 0.876 654 L CB -0.710 41.269 42.059 -0.134 0.000 1.072 654 L HN 0.172 nan 8.230 nan 0.000 0.468 655 H N 2.408 121.464 119.070 -0.024 0.000 2.319 655 H HA -0.165 4.434 4.556 0.072 0.000 0.299 655 H C 1.590 176.914 175.328 -0.006 0.000 1.092 655 H CA 2.103 58.145 56.048 -0.011 0.000 1.302 655 H CB 0.254 30.013 29.762 -0.005 0.000 1.373 655 H HN 0.487 nan 8.280 nan 0.000 0.497 656 N N 0.914 119.615 118.700 0.000 0.000 2.571 656 N HA -0.158 4.625 4.740 0.072 0.000 0.189 656 N C 0.184 175.669 175.510 -0.042 0.000 1.154 656 N CA 0.768 53.790 53.050 -0.046 0.000 0.907 656 N CB -1.010 37.503 38.487 0.043 0.000 0.977 656 N HN 0.245 nan 8.380 nan 0.000 0.449 657 N N 1.017 119.702 118.700 -0.026 0.000 2.678 657 N HA -0.230 4.553 4.740 0.072 0.000 0.268 657 N C -1.257 174.342 175.510 0.148 0.000 1.010 657 N CA 0.570 53.635 53.050 0.024 0.000 0.784 657 N CB -1.081 37.361 38.487 -0.075 0.000 0.905 657 N HN 0.561 nan 8.380 nan 0.000 0.552 658 E N 0.288 120.599 120.200 0.186 0.000 2.371 658 E HA 0.074 4.467 4.350 0.072 0.000 0.257 658 E C 0.429 177.264 176.600 0.392 0.000 1.134 658 E CA -0.752 55.805 56.400 0.261 0.000 0.919 658 E CB 0.440 30.235 29.700 0.157 0.000 1.025 658 E HN 0.381 nan 8.360 nan 0.000 0.438 659 N N 2.154 121.067 118.700 0.355 0.000 2.483 659 N HA 0.008 4.791 4.740 0.072 0.000 0.264 659 N C -0.015 175.488 175.510 -0.011 0.000 1.197 659 N CA 0.166 53.215 53.050 -0.001 0.000 0.927 659 N CB 0.487 38.890 38.487 -0.141 0.000 1.065 659 N HN 0.469 nan 8.380 nan 0.000 0.461 660 I N -0.404 120.121 120.570 -0.075 0.000 3.707 660 I HA 0.367 4.580 4.170 0.072 0.000 0.330 660 I C -0.681 175.433 176.117 -0.005 0.000 1.572 660 I CA -0.563 60.746 61.300 0.016 0.000 1.104 660 I CB 0.164 38.216 38.000 0.086 0.000 1.240 660 I HN 0.210 nan 8.210 nan 0.000 0.475 661 E N 2.048 122.198 120.200 -0.084 0.000 2.130 661 E HA 0.213 4.606 4.350 0.072 0.000 0.284 661 E C -0.431 176.156 176.600 -0.022 0.000 1.018 661 E CA -0.693 55.669 56.400 -0.063 0.000 0.817 661 E CB 0.644 30.264 29.700 -0.134 0.000 1.078 661 E HN 0.346 nan 8.360 nan 0.000 0.396 662 N N 3.241 121.950 118.700 0.014 0.000 2.667 662 N HA -0.188 4.595 4.740 0.072 0.000 0.263 662 N C -1.347 174.180 175.510 0.029 0.000 1.038 662 N CA 0.816 53.881 53.050 0.025 0.000 0.749 662 N CB -0.297 38.196 38.487 0.009 0.000 0.892 662 N HN 0.433 nan 8.380 nan 0.000 0.546 663 E N -0.201 120.028 120.200 0.049 0.000 2.410 663 E HA 0.218 4.611 4.350 0.072 0.000 0.269 663 E C -0.963 175.678 176.600 0.069 0.000 0.937 663 E CA -0.741 55.692 56.400 0.054 0.000 0.793 663 E CB 0.707 30.444 29.700 0.062 0.000 1.314 663 E HN 0.238 nan 8.360 nan 0.000 0.447 664 D N 1.612 122.047 120.400 0.059 0.000 2.342 664 D HA 0.176 4.859 4.640 0.072 0.000 0.260 664 D C -0.588 175.787 176.300 0.125 0.000 1.278 664 D CA 0.149 54.181 54.000 0.054 0.000 0.910 664 D CB -0.066 40.721 40.800 -0.022 0.000 1.079 664 D HN 0.222 nan 8.370 nan 0.000 0.496 665 L N 2.855 124.155 121.223 0.127 0.000 2.344 665 L HA 0.543 4.926 4.340 0.072 0.000 0.272 665 L C -0.194 176.730 176.870 0.091 0.000 1.035 665 L CA -1.186 53.746 54.840 0.154 0.000 0.807 665 L CB 1.905 44.104 42.059 0.234 0.000 1.237 665 L HN 0.057 nan 8.230 nan 0.000 0.442 666 V N 1.447 121.401 119.914 0.068 0.000 2.483 666 V HA 0.544 4.707 4.120 0.072 0.000 0.297 666 V C 0.081 176.076 176.094 -0.166 0.000 1.027 666 V CA -0.645 61.578 62.300 -0.128 0.000 0.855 666 V CB 1.643 33.358 31.823 -0.180 0.000 0.995 666 V HN 0.866 nan 8.190 nan 0.000 0.424 667 A N 4.562 127.175 122.820 -0.345 0.000 2.331 667 A HA 0.776 5.139 4.320 0.072 0.000 0.283 667 A C -1.276 176.096 177.584 -0.353 0.000 1.142 667 A CA -0.277 51.608 52.037 -0.254 0.000 0.812 667 A CB 0.415 19.132 19.000 -0.472 0.000 1.074 667 A HN 0.821 nan 8.150 nan 0.000 0.497 668 W N 1.582 122.854 121.300 -0.046 0.000 2.600 668 W HA 0.552 5.255 4.660 0.071 0.000 0.325 668 W C -0.888 175.551 176.519 -0.133 0.000 1.034 668 W CA -0.531 56.736 57.345 -0.130 0.000 1.226 668 W CB 2.092 31.601 29.460 0.081 0.000 1.379 668 W HN 0.425 nan 8.180 nan 0.000 0.466 669 V N 2.927 122.805 119.914 -0.060 0.000 2.531 669 V HA 0.496 4.659 4.120 0.072 0.000 0.301 669 V C -0.245 175.998 176.094 0.249 0.000 1.034 669 V CA -0.810 61.509 62.300 0.032 0.000 0.865 669 V CB 1.857 33.539 31.823 -0.234 0.000 0.995 669 V HN 0.487 nan 8.190 nan 0.000 0.424 670 T N 4.912 119.706 114.554 0.400 0.000 2.767 670 T HA 0.620 5.014 4.350 0.072 0.000 0.284 670 T C -0.239 174.735 174.700 0.456 0.000 0.973 670 T CA -0.349 62.074 62.100 0.539 0.000 0.996 670 T CB 1.303 70.549 68.868 0.630 0.000 0.927 670 T HN 0.738 nan 8.240 nan 0.000 0.456 671 V N 0.723 120.905 119.914 0.447 0.000 2.914 671 V HA 1.109 5.272 4.120 0.072 0.000 0.314 671 V C 0.003 176.297 176.094 0.333 0.000 1.084 671 V CA -0.548 61.980 62.300 0.380 0.000 0.963 671 V CB 1.648 33.700 31.823 0.381 0.000 1.025 671 V HN 1.089 nan 8.190 nan 0.000 0.432 672 G N 1.883 110.854 108.800 0.285 0.000 2.342 672 G HA2 0.745 4.748 3.960 0.072 0.000 0.297 672 G HA3 0.745 4.748 3.960 0.072 0.000 0.297 672 G C -1.606 173.476 174.900 0.303 0.000 1.313 672 G CA -0.089 45.153 45.100 0.236 0.000 0.830 672 G HN 2.093 nan 8.290 nan 0.000 0.506 673 F N -1.616 118.373 119.950 0.065 0.000 2.650 673 F HA 0.724 5.294 4.527 0.072 0.000 0.310 673 F C -1.068 174.753 175.800 0.036 0.000 1.112 673 F CA -1.466 56.547 58.000 0.022 0.000 0.986 673 F CB 1.404 40.404 39.000 0.001 0.000 1.285 673 F HN 0.608 nan 8.300 nan 0.000 0.440 674 L N 3.641 124.901 121.223 0.062 0.000 2.455 674 L HA 0.304 4.687 4.340 0.072 0.000 0.272 674 L C -0.663 176.284 176.870 0.128 0.000 1.174 674 L CA 0.525 55.353 54.840 -0.020 0.000 0.869 674 L CB 0.105 42.155 42.059 -0.015 0.000 1.130 674 L HN 0.880 nan 8.230 nan 0.000 0.474 675 H N 5.868 124.799 119.070 -0.231 0.000 2.887 675 H HA 0.409 5.008 4.556 0.072 0.000 0.300 675 H C -0.944 174.257 175.328 -0.211 0.000 1.038 675 H CA -0.961 54.999 56.048 -0.147 0.000 1.352 675 H CB 0.769 30.413 29.762 -0.197 0.000 1.473 675 H HN 0.655 nan 8.280 nan 0.000 0.503 676 I N 7.900 128.579 120.570 0.181 0.000 2.301 676 I HA 0.196 4.409 4.170 0.072 0.000 0.292 676 I C -2.168 174.098 176.117 0.248 0.000 1.046 676 I CA -1.954 59.411 61.300 0.108 0.000 1.282 676 I CB 1.157 39.212 38.000 0.092 0.000 1.409 676 I HN 0.458 nan 8.210 nan 0.000 0.484 677 P HA 0.133 nan 4.420 nan 0.000 0.270 677 P C -1.255 176.206 177.300 0.269 0.000 1.223 677 P CA 0.158 63.347 63.100 0.149 0.000 0.785 677 P CB 0.432 32.150 31.700 0.031 0.000 0.923 678 H N -3.303 115.849 119.070 0.136 0.000 2.985 678 H HA 0.438 5.037 4.556 0.072 0.000 0.360 678 H C 0.879 176.249 175.328 0.071 0.000 1.221 678 H CA -0.846 55.253 56.048 0.084 0.000 1.121 678 H CB 0.464 30.273 29.762 0.078 0.000 1.854 678 H HN 0.188 nan 8.280 nan 0.000 0.551 679 S N 0.082 115.843 115.700 0.102 0.000 2.400 679 S HA -0.236 4.277 4.470 0.072 0.000 0.232 679 S C 1.163 175.758 174.600 -0.007 0.000 1.025 679 S CA 1.603 59.819 58.200 0.026 0.000 0.993 679 S CB -0.514 62.697 63.200 0.020 0.000 0.808 679 S HN 0.714 nan 8.310 nan 0.000 0.478 680 E N 1.596 121.801 120.200 0.009 0.000 2.409 680 E HA -0.028 4.365 4.350 0.072 0.000 0.198 680 E C 1.106 177.625 176.600 -0.134 0.000 1.024 680 E CA 0.837 57.225 56.400 -0.020 0.000 0.861 680 E CB -0.316 29.445 29.700 0.101 0.000 0.788 680 E HN 0.540 nan 8.360 nan 0.000 0.521 681 D N -0.020 120.232 120.400 -0.246 0.000 2.378 681 D HA -0.055 4.628 4.640 0.072 0.000 0.227 681 D C 0.010 176.267 176.300 -0.071 0.000 1.012 681 D CA 0.479 54.388 54.000 -0.153 0.000 0.905 681 D CB 0.205 40.948 40.800 -0.094 0.000 0.895 681 D HN 0.134 nan 8.370 nan 0.000 0.532 682 I N 2.380 122.924 120.570 -0.043 0.000 2.331 682 I HA 0.094 4.307 4.170 0.072 0.000 0.292 682 I C -1.130 174.956 176.117 -0.051 0.000 0.998 682 I CA -2.139 59.166 61.300 0.008 0.000 1.267 682 I CB 1.209 39.263 38.000 0.090 0.000 1.386 682 I HN -0.214 nan 8.210 nan 0.000 0.476 683 P HA 0.030 nan 4.420 nan 0.000 0.230 683 P C 0.025 177.098 177.300 -0.378 0.000 1.168 683 P CA 0.683 63.679 63.100 -0.173 0.000 0.793 683 P CB 0.856 32.368 31.700 -0.314 0.000 0.851 684 N N -0.932 117.524 118.700 -0.407 0.000 2.229 684 N HA 0.209 4.993 4.740 0.072 0.000 0.298 684 N C -0.707 174.696 175.510 -0.179 0.000 1.114 684 N CA -0.467 52.352 53.050 -0.384 0.000 0.776 684 N CB 1.846 40.089 38.487 -0.406 0.000 1.501 684 N HN -0.249 nan 8.380 nan 0.000 0.474 685 T N 1.442 115.942 114.554 -0.091 0.000 2.946 685 T HA 0.223 4.616 4.350 0.072 0.000 0.311 685 T C 0.126 174.791 174.700 -0.059 0.000 1.063 685 T CA -0.038 62.047 62.100 -0.026 0.000 1.139 685 T CB 0.622 69.543 68.868 0.088 0.000 0.994 685 T HN 0.532 nan 8.240 nan 0.000 0.547 686 A N 2.030 124.817 122.820 -0.055 0.000 2.330 686 A HA 0.642 5.005 4.320 0.072 0.000 0.329 686 A C 1.462 179.011 177.584 -0.058 0.000 1.135 686 A CA -0.413 51.592 52.037 -0.055 0.000 0.817 686 A CB 0.886 19.860 19.000 -0.044 0.000 1.269 686 A HN 0.870 nan 8.150 nan 0.000 0.469 687 T N -1.865 112.654 114.554 -0.059 0.000 2.985 687 T HA 0.104 4.497 4.350 0.072 0.000 0.266 687 T C -1.597 173.069 174.700 -0.057 0.000 1.076 687 T CA 0.275 62.342 62.100 -0.054 0.000 1.135 687 T CB -1.440 67.383 68.868 -0.074 0.000 0.890 687 T HN 0.427 nan 8.240 nan 0.000 0.480 688 P HA 0.330 nan 4.420 nan 0.000 0.267 688 P C 1.098 178.350 177.300 -0.079 0.000 1.205 688 P CA 1.050 64.116 63.100 -0.056 0.000 0.765 688 P CB 0.154 31.828 31.700 -0.044 0.000 0.828 689 G N 3.047 111.793 108.800 -0.089 0.000 2.189 689 G HA2 -0.273 3.730 3.960 0.072 0.000 0.267 689 G HA3 -0.273 3.730 3.960 0.072 0.000 0.267 689 G C 0.520 175.270 174.900 -0.250 0.000 0.975 689 G CA -0.162 44.862 45.100 -0.125 0.000 0.644 689 G HN 0.570 nan 8.290 nan 0.000 0.537 690 N N 0.523 119.056 118.700 -0.279 0.000 2.610 690 N HA 0.404 5.187 4.740 0.072 0.000 0.309 690 N C 0.008 175.263 175.510 -0.425 0.000 1.536 690 N CA 0.681 53.419 53.050 -0.520 0.000 0.954 690 N CB 0.929 39.205 38.487 -0.351 0.000 1.310 690 N HN 0.728 nan 8.380 nan 0.000 0.502 691 S N -1.084 114.409 115.700 -0.345 0.000 2.570 691 S HA 0.825 5.338 4.470 0.072 0.000 0.286 691 S C -0.277 174.244 174.600 -0.133 0.000 1.099 691 S CA -0.580 57.461 58.200 -0.265 0.000 0.913 691 S CB 2.095 65.123 63.200 -0.287 0.000 1.085 691 S HN -0.051 nan 8.310 nan 0.000 0.480 692 V N -1.158 118.716 119.914 -0.067 0.000 3.181 692 V HA 1.075 5.238 4.120 0.072 0.000 0.308 692 V C 0.379 176.501 176.094 0.046 0.000 1.214 692 V CA 0.020 62.391 62.300 0.118 0.000 1.053 692 V CB 0.971 32.923 31.823 0.215 0.000 1.069 692 V HN 1.815 nan 8.190 nan 0.000 0.441 693 G N 0.614 109.489 108.800 0.125 0.000 2.455 693 G HA2 0.620 4.623 3.960 0.072 0.000 0.223 693 G HA3 0.620 4.623 3.960 0.072 0.000 0.223 693 G C -1.497 173.461 174.900 0.097 0.000 1.226 693 G CA 0.135 45.229 45.100 -0.009 0.000 0.948 693 G HN 2.234 nan 8.290 nan 0.000 0.478 694 F N -1.467 118.401 119.950 -0.137 0.000 2.713 694 F HA 0.849 5.419 4.527 0.071 0.000 0.311 694 F C -1.504 174.224 175.800 -0.120 0.000 1.141 694 F CA -1.483 56.457 58.000 -0.101 0.000 0.939 694 F CB 1.164 40.094 39.000 -0.116 0.000 1.325 694 F HN 0.538 nan 8.300 nan 0.000 0.453 695 L N 2.461 123.770 121.223 0.143 0.000 2.334 695 L HA 0.660 5.043 4.340 0.072 0.000 0.273 695 L C -1.078 175.908 176.870 0.194 0.000 1.013 695 L CA -1.094 53.781 54.840 0.058 0.000 0.816 695 L CB 2.122 44.175 42.059 -0.009 0.000 1.278 695 L HN 0.639 nan 8.230 nan 0.000 0.431 696 L N 3.323 124.649 121.223 0.172 0.000 2.343 696 L HA 0.544 4.927 4.340 0.072 0.000 0.278 696 L C -0.668 176.394 176.870 0.320 0.000 0.996 696 L CA -0.483 54.519 54.840 0.271 0.000 0.831 696 L CB 1.637 43.849 42.059 0.255 0.000 1.232 696 L HN 0.559 nan 8.230 nan 0.000 0.413 697 R N 3.795 124.415 120.500 0.200 0.000 2.599 697 R HA 0.502 4.885 4.340 0.072 0.000 0.295 697 R C -2.691 173.308 176.300 -0.501 0.000 0.963 697 R CA -1.992 54.087 56.100 -0.034 0.000 0.883 697 R CB 1.834 32.119 30.300 -0.025 0.000 1.171 697 R HN 0.253 nan 8.270 nan 0.000 0.450 698 P HA -0.005 nan 4.420 nan 0.000 0.271 698 P C -1.096 176.078 177.300 -0.210 0.000 1.216 698 P CA 0.147 62.646 63.100 -1.001 0.000 0.771 698 P CB 0.432 31.857 31.700 -0.460 0.000 0.864 699 F N 4.489 124.304 119.950 -0.226 0.000 2.646 699 F HA 0.306 4.876 4.527 0.072 0.000 0.364 699 F C 0.275 176.096 175.800 0.036 0.000 1.137 699 F CA -0.358 57.622 58.000 -0.034 0.000 1.085 699 F CB 0.374 39.391 39.000 0.028 0.000 1.331 699 F HN 0.273 nan 8.300 nan 0.000 0.472 700 N N 3.681 122.236 118.700 -0.242 0.000 2.782 700 N HA -0.316 4.467 4.740 0.072 0.000 0.251 700 N C 0.566 176.087 175.510 0.019 0.000 1.101 700 N CA 1.452 54.433 53.050 -0.115 0.000 0.764 700 N CB -1.795 36.599 38.487 -0.155 0.000 1.122 700 N HN 0.696 nan 8.380 nan 0.000 0.561 701 F N -0.002 119.860 119.950 -0.147 0.000 2.262 701 F HA 0.250 4.820 4.527 0.072 0.000 0.292 701 F C 0.675 176.216 175.800 -0.431 0.000 1.081 701 F CA 0.685 58.502 58.000 -0.304 0.000 1.355 701 F CB 0.236 38.949 39.000 -0.478 0.000 1.069 701 F HN -0.039 nan 8.300 nan 0.000 0.506 702 F N 0.322 120.381 119.950 0.182 0.000 2.470 702 F HA 0.357 4.927 4.527 0.072 0.000 0.329 702 F C -1.242 174.595 175.800 0.062 0.000 1.072 702 F CA -2.152 55.906 58.000 0.096 0.000 0.989 702 F CB 0.195 39.261 39.000 0.111 0.000 1.193 702 F HN -0.286 nan 8.300 nan 0.000 0.481 703 P HA -0.103 nan 4.420 nan 0.000 0.218 703 P C -0.682 176.826 177.300 0.347 0.000 1.149 703 P CA 1.364 64.609 63.100 0.243 0.000 0.817 703 P CB 0.151 31.933 31.700 0.137 0.000 0.785 704 E N -2.416 117.922 120.200 0.229 0.000 2.435 704 E HA 0.235 4.628 4.350 0.072 0.000 0.272 704 E C -1.194 175.444 176.600 0.063 0.000 1.031 704 E CA -0.984 55.496 56.400 0.133 0.000 0.872 704 E CB -0.092 29.669 29.700 0.103 0.000 1.588 704 E HN -0.325 nan 8.360 nan 0.000 0.460 705 D N 1.884 122.281 120.400 -0.004 0.000 2.554 705 D HA -0.006 4.677 4.640 0.072 0.000 0.251 705 D C -1.202 175.019 176.300 -0.132 0.000 1.213 705 D CA -1.533 52.426 54.000 -0.068 0.000 0.900 705 D CB 0.914 41.678 40.800 -0.060 0.000 1.135 705 D HN 0.178 nan 8.370 nan 0.000 0.522 706 P HA -0.125 nan 4.420 nan 0.000 0.226 706 P C 1.030 178.222 177.300 -0.180 0.000 1.153 706 P CA 0.605 63.471 63.100 -0.391 0.000 0.777 706 P CB -0.036 31.009 31.700 -1.090 0.000 0.794 707 S N -0.677 114.941 115.700 -0.137 0.000 2.547 707 S HA -0.037 4.476 4.470 0.072 0.000 0.235 707 S C 1.877 176.436 174.600 -0.068 0.000 0.980 707 S CA 0.282 58.452 58.200 -0.051 0.000 0.941 707 S CB -1.547 61.645 63.200 -0.014 0.000 0.763 707 S HN 0.080 nan 8.310 nan 0.000 0.532 708 L N 0.790 121.960 121.223 -0.089 0.000 2.191 708 L HA -0.031 4.352 4.340 0.072 0.000 0.212 708 L C 2.929 179.718 176.870 -0.136 0.000 1.103 708 L CA 1.062 55.836 54.840 -0.110 0.000 0.769 708 L CB -0.648 41.355 42.059 -0.093 0.000 0.908 708 L HN 0.506 nan 8.230 nan 0.000 0.438 709 A N -1.150 121.606 122.820 -0.106 0.000 2.172 709 A HA -0.076 4.287 4.320 0.072 0.000 0.216 709 A C 1.478 178.987 177.584 -0.126 0.000 1.154 709 A CA 0.501 52.470 52.037 -0.114 0.000 0.701 709 A CB -0.312 18.637 19.000 -0.084 0.000 0.789 709 A HN 0.296 nan 8.150 nan 0.000 0.465 710 S N -0.228 115.406 115.700 -0.110 0.000 2.549 710 S HA 0.237 4.750 4.470 0.072 0.000 0.283 710 S C 0.926 175.457 174.600 -0.115 0.000 1.320 710 S CA -0.528 57.623 58.200 -0.082 0.000 1.058 710 S CB 0.251 63.429 63.200 -0.036 0.000 0.882 710 S HN 0.384 nan 8.310 nan 0.000 0.498 711 R N 2.794 123.263 120.500 -0.053 0.000 2.359 711 R HA 0.167 4.550 4.340 0.072 0.000 0.231 711 R C 0.279 176.654 176.300 0.124 0.000 0.913 711 R CA 0.026 56.128 56.100 0.002 0.000 1.075 711 R CB -0.420 29.920 30.300 0.067 0.000 1.087 711 R HN 0.618 nan 8.270 nan 0.000 0.515 712 D N 0.290 120.741 120.400 0.085 0.000 2.317 712 D HA -0.023 4.660 4.640 0.072 0.000 0.211 712 D C 0.101 176.495 176.300 0.157 0.000 0.966 712 D CA 0.616 54.692 54.000 0.126 0.000 0.876 712 D CB 0.113 40.976 40.800 0.105 0.000 0.927 712 D HN -0.008 nan 8.370 nan 0.000 0.519 713 T N 0.767 115.393 114.554 0.120 0.000 2.946 713 T HA 0.164 4.557 4.350 0.072 0.000 0.312 713 T C 0.334 175.222 174.700 0.313 0.000 1.066 713 T CA 0.084 62.265 62.100 0.135 0.000 1.138 713 T CB 1.381 70.238 68.868 -0.019 0.000 1.014 713 T HN -0.243 nan 8.240 nan 0.000 0.544 714 V N 4.340 124.403 119.914 0.249 0.000 2.588 714 V HA 0.519 4.682 4.120 0.072 0.000 0.304 714 V C -0.164 176.045 176.094 0.191 0.000 1.042 714 V CA -0.804 61.647 62.300 0.252 0.000 0.877 714 V CB 1.756 33.697 31.823 0.197 0.000 0.996 714 V HN 0.742 nan 8.190 nan 0.000 0.425 715 I N 4.404 125.064 120.570 0.150 0.000 2.436 715 I HA 0.509 4.722 4.170 0.072 0.000 0.289 715 I C -0.730 175.301 176.117 -0.144 0.000 1.010 715 I CA -0.931 60.336 61.300 -0.055 0.000 1.098 715 I CB 2.203 40.129 38.000 -0.123 0.000 1.266 715 I HN 0.256 nan 8.210 nan 0.000 0.434 716 V N 5.365 125.229 119.914 -0.084 0.000 2.370 716 V HA 0.328 4.491 4.120 0.072 0.000 0.283 716 V C -0.945 175.084 176.094 -0.107 0.000 1.023 716 V CA -0.431 61.900 62.300 0.052 0.000 0.857 716 V CB 0.841 32.844 31.823 0.300 0.000 0.985 716 V HN 0.572 nan 8.190 nan 0.000 0.443 717 W N 6.455 127.814 121.300 0.098 0.000 2.606 717 W HA 0.594 5.297 4.660 0.072 0.000 0.332 717 W C -2.257 174.257 176.519 -0.009 0.000 1.052 717 W CA -2.442 54.883 57.345 -0.032 0.000 1.223 717 W CB 1.103 30.607 29.460 0.073 0.000 1.383 717 W HN 0.288 nan 8.180 nan 0.000 0.524 718 P HA 0.298 nan 4.420 nan 0.000 0.277 718 P C -0.456 176.940 177.300 0.161 0.000 1.240 718 P CA -0.268 62.915 63.100 0.139 0.000 0.798 718 P CB 1.190 32.901 31.700 0.017 0.000 0.979 719 R N 1.194 121.787 120.500 0.155 0.000 2.750 719 R HA 0.341 4.724 4.340 0.072 0.000 0.281 719 R C -0.511 175.837 176.300 0.080 0.000 0.972 719 R CA -0.849 55.311 56.100 0.100 0.000 0.912 719 R CB 1.065 31.420 30.300 0.092 0.000 1.187 719 R HN 0.467 nan 8.270 nan 0.000 0.464 720 D N 2.593 123.023 120.400 0.051 0.000 2.450 720 D HA -0.019 4.665 4.640 0.072 0.000 0.247 720 D C 0.294 176.619 176.300 0.042 0.000 1.162 720 D CA 0.426 54.453 54.000 0.044 0.000 0.879 720 D CB 0.366 41.182 40.800 0.027 0.000 1.163 720 D HN 0.311 nan 8.370 nan 0.000 0.472 721 N N 1.137 119.865 118.700 0.046 0.000 2.701 721 N HA -0.190 4.593 4.740 0.072 0.000 0.250 721 N C 0.275 175.809 175.510 0.041 0.000 1.046 721 N CA 1.367 54.441 53.050 0.040 0.000 0.733 721 N CB -0.947 37.557 38.487 0.028 0.000 0.973 721 N HN 0.631 nan 8.380 nan 0.000 0.541 722 G N -1.217 107.616 108.800 0.054 0.000 2.866 722 G HA2 0.734 4.737 3.960 0.072 0.000 0.289 722 G HA3 0.734 4.737 3.960 0.072 0.000 0.289 722 G C -2.779 172.168 174.900 0.078 0.000 1.396 722 G CA -0.825 44.309 45.100 0.056 0.000 0.848 722 G HN 0.030 nan 8.290 nan 0.000 0.515 723 P HA 0.277 nan 4.420 nan 0.000 0.274 723 P C -0.454 176.935 177.300 0.149 0.000 1.237 723 P CA -0.773 62.388 63.100 0.102 0.000 0.793 723 P CB 0.568 32.319 31.700 0.086 0.000 0.977 724 N N 0.298 119.106 118.700 0.181 0.000 2.453 724 N HA -0.019 4.765 4.740 0.072 0.000 0.253 724 N C -0.533 175.145 175.510 0.279 0.000 1.252 724 N CA 0.103 53.307 53.050 0.256 0.000 0.917 724 N CB -0.098 38.566 38.487 0.294 0.000 1.117 724 N HN 0.453 nan 8.380 nan 0.000 0.442 725 Y N 1.354 121.769 120.300 0.192 0.000 2.425 725 Y HA 0.273 4.866 4.550 0.072 0.000 0.347 725 Y C -0.566 175.469 175.900 0.225 0.000 0.976 725 Y CA -0.887 57.315 58.100 0.169 0.000 1.190 725 Y CB 0.372 38.916 38.460 0.140 0.000 1.136 725 Y HN 0.149 nan 8.280 nan 0.000 0.517 726 V N 7.985 127.793 119.914 -0.176 0.000 2.339 726 V HA 0.146 4.309 4.120 0.072 0.000 0.261 726 V C 0.052 175.776 176.094 -0.618 0.000 1.058 726 V CA -0.455 61.694 62.300 -0.252 0.000 0.897 726 V CB 0.541 32.320 31.823 -0.073 0.000 1.052 726 V HN 0.738 nan 8.190 nan 0.000 0.480 727 Q N 5.806 125.177 119.800 -0.716 0.000 2.294 727 Q HA 0.480 4.863 4.340 0.072 0.000 0.257 727 Q C -0.314 175.354 176.000 -0.553 0.000 0.955 727 Q CA -0.262 55.068 55.803 -0.787 0.000 0.936 727 Q CB 0.758 29.221 28.738 -0.459 0.000 1.188 727 Q HN 0.683 nan 8.270 nan 0.000 0.420 728 R N 2.709 122.819 120.500 -0.650 0.000 2.867 728 R HA 0.395 4.778 4.340 0.072 0.000 0.268 728 R C -0.244 175.704 176.300 -0.587 0.000 1.014 728 R CA -0.565 55.313 56.100 -0.369 0.000 0.946 728 R CB 1.317 31.535 30.300 -0.137 0.000 1.208 728 R HN 0.763 nan 8.270 nan 0.000 0.477 729 W N 0.838 122.154 121.300 0.027 0.000 2.534 729 W HA 0.373 5.076 4.660 0.072 0.000 0.339 729 W C -0.279 176.249 176.519 0.015 0.000 0.961 729 W CA 0.038 57.398 57.345 0.026 0.000 1.545 729 W CB 0.841 30.316 29.460 0.025 0.000 1.104 729 W HN 0.276 nan 8.180 nan 0.000 0.538 730 I N 1.746 122.426 120.570 0.184 0.000 2.582 730 I HA 0.272 4.485 4.170 0.072 0.000 0.292 730 I C -2.134 174.011 176.117 0.047 0.000 1.066 730 I CA -2.000 59.356 61.300 0.094 0.000 1.053 730 I CB 2.239 40.292 38.000 0.088 0.000 1.241 730 I HN -0.464 nan 8.210 nan 0.000 0.421 731 P HA 0.057 nan 4.420 nan 0.000 0.269 731 P C -0.482 176.830 177.300 0.021 0.000 1.215 731 P CA -0.270 62.834 63.100 0.007 0.000 0.780 731 P CB 0.533 32.231 31.700 -0.003 0.000 0.898 732 E N 1.191 121.408 120.200 0.028 0.000 2.414 732 E HA 0.006 4.399 4.350 0.072 0.000 0.263 732 E C -0.670 175.965 176.600 0.058 0.000 1.000 732 E CA -0.046 56.380 56.400 0.045 0.000 0.914 732 E CB 0.222 29.944 29.700 0.037 0.000 0.948 732 E HN 0.424 nan 8.360 nan 0.000 0.444 733 D N 2.790 123.242 120.400 0.085 0.000 2.649 733 D HA 0.240 4.923 4.640 0.072 0.000 0.249 733 D C -0.396 175.972 176.300 0.112 0.000 1.112 733 D CA -0.597 53.483 54.000 0.133 0.000 0.850 733 D CB 0.986 41.932 40.800 0.243 0.000 1.399 733 D HN 0.414 nan 8.370 nan 0.000 0.503 734 R N 2.458 123.015 120.500 0.094 0.000 2.600 734 R HA 0.185 4.568 4.340 0.072 0.000 0.392 734 R C -0.669 175.659 176.300 0.047 0.000 1.032 734 R CA -0.584 55.553 56.100 0.062 0.000 1.139 734 R CB 0.455 30.782 30.300 0.045 0.000 1.400 734 R HN 0.467 nan 8.270 nan 0.000 0.566 735 D N 0.880 121.314 120.400 0.056 0.000 2.443 735 D HA -0.020 4.663 4.640 0.072 0.000 0.239 735 D C -0.134 176.145 176.300 -0.035 0.000 1.136 735 D CA 0.369 54.372 54.000 0.004 0.000 0.879 735 D CB 1.111 41.894 40.800 -0.027 0.000 1.195 735 D HN 0.056 nan 8.370 nan 0.000 0.443 736 C N 1.700 120.982 119.300 -0.031 0.000 2.667 736 C HA 0.803 5.306 4.460 0.072 0.000 0.323 736 C C -0.453 174.513 174.990 -0.039 0.000 1.214 736 C CA -0.144 58.855 59.018 -0.031 0.000 1.721 736 C CB 0.650 28.385 27.740 -0.009 0.000 2.275 736 C HN 0.775 nan 8.230 nan 0.000 0.491 737 S N 3.396 119.076 115.700 -0.033 0.000 2.615 737 S HA 0.684 5.197 4.470 0.072 0.000 0.269 737 S C -1.269 173.327 174.600 -0.007 0.000 1.161 737 S CA -0.840 57.346 58.200 -0.024 0.000 0.817 737 S CB 1.032 64.208 63.200 -0.040 0.000 1.131 737 S HN 0.786 nan 8.310 nan 0.000 0.467 738 M N 2.110 121.711 119.600 0.002 0.000 2.336 738 M HA 0.530 5.053 4.480 0.072 0.000 0.342 738 M C -2.339 173.975 176.300 0.023 0.000 1.128 738 M CA -1.702 53.606 55.300 0.014 0.000 1.016 738 M CB 1.140 33.749 32.600 0.015 0.000 1.665 738 M HN 0.632 nan 8.290 nan 0.000 0.445 739 P HA 0.490 nan 4.420 nan 0.000 0.279 739 P C -2.742 174.589 177.300 0.052 0.000 1.276 739 P CA -1.230 61.901 63.100 0.052 0.000 0.801 739 P CB -0.768 30.972 31.700 0.068 0.000 1.127 740 P HA 0.199 nan 4.420 nan 0.000 0.268 740 P C -2.238 175.091 177.300 0.048 0.000 1.208 740 P CA -0.503 62.623 63.100 0.042 0.000 0.777 740 P CB -1.313 30.408 31.700 0.035 0.000 0.875 741 P HA 0.073 nan 4.420 nan 0.000 0.270 741 P C -0.445 176.902 177.300 0.078 0.000 1.223 741 P CA -0.240 62.900 63.100 0.067 0.000 0.785 741 P CB 0.224 31.953 31.700 0.049 0.000 0.923 742 F N 2.000 121.943 119.950 -0.012 0.000 2.572 742 F HA 0.268 4.838 4.527 0.072 0.000 0.370 742 F C 0.431 176.224 175.800 -0.012 0.000 1.103 742 F CA 0.831 58.820 58.000 -0.019 0.000 1.286 742 F CB 0.180 39.168 39.000 -0.019 0.000 1.105 742 F HN 0.349 nan 8.300 nan 0.000 0.583 743 S N 5.517 120.733 115.700 -0.807 0.000 2.564 743 S HA 0.633 5.146 4.470 0.072 0.000 0.274 743 S C -1.706 172.420 174.600 -0.790 0.000 1.124 743 S CA -0.744 57.096 58.200 -0.600 0.000 0.869 743 S CB 1.840 64.865 63.200 -0.293 0.000 1.105 743 S HN 0.750 nan 8.310 nan 0.000 0.472 744 Y N 1.845 121.818 120.300 -0.545 0.000 2.399 744 Y HA 0.445 5.038 4.550 0.072 0.000 0.327 744 Y C 0.439 176.242 175.900 -0.162 0.000 1.111 744 Y CA -0.692 57.195 58.100 -0.354 0.000 1.047 744 Y CB 1.837 40.160 38.460 -0.229 0.000 1.259 744 Y HN 0.878 nan 8.280 nan 0.000 0.434 745 N N 2.614 121.068 118.700 -0.410 0.000 2.240 745 N HA 0.060 4.843 4.740 0.072 0.000 0.187 745 N C 1.363 176.783 175.510 -0.151 0.000 1.042 745 N CA 1.811 54.727 53.050 -0.224 0.000 0.861 745 N CB 0.258 38.617 38.487 -0.215 0.000 1.026 745 N HN 1.134 nan 8.380 nan 0.000 0.441 746 G N 0.125 108.744 108.800 -0.301 0.000 2.199 746 G HA2 -0.251 3.752 3.960 0.072 0.000 0.254 746 G HA3 -0.251 3.752 3.960 0.072 0.000 0.254 746 G C 0.301 175.235 174.900 0.056 0.000 0.982 746 G CA 1.050 46.132 45.100 -0.030 0.000 0.632 746 G HN 0.770 nan 8.290 nan 0.000 0.529 747 T N -1.070 113.469 114.554 -0.026 0.000 2.929 747 T HA 0.719 5.112 4.350 0.072 0.000 0.284 747 T C -0.437 174.232 174.700 -0.051 0.000 1.014 747 T CA -0.221 61.822 62.100 -0.095 0.000 1.051 747 T CB 1.872 70.650 68.868 -0.150 0.000 1.028 747 T HN 1.293 nan 8.240 nan 0.000 0.485 748 Y N -0.099 120.088 120.300 -0.188 0.000 2.322 748 Y HA 0.808 5.401 4.550 0.071 0.000 0.324 748 Y C -0.407 175.368 175.900 -0.207 0.000 1.027 748 Y CA -1.339 56.553 58.100 -0.347 0.000 1.179 748 Y CB 1.281 39.282 38.460 -0.765 0.000 1.136 748 Y HN 0.545 nan 8.280 nan 0.000 0.449 749 R N 2.372 122.814 120.500 -0.097 0.000 2.799 749 R HA 0.527 4.910 4.340 0.072 0.000 0.270 749 R C -3.199 173.148 176.300 0.078 0.000 1.010 749 R CA -2.219 53.853 56.100 -0.047 0.000 0.916 749 R CB 2.346 32.606 30.300 -0.067 0.000 1.228 749 R HN 0.408 nan 8.270 nan 0.000 0.469 750 P HA 0.168 nan 4.420 nan 0.000 0.270 750 P C -0.492 176.898 177.300 0.149 0.000 1.223 750 P CA -0.253 62.945 63.100 0.163 0.000 0.785 750 P CB 0.656 32.417 31.700 0.101 0.000 0.923 751 V N 0.000 120.040 119.914 0.209 0.000 2.409 751 V HA 0.000 4.163 4.120 0.072 0.000 0.244 751 V CA 0.000 62.380 62.300 0.134 0.000 1.235 751 V CB 0.000 31.940 31.823 0.195 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556