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 1u04_1_A DATA FIRST_RESID 0 DATA SEQUENCE SXKAIVVINL VKINKKIIPD KIYVYRLXXX XXXXXXXXXY SIYRLAYENV DATA SEQUENCE GIVIDPENLI IATTKELEYE GEFIPEGEIS FSELRNDYQS KLVLRLLKEN DATA SEQUENCE GIGEYELSKL LRKFRKPKTF GDYKVIPSVE XSVIKHDEDF YLVIHIIHQI DATA SEQUENCE QSXKTLWELV NKDPKELEEF LXTHKENLXL KDIASPLKTV YKPCFEEYTK DATA SEQUENCE KPKLDHNQEI VKYWYNYHIE RYWNTPEAKL EFYRKFGQVD LKQPAILAKF DATA SEQUENCE ASKXXXXXNY KIYLLPQLVV PTYNAEQLXX XXAKEILEYT KLXPEERKEL DATA SEQUENCE LENILAEVDS DIIDKSLSEI EVEKIAQELE NKIRVRDDKG NSVPISQXXX DATA SEQUENCE XXXXXLLWTN YSRKYPVILP YEVPEKFRKI REIPXFIILD SGLLADIQNF DATA SEQUENCE ATNEFRELVK SXYYXXXXXX XXXXXXXXXX XXXXXXXXXX XXXEKVITED DATA SEQUENCE LNSDKGIIEV VEQVSSFXKG KELGLAFIAA RNKLSSEKFE EIKRRLFNLN DATA SEQUENCE VISQVVNEDT LKNKRDKYDR NRLDLFVRHN LLFQVLSKLG VKYYVLDYRF DATA SEQUENCE NYDYIIGIDV APXKRSEGYI GGSAVXFDSQ GYIRKIVPIK IGEQRGESVD DATA SEQUENCE XNEFFKEXVD KFKEFNIKLD NKKILLLRDG RITNNEEEGL KYISEXFDIE DATA SEQUENCE VVTXDVIKNH PVRAFANXKX YFNLGGAIYL IPHKLKQAKG TPIPIKLAKK DATA SEQUENCE RIIKNGKVEK QSITRQDVLD IFILTRLNYG SISADXRLPA PVHYAHKFAN DATA SEQUENCE AIRNEWKIKE EFLAEGFLYF V 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.575 174.600 -0.042 0.000 1.055 0 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 0 S CB 0.000 63.181 63.200 -0.033 0.000 0.593 3 A N 0.743 123.508 122.820 -0.091 0.000 2.608 3 A HA 0.677 5.030 4.320 0.055 0.000 0.292 3 A C -1.850 175.675 177.584 -0.099 0.000 1.066 3 A CA -0.734 51.255 52.037 -0.081 0.000 0.676 3 A CB 1.088 20.045 19.000 -0.072 0.000 1.277 3 A HN 0.394 nan 8.150 nan 0.000 0.413 4 I N 1.938 122.454 120.570 -0.090 0.000 2.354 4 I HA 0.559 4.762 4.170 0.055 0.000 0.292 4 I C 0.039 176.088 176.117 -0.112 0.000 0.989 4 I CA -0.589 60.646 61.300 -0.108 0.000 1.188 4 I CB 0.735 38.686 38.000 -0.083 0.000 1.342 4 I HN 0.714 nan 8.210 nan 0.000 0.457 5 V N 5.004 124.820 119.914 -0.164 0.000 2.876 5 V HA 0.684 4.837 4.120 0.055 0.000 0.312 5 V C -0.363 175.621 176.094 -0.184 0.000 1.085 5 V CA -0.770 61.438 62.300 -0.153 0.000 0.945 5 V CB 1.995 33.709 31.823 -0.183 0.000 1.017 5 V HN 0.325 nan 8.190 nan 0.000 0.428 6 V N 5.242 125.098 119.914 -0.098 0.000 2.583 6 V HA 0.504 4.657 4.120 0.055 0.000 0.287 6 V C 0.356 176.319 176.094 -0.219 0.000 1.051 6 V CA 0.002 62.258 62.300 -0.074 0.000 1.010 6 V CB 1.033 32.917 31.823 0.102 0.000 0.988 6 V HN 0.943 nan 8.190 nan 0.000 0.478 7 I N 1.628 122.003 120.570 -0.326 0.000 2.957 7 I HA 0.598 4.801 4.170 0.055 0.000 0.310 7 I C 0.402 176.255 176.117 -0.440 0.000 1.063 7 I CA -1.046 59.914 61.300 -0.567 0.000 1.033 7 I CB 2.069 39.746 38.000 -0.539 0.000 1.230 7 I HN 0.544 nan 8.210 nan 0.000 0.447 8 N N 2.903 121.287 118.700 -0.527 0.000 2.652 8 N HA 0.196 4.970 4.740 0.055 0.000 0.259 8 N C -1.011 174.472 175.510 -0.046 0.000 1.240 8 N CA 0.009 52.970 53.050 -0.148 0.000 0.951 8 N CB -0.345 38.115 38.487 -0.045 0.000 1.281 8 N HN 0.539 nan 8.380 nan 0.000 0.507 9 L N -0.472 120.712 121.223 -0.066 0.000 2.341 9 L HA 0.598 4.971 4.340 0.055 0.000 0.267 9 L C -0.437 176.488 176.870 0.093 0.000 1.009 9 L CA -1.140 53.708 54.840 0.013 0.000 0.819 9 L CB 2.190 44.203 42.059 -0.077 0.000 1.323 9 L HN -0.027 nan 8.230 nan 0.000 0.425 10 V N 2.412 122.432 119.914 0.178 0.000 2.623 10 V HA 0.428 4.581 4.120 0.055 0.000 0.304 10 V C -0.382 175.830 176.094 0.196 0.000 1.054 10 V CA -0.862 61.539 62.300 0.168 0.000 0.882 10 V CB 1.774 33.654 31.823 0.096 0.000 1.002 10 V HN 0.765 nan 8.190 nan 0.000 0.424 11 K N 5.638 126.133 120.400 0.158 0.000 2.489 11 K HA 0.302 4.655 4.320 0.055 0.000 0.278 11 K C -0.577 175.956 176.600 -0.111 0.000 1.000 11 K CA -0.023 56.175 56.287 -0.150 0.000 1.012 11 K CB 0.406 32.830 32.500 -0.125 0.000 0.903 11 K HN 0.695 nan 8.250 nan 0.000 0.485 12 I N 3.446 123.916 120.570 -0.166 0.000 2.385 12 I HA 0.073 4.276 4.170 0.055 0.000 0.294 12 I C 0.250 176.328 176.117 -0.066 0.000 0.988 12 I CA -0.789 60.473 61.300 -0.064 0.000 1.265 12 I CB 1.524 39.516 38.000 -0.014 0.000 1.388 12 I HN 0.675 nan 8.210 nan 0.000 0.480 13 N N 4.276 122.947 118.700 -0.048 0.000 2.497 13 N HA -0.004 4.769 4.740 0.055 0.000 0.268 13 N C 1.210 176.689 175.510 -0.052 0.000 1.171 13 N CA -0.295 52.728 53.050 -0.045 0.000 0.948 13 N CB 0.759 39.224 38.487 -0.037 0.000 1.069 13 N HN 0.582 nan 8.380 nan 0.000 0.460 14 K N 3.350 123.727 120.400 -0.039 0.000 2.360 14 K HA -0.213 4.140 4.320 0.055 0.000 0.201 14 K C 1.063 177.606 176.600 -0.095 0.000 1.046 14 K CA 1.287 57.545 56.287 -0.049 0.000 0.945 14 K CB -0.093 32.400 32.500 -0.012 0.000 0.750 14 K HN 0.615 nan 8.250 nan 0.000 0.464 15 K N 1.002 121.356 120.400 -0.076 0.000 2.515 15 K HA -0.056 4.297 4.320 0.055 0.000 0.196 15 K C 1.794 178.327 176.600 -0.111 0.000 1.038 15 K CA 0.940 57.178 56.287 -0.082 0.000 0.967 15 K CB -0.194 32.273 32.500 -0.055 0.000 0.780 15 K HN 0.328 nan 8.250 nan 0.000 0.483 16 I N 1.287 121.774 120.570 -0.138 0.000 2.716 16 I HA 0.022 4.225 4.170 0.055 0.000 0.259 16 I C 0.488 176.452 176.117 -0.255 0.000 1.172 16 I CA 0.013 61.215 61.300 -0.164 0.000 1.478 16 I CB 0.238 38.146 38.000 -0.153 0.000 1.104 16 I HN 0.105 nan 8.210 nan 0.000 0.439 17 I N 4.589 124.944 120.570 -0.359 0.000 2.826 17 I HA -0.039 4.164 4.170 0.055 0.000 0.295 17 I C -1.806 174.086 176.117 -0.376 0.000 1.213 17 I CA -0.940 60.008 61.300 -0.587 0.000 1.436 17 I CB -0.235 37.370 38.000 -0.660 0.000 1.348 17 I HN 0.123 nan 8.210 nan 0.000 0.570 18 P HA 0.091 nan 4.420 nan 0.000 0.275 18 P C -0.269 176.944 177.300 -0.146 0.000 1.227 18 P CA -0.292 62.695 63.100 -0.188 0.000 0.781 18 P CB 1.186 32.805 31.700 -0.135 0.000 0.906 19 D N 2.039 122.377 120.400 -0.103 0.000 2.084 19 D HA -0.091 4.582 4.640 0.055 0.000 0.194 19 D C 0.696 176.936 176.300 -0.099 0.000 0.990 19 D CA 1.752 55.704 54.000 -0.080 0.000 0.826 19 D CB 0.219 40.988 40.800 -0.052 0.000 0.971 19 D HN 0.514 nan 8.370 nan 0.000 0.453 20 K N 0.724 121.036 120.400 -0.148 0.000 2.378 20 K HA 0.539 4.892 4.320 0.055 0.000 0.252 20 K C -0.716 175.605 176.600 -0.465 0.000 0.931 20 K CA -0.607 55.502 56.287 -0.297 0.000 0.794 20 K CB 2.410 34.698 32.500 -0.354 0.000 1.181 20 K HN -0.044 nan 8.250 nan 0.000 0.425 21 I N 2.419 122.711 120.570 -0.463 0.000 2.441 21 I HA 0.346 4.549 4.170 0.055 0.000 0.295 21 I C -0.977 174.809 176.117 -0.552 0.000 0.994 21 I CA -1.265 59.809 61.300 -0.378 0.000 1.144 21 I CB 1.175 39.099 38.000 -0.126 0.000 1.314 21 I HN 0.447 nan 8.210 nan 0.000 0.445 22 Y N 4.531 124.789 120.300 -0.070 0.000 2.328 22 Y HA 0.481 5.064 4.550 0.055 0.000 0.336 22 Y C -0.060 175.600 175.900 -0.401 0.000 0.960 22 Y CA -0.973 56.983 58.100 -0.240 0.000 1.134 22 Y CB 1.505 39.857 38.460 -0.179 0.000 1.166 22 Y HN 0.136 nan 8.280 nan 0.000 0.464 23 V N 4.506 124.215 119.914 -0.341 0.000 2.567 23 V HA 0.366 4.519 4.120 0.055 0.000 0.289 23 V C -0.800 174.990 176.094 -0.507 0.000 1.049 23 V CA -0.846 61.279 62.300 -0.292 0.000 0.969 23 V CB 0.565 32.289 31.823 -0.164 0.000 0.995 23 V HN 0.611 nan 8.190 nan 0.000 0.471 24 Y N 2.787 123.089 120.300 0.004 0.000 2.562 24 Y HA 0.719 5.302 4.550 0.055 0.000 0.345 24 Y C 0.001 175.906 175.900 0.008 0.000 1.045 24 Y CA -0.953 57.158 58.100 0.019 0.000 1.028 24 Y CB 1.944 40.353 38.460 -0.084 0.000 1.297 24 Y HN 0.561 nan 8.280 nan 0.000 0.463 25 R N 2.767 123.417 120.500 0.249 0.000 2.673 25 R HA 0.796 5.169 4.340 0.055 0.000 0.281 25 R C -2.123 174.300 176.300 0.206 0.000 0.991 25 R CA -0.423 55.768 56.100 0.151 0.000 0.896 25 R CB 1.478 31.840 30.300 0.103 0.000 1.201 25 R HN 0.843 nan 8.270 nan 0.000 0.457 40 S N 0.921 116.478 115.700 -0.239 0.000 2.683 40 S HA 0.293 4.796 4.470 0.055 0.000 0.264 40 S C -0.324 174.139 174.600 -0.229 0.000 1.066 40 S CA -0.374 57.759 58.200 -0.111 0.000 0.846 40 S CB 0.430 63.601 63.200 -0.047 0.000 1.114 40 S HN 1.049 nan 8.310 nan 0.000 0.476 41 I N 0.096 120.572 120.570 -0.156 0.000 2.546 41 I HA -0.005 4.198 4.170 0.055 0.000 0.255 41 I C 1.406 177.356 176.117 -0.278 0.000 1.163 41 I CA 1.137 62.285 61.300 -0.253 0.000 1.457 41 I CB -0.167 37.666 38.000 -0.279 0.000 1.092 41 I HN 0.739 nan 8.210 nan 0.000 0.434 42 Y N 1.019 121.226 120.300 -0.155 0.000 2.286 42 Y HA -0.048 4.535 4.550 0.055 0.000 0.293 42 Y C 2.617 178.434 175.900 -0.138 0.000 1.124 42 Y CA 1.215 59.247 58.100 -0.114 0.000 1.178 42 Y CB -0.249 38.151 38.460 -0.100 0.000 1.010 42 Y HN 0.023 nan 8.280 nan 0.000 0.536 43 R N -0.751 119.683 120.500 -0.110 0.000 2.115 43 R HA -0.091 4.282 4.340 0.055 0.000 0.226 43 R C 2.015 178.140 176.300 -0.293 0.000 1.100 43 R CA 0.985 56.943 56.100 -0.237 0.000 0.980 43 R CB -0.495 29.536 30.300 -0.448 0.000 0.875 43 R HN 0.259 nan 8.270 nan 0.000 0.445 44 L N 0.996 121.964 121.223 -0.426 0.000 1.976 44 L HA -0.070 4.303 4.340 0.055 0.000 0.209 44 L C 2.297 179.066 176.870 -0.169 0.000 1.071 44 L CA 2.088 56.729 54.840 -0.332 0.000 0.746 44 L CB -0.832 41.006 42.059 -0.368 0.000 0.890 44 L HN 0.106 nan 8.230 nan 0.000 0.432 45 A N -1.322 121.412 122.820 -0.144 0.000 1.917 45 A HA -0.340 4.013 4.320 0.055 0.000 0.219 45 A C 2.352 179.931 177.584 -0.008 0.000 1.182 45 A CA 2.239 54.233 52.037 -0.072 0.000 0.633 45 A CB -1.404 17.565 19.000 -0.052 0.000 0.819 45 A HN 0.710 nan 8.150 nan 0.000 0.448 46 Y N 0.657 120.913 120.300 -0.073 0.000 2.163 46 Y HA -0.175 4.408 4.550 0.055 0.000 0.288 46 Y C 2.284 178.158 175.900 -0.043 0.000 1.136 46 Y CA 2.208 60.283 58.100 -0.042 0.000 1.147 46 Y CB -0.219 38.214 38.460 -0.045 0.000 0.987 46 Y HN 0.468 nan 8.280 nan 0.000 0.509 47 E N -0.319 119.931 120.200 0.083 0.000 2.265 47 E HA -0.175 4.208 4.350 0.055 0.000 0.196 47 E C 0.884 177.448 176.600 -0.061 0.000 0.996 47 E CA 0.834 57.254 56.400 0.033 0.000 0.832 47 E CB -0.154 29.602 29.700 0.093 0.000 0.756 47 E HN 0.529 nan 8.360 nan 0.000 0.491 48 N N 0.622 119.274 118.700 -0.080 0.000 2.276 48 N HA 0.030 4.803 4.740 0.055 0.000 0.212 48 N C -0.500 174.966 175.510 -0.075 0.000 1.127 48 N CA 0.129 53.134 53.050 -0.075 0.000 0.834 48 N CB 1.252 39.684 38.487 -0.092 0.000 1.014 48 N HN -0.132 nan 8.380 nan 0.000 0.491 49 V N -0.218 119.604 119.914 -0.153 0.000 5.949 49 V HA -0.226 3.927 4.120 0.055 0.000 0.287 49 V C 0.751 176.801 176.094 -0.074 0.000 0.603 49 V CA 0.945 63.148 62.300 -0.161 0.000 0.608 49 V CB -2.148 29.615 31.823 -0.100 0.000 0.259 49 V HN 0.516 nan 8.190 nan 0.000 0.742 50 G N 0.192 108.952 108.800 -0.067 0.000 2.749 50 G HA2 0.956 4.949 3.960 0.055 0.000 0.300 50 G HA3 0.956 4.949 3.960 0.055 0.000 0.300 50 G C -1.231 173.683 174.900 0.024 0.000 1.352 50 G CA -0.238 44.862 45.100 0.001 0.000 0.789 50 G HN 1.109 nan 8.290 nan 0.000 0.509 51 I N -3.008 117.588 120.570 0.042 0.000 3.457 51 I HA 0.831 5.034 4.170 0.055 0.000 0.307 51 I C -0.618 175.503 176.117 0.007 0.000 1.138 51 I CA -1.755 59.589 61.300 0.074 0.000 0.974 51 I CB 1.446 39.524 38.000 0.129 0.000 1.324 51 I HN 0.334 nan 8.210 nan 0.000 0.485 52 V N 2.391 122.313 119.914 0.013 0.000 2.370 52 V HA 0.396 4.549 4.120 0.055 0.000 0.283 52 V C 0.867 176.869 176.094 -0.154 0.000 1.023 52 V CA -0.158 62.069 62.300 -0.122 0.000 0.857 52 V CB 0.884 32.527 31.823 -0.300 0.000 0.985 52 V HN 0.742 nan 8.190 nan 0.000 0.443 53 I N 1.700 122.092 120.570 -0.297 0.000 2.364 53 I HA 0.120 4.323 4.170 0.055 0.000 0.241 53 I C 0.706 176.590 176.117 -0.388 0.000 1.082 53 I CA 0.947 61.882 61.300 -0.608 0.000 1.401 53 I CB 0.324 38.029 38.000 -0.490 0.000 1.126 53 I HN 0.561 nan 8.210 nan 0.000 0.429 54 D N 0.704 120.980 120.400 -0.207 0.000 2.446 54 D HA 0.203 4.876 4.640 0.055 0.000 0.251 54 D C -1.983 174.267 176.300 -0.083 0.000 1.137 54 D CA -1.900 52.042 54.000 -0.097 0.000 0.890 54 D CB 1.860 42.614 40.800 -0.076 0.000 1.071 54 D HN -0.119 nan 8.370 nan 0.000 0.528 55 P HA -0.140 nan 4.420 nan 0.000 0.218 55 P C 1.040 178.317 177.300 -0.037 0.000 1.148 55 P CA 1.002 64.062 63.100 -0.067 0.000 0.822 55 P CB 0.620 32.346 31.700 0.043 0.000 0.784 56 E N -0.217 119.979 120.200 -0.007 0.000 1.999 56 E HA -0.086 4.297 4.350 0.055 0.000 0.194 56 E C 1.262 177.858 176.600 -0.008 0.000 0.995 56 E CA 1.040 57.443 56.400 0.004 0.000 0.825 56 E CB -1.543 28.166 29.700 0.015 0.000 0.777 56 E HN 0.327 nan 8.360 nan 0.000 0.459 57 N N 1.504 120.197 118.700 -0.012 0.000 2.551 57 N HA -0.004 4.769 4.740 0.055 0.000 0.199 57 N C 0.156 175.653 175.510 -0.022 0.000 1.277 57 N CA 0.076 53.120 53.050 -0.010 0.000 0.870 57 N CB -0.016 38.466 38.487 -0.008 0.000 1.028 57 N HN 0.190 nan 8.380 nan 0.000 0.452 58 L N 0.340 121.535 121.223 -0.046 0.000 3.833 58 L HA -0.223 4.150 4.340 0.055 0.000 0.447 58 L C -0.443 176.385 176.870 -0.070 0.000 1.213 58 L CA 0.500 55.296 54.840 -0.074 0.000 0.801 58 L CB -1.702 40.332 42.059 -0.042 0.000 1.676 58 L HN 0.234 nan 8.230 nan 0.000 0.883 59 I N 1.771 122.289 120.570 -0.086 0.000 2.304 59 I HA 0.431 4.634 4.170 0.055 0.000 0.291 59 I C 0.580 176.628 176.117 -0.115 0.000 1.018 59 I CA -0.413 60.841 61.300 -0.077 0.000 1.260 59 I CB 1.084 39.034 38.000 -0.084 0.000 1.390 59 I HN 0.207 nan 8.210 nan 0.000 0.475 60 I N 3.149 123.679 120.570 -0.066 0.000 2.693 60 I HA 0.926 5.129 4.170 0.055 0.000 0.303 60 I C -0.525 175.593 176.117 0.002 0.000 1.025 60 I CA -0.746 60.516 61.300 -0.064 0.000 1.086 60 I CB 2.184 40.140 38.000 -0.073 0.000 1.268 60 I HN 0.530 nan 8.210 nan 0.000 0.440 61 A N 3.654 126.468 122.820 -0.009 0.000 2.319 61 A HA 0.766 5.119 4.320 0.055 0.000 0.310 61 A C -0.387 177.245 177.584 0.079 0.000 1.152 61 A CA -0.442 51.605 52.037 0.017 0.000 0.783 61 A CB 1.206 20.180 19.000 -0.043 0.000 1.184 61 A HN 0.788 nan 8.150 nan 0.000 0.474 62 T N 1.081 115.742 114.554 0.178 0.000 2.912 62 T HA 0.519 4.902 4.350 0.055 0.000 0.288 62 T C 1.305 176.152 174.700 0.245 0.000 1.030 62 T CA 0.317 62.541 62.100 0.206 0.000 1.020 62 T CB 1.586 70.624 68.868 0.284 0.000 1.056 62 T HN 0.817 nan 8.240 nan 0.000 0.480 63 T N -0.989 113.669 114.554 0.174 0.000 3.069 63 T HA 0.316 4.699 4.350 0.055 0.000 0.252 63 T C 0.453 175.325 174.700 0.287 0.000 1.053 63 T CA -0.124 62.069 62.100 0.154 0.000 0.964 63 T CB 0.171 69.064 68.868 0.040 0.000 1.005 63 T HN 0.145 nan 8.240 nan 0.000 0.532 64 K N 1.367 121.933 120.400 0.278 0.000 2.395 64 K HA 0.412 4.765 4.320 0.055 0.000 0.245 64 K C -0.700 175.904 176.600 0.006 0.000 1.017 64 K CA -0.821 55.560 56.287 0.156 0.000 0.852 64 K CB 1.775 34.303 32.500 0.046 0.000 1.311 64 K HN 0.288 nan 8.250 nan 0.000 0.452 65 E N 2.458 122.585 120.200 -0.122 0.000 2.292 65 E HA -0.032 4.351 4.350 0.055 0.000 0.265 65 E C -0.184 176.316 176.600 -0.167 0.000 1.093 65 E CA -0.268 56.001 56.400 -0.219 0.000 0.922 65 E CB 0.307 29.919 29.700 -0.146 0.000 1.001 65 E HN 0.285 nan 8.360 nan 0.000 0.444 66 L N 5.339 126.408 121.223 -0.256 0.000 2.660 66 L HA -0.009 4.364 4.340 0.055 0.000 0.272 66 L C -0.602 176.075 176.870 -0.321 0.000 1.194 66 L CA 1.210 55.756 54.840 -0.490 0.000 0.945 66 L CB -0.017 41.202 42.059 -1.401 0.000 1.212 66 L HN 0.707 nan 8.230 nan 0.000 0.490 67 E N 6.508 126.592 120.200 -0.194 0.000 2.092 67 E HA 0.284 4.667 4.350 0.055 0.000 0.271 67 E C -1.693 174.928 176.600 0.035 0.000 0.919 67 E CA -0.466 55.901 56.400 -0.054 0.000 0.760 67 E CB 1.567 31.259 29.700 -0.014 0.000 1.106 67 E HN 0.470 nan 8.360 nan 0.000 0.408 68 Y N 1.655 121.900 120.300 -0.092 0.000 2.313 68 Y HA 0.115 4.698 4.550 0.055 0.000 0.320 68 Y C -0.391 175.573 175.900 0.106 0.000 1.171 68 Y CA -1.006 57.073 58.100 -0.034 0.000 1.093 68 Y CB 1.079 39.426 38.460 -0.188 0.000 1.224 68 Y HN 0.456 nan 8.280 nan 0.000 0.421 69 E N 3.512 123.581 120.200 -0.219 0.000 2.382 69 E HA 0.217 4.600 4.350 0.055 0.000 0.190 69 E C 0.633 176.950 176.600 -0.472 0.000 1.125 69 E CA 0.370 56.617 56.400 -0.255 0.000 0.929 69 E CB 0.303 29.905 29.700 -0.164 0.000 1.053 69 E HN 0.705 nan 8.360 nan 0.000 0.475 70 G N 1.164 109.358 108.800 -1.010 0.000 3.013 70 G HA2 0.320 4.313 3.960 0.055 0.000 0.278 70 G HA3 0.320 4.313 3.960 0.055 0.000 0.278 70 G C -0.817 173.907 174.900 -0.292 0.000 1.353 70 G CA -0.874 43.717 45.100 -0.848 0.000 1.043 70 G HN 0.045 nan 8.290 nan 0.000 0.523 71 E N -0.905 119.269 120.200 -0.042 0.000 2.383 71 E HA 0.559 4.942 4.350 0.055 0.000 0.264 71 E C -0.537 176.274 176.600 0.351 0.000 1.050 71 E CA -0.523 55.909 56.400 0.054 0.000 0.896 71 E CB 0.693 30.415 29.700 0.036 0.000 0.982 71 E HN 0.853 nan 8.360 nan 0.000 0.424 72 F N -0.870 119.154 119.950 0.124 0.000 2.767 72 F HA 0.388 4.948 4.527 0.055 0.000 0.317 72 F C -1.975 173.904 175.800 0.131 0.000 1.119 72 F CA -1.374 56.718 58.000 0.155 0.000 0.971 72 F CB 0.698 39.827 39.000 0.215 0.000 1.251 72 F HN 0.583 nan 8.300 nan 0.000 0.450 73 I N 4.912 125.694 120.570 0.353 0.000 2.382 73 I HA 0.522 4.725 4.170 0.055 0.000 0.286 73 I C -2.536 173.804 176.117 0.373 0.000 1.002 73 I CA -2.521 58.922 61.300 0.238 0.000 1.135 73 I CB 2.427 40.498 38.000 0.119 0.000 1.288 73 I HN 0.462 nan 8.210 nan 0.000 0.448 74 P HA 0.100 nan 4.420 nan 0.000 0.270 74 P C -0.510 176.834 177.300 0.073 0.000 1.242 74 P CA 0.021 63.291 63.100 0.283 0.000 0.768 74 P CB 0.770 32.660 31.700 0.316 0.000 0.820 75 E N 2.710 122.899 120.200 -0.018 0.000 2.321 75 E HA 0.196 4.580 4.350 0.055 0.000 0.189 75 E C 1.289 177.855 176.600 -0.057 0.000 1.125 75 E CA 0.133 56.517 56.400 -0.027 0.000 1.005 75 E CB -0.636 29.044 29.700 -0.033 0.000 1.140 75 E HN 0.782 nan 8.360 nan 0.000 0.457 76 G N 1.406 110.170 108.800 -0.061 0.000 2.829 76 G HA2 -0.265 3.728 3.960 0.055 0.000 0.628 76 G HA3 -0.265 3.728 3.960 0.055 0.000 0.628 76 G C -0.407 174.454 174.900 -0.066 0.000 1.412 76 G CA -0.634 44.444 45.100 -0.037 0.000 0.864 76 G HN 0.254 nan 8.290 nan 0.000 0.544 77 E N -1.069 119.116 120.200 -0.025 0.000 2.345 77 E HA 0.666 5.049 4.350 0.055 0.000 0.259 77 E C 0.418 176.957 176.600 -0.101 0.000 1.117 77 E CA -0.215 56.137 56.400 -0.081 0.000 0.913 77 E CB 1.780 31.436 29.700 -0.073 0.000 1.057 77 E HN 0.606 nan 8.360 nan 0.000 0.432 78 I N -0.130 120.356 120.570 -0.141 0.000 3.102 78 I HA 0.234 4.437 4.170 0.055 0.000 0.310 78 I C -1.221 174.843 176.117 -0.088 0.000 1.246 78 I CA -0.540 60.703 61.300 -0.096 0.000 0.979 78 I CB 2.147 40.094 38.000 -0.089 0.000 1.267 78 I HN 0.641 nan 8.210 nan 0.000 0.451 79 S N 3.145 118.821 115.700 -0.039 0.000 2.537 79 S HA 0.362 4.865 4.470 0.055 0.000 0.301 79 S C 0.531 175.170 174.600 0.065 0.000 1.092 79 S CA -0.592 57.613 58.200 0.009 0.000 1.048 79 S CB 1.478 64.689 63.200 0.018 0.000 1.053 79 S HN 0.661 nan 8.310 nan 0.000 0.501 80 F N 2.979 122.901 119.950 -0.047 0.000 2.184 80 F HA -0.189 4.371 4.527 0.055 0.000 0.301 80 F C 2.567 178.380 175.800 0.023 0.000 1.076 80 F CA 2.159 60.147 58.000 -0.020 0.000 1.295 80 F CB -0.597 38.385 39.000 -0.030 0.000 1.026 80 F HN 0.787 nan 8.300 nan 0.000 0.494 81 S N -0.885 114.877 115.700 0.102 0.000 2.447 81 S HA -0.188 4.315 4.470 0.055 0.000 0.233 81 S C 1.660 176.240 174.600 -0.033 0.000 1.006 81 S CA 1.337 59.557 58.200 0.034 0.000 0.957 81 S CB -0.614 62.628 63.200 0.069 0.000 0.773 81 S HN 0.635 nan 8.310 nan 0.000 0.507 82 E N 0.577 120.753 120.200 -0.040 0.000 2.385 82 E HA 0.239 4.622 4.350 0.055 0.000 0.194 82 E C -0.043 176.524 176.600 -0.055 0.000 1.013 82 E CA -0.105 56.271 56.400 -0.040 0.000 0.866 82 E CB -0.055 29.626 29.700 -0.030 0.000 0.832 82 E HN 0.531 nan 8.360 nan 0.000 0.500 83 L N 1.718 122.875 121.223 -0.110 0.000 2.426 83 L HA 0.176 4.549 4.340 0.055 0.000 0.271 83 L C 0.739 177.588 176.870 -0.035 0.000 1.169 83 L CA -0.320 54.475 54.840 -0.074 0.000 0.836 83 L CB 0.502 42.470 42.059 -0.151 0.000 1.112 83 L HN 0.002 nan 8.230 nan 0.000 0.465 84 R N 1.885 122.444 120.500 0.100 0.000 2.738 84 R HA -0.000 4.373 4.340 0.055 0.000 0.268 84 R C 1.250 177.546 176.300 -0.007 0.000 1.062 84 R CA -0.402 55.731 56.100 0.055 0.000 1.158 84 R CB 0.514 30.874 30.300 0.100 0.000 1.046 84 R HN 0.594 nan 8.270 nan 0.000 0.493 85 N N 2.209 120.891 118.700 -0.030 0.000 2.037 85 N HA -0.235 4.538 4.740 0.055 0.000 0.196 85 N C 0.785 176.291 175.510 -0.007 0.000 1.034 85 N CA 1.954 55.003 53.050 -0.001 0.000 0.861 85 N CB -0.374 38.108 38.487 -0.009 0.000 1.039 85 N HN 0.601 nan 8.380 nan 0.000 0.427 86 D N 0.271 120.588 120.400 -0.138 0.000 2.126 86 D HA -0.204 4.469 4.640 0.055 0.000 0.190 86 D C 1.930 178.095 176.300 -0.225 0.000 1.001 86 D CA 1.379 55.232 54.000 -0.245 0.000 0.841 86 D CB -0.605 39.892 40.800 -0.505 0.000 0.949 86 D HN 0.394 nan 8.370 nan 0.000 0.446 87 Y N 1.519 121.832 120.300 0.021 0.000 2.293 87 Y HA -0.079 4.504 4.550 0.055 0.000 0.291 87 Y C 2.692 178.580 175.900 -0.020 0.000 1.137 87 Y CA 0.554 58.657 58.100 0.004 0.000 1.202 87 Y CB -0.628 37.816 38.460 -0.026 0.000 0.990 87 Y HN 0.048 nan 8.280 nan 0.000 0.537 88 Q N -0.432 119.384 119.800 0.026 0.000 2.020 88 Q HA -0.177 4.196 4.340 0.055 0.000 0.202 88 Q C 2.404 178.466 176.000 0.103 0.000 0.982 88 Q CA 1.960 57.679 55.803 -0.140 0.000 0.838 88 Q CB -0.376 28.231 28.738 -0.218 0.000 0.899 88 Q HN 0.384 nan 8.270 nan 0.000 0.423 89 S N 0.834 116.675 115.700 0.234 0.000 2.368 89 S HA -0.129 4.374 4.470 0.055 0.000 0.225 89 S C 1.773 176.457 174.600 0.141 0.000 1.030 89 S CA 1.149 59.497 58.200 0.247 0.000 0.999 89 S CB -0.076 63.303 63.200 0.298 0.000 0.844 89 S HN 0.268 nan 8.310 nan 0.000 0.459 90 K N 0.581 121.060 120.400 0.133 0.000 2.057 90 K HA -0.031 4.322 4.320 0.055 0.000 0.207 90 K C 2.061 178.737 176.600 0.126 0.000 1.049 90 K CA 0.941 57.309 56.287 0.136 0.000 0.931 90 K CB -0.333 32.272 32.500 0.175 0.000 0.714 90 K HN 0.163 nan 8.250 nan 0.000 0.440 91 L N 0.957 122.262 121.223 0.136 0.000 2.083 91 L HA -0.139 4.234 4.340 0.055 0.000 0.209 91 L C 1.931 178.832 176.870 0.051 0.000 1.083 91 L CA 1.445 56.355 54.840 0.116 0.000 0.752 91 L CB -0.204 41.967 42.059 0.186 0.000 0.899 91 L HN -0.092 nan 8.230 nan 0.000 0.433 92 V N -0.763 119.159 119.914 0.014 0.000 2.427 92 V HA -0.233 3.920 4.120 0.055 0.000 0.248 92 V C 2.445 178.528 176.094 -0.019 0.000 1.051 92 V CA 1.424 63.671 62.300 -0.088 0.000 1.048 92 V CB -0.600 31.083 31.823 -0.233 0.000 0.666 92 V HN 0.476 nan 8.190 nan 0.000 0.456 93 L N 0.745 121.991 121.223 0.039 0.000 2.012 93 L HA -0.186 4.187 4.340 0.055 0.000 0.210 93 L C 2.559 179.463 176.870 0.058 0.000 1.073 93 L CA 2.289 57.169 54.840 0.065 0.000 0.748 93 L CB -0.751 41.365 42.059 0.096 0.000 0.891 93 L HN 0.260 nan 8.230 nan 0.000 0.431 94 R N -0.439 120.093 120.500 0.053 0.000 2.081 94 R HA -0.120 4.253 4.340 0.055 0.000 0.235 94 R C 2.168 178.448 176.300 -0.033 0.000 1.131 94 R CA 1.847 57.958 56.100 0.019 0.000 0.960 94 R CB -0.816 29.481 30.300 -0.004 0.000 0.856 94 R HN 0.507 nan 8.270 nan 0.000 0.436 95 L N -0.131 121.070 121.223 -0.037 0.000 2.093 95 L HA -0.129 4.245 4.340 0.055 0.000 0.208 95 L C 2.314 179.161 176.870 -0.039 0.000 1.085 95 L CA 1.044 55.849 54.840 -0.058 0.000 0.755 95 L CB -0.419 41.586 42.059 -0.090 0.000 0.904 95 L HN 0.229 nan 8.230 nan 0.000 0.435 96 L N -0.118 121.094 121.223 -0.018 0.000 2.042 96 L HA -0.256 4.117 4.340 0.055 0.000 0.210 96 L C 2.679 179.562 176.870 0.021 0.000 1.076 96 L CA 1.230 56.072 54.840 0.003 0.000 0.749 96 L CB -0.415 41.659 42.059 0.024 0.000 0.893 96 L HN 0.203 nan 8.230 nan 0.000 0.432 97 K N 0.233 120.653 120.400 0.034 0.000 2.103 97 K HA -0.196 4.157 4.320 0.055 0.000 0.207 97 K C 1.943 178.561 176.600 0.030 0.000 1.048 97 K CA 1.267 57.589 56.287 0.058 0.000 0.930 97 K CB -0.036 32.520 32.500 0.094 0.000 0.716 97 K HN 0.114 nan 8.250 nan 0.000 0.444 98 E N 0.216 120.408 120.200 -0.013 0.000 2.338 98 E HA -0.104 4.279 4.350 0.055 0.000 0.197 98 E C 0.407 177.004 176.600 -0.004 0.000 1.007 98 E CA 0.782 57.168 56.400 -0.024 0.000 0.849 98 E CB -0.175 29.493 29.700 -0.053 0.000 0.774 98 E HN 0.386 nan 8.360 nan 0.000 0.506 99 N N -0.731 117.971 118.700 0.003 0.000 2.251 99 N HA 0.164 4.938 4.740 0.055 0.000 0.217 99 N C 0.575 176.100 175.510 0.025 0.000 1.124 99 N CA 0.571 53.626 53.050 0.008 0.000 0.843 99 N CB 1.217 39.703 38.487 -0.002 0.000 1.024 99 N HN 0.136 nan 8.380 nan 0.000 0.501 100 G N 0.559 109.384 108.800 0.041 0.000 2.143 100 G HA2 -0.267 3.726 3.960 0.055 0.000 0.248 100 G HA3 -0.267 3.726 3.960 0.055 0.000 0.248 100 G C -0.056 174.881 174.900 0.062 0.000 0.991 100 G CA -0.206 44.930 45.100 0.060 0.000 0.689 100 G HN 0.346 nan 8.290 nan 0.000 0.522 101 I N 1.578 122.182 120.570 0.057 0.000 2.412 101 I HA 0.585 4.788 4.170 0.055 0.000 0.279 101 I C 0.870 177.032 176.117 0.076 0.000 1.063 101 I CA 0.010 61.344 61.300 0.058 0.000 1.193 101 I CB 0.854 38.880 38.000 0.044 0.000 1.370 101 I HN 0.230 nan 8.210 nan 0.000 0.479 102 G N 3.195 112.051 108.800 0.094 0.000 2.725 102 G HA2 0.340 4.333 3.960 0.055 0.000 0.288 102 G HA3 0.340 4.333 3.960 0.055 0.000 0.288 102 G C 0.127 175.094 174.900 0.110 0.000 1.399 102 G CA -0.331 44.839 45.100 0.115 0.000 0.859 102 G HN 0.484 nan 8.290 nan 0.000 0.479 103 E N -0.996 119.274 120.200 0.116 0.000 2.085 103 E HA -0.200 4.183 4.350 0.055 0.000 0.194 103 E C 1.756 178.425 176.600 0.114 0.000 0.994 103 E CA 1.442 57.901 56.400 0.099 0.000 0.801 103 E CB -0.135 29.620 29.700 0.091 0.000 0.743 103 E HN 0.502 nan 8.360 nan 0.000 0.453 104 Y N 2.212 122.532 120.300 0.034 0.000 2.070 104 Y HA -0.273 4.310 4.550 0.055 0.000 0.280 104 Y C 1.968 177.889 175.900 0.035 0.000 1.148 104 Y CA 2.124 60.242 58.100 0.031 0.000 1.125 104 Y CB -0.235 38.244 38.460 0.032 0.000 0.975 104 Y HN -0.087 nan 8.280 nan 0.000 0.492 105 E N 0.264 120.419 120.200 -0.075 0.000 2.058 105 E HA -0.179 4.204 4.350 0.055 0.000 0.194 105 E C 2.004 178.535 176.600 -0.115 0.000 0.997 105 E CA 1.739 58.041 56.400 -0.164 0.000 0.801 105 E CB -0.629 29.080 29.700 0.014 0.000 0.746 105 E HN 0.408 nan 8.360 nan 0.000 0.450 106 L N 0.345 121.551 121.223 -0.029 0.000 2.217 106 L HA -0.055 4.318 4.340 0.055 0.000 0.211 106 L C 2.102 178.963 176.870 -0.015 0.000 1.107 106 L CA 1.231 56.070 54.840 -0.003 0.000 0.783 106 L CB -0.393 41.684 42.059 0.030 0.000 0.919 106 L HN -0.000 nan 8.230 nan 0.000 0.442 107 S N -0.751 114.924 115.700 -0.041 0.000 2.383 107 S HA -0.151 4.352 4.470 0.055 0.000 0.227 107 S C 1.952 176.514 174.600 -0.064 0.000 1.026 107 S CA 1.035 59.212 58.200 -0.040 0.000 0.981 107 S CB -0.064 63.121 63.200 -0.026 0.000 0.818 107 S HN 0.400 nan 8.310 nan 0.000 0.472 108 K N 1.019 121.334 120.400 -0.142 0.000 2.057 108 K HA 0.036 4.389 4.320 0.055 0.000 0.206 108 K C 1.973 178.526 176.600 -0.079 0.000 1.050 108 K CA 0.954 57.151 56.287 -0.149 0.000 0.935 108 K CB -0.330 32.008 32.500 -0.269 0.000 0.715 108 K HN 0.276 nan 8.250 nan 0.000 0.439 109 L N 0.768 121.968 121.223 -0.039 0.000 2.042 109 L HA -0.210 4.163 4.340 0.055 0.000 0.210 109 L C 2.461 179.418 176.870 0.144 0.000 1.076 109 L CA 0.667 55.537 54.840 0.049 0.000 0.749 109 L CB -0.527 41.590 42.059 0.097 0.000 0.893 109 L HN 0.198 nan 8.230 nan 0.000 0.432 110 L N 0.207 121.504 121.223 0.124 0.000 2.042 110 L HA -0.205 4.168 4.340 0.055 0.000 0.210 110 L C 2.564 179.517 176.870 0.139 0.000 1.076 110 L CA 1.739 56.683 54.840 0.173 0.000 0.749 110 L CB -0.501 41.595 42.059 0.062 0.000 0.893 110 L HN 0.089 nan 8.230 nan 0.000 0.432 111 R N -0.479 120.043 120.500 0.036 0.000 2.357 111 R HA -0.081 4.292 4.340 0.055 0.000 0.202 111 R C 1.892 178.148 176.300 -0.073 0.000 1.047 111 R CA 0.576 56.681 56.100 0.009 0.000 1.034 111 R CB -0.192 30.107 30.300 -0.001 0.000 0.875 111 R HN 0.464 nan 8.270 nan 0.000 0.473 112 K N -0.566 119.714 120.400 -0.200 0.000 2.296 112 K HA -0.015 4.338 4.320 0.055 0.000 0.200 112 K C 0.840 177.042 176.600 -0.662 0.000 1.048 112 K CA 0.979 56.970 56.287 -0.493 0.000 0.966 112 K CB 0.267 32.307 32.500 -0.767 0.000 0.754 112 K HN 0.125 nan 8.250 nan 0.000 0.466 113 F N -0.350 119.605 119.950 0.008 0.000 2.592 113 F HA 0.202 4.762 4.527 0.055 0.000 0.280 113 F C 0.765 176.583 175.800 0.029 0.000 1.083 113 F CA -0.468 57.539 58.000 0.011 0.000 1.365 113 F CB 0.440 39.438 39.000 -0.004 0.000 1.100 113 F HN -0.279 nan 8.300 nan 0.000 0.633 114 R N 1.891 122.511 120.500 0.200 0.000 2.352 114 R HA 0.319 4.692 4.340 0.055 0.000 0.304 114 R C -1.005 175.399 176.300 0.173 0.000 1.104 114 R CA -0.405 55.796 56.100 0.169 0.000 0.991 114 R CB 0.193 30.563 30.300 0.116 0.000 1.140 114 R HN -0.024 nan 8.270 nan 0.000 0.540 115 K N 3.991 124.503 120.400 0.187 0.000 2.126 115 K HA 0.339 4.692 4.320 0.055 0.000 0.257 115 K C -2.231 174.495 176.600 0.210 0.000 1.007 115 K CA -1.739 54.635 56.287 0.145 0.000 0.928 115 K CB 0.534 33.080 32.500 0.076 0.000 1.013 115 K HN 0.336 nan 8.250 nan 0.000 0.473 116 P HA 0.033 nan 4.420 nan 0.000 0.269 116 P C -1.145 176.173 177.300 0.029 0.000 1.209 116 P CA 0.057 63.239 63.100 0.138 0.000 0.776 116 P CB 0.556 32.310 31.700 0.090 0.000 0.876 117 K N 0.967 121.345 120.400 -0.036 0.000 2.427 117 K HA 0.523 4.876 4.320 0.055 0.000 0.252 117 K C -0.970 175.530 176.600 -0.167 0.000 0.931 117 K CA -0.585 55.539 56.287 -0.272 0.000 0.793 117 K CB 1.303 33.360 32.500 -0.738 0.000 1.211 117 K HN 0.458 nan 8.250 nan 0.000 0.426 118 T N 0.209 114.592 114.554 -0.285 0.000 2.829 118 T HA 0.566 4.949 4.350 0.055 0.000 0.282 118 T C -0.544 173.939 174.700 -0.360 0.000 0.990 118 T CA -0.575 61.441 62.100 -0.141 0.000 1.028 118 T CB 0.282 69.100 68.868 -0.083 0.000 0.951 118 T HN 0.291 nan 8.240 nan 0.000 0.460 119 F N 1.987 121.957 119.950 0.034 0.000 2.496 119 F HA 0.604 5.164 4.527 0.055 0.000 0.341 119 F C 1.346 177.212 175.800 0.110 0.000 1.134 119 F CA -0.097 57.933 58.000 0.049 0.000 0.968 119 F CB 1.498 40.527 39.000 0.048 0.000 1.205 119 F HN 1.181 nan 8.300 nan 0.000 0.436 120 G N 3.027 111.940 108.800 0.188 0.000 2.591 120 G HA2 -0.324 3.669 3.960 0.055 0.000 0.298 120 G HA3 -0.324 3.669 3.960 0.055 0.000 0.298 120 G C 0.527 175.492 174.900 0.109 0.000 1.195 120 G CA 0.510 45.707 45.100 0.161 0.000 0.989 120 G HN 0.545 nan 8.290 nan 0.000 0.551 121 D N 0.523 120.975 120.400 0.087 0.000 2.328 121 D HA 0.259 4.932 4.640 0.055 0.000 0.221 121 D C 0.122 176.266 176.300 -0.260 0.000 1.072 121 D CA 0.570 54.497 54.000 -0.121 0.000 0.850 121 D CB 0.122 40.773 40.800 -0.249 0.000 0.922 121 D HN 0.325 nan 8.370 nan 0.000 0.516 122 Y N 0.647 121.022 120.300 0.125 0.000 2.409 122 Y HA 0.307 4.890 4.550 0.055 0.000 0.339 122 Y C 0.609 176.609 175.900 0.168 0.000 1.033 122 Y CA -0.891 57.301 58.100 0.152 0.000 1.094 122 Y CB 1.834 40.398 38.460 0.174 0.000 1.210 122 Y HN -0.420 nan 8.280 nan 0.000 0.456 123 K N 2.264 122.839 120.400 0.292 0.000 2.244 123 K HA 0.620 4.973 4.320 0.055 0.000 0.260 123 K C -1.679 175.085 176.600 0.273 0.000 0.951 123 K CA -0.631 55.792 56.287 0.228 0.000 0.826 123 K CB 1.235 33.815 32.500 0.132 0.000 1.108 123 K HN 0.535 nan 8.250 nan 0.000 0.433 124 V N 6.495 126.588 119.914 0.299 0.000 2.385 124 V HA 0.292 4.445 4.120 0.055 0.000 0.269 124 V C 0.037 176.318 176.094 0.312 0.000 1.043 124 V CA -0.470 62.027 62.300 0.328 0.000 0.906 124 V CB 0.777 32.855 31.823 0.424 0.000 0.995 124 V HN 0.656 nan 8.190 nan 0.000 0.467 125 I N 7.955 128.688 120.570 0.272 0.000 2.354 125 I HA 0.368 4.571 4.170 0.055 0.000 0.286 125 I C -2.521 173.692 176.117 0.160 0.000 1.007 125 I CA -1.991 59.431 61.300 0.203 0.000 1.167 125 I CB 1.984 40.070 38.000 0.144 0.000 1.320 125 I HN 0.404 nan 8.210 nan 0.000 0.458 126 P HA 0.257 nan 4.420 nan 0.000 0.278 126 P C -0.605 176.643 177.300 -0.087 0.000 1.238 126 P CA -0.165 62.874 63.100 -0.102 0.000 0.794 126 P CB 1.286 32.965 31.700 -0.034 0.000 0.955 127 S N 0.878 116.480 115.700 -0.164 0.000 2.672 127 S HA 0.713 5.216 4.470 0.055 0.000 0.271 127 S C -0.860 173.673 174.600 -0.111 0.000 1.171 127 S CA -0.766 57.384 58.200 -0.084 0.000 0.817 127 S CB 0.842 64.024 63.200 -0.029 0.000 1.150 127 S HN 0.303 nan 8.310 nan 0.000 0.478 128 V N -1.064 118.819 119.914 -0.051 0.000 2.680 128 V HA 0.838 4.991 4.120 0.055 0.000 0.309 128 V C -0.283 175.814 176.094 0.005 0.000 1.052 128 V CA -0.570 61.707 62.300 -0.038 0.000 0.908 128 V CB 1.167 32.991 31.823 0.002 0.000 1.001 128 V HN 1.187 nan 8.190 nan 0.000 0.431 132 V N 1.467 121.471 119.914 0.149 0.000 2.487 132 V HA 0.596 4.749 4.120 0.055 0.000 0.298 132 V C -0.703 175.525 176.094 0.224 0.000 1.028 132 V CA -0.539 61.880 62.300 0.198 0.000 0.860 132 V CB 1.320 33.268 31.823 0.208 0.000 0.991 132 V HN 0.832 nan 8.190 nan 0.000 0.427 133 I N 4.148 124.869 120.570 0.251 0.000 2.433 133 I HA 0.473 4.676 4.170 0.055 0.000 0.292 133 I C -0.074 176.201 176.117 0.263 0.000 1.001 133 I CA -0.724 60.711 61.300 0.224 0.000 1.119 133 I CB 1.991 40.090 38.000 0.164 0.000 1.289 133 I HN 0.495 nan 8.210 nan 0.000 0.438 134 K N 4.960 125.454 120.400 0.156 0.000 2.264 134 K HA 0.162 4.515 4.320 0.055 0.000 0.277 134 K C 0.357 177.001 176.600 0.072 0.000 1.067 134 K CA -0.341 55.911 56.287 -0.059 0.000 0.900 134 K CB 0.709 33.058 32.500 -0.252 0.000 1.124 134 K HN 0.548 nan 8.250 nan 0.000 0.469 135 H N 3.978 123.081 119.070 0.054 0.000 2.435 135 H HA -0.098 4.491 4.556 0.055 0.000 0.309 135 H C 0.653 175.972 175.328 -0.015 0.000 1.041 135 H CA 2.612 58.681 56.048 0.034 0.000 1.277 135 H CB 0.328 30.122 29.762 0.052 0.000 1.455 135 H HN 0.834 nan 8.280 nan 0.000 0.581 136 D N -1.200 119.066 120.400 -0.224 0.000 2.999 136 D HA -0.006 4.667 4.640 0.055 0.000 0.273 136 D C 1.396 177.597 176.300 -0.166 0.000 1.485 136 D CA 0.698 54.544 54.000 -0.257 0.000 1.101 136 D CB -0.464 40.155 40.800 -0.302 0.000 1.109 136 D HN 0.691 nan 8.370 nan 0.000 0.368 137 E N -0.211 119.916 120.200 -0.121 0.000 2.526 137 E HA 0.169 4.552 4.350 0.055 0.000 0.208 137 E C -0.405 176.093 176.600 -0.169 0.000 0.997 137 E CA -0.297 56.033 56.400 -0.117 0.000 0.961 137 E CB 0.241 29.917 29.700 -0.041 0.000 1.030 137 E HN 0.173 nan 8.360 nan 0.000 0.483 138 D N 0.581 120.885 120.400 -0.159 0.000 2.272 138 D HA 0.327 5.000 4.640 0.055 0.000 0.247 138 D C -0.907 175.153 176.300 -0.400 0.000 0.990 138 D CA -0.437 53.445 54.000 -0.198 0.000 0.931 138 D CB 1.351 42.092 40.800 -0.099 0.000 1.195 138 D HN -0.066 nan 8.370 nan 0.000 0.477 139 F N 0.724 120.575 119.950 -0.164 0.000 2.458 139 F HA 0.367 4.927 4.527 0.055 0.000 0.336 139 F C -0.341 175.268 175.800 -0.318 0.000 1.114 139 F CA -0.705 57.251 58.000 -0.074 0.000 0.987 139 F CB 1.121 40.126 39.000 0.009 0.000 1.130 139 F HN 0.144 nan 8.300 nan 0.000 0.458 140 Y N 2.974 123.399 120.300 0.208 0.000 2.409 140 Y HA 0.539 5.122 4.550 0.055 0.000 0.343 140 Y C -0.701 175.268 175.900 0.116 0.000 0.973 140 Y CA -1.219 56.952 58.100 0.120 0.000 1.064 140 Y CB 1.897 40.385 38.460 0.046 0.000 1.207 140 Y HN 0.414 nan 8.280 nan 0.000 0.452 141 L N 4.010 125.365 121.223 0.220 0.000 2.276 141 L HA 0.613 4.986 4.340 0.055 0.000 0.286 141 L C -1.070 175.886 176.870 0.143 0.000 1.061 141 L CA -0.424 54.511 54.840 0.158 0.000 0.807 141 L CB 0.732 42.858 42.059 0.112 0.000 1.177 141 L HN 0.436 nan 8.230 nan 0.000 0.429 142 V N 7.153 127.142 119.914 0.125 0.000 2.383 142 V HA 0.381 4.534 4.120 0.055 0.000 0.275 142 V C 0.270 176.432 176.094 0.113 0.000 1.036 142 V CA -0.273 62.085 62.300 0.097 0.000 0.889 142 V CB 1.035 32.907 31.823 0.082 0.000 0.985 142 V HN 0.598 nan 8.190 nan 0.000 0.459 143 I N 5.056 125.697 120.570 0.118 0.000 2.382 143 I HA 0.397 4.600 4.170 0.055 0.000 0.285 143 I C -0.667 175.564 176.117 0.190 0.000 1.007 143 I CA -0.474 60.905 61.300 0.131 0.000 1.142 143 I CB 1.130 39.194 38.000 0.106 0.000 1.289 143 I HN 0.656 nan 8.210 nan 0.000 0.453 144 H N 7.079 126.186 119.070 0.062 0.000 2.589 144 H HA 0.535 5.124 4.556 0.055 0.000 0.335 144 H C -0.894 174.459 175.328 0.042 0.000 1.019 144 H CA -0.574 55.512 56.048 0.064 0.000 1.213 144 H CB 1.293 31.086 29.762 0.052 0.000 1.472 144 H HN 0.453 nan 8.280 nan 0.000 0.508 145 I N 7.571 127.987 120.570 -0.256 0.000 2.396 145 I HA 0.176 4.380 4.170 0.055 0.000 0.289 145 I C 0.348 176.139 176.117 -0.544 0.000 1.056 145 I CA -0.062 61.047 61.300 -0.319 0.000 1.365 145 I CB 0.093 38.005 38.000 -0.147 0.000 1.407 145 I HN 0.538 nan 8.210 nan 0.000 0.509 146 I N 2.892 123.181 120.570 -0.469 0.000 3.322 146 I HA 0.657 4.860 4.170 0.055 0.000 0.313 146 I C -1.239 174.611 176.117 -0.446 0.000 1.129 146 I CA -0.948 60.163 61.300 -0.316 0.000 0.963 146 I CB 2.311 40.208 38.000 -0.172 0.000 1.273 146 I HN 0.381 nan 8.210 nan 0.000 0.473 147 H N 0.007 119.074 119.070 -0.005 0.000 2.894 147 H HA 0.597 5.186 4.556 0.055 0.000 0.367 147 H C -1.434 173.941 175.328 0.079 0.000 1.144 147 H CA -0.599 55.479 56.048 0.050 0.000 1.180 147 H CB 1.855 31.656 29.762 0.066 0.000 1.758 147 H HN 0.475 nan 8.280 nan 0.000 0.541 148 Q N 1.432 121.357 119.800 0.209 0.000 2.266 148 Q HA 0.593 4.966 4.340 0.055 0.000 0.261 148 Q C -0.629 175.508 176.000 0.229 0.000 0.985 148 Q CA -0.414 55.502 55.803 0.188 0.000 0.873 148 Q CB 2.365 31.189 28.738 0.143 0.000 1.306 148 Q HN 0.527 nan 8.270 nan 0.000 0.447 149 I N 1.794 122.515 120.570 0.253 0.000 2.382 149 I HA 0.303 4.506 4.170 0.055 0.000 0.286 149 I C -0.670 175.665 176.117 0.363 0.000 1.002 149 I CA -0.536 60.944 61.300 0.300 0.000 1.135 149 I CB 1.468 39.623 38.000 0.258 0.000 1.288 149 I HN 0.435 nan 8.210 nan 0.000 0.448 150 Q N 5.023 125.022 119.800 0.332 0.000 2.330 150 Q HA 0.399 4.772 4.340 0.055 0.000 0.269 150 Q C -0.474 175.664 176.000 0.230 0.000 1.022 150 Q CA -0.369 55.593 55.803 0.264 0.000 0.796 150 Q CB 2.266 31.099 28.738 0.159 0.000 1.271 150 Q HN 0.716 nan 8.270 nan 0.000 0.450 154 T N -0.496 114.050 114.554 -0.012 0.000 2.855 154 T HA 0.051 4.434 4.350 0.055 0.000 0.314 154 T C 1.240 175.937 174.700 -0.004 0.000 1.077 154 T CA -0.543 61.577 62.100 0.033 0.000 1.095 154 T CB 0.585 69.523 68.868 0.117 0.000 0.987 154 T HN 0.538 nan 8.240 nan 0.000 0.546 155 L N 1.145 122.368 121.223 0.001 0.000 2.042 155 L HA 0.027 4.400 4.340 0.055 0.000 0.210 155 L C 2.215 179.105 176.870 0.032 0.000 1.076 155 L CA 1.564 56.366 54.840 -0.063 0.000 0.749 155 L CB -1.103 40.945 42.059 -0.017 0.000 0.893 155 L HN 0.873 nan 8.230 nan 0.000 0.432 156 W N 0.291 121.533 121.300 -0.097 0.000 2.355 156 W HA -0.203 4.490 4.660 0.055 0.000 0.309 156 W C 2.193 178.674 176.519 -0.064 0.000 1.206 156 W CA 1.279 58.585 57.345 -0.064 0.000 1.284 156 W CB 0.187 29.630 29.460 -0.029 0.000 1.145 156 W HN 0.211 nan 8.180 nan 0.000 0.502 157 E N 0.689 120.890 120.200 0.001 0.000 2.110 157 E HA -0.201 4.182 4.350 0.055 0.000 0.193 157 E C 2.235 178.737 176.600 -0.164 0.000 0.988 157 E CA 1.195 57.520 56.400 -0.125 0.000 0.804 157 E CB -0.876 28.793 29.700 -0.052 0.000 0.745 157 E HN 0.442 nan 8.360 nan 0.000 0.458 158 L N 0.727 121.857 121.223 -0.156 0.000 2.079 158 L HA -0.144 4.229 4.340 0.055 0.000 0.210 158 L C 2.268 179.032 176.870 -0.177 0.000 1.081 158 L CA 1.176 55.908 54.840 -0.179 0.000 0.752 158 L CB -0.438 41.453 42.059 -0.280 0.000 0.896 158 L HN 0.065 nan 8.230 nan 0.000 0.433 159 V N -3.726 116.056 119.914 -0.220 0.000 3.577 159 V HA 0.184 4.337 4.120 0.055 0.000 0.294 159 V C 0.493 176.443 176.094 -0.240 0.000 1.317 159 V CA -0.260 61.936 62.300 -0.173 0.000 1.169 159 V CB -0.802 30.950 31.823 -0.118 0.000 1.011 159 V HN 0.587 nan 8.190 nan 0.000 0.426 160 N N 1.757 120.284 118.700 -0.288 0.000 2.740 160 N HA -0.224 4.549 4.740 0.055 0.000 0.248 160 N C 0.392 175.589 175.510 -0.522 0.000 1.062 160 N CA 1.183 54.044 53.050 -0.314 0.000 0.704 160 N CB -1.363 37.016 38.487 -0.180 0.000 0.968 160 N HN 0.878 nan 8.380 nan 0.000 0.547 161 K N -1.548 118.245 120.400 -1.012 0.000 2.975 161 K HA -0.250 4.103 4.320 0.055 0.000 0.257 161 K C -0.374 175.588 176.600 -1.063 0.000 1.005 161 K CA 1.453 56.611 56.287 -1.881 0.000 0.738 161 K CB -0.778 31.065 32.500 -1.095 0.000 1.236 161 K HN 0.545 nan 8.250 nan 0.000 0.483 162 D N -0.807 119.233 120.400 -0.600 0.000 2.392 162 D HA 0.223 4.896 4.640 0.055 0.000 0.228 162 D C -1.683 174.639 176.300 0.036 0.000 1.074 162 D CA -2.679 51.216 54.000 -0.174 0.000 0.838 162 D CB 1.435 42.174 40.800 -0.101 0.000 1.067 162 D HN -0.242 nan 8.370 nan 0.000 0.511 163 P HA -0.166 nan 4.420 nan 0.000 0.216 163 P C 0.404 177.838 177.300 0.223 0.000 1.150 163 P CA 0.918 64.224 63.100 0.343 0.000 0.843 163 P CB 0.202 32.137 31.700 0.392 0.000 0.787 164 K N -0.046 120.442 120.400 0.146 0.000 3.001 164 K HA 0.049 4.402 4.320 0.055 0.000 0.257 164 K C 0.570 177.228 176.600 0.097 0.000 1.290 164 K CA 0.326 56.681 56.287 0.113 0.000 1.252 164 K CB -0.785 31.762 32.500 0.079 0.000 1.656 164 K HN 0.176 nan 8.250 nan 0.000 0.351 165 E N -0.410 119.862 120.200 0.121 0.000 2.090 165 E HA -0.024 4.359 4.350 0.055 0.000 0.208 165 E C 0.943 177.654 176.600 0.184 0.000 1.032 165 E CA 0.008 56.480 56.400 0.121 0.000 1.430 165 E CB -0.319 29.416 29.700 0.059 0.000 3.680 165 E HN 0.255 nan 8.360 nan 0.000 1.007 166 L N 1.807 123.141 121.223 0.186 0.000 2.005 166 L HA 0.009 4.382 4.340 0.055 0.000 0.207 166 L C 2.365 179.399 176.870 0.273 0.000 1.072 166 L CA 2.210 57.192 54.840 0.236 0.000 0.744 166 L CB -0.169 42.062 42.059 0.286 0.000 0.895 166 L HN 0.285 nan 8.230 nan 0.000 0.433 167 E N -0.174 120.157 120.200 0.219 0.000 2.153 167 E HA -0.277 4.106 4.350 0.055 0.000 0.194 167 E C 1.889 178.620 176.600 0.218 0.000 0.988 167 E CA 1.471 57.989 56.400 0.196 0.000 0.811 167 E CB 0.018 29.813 29.700 0.158 0.000 0.746 167 E HN 0.609 nan 8.360 nan 0.000 0.466 168 E N -0.314 120.011 120.200 0.208 0.000 2.072 168 E HA -0.171 4.212 4.350 0.055 0.000 0.191 168 E C 1.791 178.515 176.600 0.207 0.000 0.985 168 E CA 0.961 57.465 56.400 0.174 0.000 0.801 168 E CB -0.203 29.584 29.700 0.145 0.000 0.750 168 E HN 0.282 nan 8.360 nan 0.000 0.452 169 F N 1.589 121.632 119.950 0.154 0.000 2.046 169 F HA -0.156 4.404 4.527 0.055 0.000 0.297 169 F C 1.030 176.993 175.800 0.271 0.000 1.123 169 F CA 0.764 58.901 58.000 0.228 0.000 1.199 169 F CB -0.173 38.984 39.000 0.261 0.000 0.972 169 F HN -0.107 nan 8.300 nan 0.000 0.474 173 H N 1.307 120.298 119.070 -0.132 0.000 2.517 173 H HA 0.447 5.036 4.556 0.055 0.000 0.282 173 H C 1.914 177.273 175.328 0.052 0.000 1.023 173 H CA 0.494 56.499 56.048 -0.072 0.000 1.169 173 H CB 0.600 30.256 29.762 -0.176 0.000 1.454 173 H HN 0.557 nan 8.280 nan 0.000 0.556 174 K N 1.455 121.901 120.400 0.078 0.000 2.077 174 K HA -0.210 4.143 4.320 0.055 0.000 0.213 174 K C 1.423 178.030 176.600 0.011 0.000 1.051 174 K CA 1.703 57.981 56.287 -0.015 0.000 0.929 174 K CB 0.323 32.526 32.500 -0.494 0.000 0.715 174 K HN 0.090 nan 8.250 nan 0.000 0.451 175 E N 0.313 120.514 120.200 0.002 0.000 2.153 175 E HA -0.149 4.234 4.350 0.055 0.000 0.194 175 E C 1.253 177.920 176.600 0.111 0.000 0.988 175 E CA 1.092 57.514 56.400 0.037 0.000 0.811 175 E CB -0.131 29.587 29.700 0.030 0.000 0.746 175 E HN 0.530 nan 8.360 nan 0.000 0.466 176 N N -0.204 118.606 118.700 0.184 0.000 2.193 176 N HA 0.045 4.818 4.740 0.055 0.000 0.210 176 N C 0.828 176.534 175.510 0.328 0.000 1.215 176 N CA -0.238 52.964 53.050 0.252 0.000 0.901 176 N CB 0.732 39.377 38.487 0.263 0.000 1.060 176 N HN 0.071 nan 8.380 nan 0.000 0.508 180 K N 2.028 122.503 120.400 0.125 0.000 2.213 180 K HA 0.250 4.603 4.320 0.055 0.000 0.270 180 K C -0.655 176.040 176.600 0.159 0.000 1.002 180 K CA -0.579 55.798 56.287 0.151 0.000 0.868 180 K CB 1.325 33.886 32.500 0.101 0.000 1.093 180 K HN 0.493 nan 8.250 nan 0.000 0.454 181 D N 6.172 126.711 120.400 0.232 0.000 2.470 181 D HA 0.021 4.694 4.640 0.055 0.000 0.226 181 D C 1.222 177.617 176.300 0.159 0.000 1.196 181 D CA -0.368 53.745 54.000 0.187 0.000 0.979 181 D CB 0.106 41.100 40.800 0.324 0.000 1.059 181 D HN 0.636 nan 8.370 nan 0.000 0.515 182 I N 0.259 120.907 120.570 0.130 0.000 3.176 182 I HA 0.033 4.236 4.170 0.055 0.000 0.275 182 I C 1.525 177.810 176.117 0.281 0.000 1.298 182 I CA 0.266 61.681 61.300 0.192 0.000 1.445 182 I CB -0.028 38.095 38.000 0.205 0.000 1.075 182 I HN 0.210 nan 8.210 nan 0.000 0.482 183 A N 0.555 123.439 122.820 0.107 0.000 2.251 183 A HA 0.221 4.574 4.320 0.055 0.000 0.209 183 A C 1.153 179.038 177.584 0.501 0.000 1.187 183 A CA 0.259 52.353 52.037 0.095 0.000 0.823 183 A CB -0.239 18.366 19.000 -0.658 0.000 0.846 183 A HN 0.458 nan 8.150 nan 0.000 0.486 184 S N -0.245 115.654 115.700 0.332 0.000 2.503 184 S HA 0.521 5.024 4.470 0.055 0.000 0.301 184 S C -1.898 172.705 174.600 0.005 0.000 1.087 184 S CA -1.538 56.697 58.200 0.059 0.000 1.042 184 S CB 1.637 64.863 63.200 0.042 0.000 1.043 184 S HN 0.108 nan 8.310 nan 0.000 0.489 185 P HA 0.015 nan 4.420 nan 0.000 0.226 185 P C 1.007 178.259 177.300 -0.079 0.000 1.153 185 P CA 0.713 63.739 63.100 -0.122 0.000 0.777 185 P CB 0.113 31.619 31.700 -0.323 0.000 0.794 186 L N -1.505 119.647 121.223 -0.119 0.000 2.585 186 L HA 0.165 4.538 4.340 0.055 0.000 0.226 186 L C 0.521 177.392 176.870 0.001 0.000 1.113 186 L CA -0.039 54.770 54.840 -0.051 0.000 0.876 186 L CB -0.528 41.502 42.059 -0.049 0.000 1.072 186 L HN -0.186 nan 8.230 nan 0.000 0.468 187 K N 0.397 120.823 120.400 0.043 0.000 3.012 187 K HA -0.159 4.194 4.320 0.055 0.000 0.259 187 K C 0.121 176.761 176.600 0.066 0.000 0.989 187 K CA 0.572 56.908 56.287 0.081 0.000 0.728 187 K CB -2.496 30.047 32.500 0.073 0.000 1.260 187 K HN 0.198 nan 8.250 nan 0.000 0.480 188 T N 0.030 114.623 114.554 0.065 0.000 2.933 188 T HA 0.162 4.545 4.350 0.055 0.000 0.306 188 T C 0.656 175.309 174.700 -0.079 0.000 1.045 188 T CA -0.255 61.821 62.100 -0.041 0.000 1.143 188 T CB 0.676 69.513 68.868 -0.051 0.000 1.003 188 T HN 0.047 nan 8.240 nan 0.000 0.540 189 V N 4.215 124.021 119.914 -0.181 0.000 2.481 189 V HA 0.476 4.629 4.120 0.055 0.000 0.286 189 V C -0.662 175.284 176.094 -0.247 0.000 1.042 189 V CA -0.650 61.599 62.300 -0.086 0.000 0.928 189 V CB 0.610 32.419 31.823 -0.024 0.000 0.986 189 V HN 0.783 nan 8.190 nan 0.000 0.462 190 Y N 2.106 122.426 120.300 0.033 0.000 2.633 190 Y HA 0.599 5.182 4.550 0.055 0.000 0.339 190 Y C 0.137 176.039 175.900 0.004 0.000 1.045 190 Y CA -1.167 56.932 58.100 -0.002 0.000 1.098 190 Y CB 2.021 40.438 38.460 -0.072 0.000 1.296 190 Y HN 0.370 nan 8.280 nan 0.000 0.494 191 K N 3.206 123.713 120.400 0.178 0.000 2.450 191 K HA 0.342 4.695 4.320 0.055 0.000 0.257 191 K C -2.904 173.750 176.600 0.090 0.000 0.953 191 K CA -2.081 54.283 56.287 0.129 0.000 0.844 191 K CB 1.636 34.204 32.500 0.114 0.000 1.103 191 K HN 0.270 nan 8.250 nan 0.000 0.429 192 P HA 0.016 nan 4.420 nan 0.000 0.268 192 P C -0.225 177.023 177.300 -0.088 0.000 1.204 192 P CA -0.317 62.749 63.100 -0.057 0.000 0.768 192 P CB 0.525 32.175 31.700 -0.083 0.000 0.842 193 C N 3.867 123.053 119.300 -0.190 0.000 2.605 193 C HA 0.448 4.941 4.460 0.055 0.000 0.404 193 C C 0.525 175.329 174.990 -0.309 0.000 1.284 193 C CA 0.175 59.109 59.018 -0.139 0.000 2.199 193 C CB -1.118 26.531 27.740 -0.152 0.000 2.647 193 C HN 0.478 nan 8.230 nan 0.000 0.604 194 F N 0.279 120.207 119.950 -0.037 0.000 2.577 194 F HA 0.356 4.916 4.527 0.055 0.000 0.318 194 F C 0.250 176.021 175.800 -0.049 0.000 1.065 194 F CA -0.751 57.233 58.000 -0.027 0.000 0.929 194 F CB 0.972 39.965 39.000 -0.011 0.000 1.237 194 F HN 0.452 nan 8.300 nan 0.000 0.468 195 E N 2.060 122.361 120.200 0.168 0.000 2.463 195 E HA -0.047 4.336 4.350 0.055 0.000 0.248 195 E C -0.206 176.421 176.600 0.046 0.000 1.106 195 E CA 0.266 56.710 56.400 0.073 0.000 0.946 195 E CB 0.009 29.760 29.700 0.084 0.000 0.971 195 E HN 0.439 nan 8.360 nan 0.000 0.478 196 E N 3.273 123.436 120.200 -0.062 0.000 2.829 196 E HA -0.254 4.129 4.350 0.055 0.000 0.264 196 E C -0.477 176.024 176.600 -0.166 0.000 0.922 196 E CA 0.421 56.674 56.400 -0.246 0.000 0.960 196 E CB 0.143 29.574 29.700 -0.448 0.000 0.918 196 E HN 0.628 nan 8.360 nan 0.000 0.497 197 Y N 0.084 120.366 120.300 -0.031 0.000 4.604 197 Y HA -0.303 4.280 4.550 0.055 0.000 0.230 197 Y C 0.118 175.995 175.900 -0.038 0.000 1.066 197 Y CA 1.252 59.317 58.100 -0.058 0.000 1.990 197 Y CB -2.320 36.079 38.460 -0.102 0.000 1.619 197 Y HN 0.484 nan 8.280 nan 0.000 0.649 198 T N -1.833 112.781 114.554 0.099 0.000 2.778 198 T HA 0.483 4.866 4.350 0.055 0.000 0.293 198 T C 0.721 175.446 174.700 0.041 0.000 1.144 198 T CA -0.979 61.165 62.100 0.073 0.000 1.010 198 T CB 2.216 71.137 68.868 0.090 0.000 1.325 198 T HN -0.011 nan 8.240 nan 0.000 0.515 199 K N 0.062 120.490 120.400 0.047 0.000 2.373 199 K HA 0.214 4.567 4.320 0.055 0.000 0.202 199 K C 0.404 177.177 176.600 0.288 0.000 1.025 199 K CA -0.130 56.158 56.287 0.003 0.000 1.115 199 K CB 0.582 33.056 32.500 -0.044 0.000 0.858 199 K HN 0.224 nan 8.250 nan 0.000 0.525 200 K N 3.559 124.131 120.400 0.286 0.000 2.349 200 K HA 0.097 4.450 4.320 0.055 0.000 0.289 200 K C -2.435 174.350 176.600 0.309 0.000 1.064 200 K CA -1.792 54.651 56.287 0.261 0.000 0.947 200 K CB 0.599 33.184 32.500 0.141 0.000 1.007 200 K HN -0.137 nan 8.250 nan 0.000 0.478 201 P HA 0.060 nan 4.420 nan 0.000 0.275 201 P C -1.246 175.921 177.300 -0.223 0.000 1.228 201 P CA -0.192 62.656 63.100 -0.419 0.000 0.786 201 P CB 0.751 32.210 31.700 -0.401 0.000 0.927 202 K N 3.200 123.426 120.400 -0.289 0.000 2.220 202 K HA 0.299 4.652 4.320 0.055 0.000 0.283 202 K C 0.022 176.547 176.600 -0.125 0.000 1.098 202 K CA -0.105 56.090 56.287 -0.155 0.000 0.928 202 K CB -0.203 32.203 32.500 -0.156 0.000 1.214 202 K HN 0.455 nan 8.250 nan 0.000 0.442 203 L N 1.729 122.906 121.223 -0.076 0.000 2.313 203 L HA 0.517 4.890 4.340 0.055 0.000 0.268 203 L C -0.240 176.599 176.870 -0.052 0.000 1.010 203 L CA -0.996 53.796 54.840 -0.080 0.000 0.814 203 L CB 1.585 43.575 42.059 -0.116 0.000 1.304 203 L HN 0.431 nan 8.230 nan 0.000 0.441 204 D N -0.681 119.653 120.400 -0.110 0.000 2.891 204 D HA 0.179 4.852 4.640 0.055 0.000 0.224 204 D C -0.142 176.043 176.300 -0.192 0.000 1.321 204 D CA -0.454 53.498 54.000 -0.079 0.000 0.929 204 D CB 1.567 42.371 40.800 0.006 0.000 1.551 204 D HN 0.537 nan 8.370 nan 0.000 0.574 205 H N 0.542 119.600 119.070 -0.020 0.000 2.543 205 H HA 0.015 4.604 4.556 0.055 0.000 0.269 205 H C 0.519 175.818 175.328 -0.048 0.000 1.005 205 H CA 0.103 56.132 56.048 -0.032 0.000 1.146 205 H CB 0.408 30.167 29.762 -0.006 0.000 1.353 205 H HN 0.257 nan 8.280 nan 0.000 0.595 206 N N 2.140 120.847 118.700 0.012 0.000 2.423 206 N HA -0.084 4.689 4.740 0.055 0.000 0.275 206 N C 0.958 176.439 175.510 -0.048 0.000 1.283 206 N CA 0.362 53.399 53.050 -0.021 0.000 0.932 206 N CB 0.557 39.012 38.487 -0.054 0.000 1.185 206 N HN 0.373 nan 8.380 nan 0.000 0.483 207 Q N 1.735 121.522 119.800 -0.022 0.000 2.297 207 Q HA -0.141 4.232 4.340 0.055 0.000 0.208 207 Q C 0.709 176.686 176.000 -0.038 0.000 0.981 207 Q CA 0.986 56.770 55.803 -0.031 0.000 0.876 207 Q CB 0.291 29.019 28.738 -0.018 0.000 0.921 207 Q HN 0.612 nan 8.270 nan 0.000 0.446 208 E N 0.611 120.785 120.200 -0.043 0.000 2.072 208 E HA -0.110 4.273 4.350 0.055 0.000 0.190 208 E C 2.005 178.578 176.600 -0.045 0.000 0.982 208 E CA 0.740 57.115 56.400 -0.041 0.000 0.803 208 E CB -0.128 29.538 29.700 -0.056 0.000 0.755 208 E HN 0.437 nan 8.360 nan 0.000 0.453 209 I N 0.782 121.295 120.570 -0.095 0.000 2.163 209 I HA -0.255 3.948 4.170 0.055 0.000 0.243 209 I C 2.447 178.576 176.117 0.020 0.000 1.085 209 I CA 0.868 62.097 61.300 -0.118 0.000 1.347 209 I CB -0.476 37.294 38.000 -0.382 0.000 1.044 209 I HN -0.074 nan 8.210 nan 0.000 0.408 210 V N 1.004 120.899 119.914 -0.032 0.000 2.255 210 V HA -0.311 3.842 4.120 0.055 0.000 0.247 210 V C 2.566 178.710 176.094 0.084 0.000 1.051 210 V CA 2.145 64.453 62.300 0.014 0.000 1.018 210 V CB -0.707 31.073 31.823 -0.071 0.000 0.641 210 V HN 0.352 nan 8.190 nan 0.000 0.445 211 K N -0.222 120.197 120.400 0.031 0.000 2.032 211 K HA -0.243 4.110 4.320 0.055 0.000 0.209 211 K C 2.105 178.759 176.600 0.090 0.000 1.048 211 K CA 1.983 58.292 56.287 0.036 0.000 0.927 211 K CB -0.873 31.629 32.500 0.003 0.000 0.712 211 K HN 0.505 nan 8.250 nan 0.000 0.441 212 Y N -0.716 119.535 120.300 -0.081 0.000 2.053 212 Y HA -0.246 4.337 4.550 0.055 0.000 0.277 212 Y C 1.807 177.599 175.900 -0.181 0.000 1.159 212 Y CA 2.465 60.433 58.100 -0.220 0.000 1.125 212 Y CB -0.584 37.596 38.460 -0.466 0.000 0.969 212 Y HN 0.208 nan 8.280 nan 0.000 0.492 213 W N -1.517 119.873 121.300 0.150 0.000 2.425 213 W HA -0.170 4.523 4.660 0.055 0.000 0.277 213 W C 2.317 178.992 176.519 0.260 0.000 1.231 213 W CA 1.171 58.588 57.345 0.120 0.000 1.248 213 W CB -0.686 28.857 29.460 0.137 0.000 1.117 213 W HN 0.230 nan 8.180 nan 0.000 0.568 214 Y N 1.558 122.014 120.300 0.261 0.000 2.163 214 Y HA -0.275 4.308 4.550 0.055 0.000 0.288 214 Y C 2.600 178.584 175.900 0.141 0.000 1.136 214 Y CA 2.127 60.351 58.100 0.207 0.000 1.147 214 Y CB -0.795 37.719 38.460 0.090 0.000 0.987 214 Y HN -0.114 nan 8.280 nan 0.000 0.509 215 N N -0.360 118.533 118.700 0.321 0.000 2.223 215 N HA -0.288 4.485 4.740 0.055 0.000 0.185 215 N C 1.929 177.392 175.510 -0.079 0.000 1.016 215 N CA 1.496 54.609 53.050 0.105 0.000 0.863 215 N CB -0.666 37.831 38.487 0.017 0.000 0.983 215 N HN 0.592 nan 8.380 nan 0.000 0.429 216 Y N 1.265 121.406 120.300 -0.265 0.000 2.114 216 Y HA -0.269 4.314 4.550 0.055 0.000 0.282 216 Y C 2.167 177.939 175.900 -0.213 0.000 1.165 216 Y CA 2.368 60.267 58.100 -0.335 0.000 1.148 216 Y CB -0.659 37.606 38.460 -0.326 0.000 0.972 216 Y HN 0.262 nan 8.280 nan 0.000 0.504 217 H N -0.522 118.574 119.070 0.043 0.000 2.321 217 H HA -0.170 4.419 4.556 0.055 0.000 0.300 217 H C 2.301 177.547 175.328 -0.137 0.000 1.087 217 H CA 2.365 58.458 56.048 0.075 0.000 1.319 217 H CB -0.391 29.490 29.762 0.198 0.000 1.379 217 H HN 0.361 nan 8.280 nan 0.000 0.501 218 I N 0.210 120.659 120.570 -0.201 0.000 2.142 218 I HA -0.223 3.980 4.170 0.055 0.000 0.240 218 I C 2.436 178.442 176.117 -0.185 0.000 1.078 218 I CA 1.152 62.315 61.300 -0.228 0.000 1.343 218 I CB -0.188 37.611 38.000 -0.334 0.000 1.046 218 I HN 0.257 nan 8.210 nan 0.000 0.405 219 E N 0.861 120.906 120.200 -0.257 0.000 2.058 219 E HA -0.275 4.108 4.350 0.055 0.000 0.194 219 E C 2.242 178.606 176.600 -0.393 0.000 0.997 219 E CA 1.606 57.835 56.400 -0.285 0.000 0.801 219 E CB -0.220 29.292 29.700 -0.313 0.000 0.746 219 E HN 0.360 nan 8.360 nan 0.000 0.450 220 R N -0.750 119.357 120.500 -0.654 0.000 2.161 220 R HA -0.058 4.315 4.340 0.055 0.000 0.213 220 R C 1.411 177.215 176.300 -0.828 0.000 1.055 220 R CA 1.200 56.791 56.100 -0.848 0.000 0.996 220 R CB -0.205 29.278 30.300 -1.361 0.000 0.901 220 R HN 0.138 nan 8.270 nan 0.000 0.456 221 Y N -2.679 117.338 120.300 -0.472 0.000 2.589 221 Y HA 0.295 4.878 4.550 0.055 0.000 0.271 221 Y C 0.044 175.399 175.900 -0.909 0.000 1.107 221 Y CA -0.502 57.135 58.100 -0.771 0.000 1.273 221 Y CB 0.198 38.036 38.460 -1.036 0.000 1.266 221 Y HN 0.025 nan 8.280 nan 0.000 0.504 222 W N 0.453 121.796 121.300 0.070 0.000 1.513 222 W HA 0.384 5.077 4.660 0.055 0.000 0.311 222 W C 0.481 176.996 176.519 -0.007 0.000 0.821 222 W CA -0.630 56.746 57.345 0.052 0.000 2.622 222 W CB 0.070 29.579 29.460 0.082 0.000 1.907 222 W HN -0.184 nan 8.180 nan 0.000 0.562 223 N N 2.921 121.662 118.700 0.068 0.000 3.115 223 N HA 0.001 4.774 4.740 0.055 0.000 0.305 223 N C -0.390 175.156 175.510 0.061 0.000 1.305 223 N CA 0.691 53.759 53.050 0.030 0.000 1.154 223 N CB 0.044 38.501 38.487 -0.049 0.000 1.454 223 N HN 0.213 nan 8.380 nan 0.000 0.551 224 T N -2.890 111.734 114.554 0.116 0.000 2.956 224 T HA 0.360 4.743 4.350 0.055 0.000 0.312 224 T C -2.314 172.454 174.700 0.114 0.000 1.151 224 T CA -1.452 60.708 62.100 0.101 0.000 1.024 224 T CB 2.227 71.162 68.868 0.111 0.000 1.140 224 T HN -0.242 nan 8.240 nan 0.000 0.473 225 P HA -0.145 nan 4.420 nan 0.000 0.216 225 P C 1.295 178.650 177.300 0.092 0.000 1.154 225 P CA 1.376 64.521 63.100 0.075 0.000 0.865 225 P CB 0.183 31.912 31.700 0.049 0.000 0.789 226 E N -0.728 119.528 120.200 0.094 0.000 2.047 226 E HA -0.108 4.275 4.350 0.055 0.000 0.191 226 E C 2.141 178.815 176.600 0.123 0.000 0.987 226 E CA 1.176 57.632 56.400 0.093 0.000 0.799 226 E CB -0.600 29.150 29.700 0.083 0.000 0.752 226 E HN 0.153 nan 8.360 nan 0.000 0.449 227 A N 1.786 124.713 122.820 0.179 0.000 1.930 227 A HA -0.193 4.160 4.320 0.055 0.000 0.217 227 A C 1.967 179.690 177.584 0.231 0.000 1.175 227 A CA 1.316 53.502 52.037 0.249 0.000 0.627 227 A CB -0.262 19.020 19.000 0.471 0.000 0.815 227 A HN 0.033 nan 8.150 nan 0.000 0.443 228 K N -0.532 120.016 120.400 0.247 0.000 2.057 228 K HA -0.037 4.316 4.320 0.055 0.000 0.207 228 K C 1.952 178.771 176.600 0.365 0.000 1.049 228 K CA 1.240 57.708 56.287 0.302 0.000 0.931 228 K CB -0.329 32.312 32.500 0.236 0.000 0.714 228 K HN 0.497 nan 8.250 nan 0.000 0.440 229 L N 1.167 122.520 121.223 0.217 0.000 2.017 229 L HA -0.215 4.158 4.340 0.055 0.000 0.208 229 L C 2.520 179.482 176.870 0.154 0.000 1.073 229 L CA 1.514 56.458 54.840 0.173 0.000 0.745 229 L CB -0.182 41.930 42.059 0.089 0.000 0.894 229 L HN 0.289 nan 8.230 nan 0.000 0.432 230 E N -0.554 119.694 120.200 0.080 0.000 2.077 230 E HA -0.301 4.082 4.350 0.055 0.000 0.193 230 E C 2.101 178.649 176.600 -0.087 0.000 0.989 230 E CA 1.452 57.831 56.400 -0.036 0.000 0.800 230 E CB -0.239 29.401 29.700 -0.101 0.000 0.746 230 E HN 0.467 nan 8.360 nan 0.000 0.452 231 F N 0.124 119.968 119.950 -0.177 0.000 2.095 231 F HA -0.276 4.284 4.527 0.055 0.000 0.298 231 F C 1.819 177.575 175.800 -0.073 0.000 1.104 231 F CA 1.753 59.639 58.000 -0.191 0.000 1.232 231 F CB -0.366 38.531 39.000 -0.172 0.000 0.987 231 F HN 0.091 nan 8.300 nan 0.000 0.475 232 Y N 0.293 120.736 120.300 0.239 0.000 2.352 232 Y HA -0.110 4.473 4.550 0.055 0.000 0.292 232 Y C 2.553 178.450 175.900 -0.004 0.000 1.136 232 Y CA 1.339 59.544 58.100 0.176 0.000 1.227 232 Y CB -0.337 38.254 38.460 0.219 0.000 0.991 232 Y HN -0.049 nan 8.280 nan 0.000 0.545 233 R N 0.018 120.555 120.500 0.061 0.000 2.075 233 R HA -0.148 4.226 4.340 0.055 0.000 0.232 233 R C 2.201 178.386 176.300 -0.192 0.000 1.126 233 R CA 1.364 57.438 56.100 -0.042 0.000 0.963 233 R CB -0.216 30.050 30.300 -0.058 0.000 0.858 233 R HN 0.286 nan 8.270 nan 0.000 0.435 234 K N -0.125 120.037 120.400 -0.398 0.000 2.031 234 K HA -0.069 4.284 4.320 0.055 0.000 0.205 234 K C 1.456 177.568 176.600 -0.813 0.000 1.049 234 K CA 1.327 57.184 56.287 -0.718 0.000 0.939 234 K CB 0.099 31.920 32.500 -1.132 0.000 0.717 234 K HN 0.003 nan 8.250 nan 0.000 0.438 235 F N 0.026 119.711 119.950 -0.442 0.000 2.678 235 F HA 0.319 4.879 4.527 0.055 0.000 0.291 235 F C 1.079 176.769 175.800 -0.184 0.000 1.123 235 F CA 0.406 58.169 58.000 -0.396 0.000 1.395 235 F CB 0.329 38.882 39.000 -0.746 0.000 1.121 235 F HN 0.257 nan 8.300 nan 0.000 0.592 236 G N 0.886 109.694 108.800 0.013 0.000 2.829 236 G HA2 -0.198 3.795 3.960 0.055 0.000 0.628 236 G HA3 -0.198 3.795 3.960 0.055 0.000 0.628 236 G C -0.495 174.535 174.900 0.217 0.000 1.412 236 G CA -0.963 44.227 45.100 0.151 0.000 0.864 236 G HN 0.203 nan 8.290 nan 0.000 0.544 237 Q N -0.950 119.039 119.800 0.316 0.000 2.474 237 Q HA 0.366 4.739 4.340 0.055 0.000 0.256 237 Q C 1.024 177.029 176.000 0.007 0.000 1.048 237 Q CA -0.101 55.878 55.803 0.294 0.000 0.922 237 Q CB 0.725 29.627 28.738 0.272 0.000 1.288 237 Q HN 0.708 nan 8.270 nan 0.000 0.484 238 V N 1.571 121.218 119.914 -0.446 0.000 2.720 238 V HA -0.090 4.063 4.120 0.055 0.000 0.307 238 V C 0.243 176.208 176.094 -0.215 0.000 1.071 238 V CA 0.380 62.284 62.300 -0.660 0.000 1.199 238 V CB 0.238 31.513 31.823 -0.914 0.000 0.900 238 V HN 0.681 nan 8.190 nan 0.000 0.494 239 D N 3.912 124.227 120.400 -0.141 0.000 2.392 239 D HA 0.304 4.978 4.640 0.055 0.000 0.228 239 D C 0.705 176.934 176.300 -0.118 0.000 1.074 239 D CA -0.338 53.634 54.000 -0.047 0.000 0.838 239 D CB 1.489 42.331 40.800 0.070 0.000 1.067 239 D HN 0.476 nan 8.370 nan 0.000 0.511 240 L N 3.131 124.319 121.223 -0.058 0.000 2.478 240 L HA 0.017 4.390 4.340 0.055 0.000 0.223 240 L C 1.993 178.857 176.870 -0.011 0.000 1.140 240 L CA 0.515 55.323 54.840 -0.053 0.000 0.842 240 L CB 0.006 42.048 42.059 -0.029 0.000 0.953 240 L HN 0.195 nan 8.230 nan 0.000 0.452 241 K N 0.521 120.949 120.400 0.047 0.000 2.418 241 K HA -0.038 4.315 4.320 0.055 0.000 0.195 241 K C 0.726 177.403 176.600 0.129 0.000 1.035 241 K CA 0.084 56.458 56.287 0.144 0.000 1.003 241 K CB 0.111 32.761 32.500 0.251 0.000 0.793 241 K HN 0.438 nan 8.250 nan 0.000 0.494 242 Q N 2.063 121.715 119.800 -0.247 0.000 2.293 242 Q HA 0.246 4.619 4.340 0.055 0.000 0.251 242 Q C -2.570 173.214 176.000 -0.359 0.000 0.930 242 Q CA -2.083 53.286 55.803 -0.724 0.000 0.893 242 Q CB 0.848 28.632 28.738 -1.590 0.000 1.215 242 Q HN -0.160 nan 8.270 nan 0.000 0.425 243 P HA 0.244 nan 4.420 nan 0.000 0.281 243 P C -1.225 175.895 177.300 -0.300 0.000 1.264 243 P CA -0.483 62.352 63.100 -0.441 0.000 0.824 243 P CB 1.212 32.434 31.700 -0.797 0.000 1.092 244 A N 1.826 124.503 122.820 -0.237 0.000 2.310 244 A HA 0.554 4.907 4.320 0.055 0.000 0.299 244 A C 0.134 177.711 177.584 -0.012 0.000 1.147 244 A CA -0.795 51.161 52.037 -0.135 0.000 0.818 244 A CB -0.150 18.687 19.000 -0.273 0.000 1.096 244 A HN 0.466 nan 8.150 nan 0.000 0.495 245 I N 2.504 123.077 120.570 0.005 0.000 2.312 245 I HA 0.166 4.369 4.170 0.055 0.000 0.290 245 I C -0.494 175.566 176.117 -0.095 0.000 1.008 245 I CA -0.591 60.674 61.300 -0.057 0.000 1.226 245 I CB 1.359 39.292 38.000 -0.111 0.000 1.371 245 I HN 0.544 nan 8.210 nan 0.000 0.468 246 L N 7.659 128.773 121.223 -0.182 0.000 2.361 246 L HA 0.624 4.997 4.340 0.055 0.000 0.278 246 L C 0.103 176.778 176.870 -0.325 0.000 1.113 246 L CA 0.646 55.240 54.840 -0.410 0.000 0.849 246 L CB 0.418 42.227 42.059 -0.415 0.000 1.155 246 L HN 0.763 nan 8.230 nan 0.000 0.452 247 A N 5.419 128.030 122.820 -0.349 0.000 2.524 247 A HA 0.930 5.283 4.320 0.055 0.000 0.289 247 A C -1.379 176.084 177.584 -0.201 0.000 1.248 247 A CA -0.617 51.282 52.037 -0.230 0.000 0.712 247 A CB 1.418 20.297 19.000 -0.201 0.000 1.312 247 A HN 0.666 nan 8.150 nan 0.000 0.441 248 K N -0.710 119.645 120.400 -0.075 0.000 2.509 248 K HA 0.708 5.061 4.320 0.055 0.000 0.266 248 K C -1.463 175.133 176.600 -0.007 0.000 0.987 248 K CA -0.771 55.465 56.287 -0.085 0.000 0.868 248 K CB 0.917 33.410 32.500 -0.013 0.000 1.421 248 K HN 0.298 nan 8.250 nan 0.000 0.444 249 F N 0.937 120.944 119.950 0.094 0.000 2.602 249 F HA 0.096 4.656 4.527 0.055 0.000 0.367 249 F C 1.632 177.385 175.800 -0.079 0.000 1.126 249 F CA 0.477 58.410 58.000 -0.111 0.000 1.321 249 F CB 0.722 39.622 39.000 -0.166 0.000 1.094 249 F HN 0.877 nan 8.300 nan 0.000 0.594 250 A N 1.755 124.609 122.820 0.056 0.000 1.975 250 A HA 0.023 4.376 4.320 0.055 0.000 0.215 250 A C 1.710 179.306 177.584 0.019 0.000 1.170 250 A CA 0.837 52.897 52.037 0.038 0.000 0.656 250 A CB -0.833 18.174 19.000 0.013 0.000 0.821 250 A HN 0.729 nan 8.150 nan 0.000 0.449 251 S N -0.429 115.263 115.700 -0.013 0.000 2.459 251 S HA 0.329 4.832 4.470 0.055 0.000 0.231 251 S C 0.479 175.044 174.600 -0.058 0.000 1.353 251 S CA 0.479 58.642 58.200 -0.062 0.000 0.988 251 S CB -0.088 63.032 63.200 -0.134 0.000 0.860 251 S HN 0.602 nan 8.310 nan 0.000 0.494 259 Y N 0.882 121.199 120.300 0.028 0.000 3.222 259 Y HA 0.281 4.864 4.550 0.055 0.000 0.175 259 Y C -1.170 174.681 175.900 -0.081 0.000 1.017 259 Y CA 0.912 59.027 58.100 0.025 0.000 1.751 259 Y CB 0.437 38.981 38.460 0.141 0.000 1.390 259 Y HN -0.152 nan 8.280 nan 0.000 0.326 260 K N 1.429 121.823 120.400 -0.009 0.000 6.958 260 K HA -0.141 4.212 4.320 0.055 0.000 0.778 260 K C -1.755 174.628 176.600 -0.361 0.000 2.415 260 K CA 0.954 57.110 56.287 -0.218 0.000 1.749 260 K CB -0.927 31.418 32.500 -0.257 0.000 2.102 260 K HN 0.217 nan 8.250 nan 0.000 0.285 261 I N 3.129 123.445 120.570 -0.423 0.000 2.797 261 I HA 0.382 4.585 4.170 0.055 0.000 0.307 261 I C -0.347 175.369 176.117 -0.668 0.000 1.033 261 I CA -0.541 60.426 61.300 -0.556 0.000 1.071 261 I CB 0.908 38.593 38.000 -0.525 0.000 1.255 261 I HN 0.271 nan 8.210 nan 0.000 0.445 262 Y N 4.289 124.130 120.300 -0.765 0.000 2.330 262 Y HA 0.674 5.257 4.550 0.055 0.000 0.336 262 Y C -0.385 175.141 175.900 -0.625 0.000 1.036 262 Y CA -0.441 57.275 58.100 -0.639 0.000 1.125 262 Y CB 1.199 39.267 38.460 -0.653 0.000 1.194 262 Y HN 0.253 nan 8.280 nan 0.000 0.469 263 L N 4.454 125.547 121.223 -0.217 0.000 2.354 263 L HA 0.510 4.883 4.340 0.055 0.000 0.269 263 L C -1.359 175.435 176.870 -0.127 0.000 1.005 263 L CA -1.237 53.459 54.840 -0.240 0.000 0.819 263 L CB 1.732 43.598 42.059 -0.322 0.000 1.311 263 L HN 0.313 nan 8.230 nan 0.000 0.423 264 L N 4.239 125.391 121.223 -0.119 0.000 2.280 264 L HA 0.389 4.762 4.340 0.055 0.000 0.287 264 L C -1.447 175.328 176.870 -0.159 0.000 1.023 264 L CA -1.584 53.174 54.840 -0.137 0.000 0.819 264 L CB 1.120 43.124 42.059 -0.091 0.000 1.212 264 L HN 0.290 nan 8.230 nan 0.000 0.420 265 P HA -0.261 nan 4.420 nan 0.000 0.220 265 P C 1.068 178.378 177.300 0.017 0.000 1.144 265 P CA 1.074 64.148 63.100 -0.043 0.000 0.800 265 P CB 0.414 32.136 31.700 0.037 0.000 0.772 266 Q N -0.370 119.364 119.800 -0.110 0.000 2.311 266 Q HA -0.013 4.360 4.340 0.055 0.000 0.203 266 Q C 1.692 177.645 176.000 -0.078 0.000 0.954 266 Q CA 0.714 56.507 55.803 -0.016 0.000 0.885 266 Q CB -0.170 28.491 28.738 -0.129 0.000 0.963 266 Q HN 0.292 nan 8.270 nan 0.000 0.471 267 L N 0.399 121.483 121.223 -0.232 0.000 2.766 267 L HA 0.258 4.631 4.340 0.055 0.000 0.242 267 L C 0.001 176.730 176.870 -0.235 0.000 1.136 267 L CA -0.401 54.148 54.840 -0.486 0.000 0.933 267 L CB 1.327 42.959 42.059 -0.712 0.000 1.241 267 L HN -0.017 nan 8.230 nan 0.000 0.522 268 V N -1.793 118.069 119.914 -0.087 0.000 2.864 268 V HA 0.782 4.935 4.120 0.055 0.000 0.314 268 V C -0.234 175.875 176.094 0.024 0.000 1.073 268 V CA -0.892 61.399 62.300 -0.014 0.000 0.956 268 V CB 2.015 33.825 31.823 -0.021 0.000 1.023 268 V HN -0.071 nan 8.190 nan 0.000 0.435 269 V N 0.014 119.953 119.914 0.042 0.000 2.628 269 V HA 0.796 4.949 4.120 0.055 0.000 0.306 269 V C -2.670 173.443 176.094 0.032 0.000 1.045 269 V CA -2.457 59.862 62.300 0.031 0.000 0.905 269 V CB 1.599 33.443 31.823 0.035 0.000 0.997 269 V HN 0.853 nan 8.190 nan 0.000 0.436 270 P HA 0.370 nan 4.420 nan 0.000 0.271 270 P C -0.371 176.887 177.300 -0.070 0.000 1.216 270 P CA 0.374 63.474 63.100 0.001 0.000 0.776 270 P CB 0.912 32.712 31.700 0.167 0.000 0.881 271 T N 2.184 116.580 114.554 -0.264 0.000 2.903 271 T HA 0.615 4.998 4.350 0.055 0.000 0.299 271 T C -1.069 173.383 174.700 -0.413 0.000 1.093 271 T CA -0.256 61.743 62.100 -0.169 0.000 1.002 271 T CB 1.039 69.898 68.868 -0.015 0.000 1.127 271 T HN 0.211 nan 8.240 nan 0.000 0.488 272 Y N 0.232 120.609 120.300 0.128 0.000 2.534 272 Y HA 0.427 5.010 4.550 0.056 0.000 0.345 272 Y C -0.093 175.859 175.900 0.086 0.000 1.031 272 Y CA -1.292 56.863 58.100 0.092 0.000 1.022 272 Y CB 1.621 40.114 38.460 0.055 0.000 1.292 272 Y HN 0.466 nan 8.280 nan 0.000 0.459 273 N N 1.601 120.446 118.700 0.241 0.000 2.406 273 N HA 0.275 5.048 4.740 0.055 0.000 0.251 273 N C 0.694 176.297 175.510 0.155 0.000 1.069 273 N CA 0.216 53.366 53.050 0.167 0.000 0.947 273 N CB 1.820 40.383 38.487 0.127 0.000 1.111 273 N HN 0.962 nan 8.380 nan 0.000 0.497 274 A N 3.346 126.255 122.820 0.148 0.000 1.892 274 A HA -0.221 4.132 4.320 0.055 0.000 0.218 274 A C 1.746 179.367 177.584 0.063 0.000 1.188 274 A CA 1.531 53.623 52.037 0.091 0.000 0.631 274 A CB -0.292 18.768 19.000 0.099 0.000 0.822 274 A HN 0.582 nan 8.150 nan 0.000 0.447 275 E N -0.688 119.566 120.200 0.090 0.000 2.333 275 E HA -0.168 4.215 4.350 0.055 0.000 0.198 275 E C 1.943 178.580 176.600 0.060 0.000 1.007 275 E CA 1.153 57.599 56.400 0.077 0.000 0.845 275 E CB -0.188 29.576 29.700 0.106 0.000 0.766 275 E HN 0.823 nan 8.360 nan 0.000 0.507 276 Q N -0.200 119.641 119.800 0.069 0.000 2.424 276 Q HA 0.053 4.426 4.340 0.055 0.000 0.204 276 Q C 0.231 176.261 176.000 0.049 0.000 0.933 276 Q CA 0.012 55.853 55.803 0.064 0.000 0.929 276 Q CB 0.320 29.111 28.738 0.087 0.000 1.037 276 Q HN 0.234 nan 8.270 nan 0.000 0.511 283 K N -0.830 119.514 120.400 -0.095 0.000 2.889 283 K HA 0.240 4.593 4.320 0.055 0.000 0.209 283 K C 1.517 178.062 176.600 -0.092 0.000 1.651 283 K CA 0.592 56.841 56.287 -0.063 0.000 1.170 283 K CB 0.301 32.791 32.500 -0.017 0.000 1.981 283 K HN 0.372 nan 8.250 nan 0.000 0.522 284 E N 1.818 121.957 120.200 -0.101 0.000 2.072 284 E HA -0.022 4.362 4.350 0.055 0.000 0.191 284 E C 2.029 178.340 176.600 -0.482 0.000 0.985 284 E CA 0.990 57.320 56.400 -0.116 0.000 0.801 284 E CB -0.065 29.685 29.700 0.083 0.000 0.750 284 E HN 0.187 nan 8.360 nan 0.000 0.452 285 I N 0.669 120.830 120.570 -0.681 0.000 2.090 285 I HA -0.267 3.936 4.170 0.055 0.000 0.236 285 I C 2.434 178.318 176.117 -0.388 0.000 1.064 285 I CA 0.607 61.410 61.300 -0.828 0.000 1.324 285 I CB -0.293 37.387 38.000 -0.533 0.000 1.044 285 I HN 0.149 nan 8.210 nan 0.000 0.399 286 L N 1.235 122.307 121.223 -0.252 0.000 2.054 286 L HA -0.325 4.048 4.340 0.055 0.000 0.220 286 L C 2.337 179.129 176.870 -0.130 0.000 1.081 286 L CA 2.031 56.776 54.840 -0.160 0.000 0.780 286 L CB -0.692 41.300 42.059 -0.111 0.000 0.893 286 L HN 0.275 nan 8.230 nan 0.000 0.438 287 E N -1.694 118.445 120.200 -0.102 0.000 2.013 287 E HA -0.328 4.055 4.350 0.055 0.000 0.202 287 E C 2.147 178.731 176.600 -0.027 0.000 1.018 287 E CA 1.899 58.277 56.400 -0.037 0.000 0.834 287 E CB -0.627 29.085 29.700 0.020 0.000 0.770 287 E HN 0.590 nan 8.360 nan 0.000 0.459 288 Y N 1.698 121.930 120.300 -0.114 0.000 2.219 288 Y HA -0.269 4.314 4.550 0.055 0.000 0.283 288 Y C 2.538 178.332 175.900 -0.176 0.000 1.191 288 Y CA 2.032 60.102 58.100 -0.051 0.000 1.199 288 Y CB -0.434 38.065 38.460 0.065 0.000 0.972 288 Y HN 0.158 nan 8.280 nan 0.000 0.527 289 T N -2.858 111.500 114.554 -0.326 0.000 3.067 289 T HA 0.054 4.437 4.350 0.055 0.000 0.261 289 T C 0.566 175.025 174.700 -0.402 0.000 1.110 289 T CA -0.026 61.648 62.100 -0.709 0.000 1.113 289 T CB -0.021 68.521 68.868 -0.543 0.000 0.917 289 T HN -0.140 nan 8.240 nan 0.000 0.499 290 K N 1.842 122.115 120.400 -0.212 0.000 2.276 290 K HA 0.570 4.923 4.320 0.055 0.000 0.285 290 K C -0.305 176.243 176.600 -0.086 0.000 1.062 290 K CA -0.233 55.993 56.287 -0.101 0.000 0.918 290 K CB 1.430 33.895 32.500 -0.059 0.000 1.055 290 K HN 0.362 nan 8.250 nan 0.000 0.477 294 E N 0.839 120.948 120.200 -0.151 0.000 2.208 294 E HA -0.083 4.300 4.350 0.055 0.000 0.193 294 E C 1.458 177.921 176.600 -0.229 0.000 0.988 294 E CA 1.054 57.342 56.400 -0.188 0.000 0.828 294 E CB 0.184 29.823 29.700 -0.101 0.000 0.763 294 E HN 0.560 nan 8.360 nan 0.000 0.478 295 E N 0.505 120.593 120.200 -0.187 0.000 2.047 295 E HA -0.100 4.283 4.350 0.055 0.000 0.191 295 E C 2.228 178.688 176.600 -0.232 0.000 0.987 295 E CA 0.590 56.891 56.400 -0.164 0.000 0.799 295 E CB -0.099 29.539 29.700 -0.104 0.000 0.752 295 E HN 0.105 nan 8.360 nan 0.000 0.449 296 R N 1.137 121.452 120.500 -0.309 0.000 2.081 296 R HA -0.129 4.244 4.340 0.055 0.000 0.235 296 R C 2.420 178.361 176.300 -0.599 0.000 1.131 296 R CA 1.338 57.221 56.100 -0.361 0.000 0.960 296 R CB -0.187 29.944 30.300 -0.281 0.000 0.856 296 R HN 0.025 nan 8.270 nan 0.000 0.436 297 K N 1.104 120.911 120.400 -0.989 0.000 2.009 297 K HA -0.251 4.102 4.320 0.055 0.000 0.210 297 K C 2.055 178.452 176.600 -0.339 0.000 1.049 297 K CA 1.942 57.757 56.287 -0.787 0.000 0.929 297 K CB -0.042 32.081 32.500 -0.628 0.000 0.714 297 K HN 0.146 nan 8.250 nan 0.000 0.440 298 E N 0.521 120.551 120.200 -0.284 0.000 2.051 298 E HA -0.195 4.188 4.350 0.055 0.000 0.192 298 E C 2.159 178.621 176.600 -0.229 0.000 0.991 298 E CA 1.194 57.468 56.400 -0.209 0.000 0.799 298 E CB -0.077 29.521 29.700 -0.169 0.000 0.748 298 E HN 0.325 nan 8.360 nan 0.000 0.449 299 L N 0.645 121.742 121.223 -0.210 0.000 2.042 299 L HA -0.232 4.141 4.340 0.055 0.000 0.210 299 L C 2.649 179.408 176.870 -0.185 0.000 1.076 299 L CA 0.991 55.715 54.840 -0.194 0.000 0.749 299 L CB -0.444 41.554 42.059 -0.101 0.000 0.893 299 L HN 0.295 nan 8.230 nan 0.000 0.432 300 L N -0.528 120.618 121.223 -0.128 0.000 2.046 300 L HA -0.213 4.160 4.340 0.055 0.000 0.208 300 L C 2.534 179.351 176.870 -0.088 0.000 1.077 300 L CA 1.358 56.164 54.840 -0.056 0.000 0.747 300 L CB -0.522 41.561 42.059 0.039 0.000 0.896 300 L HN 0.323 nan 8.230 nan 0.000 0.432 301 E N -0.057 120.069 120.200 -0.124 0.000 2.153 301 E HA -0.190 4.193 4.350 0.055 0.000 0.194 301 E C 1.884 178.366 176.600 -0.196 0.000 0.988 301 E CA 0.917 57.243 56.400 -0.123 0.000 0.811 301 E CB -0.085 29.544 29.700 -0.118 0.000 0.746 301 E HN 0.486 nan 8.360 nan 0.000 0.466 302 N N 0.869 119.356 118.700 -0.354 0.000 2.142 302 N HA -0.113 4.660 4.740 0.055 0.000 0.186 302 N C 1.911 177.176 175.510 -0.408 0.000 1.023 302 N CA 0.921 53.581 53.050 -0.649 0.000 0.852 302 N CB -0.141 37.440 38.487 -1.510 0.000 0.998 302 N HN 0.202 nan 8.380 nan 0.000 0.424 303 I N 1.045 121.481 120.570 -0.224 0.000 2.226 303 I HA -0.212 3.991 4.170 0.055 0.000 0.245 303 I C 2.088 178.205 176.117 0.000 0.000 1.100 303 I CA 0.771 62.064 61.300 -0.012 0.000 1.374 303 I CB -0.216 37.794 38.000 0.017 0.000 1.057 303 I HN 0.045 nan 8.210 nan 0.000 0.413 304 L N 0.506 121.711 121.223 -0.030 0.000 2.046 304 L HA -0.202 4.171 4.340 0.055 0.000 0.208 304 L C 2.828 179.695 176.870 -0.005 0.000 1.077 304 L CA 1.339 56.174 54.840 -0.007 0.000 0.747 304 L CB -0.736 41.317 42.059 -0.009 0.000 0.896 304 L HN 0.250 nan 8.230 nan 0.000 0.432 305 A N -0.477 122.326 122.820 -0.028 0.000 1.969 305 A HA -0.207 4.146 4.320 0.055 0.000 0.218 305 A C 2.142 179.744 177.584 0.030 0.000 1.169 305 A CA 1.559 53.591 52.037 -0.008 0.000 0.635 305 A CB -0.312 18.670 19.000 -0.030 0.000 0.810 305 A HN 0.300 nan 8.150 nan 0.000 0.445 306 E N -0.510 119.726 120.200 0.059 0.000 2.358 306 E HA 0.061 4.444 4.350 0.055 0.000 0.195 306 E C 0.031 176.668 176.600 0.062 0.000 1.010 306 E CA 0.028 56.486 56.400 0.097 0.000 0.856 306 E CB -0.107 29.706 29.700 0.189 0.000 0.795 306 E HN 0.227 nan 8.360 nan 0.000 0.504 307 V N 2.159 122.100 119.914 0.046 0.000 2.439 307 V HA 0.013 4.166 4.120 0.055 0.000 0.271 307 V C 0.051 176.162 176.094 0.028 0.000 1.040 307 V CA 0.066 62.387 62.300 0.036 0.000 1.002 307 V CB 0.988 32.830 31.823 0.032 0.000 1.000 307 V HN 0.044 nan 8.190 nan 0.000 0.477 308 D N 3.649 124.065 120.400 0.027 0.000 2.896 308 D HA 0.279 4.952 4.640 0.055 0.000 0.240 308 D C 0.046 176.357 176.300 0.017 0.000 1.193 308 D CA 0.364 54.377 54.000 0.021 0.000 0.983 308 D CB 0.201 41.014 40.800 0.021 0.000 1.074 308 D HN 0.523 nan 8.370 nan 0.000 0.496 309 S N 0.257 115.966 115.700 0.015 0.000 2.540 309 S HA 0.194 4.698 4.470 0.055 0.000 0.275 309 S C 0.016 174.621 174.600 0.007 0.000 1.123 309 S CA -0.820 57.386 58.200 0.011 0.000 0.907 309 S CB 1.165 64.373 63.200 0.012 0.000 1.081 309 S HN 0.309 nan 8.310 nan 0.000 0.476 310 D N 3.216 123.617 120.400 0.002 0.000 2.349 310 D HA -0.010 4.663 4.640 0.055 0.000 0.214 310 D C 1.469 177.765 176.300 -0.007 0.000 1.063 310 D CA -0.094 53.905 54.000 -0.001 0.000 0.847 310 D CB 0.009 40.807 40.800 -0.003 0.000 0.933 310 D HN 0.441 nan 8.370 nan 0.000 0.513 311 I N 1.689 122.254 120.570 -0.008 0.000 2.567 311 I HA -0.014 4.189 4.170 0.055 0.000 0.257 311 I C 0.833 176.940 176.117 -0.016 0.000 1.184 311 I CA 0.650 61.939 61.300 -0.017 0.000 1.451 311 I CB -0.141 37.848 38.000 -0.019 0.000 1.089 311 I HN 0.191 nan 8.210 nan 0.000 0.441 312 I N -3.305 117.263 120.570 -0.004 0.000 2.689 312 I HA 0.485 4.688 4.170 0.055 0.000 0.299 312 I C -0.544 175.576 176.117 0.006 0.000 1.059 312 I CA -1.133 60.168 61.300 0.001 0.000 1.055 312 I CB 1.259 39.270 38.000 0.018 0.000 1.243 312 I HN -0.287 nan 8.210 nan 0.000 0.425 313 D N 3.045 123.450 120.400 0.009 0.000 2.390 313 D HA 0.038 4.711 4.640 0.055 0.000 0.236 313 D C 0.914 177.226 176.300 0.019 0.000 1.189 313 D CA 0.202 54.211 54.000 0.015 0.000 0.887 313 D CB 0.929 41.744 40.800 0.025 0.000 1.198 313 D HN 0.722 nan 8.370 nan 0.000 0.444 314 K N -0.999 119.410 120.400 0.015 0.000 2.379 314 K HA 0.103 4.456 4.320 0.055 0.000 0.194 314 K C 0.133 176.740 176.600 0.011 0.000 1.031 314 K CA -0.069 56.225 56.287 0.011 0.000 1.037 314 K CB 0.216 32.719 32.500 0.006 0.000 0.824 314 K HN 0.266 nan 8.250 nan 0.000 0.516 315 S N 0.628 116.339 115.700 0.018 0.000 2.600 315 S HA 0.499 5.002 4.470 0.055 0.000 0.300 315 S C -0.177 174.444 174.600 0.035 0.000 1.087 315 S CA -1.142 57.070 58.200 0.019 0.000 0.965 315 S CB 1.322 64.528 63.200 0.011 0.000 1.089 315 S HN 0.130 nan 8.310 nan 0.000 0.496 316 L N 2.283 123.528 121.223 0.038 0.000 2.426 316 L HA 0.292 4.665 4.340 0.055 0.000 0.271 316 L C 0.749 177.631 176.870 0.020 0.000 1.169 316 L CA -0.327 54.542 54.840 0.048 0.000 0.836 316 L CB 0.669 42.778 42.059 0.084 0.000 1.112 316 L HN 0.719 nan 8.230 nan 0.000 0.465 317 S N 1.612 117.312 115.700 0.001 0.000 2.593 317 S HA 0.217 4.720 4.470 0.055 0.000 0.269 317 S C -0.196 174.333 174.600 -0.120 0.000 1.334 317 S CA -0.678 57.494 58.200 -0.045 0.000 1.015 317 S CB 0.738 63.883 63.200 -0.092 0.000 0.912 317 S HN 0.486 nan 8.310 nan 0.000 0.541 318 E N 0.517 120.638 120.200 -0.132 0.000 2.263 318 E HA 0.694 5.077 4.350 0.055 0.000 0.264 318 E C -0.785 175.674 176.600 -0.235 0.000 0.923 318 E CA -0.687 55.614 56.400 -0.166 0.000 0.802 318 E CB 2.297 31.933 29.700 -0.106 0.000 1.228 318 E HN 0.439 nan 8.360 nan 0.000 0.417 319 I N 0.417 120.812 120.570 -0.291 0.000 2.827 319 I HA 0.180 4.383 4.170 0.055 0.000 0.298 319 I C -1.266 174.686 176.117 -0.275 0.000 1.235 319 I CA -0.643 60.460 61.300 -0.329 0.000 1.021 319 I CB 2.286 39.970 38.000 -0.527 0.000 1.259 319 I HN 0.543 nan 8.210 nan 0.000 0.427 320 E N 5.763 125.846 120.200 -0.194 0.000 2.259 320 E HA 0.468 4.851 4.350 0.055 0.000 0.281 320 E C -1.170 175.341 176.600 -0.149 0.000 1.037 320 E CA -0.517 55.796 56.400 -0.145 0.000 0.854 320 E CB 1.275 30.921 29.700 -0.089 0.000 1.051 320 E HN 0.441 nan 8.360 nan 0.000 0.409 321 V N 1.186 121.008 119.914 -0.154 0.000 3.046 321 V HA 0.560 4.713 4.120 0.055 0.000 0.316 321 V C -0.586 175.387 176.094 -0.202 0.000 1.104 321 V CA -0.935 61.284 62.300 -0.135 0.000 1.006 321 V CB 2.006 33.769 31.823 -0.101 0.000 1.058 321 V HN 0.575 nan 8.190 nan 0.000 0.440 322 E N 1.790 121.761 120.200 -0.383 0.000 2.156 322 E HA 0.441 4.824 4.350 0.055 0.000 0.279 322 E C -0.687 175.673 176.600 -0.399 0.000 0.965 322 E CA -0.450 55.656 56.400 -0.491 0.000 0.789 322 E CB 1.954 31.083 29.700 -0.952 0.000 1.098 322 E HN 0.671 nan 8.360 nan 0.000 0.397 323 K N 1.927 122.202 120.400 -0.208 0.000 2.102 323 K HA 0.456 4.809 4.320 0.055 0.000 0.244 323 K C 0.245 176.789 176.600 -0.092 0.000 1.021 323 K CA -0.445 55.770 56.287 -0.119 0.000 0.913 323 K CB 0.834 33.288 32.500 -0.076 0.000 1.062 323 K HN 0.370 nan 8.250 nan 0.000 0.485 324 I N 1.559 122.088 120.570 -0.067 0.000 2.406 324 I HA 0.197 4.400 4.170 0.055 0.000 0.290 324 I C 0.028 176.083 176.117 -0.103 0.000 0.999 324 I CA -0.859 60.377 61.300 -0.107 0.000 1.124 324 I CB 1.801 39.666 38.000 -0.224 0.000 1.289 324 I HN 0.651 nan 8.210 nan 0.000 0.441 325 A N 5.412 128.172 122.820 -0.100 0.000 2.561 325 A HA 0.019 4.372 4.320 0.055 0.000 0.234 325 A C 1.061 178.614 177.584 -0.053 0.000 1.055 325 A CA 0.239 52.236 52.037 -0.067 0.000 0.756 325 A CB 0.165 19.129 19.000 -0.059 0.000 0.986 325 A HN 0.885 nan 8.150 nan 0.000 0.505 326 Q N 0.486 120.274 119.800 -0.021 0.000 2.291 326 Q HA -0.179 4.194 4.340 0.055 0.000 0.206 326 Q C 1.741 177.747 176.000 0.010 0.000 0.976 326 Q CA 1.420 57.226 55.803 0.004 0.000 0.875 326 Q CB 0.030 28.773 28.738 0.008 0.000 0.927 326 Q HN 0.967 nan 8.270 nan 0.000 0.450 327 E N 1.143 121.339 120.200 -0.006 0.000 2.110 327 E HA -0.168 4.215 4.350 0.055 0.000 0.193 327 E C 1.504 178.107 176.600 0.005 0.000 0.988 327 E CA 0.606 57.005 56.400 -0.001 0.000 0.804 327 E CB 0.028 29.722 29.700 -0.011 0.000 0.745 327 E HN 0.371 nan 8.360 nan 0.000 0.458 328 L N 1.088 122.303 121.223 -0.014 0.000 2.633 328 L HA -0.054 4.319 4.340 0.055 0.000 0.235 328 L C 1.776 178.743 176.870 0.161 0.000 1.163 328 L CA 0.323 55.171 54.840 0.013 0.000 0.859 328 L CB -0.107 41.865 42.059 -0.145 0.000 0.973 328 L HN 0.071 nan 8.230 nan 0.000 0.451 329 E N -0.042 120.227 120.200 0.115 0.000 2.452 329 E HA 0.045 4.428 4.350 0.055 0.000 0.197 329 E C 0.593 177.233 176.600 0.067 0.000 1.022 329 E CA 0.258 56.736 56.400 0.131 0.000 0.890 329 E CB 0.259 30.023 29.700 0.106 0.000 0.918 329 E HN 0.544 nan 8.360 nan 0.000 0.496 330 N N 0.717 119.444 118.700 0.045 0.000 2.275 330 N HA 0.091 4.864 4.740 0.055 0.000 0.236 330 N C 0.871 176.391 175.510 0.017 0.000 1.154 330 N CA -0.004 53.064 53.050 0.030 0.000 0.866 330 N CB 0.628 39.133 38.487 0.030 0.000 1.093 330 N HN 0.069 nan 8.380 nan 0.000 0.515 331 K N 0.428 120.830 120.400 0.003 0.000 2.432 331 K HA 0.198 4.551 4.320 0.055 0.000 0.196 331 K C 0.350 176.939 176.600 -0.019 0.000 1.038 331 K CA 0.551 56.831 56.287 -0.012 0.000 0.986 331 K CB 0.655 33.129 32.500 -0.042 0.000 0.782 331 K HN 0.166 nan 8.250 nan 0.000 0.485 332 I N 1.918 122.470 120.570 -0.029 0.000 2.339 332 I HA 0.204 4.407 4.170 0.055 0.000 0.290 332 I C -0.154 175.968 176.117 0.009 0.000 0.994 332 I CA -0.550 60.729 61.300 -0.036 0.000 1.191 332 I CB 1.279 39.193 38.000 -0.144 0.000 1.343 332 I HN -0.074 nan 8.210 nan 0.000 0.458 333 R N 4.853 125.386 120.500 0.056 0.000 2.888 333 R HA 0.848 5.221 4.340 0.055 0.000 0.266 333 R C -1.163 175.268 176.300 0.218 0.000 1.020 333 R CA -0.935 55.233 56.100 0.114 0.000 0.963 333 R CB 2.808 33.174 30.300 0.109 0.000 1.197 333 R HN 0.460 nan 8.270 nan 0.000 0.481 334 V N -1.570 118.499 119.914 0.258 0.000 3.102 334 V HA 0.772 4.925 4.120 0.055 0.000 0.312 334 V C -0.708 175.548 176.094 0.269 0.000 1.135 334 V CA -1.141 61.360 62.300 0.334 0.000 1.022 334 V CB 2.106 34.150 31.823 0.368 0.000 1.056 334 V HN 0.933 nan 8.190 nan 0.000 0.436 335 R N 0.307 120.921 120.500 0.189 0.000 2.855 335 R HA 0.846 5.219 4.340 0.055 0.000 0.266 335 R C -1.381 174.964 176.300 0.074 0.000 1.034 335 R CA -0.655 55.511 56.100 0.111 0.000 0.944 335 R CB 1.735 32.063 30.300 0.046 0.000 1.219 335 R HN 0.825 nan 8.270 nan 0.000 0.474 336 D N -1.166 119.272 120.400 0.063 0.000 2.588 336 D HA 0.087 4.761 4.640 0.055 0.000 0.268 336 D C 0.190 176.501 176.300 0.018 0.000 1.176 336 D CA -0.679 53.351 54.000 0.050 0.000 1.080 336 D CB 0.495 41.331 40.800 0.061 0.000 1.186 336 D HN 0.624 nan 8.370 nan 0.000 0.619 337 D N -1.108 119.305 120.400 0.022 0.000 2.363 337 D HA -0.064 4.609 4.640 0.055 0.000 0.220 337 D C 0.636 176.948 176.300 0.019 0.000 0.994 337 D CA 0.509 54.518 54.000 0.015 0.000 0.890 337 D CB 0.150 40.965 40.800 0.024 0.000 0.906 337 D HN 0.075 nan 8.370 nan 0.000 0.530 338 K N 0.487 120.903 120.400 0.028 0.000 2.849 338 K HA 0.430 4.783 4.320 0.055 0.000 0.175 338 K C 1.684 178.303 176.600 0.031 0.000 1.113 338 K CA 1.148 57.455 56.287 0.033 0.000 1.286 338 K CB -0.305 32.221 32.500 0.043 0.000 1.776 338 K HN 0.147 nan 8.250 nan 0.000 0.472 339 G N -0.206 108.618 108.800 0.040 0.000 4.750 339 G HA2 0.097 4.090 3.960 0.055 0.000 0.266 339 G HA3 0.097 4.090 3.960 0.055 0.000 0.266 339 G C -0.994 173.939 174.900 0.055 0.000 1.000 339 G CA -0.393 44.733 45.100 0.043 0.000 0.776 339 G HN 0.193 nan 8.290 nan 0.000 0.357 340 N N 1.075 119.811 118.700 0.060 0.000 2.472 340 N HA 0.546 5.319 4.740 0.055 0.000 0.277 340 N C -0.532 175.032 175.510 0.090 0.000 1.081 340 N CA 0.146 53.239 53.050 0.071 0.000 0.973 340 N CB 1.630 40.160 38.487 0.071 0.000 1.105 340 N HN -0.038 nan 8.380 nan 0.000 0.470 341 S N 1.043 116.801 115.700 0.096 0.000 2.552 341 S HA 0.592 5.095 4.470 0.055 0.000 0.314 341 S C -0.771 173.893 174.600 0.107 0.000 1.099 341 S CA -0.711 57.562 58.200 0.121 0.000 1.070 341 S CB 1.079 64.355 63.200 0.127 0.000 0.998 341 S HN 0.213 nan 8.310 nan 0.000 0.474 342 V N 5.412 125.399 119.914 0.122 0.000 2.709 342 V HA 0.566 4.719 4.120 0.055 0.000 0.308 342 V C -2.295 173.865 176.094 0.109 0.000 1.062 342 V CA -2.109 60.251 62.300 0.101 0.000 0.901 342 V CB 2.313 34.191 31.823 0.092 0.000 1.003 342 V HN 0.627 nan 8.190 nan 0.000 0.425 343 P HA 0.288 nan 4.420 nan 0.000 0.278 343 P C -0.402 176.949 177.300 0.084 0.000 1.238 343 P CA -0.403 62.742 63.100 0.075 0.000 0.794 343 P CB 0.915 32.647 31.700 0.052 0.000 0.955 344 I N 1.935 122.556 120.570 0.086 0.000 2.996 344 I HA -0.058 4.145 4.170 0.055 0.000 0.285 344 I C 0.317 176.501 176.117 0.112 0.000 1.173 344 I CA 1.609 62.984 61.300 0.125 0.000 1.396 344 I CB -1.451 36.605 38.000 0.093 0.000 1.470 344 I HN 0.244 nan 8.210 nan 0.000 0.586 345 S N 4.488 120.252 115.700 0.106 0.000 2.705 345 S HA 0.302 4.805 4.470 0.055 0.000 0.163 345 S C -0.519 174.113 174.600 0.054 0.000 0.785 345 S CA -0.973 57.277 58.200 0.084 0.000 0.990 345 S CB 0.365 63.598 63.200 0.055 0.000 1.526 345 S HN 0.506 nan 8.310 nan 0.000 0.434 356 L N 2.632 123.907 121.223 0.086 0.000 2.640 356 L HA -0.093 4.280 4.340 0.055 0.000 0.280 356 L C 1.027 178.009 176.870 0.187 0.000 1.229 356 L CA 0.599 55.541 54.840 0.169 0.000 0.919 356 L CB 0.380 42.486 42.059 0.077 0.000 1.168 356 L HN 0.638 nan 8.230 nan 0.000 0.496 357 W N 2.748 124.074 121.300 0.044 0.000 2.305 357 W HA -0.283 4.408 4.660 0.051 0.000 0.308 357 W C 1.496 178.131 176.519 0.193 0.000 1.226 357 W CA 1.782 59.175 57.345 0.080 0.000 1.253 357 W CB -2.180 27.315 29.460 0.058 0.000 1.146 357 W HN 0.721 nan 8.180 nan 0.000 0.507 358 T N -0.857 113.335 114.554 -0.604 0.000 3.163 358 T HA -0.090 4.293 4.350 0.055 0.000 0.260 358 T C 1.100 175.606 174.700 -0.323 0.000 1.156 358 T CA 0.891 62.656 62.100 -0.558 0.000 1.072 358 T CB -0.830 67.499 68.868 -0.898 0.000 0.937 358 T HN 0.010 nan 8.240 nan 0.000 0.528 359 N N 1.417 120.037 118.700 -0.134 0.000 2.626 359 N HA 0.016 4.789 4.740 0.055 0.000 0.193 359 N C 0.990 176.460 175.510 -0.066 0.000 1.213 359 N CA 0.503 53.487 53.050 -0.110 0.000 0.914 359 N CB -0.428 38.026 38.487 -0.056 0.000 0.994 359 N HN 0.883 nan 8.380 nan 0.000 0.447 360 Y N -0.522 119.724 120.300 -0.090 0.000 2.476 360 Y HA 0.257 4.838 4.550 0.051 0.000 0.283 360 Y C 1.118 176.988 175.900 -0.049 0.000 1.109 360 Y CA -0.605 57.466 58.100 -0.048 0.000 1.246 360 Y CB -0.537 37.904 38.460 -0.030 0.000 1.068 360 Y HN -0.064 nan 8.280 nan 0.000 0.552 361 S N 1.015 116.059 115.700 -1.093 0.000 2.592 361 S HA 0.246 4.749 4.470 0.055 0.000 0.271 361 S C 0.451 174.848 174.600 -0.338 0.000 1.326 361 S CA -0.795 56.953 58.200 -0.754 0.000 1.024 361 S CB 1.332 64.008 63.200 -0.872 0.000 0.921 361 S HN 0.378 nan 8.310 nan 0.000 0.527 362 R N 0.763 121.137 120.500 -0.211 0.000 2.325 362 R HA 0.217 4.590 4.340 0.055 0.000 0.214 362 R C -0.067 176.170 176.300 -0.104 0.000 0.961 362 R CA 0.125 56.148 56.100 -0.128 0.000 1.086 362 R CB -0.579 29.672 30.300 -0.081 0.000 1.037 362 R HN 0.633 nan 8.270 nan 0.000 0.493 363 K N 0.296 120.604 120.400 -0.153 0.000 2.451 363 K HA -0.014 4.339 4.320 0.055 0.000 0.280 363 K C -0.387 176.176 176.600 -0.061 0.000 1.020 363 K CA 0.158 56.385 56.287 -0.101 0.000 1.008 363 K CB 0.335 32.741 32.500 -0.157 0.000 0.917 363 K HN 0.077 nan 8.250 nan 0.000 0.478 364 Y N 3.512 123.694 120.300 -0.196 0.000 2.426 364 Y HA 0.020 4.604 4.550 0.058 0.000 0.344 364 Y C -1.288 174.483 175.900 -0.215 0.000 1.256 364 Y CA -1.455 56.515 58.100 -0.216 0.000 1.451 364 Y CB 0.405 38.724 38.460 -0.234 0.000 1.342 364 Y HN 0.541 nan 8.280 nan 0.000 0.600 365 P HA 0.034 nan 4.420 nan 0.000 0.272 365 P C -1.210 176.026 177.300 -0.106 0.000 1.230 365 P CA -0.091 62.885 63.100 -0.206 0.000 0.788 365 P CB 0.964 32.383 31.700 -0.468 0.000 0.949 366 V N 3.122 123.009 119.914 -0.045 0.000 2.394 366 V HA 0.278 4.431 4.120 0.055 0.000 0.282 366 V C 0.475 176.596 176.094 0.045 0.000 1.031 366 V CA -0.486 61.815 62.300 0.001 0.000 0.881 366 V CB 1.055 32.883 31.823 0.009 0.000 0.982 366 V HN 0.380 nan 8.190 nan 0.000 0.451 367 I N 5.723 126.336 120.570 0.072 0.000 2.389 367 I HA 0.361 4.564 4.170 0.055 0.000 0.288 367 I C -0.504 175.659 176.117 0.077 0.000 0.999 367 I CA -0.584 60.790 61.300 0.124 0.000 1.129 367 I CB 1.835 39.961 38.000 0.210 0.000 1.288 367 I HN 0.370 nan 8.210 nan 0.000 0.444 368 L N 9.231 130.455 121.223 0.002 0.000 2.264 368 L HA 0.526 4.899 4.340 0.055 0.000 0.287 368 L C -2.381 174.333 176.870 -0.260 0.000 1.039 368 L CA -1.653 53.123 54.840 -0.106 0.000 0.829 368 L CB 1.320 43.307 42.059 -0.120 0.000 1.211 368 L HN 0.219 nan 8.230 nan 0.000 0.427 369 P HA 0.070 nan 4.420 nan 0.000 0.269 369 P C -0.339 176.718 177.300 -0.404 0.000 1.215 369 P CA 0.228 63.169 63.100 -0.265 0.000 0.780 369 P CB 0.476 32.024 31.700 -0.253 0.000 0.898 370 Y N -0.411 119.801 120.300 -0.148 0.000 2.476 370 Y HA 0.157 4.740 4.550 0.055 0.000 0.283 370 Y C 0.947 176.731 175.900 -0.193 0.000 1.109 370 Y CA 0.931 58.944 58.100 -0.145 0.000 1.246 370 Y CB 0.525 38.906 38.460 -0.132 0.000 1.068 370 Y HN 0.314 nan 8.280 nan 0.000 0.552 371 E N -0.445 119.671 120.200 -0.139 0.000 2.352 371 E HA 0.529 4.912 4.350 0.055 0.000 0.280 371 E C -1.744 174.745 176.600 -0.186 0.000 0.930 371 E CA -0.627 55.666 56.400 -0.178 0.000 0.765 371 E CB 3.104 32.648 29.700 -0.260 0.000 1.219 371 E HN -0.312 nan 8.360 nan 0.000 0.434 372 V N 2.936 122.768 119.914 -0.137 0.000 2.525 372 V HA 0.308 4.461 4.120 0.055 0.000 0.299 372 V C -2.380 173.749 176.094 0.057 0.000 1.034 372 V CA -1.967 60.274 62.300 -0.098 0.000 0.863 372 V CB 1.769 33.473 31.823 -0.198 0.000 0.999 372 V HN 0.600 nan 8.190 nan 0.000 0.423 373 P HA -0.009 nan 4.420 nan 0.000 0.261 373 P C 0.757 178.184 177.300 0.212 0.000 1.165 373 P CA 0.440 63.673 63.100 0.223 0.000 0.759 373 P CB 0.509 32.423 31.700 0.357 0.000 0.772 374 E N 2.479 122.745 120.200 0.110 0.000 2.333 374 E HA -0.221 4.162 4.350 0.055 0.000 0.198 374 E C 1.692 178.332 176.600 0.067 0.000 1.007 374 E CA 0.606 57.055 56.400 0.083 0.000 0.845 374 E CB -0.062 29.665 29.700 0.044 0.000 0.766 374 E HN 0.510 nan 8.360 nan 0.000 0.507 375 K N 0.800 121.212 120.400 0.019 0.000 2.103 375 K HA -0.176 4.177 4.320 0.055 0.000 0.207 375 K C 1.500 178.030 176.600 -0.116 0.000 1.048 375 K CA 1.224 57.454 56.287 -0.095 0.000 0.930 375 K CB -0.120 32.252 32.500 -0.214 0.000 0.716 375 K HN 0.054 nan 8.250 nan 0.000 0.444 376 F N 1.302 121.315 119.950 0.105 0.000 2.365 376 F HA -0.026 4.534 4.527 0.056 0.000 0.300 376 F C 2.278 178.132 175.800 0.090 0.000 1.090 376 F CA 0.904 58.969 58.000 0.109 0.000 1.408 376 F CB -0.128 38.947 39.000 0.125 0.000 1.060 376 F HN 0.005 nan 8.300 nan 0.000 0.534 377 R N 0.070 120.696 120.500 0.210 0.000 2.073 377 R HA -0.187 4.187 4.340 0.055 0.000 0.234 377 R C 2.110 178.470 176.300 0.099 0.000 1.134 377 R CA 1.577 57.759 56.100 0.138 0.000 0.952 377 R CB -0.327 30.028 30.300 0.092 0.000 0.850 377 R HN 0.083 nan 8.270 nan 0.000 0.433 378 K N 1.172 121.615 120.400 0.072 0.000 2.021 378 K HA 0.040 4.393 4.320 0.055 0.000 0.205 378 K C 0.369 177.002 176.600 0.055 0.000 1.047 378 K CA 0.543 56.859 56.287 0.048 0.000 0.943 378 K CB -0.216 32.298 32.500 0.024 0.000 0.725 378 K HN -0.031 nan 8.250 nan 0.000 0.439 379 I N 2.826 123.433 120.570 0.061 0.000 3.310 379 I HA -0.305 3.898 4.170 0.055 0.000 0.345 379 I C 1.437 177.602 176.117 0.080 0.000 1.215 379 I CA 0.306 61.650 61.300 0.073 0.000 1.472 379 I CB 0.165 38.230 38.000 0.108 0.000 1.305 379 I HN 0.302 nan 8.210 nan 0.000 0.500 380 R N 5.331 125.865 120.500 0.056 0.000 2.147 380 R HA -0.061 4.312 4.340 0.055 0.000 0.209 380 R C 0.496 176.820 176.300 0.041 0.000 1.129 380 R CA 1.289 57.413 56.100 0.039 0.000 0.914 380 R CB -0.032 30.284 30.300 0.026 0.000 0.771 380 R HN 0.790 nan 8.270 nan 0.000 0.474 381 E N 0.330 120.554 120.200 0.039 0.000 2.249 381 E HA 0.443 4.826 4.350 0.055 0.000 0.263 381 E C -0.830 175.815 176.600 0.074 0.000 0.950 381 E CA -0.567 55.851 56.400 0.031 0.000 0.827 381 E CB 1.568 31.272 29.700 0.006 0.000 1.220 381 E HN 0.192 nan 8.360 nan 0.000 0.411 382 I N 2.366 122.989 120.570 0.088 0.000 2.466 382 I HA 0.279 4.482 4.170 0.055 0.000 0.279 382 I C -2.185 173.969 176.117 0.061 0.000 1.033 382 I CA -2.076 59.301 61.300 0.129 0.000 1.123 382 I CB 1.302 39.437 38.000 0.225 0.000 1.237 382 I HN 0.475 nan 8.210 nan 0.000 0.460 386 I N 4.834 125.516 120.570 0.188 0.000 2.354 386 I HA 0.413 4.616 4.170 0.055 0.000 0.286 386 I C -0.229 175.983 176.117 0.157 0.000 1.007 386 I CA -0.703 60.701 61.300 0.174 0.000 1.167 386 I CB 1.110 39.233 38.000 0.205 0.000 1.320 386 I HN 0.460 nan 8.210 nan 0.000 0.458 387 I N 7.217 127.866 120.570 0.131 0.000 2.328 387 I HA 0.339 4.542 4.170 0.055 0.000 0.287 387 I C -0.332 175.884 176.117 0.165 0.000 1.012 387 I CA -0.457 60.909 61.300 0.111 0.000 1.195 387 I CB 1.072 39.105 38.000 0.055 0.000 1.350 387 I HN 0.243 nan 8.210 nan 0.000 0.464 388 L N 5.408 126.717 121.223 0.143 0.000 2.287 388 L HA 0.349 4.722 4.340 0.055 0.000 0.287 388 L C -0.051 176.881 176.870 0.104 0.000 1.022 388 L CA -0.749 54.180 54.840 0.148 0.000 0.814 388 L CB 1.296 43.434 42.059 0.132 0.000 1.217 388 L HN 0.492 nan 8.230 nan 0.000 0.420 389 D N 1.743 122.209 120.400 0.110 0.000 2.363 389 D HA -0.033 4.640 4.640 0.055 0.000 0.263 389 D C 1.340 177.677 176.300 0.062 0.000 1.258 389 D CA 0.097 54.141 54.000 0.073 0.000 0.907 389 D CB 1.203 42.050 40.800 0.079 0.000 1.107 389 D HN 0.588 nan 8.370 nan 0.000 0.495 390 S N 2.084 117.810 115.700 0.045 0.000 2.465 390 S HA -0.119 4.384 4.470 0.055 0.000 0.241 390 S C 1.998 176.619 174.600 0.035 0.000 1.000 390 S CA 0.712 58.935 58.200 0.039 0.000 0.964 390 S CB -0.279 62.938 63.200 0.029 0.000 0.763 390 S HN 0.506 nan 8.310 nan 0.000 0.512 391 G N 1.186 110.006 108.800 0.033 0.000 2.484 391 G HA2 0.180 4.173 3.960 0.055 0.000 0.218 391 G HA3 0.180 4.173 3.960 0.055 0.000 0.218 391 G C 0.507 175.430 174.900 0.038 0.000 1.130 391 G CA -0.050 45.068 45.100 0.031 0.000 0.784 391 G HN 0.510 nan 8.290 nan 0.000 0.543 392 L N 1.087 122.340 121.223 0.050 0.000 2.426 392 L HA 0.254 4.627 4.340 0.055 0.000 0.271 392 L C 0.577 177.474 176.870 0.044 0.000 1.169 392 L CA -0.708 54.164 54.840 0.054 0.000 0.836 392 L CB 1.012 43.115 42.059 0.074 0.000 1.112 392 L HN 0.002 nan 8.230 nan 0.000 0.465 393 L N 2.231 123.475 121.223 0.036 0.000 2.499 393 L HA -0.069 4.304 4.340 0.055 0.000 0.281 393 L C 1.644 178.535 176.870 0.034 0.000 1.234 393 L CA 0.203 55.059 54.840 0.028 0.000 0.839 393 L CB 0.373 42.442 42.059 0.017 0.000 1.104 393 L HN 0.884 nan 8.230 nan 0.000 0.500 394 A N 2.140 124.978 122.820 0.030 0.000 1.892 394 A HA -0.282 4.071 4.320 0.055 0.000 0.218 394 A C 1.824 179.432 177.584 0.039 0.000 1.188 394 A CA 2.191 54.249 52.037 0.034 0.000 0.631 394 A CB -0.847 18.170 19.000 0.028 0.000 0.822 394 A HN 1.034 nan 8.150 nan 0.000 0.447 395 D N -0.447 119.972 120.400 0.031 0.000 2.178 395 D HA -0.157 4.516 4.640 0.055 0.000 0.201 395 D C 1.542 177.876 176.300 0.056 0.000 0.980 395 D CA 1.322 55.342 54.000 0.034 0.000 0.842 395 D CB -0.257 40.548 40.800 0.008 0.000 0.948 395 D HN 0.357 nan 8.370 nan 0.000 0.472 396 I N 0.510 121.108 120.570 0.047 0.000 2.286 396 I HA -0.175 4.028 4.170 0.055 0.000 0.245 396 I C 2.455 178.643 176.117 0.119 0.000 1.104 396 I CA 1.092 62.438 61.300 0.076 0.000 1.397 396 I CB -1.216 36.816 38.000 0.052 0.000 1.072 396 I HN 0.214 nan 8.210 nan 0.000 0.417 397 Q N 0.621 120.471 119.800 0.084 0.000 2.096 397 Q HA -0.207 4.166 4.340 0.055 0.000 0.204 397 Q C 2.024 178.059 176.000 0.058 0.000 0.982 397 Q CA 1.471 57.319 55.803 0.075 0.000 0.850 397 Q CB -0.124 28.654 28.738 0.068 0.000 0.901 397 Q HN 0.545 nan 8.270 nan 0.000 0.422 398 N N 0.156 118.895 118.700 0.066 0.000 2.142 398 N HA -0.144 4.629 4.740 0.055 0.000 0.186 398 N C 1.551 177.087 175.510 0.042 0.000 1.023 398 N CA 0.860 53.939 53.050 0.048 0.000 0.852 398 N CB -0.379 38.141 38.487 0.055 0.000 0.998 398 N HN 0.164 nan 8.380 nan 0.000 0.424 399 F N 2.174 122.081 119.950 -0.072 0.000 2.046 399 F HA -0.174 4.385 4.527 0.054 0.000 0.297 399 F C 2.327 178.010 175.800 -0.194 0.000 1.123 399 F CA 1.588 59.526 58.000 -0.103 0.000 1.199 399 F CB -0.655 38.295 39.000 -0.084 0.000 0.972 399 F HN 0.033 nan 8.300 nan 0.000 0.474 400 A N -0.173 122.500 122.820 -0.244 0.000 1.873 400 A HA -0.291 4.062 4.320 0.055 0.000 0.218 400 A C 2.306 179.396 177.584 -0.822 0.000 1.193 400 A CA 3.094 54.726 52.037 -0.675 0.000 0.629 400 A CB -1.798 16.948 19.000 -0.422 0.000 0.826 400 A HN 0.594 nan 8.150 nan 0.000 0.447 401 T N -1.540 112.831 114.554 -0.306 0.000 2.788 401 T HA -0.178 4.205 4.350 0.055 0.000 0.268 401 T C 1.669 176.267 174.700 -0.171 0.000 1.044 401 T CA 1.755 63.802 62.100 -0.089 0.000 1.139 401 T CB -0.626 68.257 68.868 0.025 0.000 0.867 401 T HN 0.427 nan 8.240 nan 0.000 0.454 402 N N 1.102 119.658 118.700 -0.240 0.000 2.188 402 N HA -0.030 4.743 4.740 0.055 0.000 0.184 402 N C 2.014 177.338 175.510 -0.309 0.000 1.018 402 N CA 1.028 53.944 53.050 -0.224 0.000 0.858 402 N CB -0.314 38.063 38.487 -0.182 0.000 0.989 402 N HN 0.498 nan 8.380 nan 0.000 0.426 403 E N 0.308 120.198 120.200 -0.517 0.000 2.072 403 E HA -0.063 4.320 4.350 0.055 0.000 0.191 403 E C 1.771 178.158 176.600 -0.355 0.000 0.985 403 E CA 0.633 56.758 56.400 -0.458 0.000 0.801 403 E CB -0.275 29.014 29.700 -0.685 0.000 0.750 403 E HN 0.286 nan 8.360 nan 0.000 0.452 404 F N 1.065 120.791 119.950 -0.373 0.000 2.171 404 F HA -0.067 4.494 4.527 0.057 0.000 0.300 404 F C 2.465 177.897 175.800 -0.613 0.000 1.090 404 F CA 0.768 58.427 58.000 -0.568 0.000 1.293 404 F CB -0.781 37.984 39.000 -0.392 0.000 1.013 404 F HN -0.044 nan 8.300 nan 0.000 0.486 405 R N 0.160 120.539 120.500 -0.201 0.000 2.091 405 R HA -0.149 4.224 4.340 0.055 0.000 0.238 405 R C 2.056 178.191 176.300 -0.274 0.000 1.136 405 R CA 1.435 57.412 56.100 -0.206 0.000 0.959 405 R CB -0.310 29.914 30.300 -0.128 0.000 0.856 405 R HN 0.199 nan 8.270 nan 0.000 0.437 406 E N 0.707 120.728 120.200 -0.298 0.000 2.152 406 E HA -0.130 4.253 4.350 0.055 0.000 0.192 406 E C 1.999 178.223 176.600 -0.627 0.000 0.983 406 E CA 0.535 56.764 56.400 -0.285 0.000 0.818 406 E CB -0.167 29.507 29.700 -0.043 0.000 0.758 406 E HN 0.329 nan 8.360 nan 0.000 0.467 407 L N 1.217 121.792 121.223 -1.081 0.000 2.046 407 L HA -0.160 4.213 4.340 0.055 0.000 0.208 407 L C 2.449 178.838 176.870 -0.801 0.000 1.077 407 L CA 1.221 55.227 54.840 -1.390 0.000 0.747 407 L CB -0.172 41.154 42.059 -1.221 0.000 0.896 407 L HN 0.062 nan 8.230 nan 0.000 0.432 408 V N -2.885 116.606 119.914 -0.705 0.000 2.427 408 V HA -0.247 3.906 4.120 0.055 0.000 0.248 408 V C 2.398 178.222 176.094 -0.451 0.000 1.051 408 V CA 1.703 63.661 62.300 -0.569 0.000 1.048 408 V CB -0.920 30.665 31.823 -0.397 0.000 0.666 408 V HN 0.410 nan 8.190 nan 0.000 0.456 409 K N 2.003 122.235 120.400 -0.281 0.000 2.009 409 K HA -0.081 4.272 4.320 0.055 0.000 0.210 409 K C 1.638 178.139 176.600 -0.164 0.000 1.049 409 K CA 1.763 57.975 56.287 -0.124 0.000 0.929 409 K CB -0.443 31.991 32.500 -0.111 0.000 0.714 409 K HN 0.780 nan 8.250 nan 0.000 0.440 444 K N 3.636 123.898 120.400 -0.230 0.000 2.413 444 K HA 0.409 4.762 4.320 0.055 0.000 0.257 444 K C -1.274 175.292 176.600 -0.055 0.000 0.946 444 K CA -0.671 55.493 56.287 -0.205 0.000 0.823 444 K CB 1.801 34.037 32.500 -0.441 0.000 1.109 444 K HN 0.337 nan 8.250 nan 0.000 0.427 445 V N 6.355 126.254 119.914 -0.026 0.000 2.383 445 V HA 0.459 4.612 4.120 0.055 0.000 0.275 445 V C 0.310 176.420 176.094 0.028 0.000 1.036 445 V CA -0.649 61.670 62.300 0.031 0.000 0.889 445 V CB 1.044 32.890 31.823 0.039 0.000 0.985 445 V HN 0.569 nan 8.190 nan 0.000 0.459 446 I N 4.073 124.673 120.570 0.050 0.000 2.436 446 I HA 0.448 4.651 4.170 0.055 0.000 0.289 446 I C -0.132 176.015 176.117 0.049 0.000 1.010 446 I CA -0.162 61.159 61.300 0.035 0.000 1.098 446 I CB 2.216 40.222 38.000 0.011 0.000 1.266 446 I HN 0.495 nan 8.210 nan 0.000 0.434 447 T N 5.420 120.000 114.554 0.043 0.000 2.815 447 T HA 0.507 4.890 4.350 0.055 0.000 0.289 447 T C -0.500 174.221 174.700 0.035 0.000 1.000 447 T CA -0.665 61.463 62.100 0.047 0.000 0.958 447 T CB 1.163 70.060 68.868 0.048 0.000 0.944 447 T HN 0.418 nan 8.240 nan 0.000 0.442 448 E N 1.273 121.491 120.200 0.031 0.000 2.458 448 E HA 0.237 4.620 4.350 0.055 0.000 0.278 448 E C -1.148 175.461 176.600 0.015 0.000 1.004 448 E CA -0.839 55.572 56.400 0.019 0.000 0.823 448 E CB 1.492 31.197 29.700 0.009 0.000 1.396 448 E HN 0.452 nan 8.360 nan 0.000 0.463 449 D N 1.647 122.050 120.400 0.006 0.000 2.470 449 D HA 0.075 4.748 4.640 0.055 0.000 0.226 449 D C 0.721 177.011 176.300 -0.018 0.000 1.196 449 D CA -0.200 53.799 54.000 -0.001 0.000 0.979 449 D CB -0.002 40.797 40.800 -0.002 0.000 1.059 449 D HN 0.117 nan 8.370 nan 0.000 0.515 450 L N 3.188 124.397 121.223 -0.023 0.000 2.447 450 L HA -0.094 4.279 4.340 0.055 0.000 0.225 450 L C 1.620 178.432 176.870 -0.097 0.000 1.148 450 L CA 0.938 55.744 54.840 -0.056 0.000 0.808 450 L CB -1.007 41.019 42.059 -0.054 0.000 0.928 450 L HN 0.329 nan 8.230 nan 0.000 0.448 451 N N -0.780 117.877 118.700 -0.072 0.000 2.276 451 N HA 0.017 4.790 4.740 0.055 0.000 0.212 451 N C -0.274 175.206 175.510 -0.051 0.000 1.127 451 N CA 0.149 53.152 53.050 -0.079 0.000 0.834 451 N CB 0.305 38.758 38.487 -0.056 0.000 1.014 451 N HN 0.264 nan 8.380 nan 0.000 0.491 452 S N -2.068 113.606 115.700 -0.043 0.000 2.548 452 S HA 0.377 4.880 4.470 0.055 0.000 0.286 452 S C 0.094 174.675 174.600 -0.030 0.000 1.098 452 S CA -0.816 57.367 58.200 -0.028 0.000 0.930 452 S CB 1.660 64.851 63.200 -0.016 0.000 1.070 452 S HN -0.103 nan 8.310 nan 0.000 0.480 453 D N 1.718 122.104 120.400 -0.023 0.000 2.178 453 D HA -0.046 4.627 4.640 0.055 0.000 0.201 453 D C 1.382 177.669 176.300 -0.021 0.000 0.980 453 D CA 1.355 55.341 54.000 -0.023 0.000 0.842 453 D CB -0.115 40.676 40.800 -0.015 0.000 0.948 453 D HN 0.627 nan 8.370 nan 0.000 0.472 454 K N 0.263 120.654 120.400 -0.015 0.000 2.097 454 K HA 0.045 4.398 4.320 0.055 0.000 0.205 454 K C 2.112 178.705 176.600 -0.013 0.000 1.050 454 K CA 1.117 57.398 56.287 -0.012 0.000 0.938 454 K CB -0.795 31.701 32.500 -0.006 0.000 0.718 454 K HN 0.134 nan 8.250 nan 0.000 0.442 455 G N 1.259 110.050 108.800 -0.015 0.000 2.404 455 G HA2 -0.179 3.814 3.960 0.055 0.000 0.215 455 G HA3 -0.179 3.814 3.960 0.055 0.000 0.215 455 G C 1.602 176.489 174.900 -0.022 0.000 1.174 455 G CA 0.736 45.827 45.100 -0.015 0.000 0.780 455 G HN 0.193 nan 8.290 nan 0.000 0.537 456 I N 0.633 121.184 120.570 -0.031 0.000 2.163 456 I HA -0.173 4.030 4.170 0.055 0.000 0.243 456 I C 2.694 178.788 176.117 -0.039 0.000 1.085 456 I CA 0.882 62.158 61.300 -0.039 0.000 1.347 456 I CB -0.244 37.728 38.000 -0.046 0.000 1.044 456 I HN 0.149 nan 8.210 nan 0.000 0.408 457 I N 0.301 120.851 120.570 -0.033 0.000 2.151 457 I HA -0.298 3.905 4.170 0.055 0.000 0.243 457 I C 2.658 178.758 176.117 -0.029 0.000 1.080 457 I CA 1.319 62.600 61.300 -0.032 0.000 1.339 457 I CB -0.457 37.529 38.000 -0.024 0.000 1.039 457 I HN 0.267 nan 8.210 nan 0.000 0.409 458 E N 0.593 120.781 120.200 -0.020 0.000 2.110 458 E HA -0.163 4.220 4.350 0.055 0.000 0.193 458 E C 2.344 178.933 176.600 -0.018 0.000 0.988 458 E CA 1.141 57.534 56.400 -0.011 0.000 0.804 458 E CB -0.200 29.499 29.700 -0.002 0.000 0.745 458 E HN 0.317 nan 8.360 nan 0.000 0.458 459 V N 0.618 120.513 119.914 -0.032 0.000 2.233 459 V HA -0.267 3.887 4.120 0.055 0.000 0.247 459 V C 2.646 178.686 176.094 -0.089 0.000 1.050 459 V CA 1.683 63.950 62.300 -0.056 0.000 1.010 459 V CB -0.755 31.034 31.823 -0.057 0.000 0.637 459 V HN 0.076 nan 8.190 nan 0.000 0.444 460 V N -0.153 119.709 119.914 -0.086 0.000 2.282 460 V HA -0.342 3.812 4.120 0.055 0.000 0.249 460 V C 2.420 178.465 176.094 -0.082 0.000 1.057 460 V CA 2.385 64.624 62.300 -0.102 0.000 1.032 460 V CB -0.793 30.979 31.823 -0.085 0.000 0.645 460 V HN 0.616 nan 8.190 nan 0.000 0.447 461 E N -0.415 119.757 120.200 -0.047 0.000 2.051 461 E HA -0.267 4.116 4.350 0.055 0.000 0.192 461 E C 2.409 179.016 176.600 0.012 0.000 0.991 461 E CA 1.499 57.886 56.400 -0.022 0.000 0.799 461 E CB -0.179 29.515 29.700 -0.010 0.000 0.748 461 E HN 0.675 nan 8.360 nan 0.000 0.449 462 Q N 0.142 119.959 119.800 0.029 0.000 2.084 462 Q HA -0.147 4.226 4.340 0.055 0.000 0.202 462 Q C 2.391 178.490 176.000 0.164 0.000 0.978 462 Q CA 1.366 57.247 55.803 0.130 0.000 0.844 462 Q CB 0.007 28.801 28.738 0.093 0.000 0.898 462 Q HN 0.173 nan 8.270 nan 0.000 0.426 463 V N 1.136 120.989 119.914 -0.101 0.000 2.358 463 V HA -0.257 3.896 4.120 0.055 0.000 0.246 463 V C 2.535 178.567 176.094 -0.105 0.000 1.047 463 V CA 1.917 64.001 62.300 -0.360 0.000 1.035 463 V CB -0.813 30.598 31.823 -0.686 0.000 0.658 463 V HN 0.479 nan 8.190 nan 0.000 0.452 464 S N -0.177 115.482 115.700 -0.069 0.000 2.383 464 S HA -0.263 4.240 4.470 0.055 0.000 0.229 464 S C 2.180 176.795 174.600 0.025 0.000 1.030 464 S CA 1.954 60.134 58.200 -0.032 0.000 1.002 464 S CB -0.754 62.417 63.200 -0.050 0.000 0.829 464 S HN 0.522 nan 8.310 nan 0.000 0.467 465 S N 0.316 116.048 115.700 0.054 0.000 2.382 465 S HA 0.075 4.578 4.470 0.055 0.000 0.228 465 S C 0.449 175.026 174.600 -0.039 0.000 1.027 465 S CA 0.478 58.673 58.200 -0.008 0.000 0.991 465 S CB -0.619 62.559 63.200 -0.037 0.000 0.823 465 S HN 0.482 nan 8.310 nan 0.000 0.469 469 G N 1.027 109.823 108.800 -0.007 0.000 2.162 469 G HA2 -0.277 3.716 3.960 0.055 0.000 0.260 469 G HA3 -0.277 3.716 3.960 0.055 0.000 0.260 469 G C -0.522 174.383 174.900 0.008 0.000 0.976 469 G CA 0.791 45.888 45.100 -0.005 0.000 0.655 469 G HN 0.497 nan 8.290 nan 0.000 0.533 470 K N -0.080 120.333 120.400 0.022 0.000 2.156 470 K HA 0.657 5.010 4.320 0.055 0.000 0.254 470 K C 0.913 177.530 176.600 0.028 0.000 0.950 470 K CA -0.569 55.743 56.287 0.042 0.000 0.849 470 K CB 1.584 34.135 32.500 0.085 0.000 1.100 470 K HN 0.148 nan 8.250 nan 0.000 0.434 471 E N 1.086 121.310 120.200 0.041 0.000 2.190 471 E HA 0.157 4.540 4.350 0.055 0.000 0.191 471 E C -0.366 176.294 176.600 0.101 0.000 0.978 471 E CA 0.357 56.780 56.400 0.039 0.000 0.839 471 E CB 0.500 30.225 29.700 0.041 0.000 0.787 471 E HN 0.294 nan 8.360 nan 0.000 0.473 472 L N -0.449 120.854 121.223 0.133 0.000 2.545 472 L HA 0.550 4.923 4.340 0.055 0.000 0.258 472 L C -1.115 175.867 176.870 0.186 0.000 0.942 472 L CA -0.654 54.302 54.840 0.193 0.000 0.855 472 L CB 2.091 44.284 42.059 0.223 0.000 1.374 472 L HN 0.068 nan 8.230 nan 0.000 0.411 473 G N 3.082 112.007 108.800 0.208 0.000 2.642 473 G HA2 0.738 4.731 3.960 0.055 0.000 0.293 473 G HA3 0.738 4.731 3.960 0.055 0.000 0.293 473 G C -2.076 172.941 174.900 0.195 0.000 1.341 473 G CA -0.582 44.660 45.100 0.236 0.000 0.916 473 G HN 0.459 nan 8.290 nan 0.000 0.474 474 L N 0.285 121.596 121.223 0.147 0.000 2.408 474 L HA 0.753 5.126 4.340 0.055 0.000 0.268 474 L C -0.070 176.742 176.870 -0.097 0.000 0.986 474 L CA -0.998 53.814 54.840 -0.047 0.000 0.820 474 L CB 2.370 44.360 42.059 -0.115 0.000 1.303 474 L HN 0.719 nan 8.230 nan 0.000 0.411 475 A N 2.953 125.581 122.820 -0.320 0.000 2.343 475 A HA 0.824 5.177 4.320 0.055 0.000 0.308 475 A C -1.391 175.771 177.584 -0.705 0.000 1.092 475 A CA -0.296 51.577 52.037 -0.273 0.000 0.751 475 A CB 0.688 19.636 19.000 -0.086 0.000 1.203 475 A HN 0.468 nan 8.150 nan 0.000 0.452 476 F N 2.409 122.162 119.950 -0.328 0.000 2.402 476 F HA 0.560 5.121 4.527 0.056 0.000 0.355 476 F C 0.062 175.457 175.800 -0.675 0.000 1.123 476 F CA -0.441 57.071 58.000 -0.814 0.000 1.021 476 F CB 1.554 39.621 39.000 -1.554 0.000 1.160 476 F HN 0.346 nan 8.300 nan 0.000 0.451 477 I N 3.290 123.729 120.570 -0.218 0.000 2.406 477 I HA 0.637 4.840 4.170 0.055 0.000 0.290 477 I C -0.334 176.006 176.117 0.370 0.000 0.999 477 I CA -0.941 60.424 61.300 0.108 0.000 1.124 477 I CB 1.755 39.826 38.000 0.118 0.000 1.289 477 I HN 0.631 nan 8.210 nan 0.000 0.441 478 A N 5.337 128.421 122.820 0.440 0.000 2.287 478 A HA 0.907 5.260 4.320 0.055 0.000 0.317 478 A C -0.377 177.375 177.584 0.280 0.000 1.220 478 A CA -0.361 51.913 52.037 0.395 0.000 0.835 478 A CB 0.942 20.143 19.000 0.335 0.000 1.180 478 A HN 0.837 nan 8.150 nan 0.000 0.500 479 A N 2.939 125.934 122.820 0.291 0.000 2.515 479 A HA 0.785 5.139 4.320 0.055 0.000 0.296 479 A C 0.018 177.746 177.584 0.241 0.000 1.094 479 A CA -0.865 51.329 52.037 0.262 0.000 0.718 479 A CB 0.998 20.224 19.000 0.377 0.000 1.307 479 A HN 0.855 nan 8.150 nan 0.000 0.408 480 R N 0.769 121.363 120.500 0.158 0.000 2.738 480 R HA 0.119 4.492 4.340 0.055 0.000 0.268 480 R C 0.232 176.652 176.300 0.201 0.000 1.062 480 R CA -0.515 55.666 56.100 0.135 0.000 1.158 480 R CB 0.377 30.721 30.300 0.074 0.000 1.046 480 R HN 0.746 nan 8.270 nan 0.000 0.493 481 N N 1.586 120.387 118.700 0.167 0.000 2.396 481 N HA -0.101 4.672 4.740 0.055 0.000 0.180 481 N C 0.879 176.498 175.510 0.181 0.000 1.028 481 N CA 1.000 54.167 53.050 0.195 0.000 0.893 481 N CB 0.111 38.673 38.487 0.125 0.000 0.967 481 N HN 0.423 nan 8.380 nan 0.000 0.440 482 K N 0.423 120.889 120.400 0.110 0.000 2.280 482 K HA -0.034 4.320 4.320 0.055 0.000 0.202 482 K C 0.156 176.773 176.600 0.029 0.000 1.047 482 K CA 0.212 56.539 56.287 0.066 0.000 0.942 482 K CB -0.072 32.451 32.500 0.039 0.000 0.739 482 K HN 0.032 nan 8.250 nan 0.000 0.457 483 L N 2.228 123.424 121.223 -0.045 0.000 2.525 483 L HA -0.079 4.294 4.340 0.055 0.000 0.278 483 L C 0.810 177.633 176.870 -0.079 0.000 1.218 483 L CA 0.440 55.131 54.840 -0.248 0.000 0.878 483 L CB 0.362 41.880 42.059 -0.902 0.000 1.127 483 L HN 0.117 nan 8.230 nan 0.000 0.492 484 S N 1.405 117.065 115.700 -0.067 0.000 2.589 484 S HA 0.096 4.599 4.470 0.055 0.000 0.265 484 S C 1.279 175.950 174.600 0.119 0.000 1.342 484 S CA -0.197 58.019 58.200 0.027 0.000 1.005 484 S CB 0.736 63.928 63.200 -0.012 0.000 0.909 484 S HN 0.585 nan 8.310 nan 0.000 0.555 485 S N 0.369 116.158 115.700 0.149 0.000 2.382 485 S HA -0.132 4.371 4.470 0.055 0.000 0.228 485 S C 1.785 176.490 174.600 0.175 0.000 1.027 485 S CA 1.288 59.616 58.200 0.213 0.000 0.991 485 S CB -0.579 62.694 63.200 0.121 0.000 0.823 485 S HN 0.877 nan 8.310 nan 0.000 0.469 486 E N 1.304 121.548 120.200 0.073 0.000 2.058 486 E HA -0.195 4.188 4.350 0.055 0.000 0.194 486 E C 1.877 178.503 176.600 0.044 0.000 0.997 486 E CA 1.159 57.584 56.400 0.042 0.000 0.801 486 E CB -0.025 29.665 29.700 -0.017 0.000 0.746 486 E HN 0.391 nan 8.360 nan 0.000 0.450 487 K N -0.513 119.881 120.400 -0.010 0.000 2.097 487 K HA -0.134 4.219 4.320 0.055 0.000 0.206 487 K C 2.003 178.579 176.600 -0.040 0.000 1.049 487 K CA 1.214 57.456 56.287 -0.074 0.000 0.933 487 K CB -0.186 32.207 32.500 -0.178 0.000 0.717 487 K HN 0.128 nan 8.250 nan 0.000 0.442 488 F N 1.520 121.497 119.950 0.045 0.000 2.113 488 F HA -0.169 4.391 4.527 0.055 0.000 0.297 488 F C 2.532 178.385 175.800 0.088 0.000 1.103 488 F CA 1.458 59.498 58.000 0.066 0.000 1.248 488 F CB -0.540 38.507 39.000 0.077 0.000 0.999 488 F HN 0.054 nan 8.300 nan 0.000 0.475 489 E N 0.545 120.929 120.200 0.307 0.000 2.058 489 E HA -0.215 4.168 4.350 0.055 0.000 0.194 489 E C 1.983 178.666 176.600 0.138 0.000 0.997 489 E CA 1.854 58.417 56.400 0.271 0.000 0.801 489 E CB -0.257 29.590 29.700 0.245 0.000 0.746 489 E HN 0.457 nan 8.360 nan 0.000 0.450 490 E N -0.028 120.211 120.200 0.065 0.000 2.077 490 E HA -0.186 4.198 4.350 0.055 0.000 0.193 490 E C 2.277 178.847 176.600 -0.051 0.000 0.989 490 E CA 1.357 57.743 56.400 -0.024 0.000 0.800 490 E CB -0.221 29.464 29.700 -0.025 0.000 0.746 490 E HN 0.390 nan 8.360 nan 0.000 0.452 491 I N 1.312 121.884 120.570 0.003 0.000 2.127 491 I HA -0.315 3.888 4.170 0.055 0.000 0.241 491 I C 2.358 178.468 176.117 -0.010 0.000 1.075 491 I CA 1.362 62.661 61.300 -0.000 0.000 1.334 491 I CB -0.238 37.792 38.000 0.051 0.000 1.040 491 I HN 0.043 nan 8.210 nan 0.000 0.405 492 K N 0.280 120.715 120.400 0.058 0.000 2.057 492 K HA -0.212 4.141 4.320 0.055 0.000 0.207 492 K C 2.270 178.710 176.600 -0.267 0.000 1.049 492 K CA 1.302 57.638 56.287 0.082 0.000 0.931 492 K CB -0.279 32.435 32.500 0.357 0.000 0.714 492 K HN 0.248 nan 8.250 nan 0.000 0.440 493 R N 1.520 121.644 120.500 -0.626 0.000 2.073 493 R HA -0.093 4.280 4.340 0.055 0.000 0.234 493 R C 2.215 178.190 176.300 -0.542 0.000 1.134 493 R CA 1.339 56.691 56.100 -1.247 0.000 0.952 493 R CB 0.013 29.639 30.300 -1.124 0.000 0.850 493 R HN 0.077 nan 8.270 nan 0.000 0.433 494 R N 0.156 120.473 120.500 -0.306 0.000 2.092 494 R HA -0.065 4.308 4.340 0.055 0.000 0.231 494 R C 2.355 178.565 176.300 -0.150 0.000 1.119 494 R CA 1.345 57.332 56.100 -0.188 0.000 0.970 494 R CB -0.251 29.967 30.300 -0.137 0.000 0.864 494 R HN 0.288 nan 8.270 nan 0.000 0.440 495 L N -0.707 120.443 121.223 -0.122 0.000 2.109 495 L HA -0.135 4.238 4.340 0.055 0.000 0.207 495 L C 2.190 179.033 176.870 -0.045 0.000 1.086 495 L CA 0.850 55.637 54.840 -0.089 0.000 0.760 495 L CB -0.339 41.687 42.059 -0.055 0.000 0.910 495 L HN 0.106 nan 8.230 nan 0.000 0.437 496 F N 1.307 121.178 119.950 -0.131 0.000 2.234 496 F HA -0.155 4.405 4.527 0.055 0.000 0.299 496 F C 2.271 178.019 175.800 -0.086 0.000 1.087 496 F CA 1.136 59.111 58.000 -0.042 0.000 1.340 496 F CB -0.297 38.759 39.000 0.094 0.000 1.031 496 F HN 0.115 nan 8.300 nan 0.000 0.500 497 N N 0.664 119.249 118.700 -0.191 0.000 2.348 497 N HA -0.126 4.647 4.740 0.055 0.000 0.185 497 N C 1.462 176.804 175.510 -0.281 0.000 1.019 497 N CA 1.117 54.031 53.050 -0.227 0.000 0.880 497 N CB -0.354 38.047 38.487 -0.142 0.000 0.965 497 N HN 0.363 nan 8.380 nan 0.000 0.437 498 L N 0.231 121.303 121.223 -0.252 0.000 2.653 498 L HA 0.184 4.557 4.340 0.055 0.000 0.231 498 L C -0.026 176.714 176.870 -0.216 0.000 1.153 498 L CA -0.096 54.625 54.840 -0.199 0.000 0.933 498 L CB -0.224 41.749 42.059 -0.144 0.000 1.175 498 L HN 0.016 nan 8.230 nan 0.000 0.473 499 N N -0.403 118.054 118.700 -0.405 0.000 2.776 499 N HA -0.136 4.637 4.740 0.055 0.000 0.250 499 N C -0.584 174.891 175.510 -0.058 0.000 1.112 499 N CA 0.455 53.296 53.050 -0.348 0.000 0.733 499 N CB -1.400 36.981 38.487 -0.176 0.000 1.097 499 N HN 0.082 nan 8.380 nan 0.000 0.558 500 V N 1.820 121.719 119.914 -0.026 0.000 2.357 500 V HA 0.420 4.573 4.120 0.055 0.000 0.284 500 V C 0.598 176.848 176.094 0.260 0.000 1.018 500 V CA -0.759 61.615 62.300 0.123 0.000 0.841 500 V CB 1.886 33.733 31.823 0.040 0.000 0.991 500 V HN 0.020 nan 8.190 nan 0.000 0.437 501 I N 4.497 125.236 120.570 0.283 0.000 2.472 501 I HA 0.485 4.688 4.170 0.055 0.000 0.290 501 I C 0.627 176.791 176.117 0.079 0.000 1.016 501 I CA 0.373 61.858 61.300 0.307 0.000 1.348 501 I CB 1.619 39.778 38.000 0.264 0.000 1.417 501 I HN 0.775 nan 8.210 nan 0.000 0.521 502 S N 5.154 120.900 115.700 0.077 0.000 2.599 502 S HA 0.746 5.249 4.470 0.055 0.000 0.294 502 S C -0.807 173.733 174.600 -0.100 0.000 1.094 502 S CA -0.807 57.344 58.200 -0.082 0.000 0.931 502 S CB 2.784 65.983 63.200 -0.001 0.000 1.093 502 S HN 0.493 nan 8.310 nan 0.000 0.488 503 Q N 1.013 120.690 119.800 -0.205 0.000 2.274 503 Q HA 0.592 4.965 4.340 0.055 0.000 0.268 503 Q C -1.932 174.058 176.000 -0.017 0.000 1.015 503 Q CA -0.540 55.210 55.803 -0.088 0.000 0.775 503 Q CB 1.757 30.453 28.738 -0.070 0.000 1.256 503 Q HN 0.704 nan 8.270 nan 0.000 0.442 504 V N 4.092 124.031 119.914 0.041 0.000 2.472 504 V HA 0.663 4.816 4.120 0.055 0.000 0.290 504 V C -0.502 175.666 176.094 0.123 0.000 1.037 504 V CA -0.720 61.635 62.300 0.091 0.000 0.908 504 V CB 1.741 33.573 31.823 0.015 0.000 0.985 504 V HN 0.635 nan 8.190 nan 0.000 0.454 505 V N 4.716 124.770 119.914 0.235 0.000 2.443 505 V HA 0.404 4.557 4.120 0.055 0.000 0.293 505 V C -0.178 176.040 176.094 0.206 0.000 1.021 505 V CA -0.946 61.488 62.300 0.224 0.000 0.848 505 V CB 1.736 33.755 31.823 0.325 0.000 0.998 505 V HN 1.076 nan 8.190 nan 0.000 0.424 506 N N 2.488 121.269 118.700 0.135 0.000 2.463 506 N HA 0.180 4.953 4.740 0.055 0.000 0.270 506 N C 0.861 176.458 175.510 0.144 0.000 1.205 506 N CA -0.642 52.504 53.050 0.159 0.000 0.974 506 N CB 0.794 39.351 38.487 0.117 0.000 1.197 506 N HN 0.673 nan 8.380 nan 0.000 0.504 507 E N -0.724 119.562 120.200 0.144 0.000 2.171 507 E HA -0.323 4.060 4.350 0.055 0.000 0.197 507 E C 0.759 177.405 176.600 0.075 0.000 0.997 507 E CA 1.297 57.760 56.400 0.106 0.000 0.810 507 E CB -0.053 29.703 29.700 0.094 0.000 0.738 507 E HN 0.718 nan 8.360 nan 0.000 0.467 508 D N -0.715 119.729 120.400 0.074 0.000 2.097 508 D HA -0.141 4.532 4.640 0.055 0.000 0.195 508 D C 1.638 177.969 176.300 0.052 0.000 0.989 508 D CA 1.742 55.774 54.000 0.053 0.000 0.827 508 D CB 0.090 40.920 40.800 0.051 0.000 0.966 508 D HN 0.166 nan 8.370 nan 0.000 0.456 509 T N 1.286 115.882 114.554 0.071 0.000 2.746 509 T HA -0.107 4.276 4.350 0.055 0.000 0.267 509 T C 2.179 176.937 174.700 0.098 0.000 1.039 509 T CA 0.727 62.876 62.100 0.083 0.000 1.142 509 T CB -0.249 68.676 68.868 0.096 0.000 0.866 509 T HN 0.172 nan 8.240 nan 0.000 0.444 510 L N 0.276 121.570 121.223 0.118 0.000 2.083 510 L HA -0.093 4.280 4.340 0.055 0.000 0.209 510 L C 2.660 179.493 176.870 -0.061 0.000 1.083 510 L CA 1.386 56.317 54.840 0.152 0.000 0.752 510 L CB -0.411 41.760 42.059 0.188 0.000 0.899 510 L HN 0.200 nan 8.230 nan 0.000 0.433 511 K N -0.459 119.908 120.400 -0.055 0.000 2.211 511 K HA 0.026 4.379 4.320 0.055 0.000 0.201 511 K C 1.149 177.698 176.600 -0.086 0.000 1.052 511 K CA 0.662 56.883 56.287 -0.111 0.000 0.973 511 K CB 0.114 32.575 32.500 -0.064 0.000 0.766 511 K HN 0.311 nan 8.250 nan 0.000 0.466 512 N N 0.502 119.183 118.700 -0.032 0.000 2.205 512 N HA 0.023 4.796 4.740 0.055 0.000 0.201 512 N C 0.030 175.540 175.510 -0.000 0.000 1.128 512 N CA 0.316 53.354 53.050 -0.020 0.000 0.867 512 N CB 0.798 39.283 38.487 -0.003 0.000 0.996 512 N HN -0.036 nan 8.380 nan 0.000 0.503 513 K N 1.009 121.420 120.400 0.019 0.000 2.758 513 K HA 0.243 4.596 4.320 0.055 0.000 0.208 513 K C 0.163 176.797 176.600 0.057 0.000 1.091 513 K CA -0.183 56.134 56.287 0.051 0.000 1.059 513 K CB 1.107 33.659 32.500 0.087 0.000 0.801 513 K HN 0.098 nan 8.250 nan 0.000 0.470 514 R N 1.126 121.635 120.500 0.014 0.000 2.539 514 R HA 0.097 4.470 4.340 0.055 0.000 0.275 514 R C -0.166 176.144 176.300 0.017 0.000 1.077 514 R CA -0.466 55.649 56.100 0.025 0.000 1.097 514 R CB 0.457 30.717 30.300 -0.066 0.000 1.018 514 R HN 0.053 nan 8.270 nan 0.000 0.483 515 D N 1.266 121.690 120.400 0.041 0.000 2.455 515 D HA -0.031 4.642 4.640 0.055 0.000 0.241 515 D C 0.650 176.938 176.300 -0.021 0.000 1.138 515 D CA 0.414 54.431 54.000 0.028 0.000 0.877 515 D CB 0.910 41.743 40.800 0.056 0.000 1.187 515 D HN 0.302 nan 8.370 nan 0.000 0.451 516 K N 2.289 122.635 120.400 -0.091 0.000 2.209 516 K HA -0.175 4.178 4.320 0.055 0.000 0.204 516 K C 0.818 177.205 176.600 -0.354 0.000 1.048 516 K CA 1.050 57.181 56.287 -0.259 0.000 0.940 516 K CB -0.031 32.224 32.500 -0.408 0.000 0.729 516 K HN 0.587 nan 8.250 nan 0.000 0.451 517 Y N -0.102 120.204 120.300 0.010 0.000 2.457 517 Y HA 0.093 4.646 4.550 0.005 0.000 0.263 517 Y C -0.177 175.735 175.900 0.021 0.000 1.164 517 Y CA -0.206 57.903 58.100 0.016 0.000 1.274 517 Y CB 0.607 39.078 38.460 0.018 0.000 1.097 517 Y HN -0.069 nan 8.280 nan 0.000 0.523 518 D N -0.414 120.052 120.400 0.110 0.000 2.362 518 D HA 0.105 4.778 4.640 0.055 0.000 0.232 518 D C 0.506 176.845 176.300 0.065 0.000 1.329 518 D CA -0.422 53.632 54.000 0.090 0.000 0.944 518 D CB 0.526 41.385 40.800 0.097 0.000 1.471 518 D HN 0.281 nan 8.370 nan 0.000 0.533 519 R N 1.731 122.250 120.500 0.032 0.000 2.341 519 R HA 0.052 4.425 4.340 0.055 0.000 0.213 519 R C 0.125 176.443 176.300 0.031 0.000 1.082 519 R CA 0.689 56.786 56.100 -0.005 0.000 1.017 519 R CB -0.169 30.102 30.300 -0.048 0.000 0.860 519 R HN 0.050 nan 8.270 nan 0.000 0.473 520 N N 0.792 119.568 118.700 0.128 0.000 2.279 520 N HA 0.063 4.836 4.740 0.055 0.000 0.226 520 N C -0.740 175.013 175.510 0.406 0.000 1.126 520 N CA 0.065 53.282 53.050 0.279 0.000 0.846 520 N CB 0.585 39.173 38.487 0.169 0.000 1.050 520 N HN 0.270 nan 8.380 nan 0.000 0.502 521 R N 0.544 121.263 120.500 0.366 0.000 2.651 521 R HA 0.293 4.666 4.340 0.055 0.000 0.278 521 R C -1.171 175.281 176.300 0.255 0.000 1.010 521 R CA -0.640 55.583 56.100 0.206 0.000 0.896 521 R CB 1.403 31.738 30.300 0.059 0.000 1.211 521 R HN -0.121 nan 8.270 nan 0.000 0.456 522 L N 2.119 123.430 121.223 0.147 0.000 2.453 522 L HA 0.200 4.573 4.340 0.055 0.000 0.261 522 L C 0.323 177.207 176.870 0.024 0.000 1.179 522 L CA 0.472 55.400 54.840 0.146 0.000 0.813 522 L CB 0.561 42.647 42.059 0.045 0.000 1.110 522 L HN 0.628 nan 8.230 nan 0.000 0.466 523 D N 0.629 121.057 120.400 0.047 0.000 2.419 523 D HA -0.096 4.577 4.640 0.055 0.000 0.236 523 D C 0.975 177.276 176.300 0.001 0.000 1.165 523 D CA 0.074 54.100 54.000 0.043 0.000 0.882 523 D CB 0.998 41.855 40.800 0.095 0.000 1.201 523 D HN 0.466 nan 8.370 nan 0.000 0.443 524 L N 3.561 124.807 121.223 0.038 0.000 2.109 524 L HA -0.089 4.284 4.340 0.055 0.000 0.207 524 L C 1.900 178.854 176.870 0.140 0.000 1.086 524 L CA 1.324 56.194 54.840 0.050 0.000 0.760 524 L CB -0.557 41.554 42.059 0.087 0.000 0.910 524 L HN 0.471 nan 8.230 nan 0.000 0.437 525 F N -0.666 119.276 119.950 -0.014 0.000 2.075 525 F HA -0.198 4.362 4.527 0.055 0.000 0.297 525 F C 2.207 177.985 175.800 -0.037 0.000 1.113 525 F CA 2.103 60.084 58.000 -0.032 0.000 1.218 525 F CB -0.733 38.249 39.000 -0.030 0.000 0.984 525 F HN -0.098 nan 8.300 nan 0.000 0.472 526 V N 1.211 121.089 119.914 -0.059 0.000 2.287 526 V HA -0.315 3.838 4.120 0.055 0.000 0.248 526 V C 2.594 178.564 176.094 -0.205 0.000 1.053 526 V CA 2.298 64.500 62.300 -0.163 0.000 1.027 526 V CB -0.766 31.062 31.823 0.008 0.000 0.646 526 V HN 0.293 nan 8.190 nan 0.000 0.447 527 R N -0.928 119.445 120.500 -0.211 0.000 2.083 527 R HA -0.204 4.169 4.340 0.055 0.000 0.237 527 R C 2.282 178.367 176.300 -0.359 0.000 1.137 527 R CA 2.086 57.969 56.100 -0.362 0.000 0.951 527 R CB -0.503 29.332 30.300 -0.774 0.000 0.851 527 R HN 0.604 nan 8.270 nan 0.000 0.434 528 H N 0.141 118.921 119.070 -0.483 0.000 2.321 528 H HA -0.038 4.550 4.556 0.054 0.000 0.300 528 H C 1.963 176.578 175.328 -1.189 0.000 1.087 528 H CA 1.643 57.228 56.048 -0.771 0.000 1.319 528 H CB -0.073 29.263 29.762 -0.710 0.000 1.379 528 H HN 0.198 nan 8.280 nan 0.000 0.501 529 N N 0.205 118.467 118.700 -0.730 0.000 2.244 529 N HA -0.109 4.664 4.740 0.055 0.000 0.183 529 N C 1.935 177.290 175.510 -0.259 0.000 1.016 529 N CA 0.664 53.401 53.050 -0.522 0.000 0.866 529 N CB -0.086 38.128 38.487 -0.454 0.000 0.980 529 N HN 0.314 nan 8.380 nan 0.000 0.430 530 L N 0.484 121.594 121.223 -0.189 0.000 2.017 530 L HA -0.161 4.212 4.340 0.055 0.000 0.208 530 L C 2.314 179.156 176.870 -0.047 0.000 1.073 530 L CA 0.702 55.520 54.840 -0.036 0.000 0.745 530 L CB -0.353 41.750 42.059 0.073 0.000 0.894 530 L HN 0.133 nan 8.230 nan 0.000 0.432 531 L N -0.756 120.397 121.223 -0.116 0.000 2.046 531 L HA -0.214 4.159 4.340 0.055 0.000 0.208 531 L C 2.328 179.140 176.870 -0.097 0.000 1.077 531 L CA 1.841 56.612 54.840 -0.115 0.000 0.747 531 L CB -0.677 41.299 42.059 -0.138 0.000 0.896 531 L HN 0.029 nan 8.230 nan 0.000 0.432 532 F N -0.121 119.674 119.950 -0.259 0.000 2.134 532 F HA -0.178 4.383 4.527 0.056 0.000 0.299 532 F C 2.641 178.243 175.800 -0.330 0.000 1.097 532 F CA 1.108 58.786 58.000 -0.537 0.000 1.264 532 F CB -1.318 37.506 39.000 -0.294 0.000 1.001 532 F HN 0.253 nan 8.300 nan 0.000 0.479 533 Q N -0.066 119.771 119.800 0.062 0.000 2.050 533 Q HA -0.152 4.221 4.340 0.055 0.000 0.202 533 Q C 2.420 178.417 176.000 -0.006 0.000 0.980 533 Q CA 1.876 57.713 55.803 0.056 0.000 0.840 533 Q CB -0.518 28.250 28.738 0.050 0.000 0.898 533 Q HN 0.236 nan 8.270 nan 0.000 0.424 534 V N 0.862 120.765 119.914 -0.018 0.000 2.261 534 V HA -0.262 3.891 4.120 0.055 0.000 0.246 534 V C 2.210 178.256 176.094 -0.079 0.000 1.047 534 V CA 1.355 63.636 62.300 -0.032 0.000 1.015 534 V CB -0.550 31.284 31.823 0.018 0.000 0.642 534 V HN 0.289 nan 8.190 nan 0.000 0.446 535 L N 1.163 122.320 121.223 -0.109 0.000 2.043 535 L HA -0.179 4.194 4.340 0.055 0.000 0.212 535 L C 2.774 179.606 176.870 -0.064 0.000 1.075 535 L CA 2.513 57.281 54.840 -0.120 0.000 0.752 535 L CB -1.194 40.751 42.059 -0.189 0.000 0.891 535 L HN 0.619 nan 8.230 nan 0.000 0.432 536 S N -1.606 114.092 115.700 -0.004 0.000 2.423 536 S HA -0.177 4.326 4.470 0.055 0.000 0.231 536 S C 1.936 176.416 174.600 -0.199 0.000 1.014 536 S CA 0.725 58.937 58.200 0.020 0.000 0.965 536 S CB -0.369 62.897 63.200 0.111 0.000 0.785 536 S HN 0.416 nan 8.310 nan 0.000 0.495 537 K N 0.737 121.036 120.400 -0.168 0.000 2.283 537 K HA 0.187 4.540 4.320 0.055 0.000 0.202 537 K C 1.082 177.571 176.600 -0.185 0.000 1.048 537 K CA 0.826 57.022 56.287 -0.152 0.000 0.948 537 K CB -0.261 32.200 32.500 -0.065 0.000 0.742 537 K HN 0.434 nan 8.250 nan 0.000 0.458 538 L N -0.235 120.772 121.223 -0.361 0.000 2.741 538 L HA 0.224 4.597 4.340 0.055 0.000 0.237 538 L C 0.803 176.878 176.870 -1.326 0.000 1.178 538 L CA -0.149 54.218 54.840 -0.787 0.000 0.973 538 L CB 0.336 42.230 42.059 -0.276 0.000 1.255 538 L HN 0.270 nan 8.230 nan 0.000 0.498 539 G N 0.643 108.937 108.800 -0.843 0.000 2.187 539 G HA2 -0.266 3.727 3.960 0.055 0.000 0.261 539 G HA3 -0.266 3.727 3.960 0.055 0.000 0.261 539 G C 0.280 175.031 174.900 -0.247 0.000 1.000 539 G CA 0.230 45.038 45.100 -0.486 0.000 0.718 539 G HN 0.177 nan 8.290 nan 0.000 0.519 540 V N 0.090 119.900 119.914 -0.174 0.000 2.508 540 V HA 0.328 4.481 4.120 0.055 0.000 0.281 540 V C 0.772 176.884 176.094 0.030 0.000 1.041 540 V CA -0.122 62.134 62.300 -0.074 0.000 1.016 540 V CB 1.469 33.254 31.823 -0.063 0.000 0.984 540 V HN 0.245 nan 8.190 nan 0.000 0.478 541 K N 5.023 125.317 120.400 -0.178 0.000 2.142 541 K HA 0.192 4.545 4.320 0.055 0.000 0.250 541 K C 0.359 176.817 176.600 -0.238 0.000 1.148 541 K CA -0.082 55.942 56.287 -0.439 0.000 1.040 541 K CB -0.472 31.491 32.500 -0.895 0.000 1.569 541 K HN 0.749 nan 8.250 nan 0.000 0.361 542 Y N 0.081 120.366 120.300 -0.026 0.000 2.490 542 Y HA 0.129 4.712 4.550 0.055 0.000 0.281 542 Y C -0.078 175.974 175.900 0.253 0.000 1.174 542 Y CA -0.938 57.209 58.100 0.079 0.000 1.295 542 Y CB -0.613 37.914 38.460 0.112 0.000 1.062 542 Y HN 0.318 nan 8.280 nan 0.000 0.522 543 Y N -2.010 118.197 120.300 -0.155 0.000 2.638 543 Y HA 0.754 5.337 4.550 0.055 0.000 0.339 543 Y C -1.802 174.079 175.900 -0.031 0.000 1.084 543 Y CA -2.539 55.540 58.100 -0.035 0.000 1.068 543 Y CB 1.332 39.521 38.460 -0.452 0.000 1.294 543 Y HN -0.232 nan 8.280 nan 0.000 0.480 544 V N 2.676 122.490 119.914 -0.167 0.000 2.709 544 V HA 0.598 4.751 4.120 0.055 0.000 0.308 544 V C -1.789 174.231 176.094 -0.124 0.000 1.062 544 V CA -0.885 61.157 62.300 -0.431 0.000 0.901 544 V CB 1.801 33.052 31.823 -0.953 0.000 1.003 544 V HN 0.880 nan 8.190 nan 0.000 0.425 545 L N 5.111 126.239 121.223 -0.158 0.000 2.265 545 L HA 0.596 4.969 4.340 0.055 0.000 0.289 545 L C 0.040 176.874 176.870 -0.059 0.000 1.033 545 L CA 0.159 54.965 54.840 -0.056 0.000 0.814 545 L CB 1.175 43.224 42.059 -0.017 0.000 1.203 545 L HN 0.806 nan 8.230 nan 0.000 0.423 546 D N 4.053 124.441 120.400 -0.020 0.000 2.801 546 D HA 0.174 4.847 4.640 0.055 0.000 0.232 546 D C -1.460 174.886 176.300 0.076 0.000 1.128 546 D CA 0.503 54.501 54.000 -0.003 0.000 1.003 546 D CB -0.472 40.329 40.800 0.001 0.000 1.110 546 D HN 0.460 nan 8.370 nan 0.000 0.477 547 Y N 0.054 120.263 120.300 -0.152 0.000 2.638 547 Y HA 0.363 4.946 4.550 0.055 0.000 0.334 547 Y C -1.700 174.057 175.900 -0.239 0.000 1.182 547 Y CA -1.104 56.869 58.100 -0.213 0.000 1.102 547 Y CB 1.065 39.361 38.460 -0.275 0.000 1.343 547 Y HN -0.069 nan 8.280 nan 0.000 0.463 548 R N 4.173 124.187 120.500 -0.811 0.000 2.532 548 R HA 0.464 4.837 4.340 0.055 0.000 0.297 548 R C -1.791 174.027 176.300 -0.803 0.000 0.984 548 R CA -0.827 54.940 56.100 -0.554 0.000 0.884 548 R CB 1.418 31.523 30.300 -0.325 0.000 1.182 548 R HN 0.527 nan 8.270 nan 0.000 0.442 549 F N 1.368 121.153 119.950 -0.275 0.000 2.443 549 F HA 0.100 4.660 4.527 0.055 0.000 0.353 549 F C 1.518 177.223 175.800 -0.159 0.000 1.101 549 F CA -0.257 57.678 58.000 -0.109 0.000 1.226 549 F CB 0.611 39.704 39.000 0.155 0.000 1.140 549 F HN 0.424 nan 8.300 nan 0.000 0.557 550 N N 2.853 121.475 118.700 -0.128 0.000 2.878 550 N HA 0.077 4.850 4.740 0.055 0.000 0.282 550 N C -1.732 173.440 175.510 -0.563 0.000 1.284 550 N CA 0.274 53.117 53.050 -0.345 0.000 1.053 550 N CB -0.583 37.654 38.487 -0.417 0.000 1.382 550 N HN 0.392 nan 8.380 nan 0.000 0.529 551 Y N -1.793 118.515 120.300 0.014 0.000 2.597 551 Y HA 0.292 4.875 4.550 0.055 0.000 0.340 551 Y C 0.819 176.654 175.900 -0.107 0.000 1.097 551 Y CA -1.165 56.922 58.100 -0.022 0.000 1.037 551 Y CB 1.317 39.781 38.460 0.007 0.000 1.305 551 Y HN -0.022 nan 8.280 nan 0.000 0.463 552 D N 0.243 120.644 120.400 0.002 0.000 2.137 552 D HA -0.052 4.621 4.640 0.055 0.000 0.202 552 D C -0.668 175.202 176.300 -0.717 0.000 0.970 552 D CA 1.887 55.676 54.000 -0.352 0.000 0.837 552 D CB 0.309 40.945 40.800 -0.273 0.000 0.981 552 D HN 0.343 nan 8.370 nan 0.000 0.475 553 Y N -0.908 119.423 120.300 0.052 0.000 2.544 553 Y HA 0.393 4.976 4.550 0.055 0.000 0.342 553 Y C -0.689 175.161 175.900 -0.082 0.000 1.062 553 Y CA -0.989 57.099 58.100 -0.020 0.000 1.023 553 Y CB 1.494 39.894 38.460 -0.100 0.000 1.308 553 Y HN -0.327 nan 8.280 nan 0.000 0.457 554 I N 3.897 124.490 120.570 0.038 0.000 2.362 554 I HA 0.443 4.646 4.170 0.055 0.000 0.289 554 I C -0.682 175.423 176.117 -0.020 0.000 0.994 554 I CA -0.372 60.837 61.300 -0.150 0.000 1.158 554 I CB 1.002 38.780 38.000 -0.370 0.000 1.315 554 I HN 0.374 nan 8.210 nan 0.000 0.451 555 I N 5.100 125.652 120.570 -0.031 0.000 2.465 555 I HA 0.590 4.793 4.170 0.055 0.000 0.291 555 I C 0.382 176.554 176.117 0.092 0.000 1.014 555 I CA -0.588 60.755 61.300 0.070 0.000 1.093 555 I CB 2.009 40.060 38.000 0.084 0.000 1.267 555 I HN 0.662 nan 8.210 nan 0.000 0.431 556 G N 6.660 115.557 108.800 0.162 0.000 2.379 556 G HA2 0.750 4.743 3.960 0.055 0.000 0.327 556 G HA3 0.750 4.743 3.960 0.055 0.000 0.327 556 G C -0.771 174.260 174.900 0.218 0.000 1.145 556 G CA -0.457 44.736 45.100 0.155 0.000 0.905 556 G HN 0.663 nan 8.290 nan 0.000 0.466 557 I N -1.043 119.651 120.570 0.207 0.000 2.892 557 I HA 0.883 5.086 4.170 0.055 0.000 0.306 557 I C -1.666 174.558 176.117 0.179 0.000 1.078 557 I CA -1.218 60.230 61.300 0.246 0.000 1.032 557 I CB 3.009 41.203 38.000 0.324 0.000 1.229 557 I HN 0.330 nan 8.210 nan 0.000 0.435 558 D N 2.748 123.261 120.400 0.187 0.000 2.936 558 D HA 0.525 5.198 4.640 0.055 0.000 0.238 558 D C -1.545 174.821 176.300 0.110 0.000 1.248 558 D CA -0.274 53.800 54.000 0.124 0.000 0.903 558 D CB 2.497 43.364 40.800 0.112 0.000 1.544 558 D HN 0.474 nan 8.370 nan 0.000 0.543 559 V N 2.430 122.348 119.914 0.005 0.000 2.328 559 V HA 0.830 4.983 4.120 0.055 0.000 0.278 559 V C -0.103 176.001 176.094 0.017 0.000 1.021 559 V CA -0.531 61.747 62.300 -0.037 0.000 0.838 559 V CB 0.861 32.535 31.823 -0.247 0.000 0.999 559 V HN 0.745 nan 8.190 nan 0.000 0.447 560 A N 6.468 129.322 122.820 0.056 0.000 2.667 560 A HA 0.753 5.106 4.320 0.055 0.000 0.291 560 A C -2.738 174.891 177.584 0.075 0.000 1.123 560 A CA -1.043 51.018 52.037 0.040 0.000 0.832 560 A CB 0.831 19.822 19.000 -0.016 0.000 1.396 560 A HN 0.634 nan 8.150 nan 0.000 0.401 564 R N 1.453 121.820 120.500 -0.221 0.000 2.771 564 R HA 0.353 4.726 4.340 0.055 0.000 0.274 564 R C -0.750 175.502 176.300 -0.081 0.000 0.987 564 R CA -1.214 54.814 56.100 -0.121 0.000 0.908 564 R CB 2.055 32.300 30.300 -0.091 0.000 1.213 564 R HN 0.600 nan 8.270 nan 0.000 0.468 565 S N 3.249 118.916 115.700 -0.054 0.000 3.631 565 S HA -0.129 4.374 4.470 0.055 0.000 0.431 565 S C 0.453 175.036 174.600 -0.029 0.000 1.132 565 S CA 0.866 59.044 58.200 -0.036 0.000 1.188 565 S CB -0.306 62.879 63.200 -0.025 0.000 0.805 565 S HN 0.613 nan 8.310 nan 0.000 0.526 566 E N 1.197 121.383 120.200 -0.024 0.000 2.291 566 E HA -0.210 4.173 4.350 0.055 0.000 0.181 566 E C 0.467 177.058 176.600 -0.014 0.000 1.480 566 E CA 1.007 57.400 56.400 -0.013 0.000 0.674 566 E CB -1.311 28.382 29.700 -0.011 0.000 1.108 566 E HN 0.912 nan 8.360 nan 0.000 0.357 567 G N 0.962 109.756 108.800 -0.009 0.000 3.791 567 G HA2 0.009 4.002 3.960 0.055 0.000 0.176 567 G HA3 0.009 4.002 3.960 0.055 0.000 0.176 567 G C 0.115 175.043 174.900 0.046 0.000 1.298 567 G CA 0.105 45.199 45.100 -0.011 0.000 0.928 567 G HN 0.614 nan 8.290 nan 0.000 0.546 568 Y N 1.583 121.775 120.300 -0.181 0.000 2.900 568 Y HA -0.216 4.367 4.550 0.055 0.000 0.132 568 Y C -0.590 175.201 175.900 -0.182 0.000 1.815 568 Y CA -0.598 57.364 58.100 -0.230 0.000 1.009 568 Y CB -1.068 37.291 38.460 -0.169 0.000 1.622 568 Y HN 0.231 nan 8.280 nan 0.000 0.332 569 I N 4.030 124.649 120.570 0.081 0.000 2.353 569 I HA 0.229 4.432 4.170 0.055 0.000 0.293 569 I C 1.375 177.510 176.117 0.030 0.000 0.992 569 I CA 0.436 61.725 61.300 -0.020 0.000 1.268 569 I CB 1.543 39.484 38.000 -0.098 0.000 1.387 569 I HN 0.640 nan 8.210 nan 0.000 0.478 570 G N 3.607 112.395 108.800 -0.020 0.000 2.939 570 G HA2 0.495 4.488 3.960 0.055 0.000 0.210 570 G HA3 0.495 4.488 3.960 0.055 0.000 0.210 570 G C 0.522 175.542 174.900 0.199 0.000 1.160 570 G CA 0.595 45.756 45.100 0.101 0.000 0.770 570 G HN 0.924 nan 8.290 nan 0.000 0.543 571 G N -0.847 107.986 108.800 0.055 0.000 2.404 571 G HA2 0.500 4.493 3.960 0.055 0.000 0.253 571 G HA3 0.500 4.493 3.960 0.055 0.000 0.253 571 G C -0.757 174.134 174.900 -0.015 0.000 1.253 571 G CA 0.463 45.632 45.100 0.116 0.000 0.917 571 G HN 1.132 nan 8.290 nan 0.000 0.480 572 S N -1.461 114.294 115.700 0.092 0.000 2.705 572 S HA 1.004 5.507 4.470 0.055 0.000 0.280 572 S C -0.657 174.018 174.600 0.125 0.000 1.174 572 S CA 0.336 58.580 58.200 0.073 0.000 0.823 572 S CB 1.602 64.908 63.200 0.178 0.000 1.162 572 S HN 2.611 nan 8.310 nan 0.000 0.487 573 A N 0.263 123.140 122.820 0.095 0.000 2.540 573 A HA 0.757 5.110 4.320 0.055 0.000 0.297 573 A C -1.114 176.612 177.584 0.237 0.000 1.056 573 A CA -0.606 51.543 52.037 0.187 0.000 0.700 573 A CB 1.189 20.284 19.000 0.159 0.000 1.280 573 A HN 1.176 nan 8.150 nan 0.000 0.398 577 D N -0.428 120.164 120.400 0.320 0.000 2.432 577 D HA 0.291 4.964 4.640 0.055 0.000 0.258 577 D C 0.910 177.294 176.300 0.139 0.000 1.146 577 D CA -0.127 54.001 54.000 0.213 0.000 1.015 577 D CB 0.905 41.821 40.800 0.194 0.000 1.107 577 D HN 0.412 nan 8.370 nan 0.000 0.529 578 S N -1.445 114.289 115.700 0.057 0.000 2.500 578 S HA -0.232 4.271 4.470 0.055 0.000 0.239 578 S C 1.354 176.106 174.600 0.254 0.000 0.989 578 S CA 0.818 59.125 58.200 0.178 0.000 0.951 578 S CB -0.537 62.696 63.200 0.054 0.000 0.759 578 S HN 0.595 nan 8.310 nan 0.000 0.523 579 Q N 0.493 120.368 119.800 0.126 0.000 2.360 579 Q HA 0.282 4.655 4.340 0.055 0.000 0.202 579 Q C 1.043 176.974 176.000 -0.116 0.000 0.915 579 Q CA 0.322 56.111 55.803 -0.024 0.000 0.943 579 Q CB -0.219 28.460 28.738 -0.098 0.000 1.064 579 Q HN 0.807 nan 8.270 nan 0.000 0.511 580 G N 0.550 109.461 108.800 0.185 0.000 2.136 580 G HA2 -0.265 3.728 3.960 0.055 0.000 0.242 580 G HA3 -0.265 3.728 3.960 0.055 0.000 0.242 580 G C -0.704 174.378 174.900 0.303 0.000 0.989 580 G CA 0.095 45.370 45.100 0.292 0.000 0.682 580 G HN 0.270 nan 8.290 nan 0.000 0.522 581 Y N -0.500 119.985 120.300 0.309 0.000 2.360 581 Y HA 0.641 5.224 4.550 0.055 0.000 0.337 581 Y C 0.808 176.607 175.900 -0.170 0.000 1.039 581 Y CA -1.964 56.199 58.100 0.106 0.000 1.109 581 Y CB 1.242 39.678 38.460 -0.040 0.000 1.201 581 Y HN 0.272 nan 8.280 nan 0.000 0.458 582 I N 4.586 124.929 120.570 -0.378 0.000 2.496 582 I HA 0.178 4.381 4.170 0.055 0.000 0.285 582 I C 0.533 176.480 176.117 -0.284 0.000 1.080 582 I CA 0.123 60.873 61.300 -0.917 0.000 1.404 582 I CB 0.490 37.890 38.000 -0.999 0.000 1.403 582 I HN 0.737 nan 8.210 nan 0.000 0.539 583 R N 5.582 125.983 120.500 -0.166 0.000 2.350 583 R HA 0.321 4.694 4.340 0.055 0.000 0.199 583 R C -0.412 175.915 176.300 0.044 0.000 0.876 583 R CA -0.131 55.959 56.100 -0.018 0.000 1.062 583 R CB 0.282 30.610 30.300 0.047 0.000 1.263 583 R HN 0.458 nan 8.270 nan 0.000 0.641 584 K N 1.352 121.795 120.400 0.071 0.000 2.464 584 K HA 0.523 4.876 4.320 0.055 0.000 0.253 584 K C -0.807 175.920 176.600 0.211 0.000 0.933 584 K CA -0.470 55.954 56.287 0.227 0.000 0.801 584 K CB 2.866 35.598 32.500 0.386 0.000 1.271 584 K HN -0.053 nan 8.250 nan 0.000 0.430 585 I N 2.170 122.821 120.570 0.135 0.000 2.447 585 I HA 0.365 4.568 4.170 0.055 0.000 0.287 585 I C -0.355 175.606 176.117 -0.260 0.000 1.023 585 I CA -1.214 60.015 61.300 -0.118 0.000 1.083 585 I CB 2.012 39.813 38.000 -0.331 0.000 1.245 585 I HN 0.307 nan 8.210 nan 0.000 0.434 586 V N 4.014 123.725 119.914 -0.337 0.000 3.007 586 V HA 0.758 4.911 4.120 0.055 0.000 0.311 586 V C -3.004 173.001 176.094 -0.147 0.000 1.120 586 V CA -2.431 59.611 62.300 -0.430 0.000 0.980 586 V CB 2.055 33.320 31.823 -0.929 0.000 1.033 586 V HN 0.385 nan 8.190 nan 0.000 0.429 587 P HA 0.601 nan 4.420 nan 0.000 0.282 587 P C -0.802 176.338 177.300 -0.268 0.000 1.259 587 P CA -0.414 62.657 63.100 -0.049 0.000 0.826 587 P CB 0.918 32.607 31.700 -0.019 0.000 1.064 588 I N 1.329 121.709 120.570 -0.316 0.000 2.460 588 I HA 0.264 4.467 4.170 0.055 0.000 0.277 588 I C 0.576 176.470 176.117 -0.371 0.000 1.057 588 I CA -0.804 60.206 61.300 -0.484 0.000 1.179 588 I CB 0.667 38.122 38.000 -0.909 0.000 1.329 588 I HN 0.223 nan 8.210 nan 0.000 0.478 589 K N 7.286 127.518 120.400 -0.281 0.000 2.401 589 K HA 0.434 4.787 4.320 0.055 0.000 0.278 589 K C -0.576 175.882 176.600 -0.237 0.000 1.018 589 K CA 0.103 56.267 56.287 -0.206 0.000 0.981 589 K CB 0.802 33.209 32.500 -0.155 0.000 0.933 589 K HN 0.655 nan 8.250 nan 0.000 0.477 590 I N -0.062 120.356 120.570 -0.253 0.000 2.827 590 I HA 0.507 4.710 4.170 0.055 0.000 0.298 590 I C 0.140 175.988 176.117 -0.449 0.000 1.235 590 I CA -1.227 59.898 61.300 -0.293 0.000 1.021 590 I CB 1.921 39.768 38.000 -0.255 0.000 1.259 590 I HN 0.616 nan 8.210 nan 0.000 0.427 591 G N 2.261 110.854 108.800 -0.345 0.000 2.611 591 G HA2 0.211 4.204 3.960 0.055 0.000 0.273 591 G HA3 0.211 4.204 3.960 0.055 0.000 0.273 591 G C -0.513 174.053 174.900 -0.557 0.000 1.305 591 G CA -0.487 44.402 45.100 -0.351 0.000 1.010 591 G HN 0.932 nan 8.290 nan 0.000 0.509 592 E N -0.352 119.675 120.200 -0.288 0.000 2.414 592 E HA 0.040 4.423 4.350 0.055 0.000 0.263 592 E C 0.043 176.623 176.600 -0.034 0.000 1.000 592 E CA 0.068 56.441 56.400 -0.045 0.000 0.914 592 E CB 0.298 30.107 29.700 0.181 0.000 0.948 592 E HN 0.382 nan 8.360 nan 0.000 0.444 593 Q N 3.769 123.610 119.800 0.067 0.000 2.304 593 Q HA 0.124 4.497 4.340 0.055 0.000 0.260 593 Q C 0.728 176.765 176.000 0.062 0.000 0.965 593 Q CA -0.664 55.171 55.803 0.053 0.000 0.898 593 Q CB 1.288 30.087 28.738 0.101 0.000 1.196 593 Q HN 0.451 nan 8.270 nan 0.000 0.402 594 R N 1.707 122.226 120.500 0.032 0.000 2.056 594 R HA 0.049 4.422 4.340 0.055 0.000 0.220 594 R C 1.016 177.337 176.300 0.035 0.000 1.187 594 R CA 0.999 57.118 56.100 0.031 0.000 0.932 594 R CB -1.004 29.305 30.300 0.016 0.000 0.821 594 R HN 0.754 nan 8.270 nan 0.000 0.449 595 G N 1.217 110.034 108.800 0.028 0.000 2.599 595 G HA2 0.058 4.051 3.960 0.055 0.000 0.264 595 G HA3 0.058 4.051 3.960 0.055 0.000 0.264 595 G C -0.283 174.638 174.900 0.035 0.000 1.200 595 G CA -0.427 44.691 45.100 0.029 0.000 0.896 595 G HN 0.131 nan 8.290 nan 0.000 0.536 596 E N 0.271 120.492 120.200 0.035 0.000 2.323 596 E HA 0.225 4.608 4.350 0.055 0.000 0.313 596 E C -0.022 176.598 176.600 0.033 0.000 1.236 596 E CA 0.333 56.755 56.400 0.037 0.000 1.333 596 E CB 0.008 29.729 29.700 0.035 0.000 1.138 596 E HN 0.295 nan 8.360 nan 0.000 0.492 597 S N -0.103 115.617 115.700 0.033 0.000 2.604 597 S HA 0.146 4.649 4.470 0.055 0.000 0.296 597 S C -0.854 173.756 174.600 0.018 0.000 1.097 597 S CA -0.754 57.459 58.200 0.022 0.000 0.883 597 S CB 0.898 64.106 63.200 0.014 0.000 1.081 597 S HN -0.006 nan 8.310 nan 0.000 0.448 598 V N 4.700 124.618 119.914 0.007 0.000 2.572 598 V HA 0.248 4.402 4.120 0.055 0.000 0.291 598 V C 1.028 177.110 176.094 -0.020 0.000 1.039 598 V CA -0.153 62.148 62.300 0.001 0.000 1.055 598 V CB 0.972 32.785 31.823 -0.017 0.000 0.969 598 V HN 0.897 nan 8.190 nan 0.000 0.482 602 E N 0.863 121.095 120.200 0.054 0.000 2.072 602 E HA -0.060 4.323 4.350 0.055 0.000 0.191 602 E C 1.668 178.324 176.600 0.093 0.000 0.985 602 E CA 0.821 57.267 56.400 0.078 0.000 0.801 602 E CB -0.003 29.699 29.700 0.002 0.000 0.750 602 E HN 0.230 nan 8.360 nan 0.000 0.452 603 F N 0.318 120.205 119.950 -0.105 0.000 2.026 603 F HA -0.269 4.291 4.527 0.055 0.000 0.296 603 F C 1.850 177.545 175.800 -0.175 0.000 1.133 603 F CA 1.843 59.704 58.000 -0.231 0.000 1.188 603 F CB -0.329 38.404 39.000 -0.446 0.000 0.968 603 F HN 0.028 nan 8.300 nan 0.000 0.476 604 F N 0.817 121.031 119.950 0.441 0.000 2.171 604 F HA -0.127 4.433 4.527 0.055 0.000 0.300 604 F C 2.434 178.353 175.800 0.199 0.000 1.090 604 F CA 1.689 59.883 58.000 0.323 0.000 1.293 604 F CB -1.081 38.116 39.000 0.328 0.000 1.013 604 F HN -0.051 nan 8.300 nan 0.000 0.486 605 K N 0.614 121.276 120.400 0.435 0.000 2.032 605 K HA -0.210 4.143 4.320 0.055 0.000 0.209 605 K C 1.237 177.927 176.600 0.149 0.000 1.048 605 K CA 1.198 57.715 56.287 0.384 0.000 0.927 605 K CB -0.172 32.596 32.500 0.447 0.000 0.712 605 K HN 0.109 nan 8.250 nan 0.000 0.441 609 D N 0.893 121.200 120.400 -0.156 0.000 2.144 609 D HA -0.148 4.525 4.640 0.055 0.000 0.199 609 D C 1.819 178.048 176.300 -0.119 0.000 0.984 609 D CA 1.666 55.613 54.000 -0.088 0.000 0.834 609 D CB 0.062 40.847 40.800 -0.024 0.000 0.955 609 D HN 0.310 nan 8.370 nan 0.000 0.465 610 K N 0.034 120.290 120.400 -0.241 0.000 2.057 610 K HA -0.075 4.278 4.320 0.055 0.000 0.206 610 K C 1.822 178.190 176.600 -0.386 0.000 1.050 610 K CA 0.759 56.817 56.287 -0.383 0.000 0.935 610 K CB -0.528 31.607 32.500 -0.609 0.000 0.715 610 K HN 0.004 nan 8.250 nan 0.000 0.439 611 F N 1.172 120.970 119.950 -0.253 0.000 2.171 611 F HA -0.070 4.490 4.527 0.055 0.000 0.300 611 F C 2.191 177.952 175.800 -0.066 0.000 1.090 611 F CA 1.442 59.328 58.000 -0.189 0.000 1.293 611 F CB -0.479 38.397 39.000 -0.206 0.000 1.013 611 F HN 0.090 nan 8.300 nan 0.000 0.486 612 K N 0.658 121.116 120.400 0.098 0.000 2.057 612 K HA -0.236 4.117 4.320 0.055 0.000 0.207 612 K C 2.126 178.793 176.600 0.112 0.000 1.049 612 K CA 1.733 58.063 56.287 0.073 0.000 0.931 612 K CB -0.316 32.199 32.500 0.025 0.000 0.714 612 K HN 0.275 nan 8.250 nan 0.000 0.440 613 E N -0.396 119.870 120.200 0.111 0.000 2.209 613 E HA -0.179 4.204 4.350 0.055 0.000 0.196 613 E C 0.974 177.779 176.600 0.342 0.000 0.993 613 E CA 0.988 57.495 56.400 0.177 0.000 0.819 613 E CB -0.074 29.721 29.700 0.159 0.000 0.745 613 E HN 0.460 nan 8.360 nan 0.000 0.477 614 F N 0.390 120.348 119.950 0.012 0.000 2.692 614 F HA 0.140 4.700 4.527 0.055 0.000 0.303 614 F C 0.401 176.222 175.800 0.035 0.000 1.114 614 F CA -0.501 57.516 58.000 0.029 0.000 1.361 614 F CB 0.408 39.444 39.000 0.060 0.000 1.063 614 F HN -0.010 nan 8.300 nan 0.000 0.550 615 N N 0.865 119.672 118.700 0.178 0.000 2.926 615 N HA -0.151 4.622 4.740 0.055 0.000 0.249 615 N C -0.905 174.650 175.510 0.074 0.000 1.100 615 N CA 0.438 53.546 53.050 0.096 0.000 0.777 615 N CB -1.335 37.187 38.487 0.059 0.000 1.112 615 N HN 0.103 nan 8.380 nan 0.000 0.552 616 I N 1.150 121.759 120.570 0.066 0.000 2.529 616 I HA 0.174 4.377 4.170 0.055 0.000 0.284 616 I C 0.031 176.115 176.117 -0.055 0.000 1.088 616 I CA -0.325 60.951 61.300 -0.040 0.000 1.062 616 I CB 1.786 39.658 38.000 -0.214 0.000 1.218 616 I HN -0.143 nan 8.210 nan 0.000 0.442 617 K N 6.319 126.704 120.400 -0.025 0.000 2.227 617 K HA 0.462 4.815 4.320 0.055 0.000 0.280 617 K C 0.829 177.408 176.600 -0.035 0.000 1.041 617 K CA -0.465 55.809 56.287 -0.021 0.000 0.905 617 K CB 2.318 34.834 32.500 0.026 0.000 1.068 617 K HN 0.501 nan 8.250 nan 0.000 0.470 618 L N 1.529 122.697 121.223 -0.091 0.000 2.202 618 L HA -0.065 4.308 4.340 0.055 0.000 0.205 618 L C 0.704 177.583 176.870 0.015 0.000 1.083 618 L CA 0.288 55.092 54.840 -0.060 0.000 0.790 618 L CB -0.176 41.807 42.059 -0.127 0.000 0.942 618 L HN 0.748 nan 8.230 nan 0.000 0.452 619 D N 1.783 122.184 120.400 0.003 0.000 2.531 619 D HA -0.172 4.501 4.640 0.055 0.000 0.239 619 D C 0.566 176.932 176.300 0.109 0.000 1.144 619 D CA 0.752 54.828 54.000 0.126 0.000 0.869 619 D CB 0.275 41.241 40.800 0.276 0.000 1.160 619 D HN 0.451 nan 8.370 nan 0.000 0.484 620 N N 0.139 118.901 118.700 0.104 0.000 3.031 620 N HA -0.186 4.587 4.740 0.055 0.000 0.232 620 N C -1.180 174.373 175.510 0.071 0.000 0.958 620 N CA 0.572 53.668 53.050 0.078 0.000 0.964 620 N CB -1.077 37.452 38.487 0.069 0.000 1.086 620 N HN 0.472 nan 8.380 nan 0.000 0.558 621 K N 0.956 121.407 120.400 0.086 0.000 2.306 621 K HA 0.453 4.806 4.320 0.055 0.000 0.236 621 K C -0.198 176.455 176.600 0.088 0.000 1.013 621 K CA -0.624 55.717 56.287 0.089 0.000 0.857 621 K CB 1.544 34.133 32.500 0.149 0.000 1.214 621 K HN 0.262 nan 8.250 nan 0.000 0.449 622 K N 2.226 122.677 120.400 0.086 0.000 2.265 622 K HA 0.435 4.788 4.320 0.055 0.000 0.267 622 K C -0.488 176.226 176.600 0.189 0.000 0.994 622 K CA -0.454 55.906 56.287 0.120 0.000 0.860 622 K CB 0.493 33.045 32.500 0.088 0.000 1.099 622 K HN 0.653 nan 8.250 nan 0.000 0.448 623 I N 1.386 122.060 120.570 0.174 0.000 2.828 623 I HA 0.476 4.679 4.170 0.055 0.000 0.302 623 I C -1.630 174.445 176.117 -0.071 0.000 1.101 623 I CA -1.441 59.916 61.300 0.094 0.000 1.031 623 I CB 1.806 39.843 38.000 0.062 0.000 1.231 623 I HN 0.425 nan 8.210 nan 0.000 0.427 624 L N 5.440 126.425 121.223 -0.397 0.000 2.280 624 L HA 0.602 4.975 4.340 0.055 0.000 0.287 624 L C -1.328 175.380 176.870 -0.269 0.000 1.023 624 L CA -0.312 54.182 54.840 -0.577 0.000 0.819 624 L CB 1.261 42.629 42.059 -1.152 0.000 1.212 624 L HN 0.739 nan 8.230 nan 0.000 0.420 625 L N 6.022 127.152 121.223 -0.154 0.000 2.322 625 L HA 0.691 5.064 4.340 0.055 0.000 0.281 625 L C -1.381 175.459 176.870 -0.051 0.000 1.014 625 L CA -0.272 54.530 54.840 -0.063 0.000 0.815 625 L CB 1.203 43.240 42.059 -0.036 0.000 1.247 625 L HN 0.652 nan 8.230 nan 0.000 0.421 626 L N 4.306 125.520 121.223 -0.014 0.000 2.393 626 L HA 0.708 5.082 4.340 0.055 0.000 0.260 626 L C -0.855 176.038 176.870 0.039 0.000 1.002 626 L CA -0.929 53.904 54.840 -0.011 0.000 0.818 626 L CB 2.362 44.388 42.059 -0.054 0.000 1.369 626 L HN 0.649 nan 8.230 nan 0.000 0.412 627 R N -1.244 119.273 120.500 0.028 0.000 2.831 627 R HA 0.452 4.825 4.340 0.055 0.000 0.266 627 R C -1.251 175.060 176.300 0.018 0.000 1.051 627 R CA -0.873 55.254 56.100 0.044 0.000 0.943 627 R CB 0.804 31.133 30.300 0.048 0.000 1.228 627 R HN 0.369 nan 8.270 nan 0.000 0.467 628 D N 0.294 120.708 120.400 0.023 0.000 2.402 628 D HA 0.419 5.092 4.640 0.055 0.000 0.235 628 D C 0.188 176.486 176.300 -0.002 0.000 1.226 628 D CA 1.709 55.708 54.000 -0.002 0.000 0.918 628 D CB 0.220 41.011 40.800 -0.015 0.000 1.043 628 D HN 0.827 nan 8.370 nan 0.000 0.506 629 G N 3.316 112.111 108.800 -0.009 0.000 2.342 629 G HA2 -0.143 3.850 3.960 0.055 0.000 0.220 629 G HA3 -0.143 3.850 3.960 0.055 0.000 0.220 629 G C -0.584 174.309 174.900 -0.012 0.000 1.243 629 G CA -0.763 44.333 45.100 -0.006 0.000 1.083 629 G HN 0.616 nan 8.290 nan 0.000 0.500 630 R N -0.085 120.410 120.500 -0.008 0.000 2.490 630 R HA 0.460 4.833 4.340 0.055 0.000 0.280 630 R C 0.406 176.704 176.300 -0.003 0.000 1.077 630 R CA -0.741 55.352 56.100 -0.012 0.000 1.065 630 R CB 0.160 30.454 30.300 -0.009 0.000 1.003 630 R HN 0.396 nan 8.270 nan 0.000 0.470 631 I N 4.771 125.338 120.570 -0.004 0.000 2.436 631 I HA -0.003 4.200 4.170 0.055 0.000 0.289 631 I C 1.132 177.257 176.117 0.012 0.000 1.083 631 I CA 0.258 61.563 61.300 0.009 0.000 1.372 631 I CB 0.276 38.278 38.000 0.003 0.000 1.408 631 I HN 0.734 nan 8.210 nan 0.000 0.516 632 T N 2.959 117.524 114.554 0.019 0.000 2.766 632 T HA 0.163 4.546 4.350 0.055 0.000 0.295 632 T C 1.294 176.012 174.700 0.029 0.000 1.024 632 T CA -0.565 61.547 62.100 0.019 0.000 1.018 632 T CB 1.008 69.884 68.868 0.013 0.000 1.002 632 T HN 0.472 nan 8.240 nan 0.000 0.532 633 N N 1.528 120.244 118.700 0.027 0.000 2.120 633 N HA -0.119 4.654 4.740 0.055 0.000 0.188 633 N C 1.624 177.158 175.510 0.041 0.000 1.024 633 N CA 1.126 54.195 53.050 0.031 0.000 0.852 633 N CB -0.727 37.778 38.487 0.030 0.000 1.003 633 N HN 0.571 nan 8.380 nan 0.000 0.424 634 N N 1.343 120.066 118.700 0.038 0.000 2.166 634 N HA -0.100 4.673 4.740 0.055 0.000 0.186 634 N C 1.459 177.026 175.510 0.096 0.000 1.019 634 N CA 0.771 53.849 53.050 0.046 0.000 0.856 634 N CB -0.180 38.319 38.487 0.020 0.000 0.993 634 N HN 0.498 nan 8.380 nan 0.000 0.426 635 E N 0.330 120.593 120.200 0.105 0.000 2.152 635 E HA -0.130 4.253 4.350 0.055 0.000 0.192 635 E C 1.662 178.358 176.600 0.160 0.000 0.983 635 E CA 0.522 57.059 56.400 0.228 0.000 0.818 635 E CB 0.045 29.849 29.700 0.174 0.000 0.758 635 E HN 0.486 nan 8.360 nan 0.000 0.467 636 E N 1.375 121.619 120.200 0.073 0.000 2.047 636 E HA -0.213 4.170 4.350 0.055 0.000 0.191 636 E C 1.781 178.407 176.600 0.044 0.000 0.987 636 E CA 0.965 57.382 56.400 0.027 0.000 0.799 636 E CB 0.155 29.868 29.700 0.021 0.000 0.752 636 E HN 0.223 nan 8.360 nan 0.000 0.449 637 E N -0.204 120.039 120.200 0.071 0.000 2.038 637 E HA -0.187 4.196 4.350 0.055 0.000 0.195 637 E C 2.121 178.804 176.600 0.139 0.000 1.000 637 E CA 1.007 57.458 56.400 0.084 0.000 0.803 637 E CB -0.373 29.366 29.700 0.064 0.000 0.750 637 E HN 0.442 nan 8.360 nan 0.000 0.448 638 G N 1.229 110.150 108.800 0.201 0.000 2.475 638 G HA2 -0.247 3.746 3.960 0.055 0.000 0.220 638 G HA3 -0.247 3.746 3.960 0.055 0.000 0.220 638 G C 1.553 176.599 174.900 0.244 0.000 1.125 638 G CA 0.591 45.920 45.100 0.381 0.000 0.755 638 G HN 0.098 nan 8.290 nan 0.000 0.565 639 L N -0.476 120.707 121.223 -0.068 0.000 2.240 639 L HA 0.060 4.433 4.340 0.055 0.000 0.211 639 L C 2.886 179.732 176.870 -0.040 0.000 1.106 639 L CA 0.743 55.422 54.840 -0.267 0.000 0.793 639 L CB -0.208 41.645 42.059 -0.344 0.000 0.927 639 L HN 0.189 nan 8.230 nan 0.000 0.446 640 K N -0.683 119.742 120.400 0.043 0.000 2.097 640 K HA -0.203 4.150 4.320 0.055 0.000 0.205 640 K C 2.097 178.770 176.600 0.122 0.000 1.050 640 K CA 1.304 57.631 56.287 0.067 0.000 0.938 640 K CB -0.254 32.290 32.500 0.073 0.000 0.718 640 K HN 0.114 nan 8.250 nan 0.000 0.442 641 Y N 1.999 122.325 120.300 0.044 0.000 2.070 641 Y HA -0.233 4.350 4.550 0.055 0.000 0.280 641 Y C 2.018 177.973 175.900 0.092 0.000 1.148 641 Y CA 1.429 59.569 58.100 0.068 0.000 1.125 641 Y CB -0.319 38.208 38.460 0.112 0.000 0.975 641 Y HN -0.003 nan 8.280 nan 0.000 0.492 642 I N -0.941 119.725 120.570 0.160 0.000 2.614 642 I HA -0.218 3.985 4.170 0.055 0.000 0.258 642 I C 2.378 178.595 176.117 0.166 0.000 1.189 642 I CA 1.640 63.065 61.300 0.208 0.000 1.462 642 I CB -0.353 37.813 38.000 0.276 0.000 1.092 642 I HN 0.352 nan 8.210 nan 0.000 0.442 643 S N 0.492 116.232 115.700 0.066 0.000 2.357 643 S HA -0.151 4.352 4.470 0.055 0.000 0.221 643 S C 1.169 175.782 174.600 0.021 0.000 1.031 643 S CA 0.630 58.859 58.200 0.049 0.000 0.982 643 S CB -0.200 63.014 63.200 0.023 0.000 0.853 643 S HN 0.601 nan 8.310 nan 0.000 0.458 647 D N 2.034 122.492 120.400 0.097 0.000 2.705 647 D HA -0.175 4.498 4.640 0.055 0.000 0.240 647 D C -0.220 176.136 176.300 0.093 0.000 1.137 647 D CA 0.858 54.900 54.000 0.069 0.000 0.677 647 D CB -0.902 39.931 40.800 0.054 0.000 1.049 647 D HN 0.275 nan 8.370 nan 0.000 0.427 648 I N 0.767 121.400 120.570 0.105 0.000 2.336 648 I HA 0.125 4.329 4.170 0.055 0.000 0.292 648 I C 0.976 177.128 176.117 0.060 0.000 0.991 648 I CA -0.506 60.847 61.300 0.089 0.000 1.227 648 I CB 1.594 39.651 38.000 0.095 0.000 1.366 648 I HN -0.104 nan 8.210 nan 0.000 0.466 649 E N 6.629 126.864 120.200 0.058 0.000 2.052 649 E HA 0.278 4.661 4.350 0.055 0.000 0.283 649 E C -1.278 175.356 176.600 0.057 0.000 1.071 649 E CA -0.480 55.950 56.400 0.051 0.000 0.851 649 E CB 0.878 30.609 29.700 0.051 0.000 1.066 649 E HN 0.365 nan 8.360 nan 0.000 0.396 650 V N 5.507 125.440 119.914 0.032 0.000 2.350 650 V HA 0.220 4.373 4.120 0.055 0.000 0.276 650 V C 0.037 176.142 176.094 0.017 0.000 1.028 650 V CA -0.753 61.553 62.300 0.010 0.000 0.860 650 V CB 1.331 33.128 31.823 -0.044 0.000 0.990 650 V HN 0.422 nan 8.190 nan 0.000 0.453 651 V N 4.498 124.433 119.914 0.034 0.000 2.435 651 V HA 0.735 4.888 4.120 0.055 0.000 0.290 651 V C 0.228 176.302 176.094 -0.032 0.000 1.030 651 V CA 0.052 62.379 62.300 0.045 0.000 0.881 651 V CB 1.731 33.664 31.823 0.182 0.000 0.983 651 V HN 1.003 nan 8.190 nan 0.000 0.445 655 V N 3.099 122.973 119.914 -0.067 0.000 2.284 655 V HA 0.442 4.595 4.120 0.055 0.000 0.274 655 V C 0.146 176.208 176.094 -0.053 0.000 1.023 655 V CA -0.455 61.800 62.300 -0.075 0.000 0.808 655 V CB 0.799 32.585 31.823 -0.062 0.000 1.035 655 V HN 0.399 nan 8.190 nan 0.000 0.445 656 I N 5.477 126.009 120.570 -0.063 0.000 2.330 656 I HA 0.367 4.570 4.170 0.055 0.000 0.289 656 I C 1.159 177.332 176.117 0.094 0.000 1.001 656 I CA -0.358 60.942 61.300 0.000 0.000 1.193 656 I CB 1.586 39.580 38.000 -0.010 0.000 1.345 656 I HN 0.637 nan 8.210 nan 0.000 0.461 657 K N 3.557 124.006 120.400 0.083 0.000 2.334 657 K HA 0.197 4.550 4.320 0.055 0.000 0.195 657 K C -0.001 176.623 176.600 0.040 0.000 1.045 657 K CA 0.221 56.559 56.287 0.085 0.000 1.004 657 K CB 0.341 32.850 32.500 0.014 0.000 0.837 657 K HN 0.391 nan 8.250 nan 0.000 0.510 658 N N 2.320 121.050 118.700 0.050 0.000 2.699 658 N HA 0.141 4.914 4.740 0.055 0.000 0.232 658 N C -1.404 174.132 175.510 0.045 0.000 1.027 658 N CA -0.321 52.724 53.050 -0.009 0.000 0.920 658 N CB 0.954 39.452 38.487 0.017 0.000 1.148 658 N HN 0.478 nan 8.380 nan 0.000 0.509 659 H N -1.140 117.939 119.070 0.015 0.000 3.008 659 H HA 0.498 5.087 4.556 0.055 0.000 0.354 659 H C -2.551 172.733 175.328 -0.073 0.000 1.252 659 H CA -1.284 54.773 56.048 0.016 0.000 1.117 659 H CB 1.360 31.162 29.762 0.067 0.000 1.857 659 H HN -0.006 nan 8.280 nan 0.000 0.547 660 P HA 0.099 nan 4.420 nan 0.000 0.261 660 P C -0.392 176.699 177.300 -0.348 0.000 1.268 660 P CA -0.000 62.886 63.100 -0.356 0.000 0.833 660 P CB 0.575 32.271 31.700 -0.006 0.000 1.231 661 V N 2.870 122.807 119.914 0.038 0.000 2.521 661 V HA 0.151 4.304 4.120 0.055 0.000 0.286 661 V C 0.719 176.754 176.094 -0.099 0.000 1.034 661 V CA 0.251 62.510 62.300 -0.068 0.000 1.045 661 V CB 0.161 31.831 31.823 -0.255 0.000 0.974 661 V HN 0.104 nan 8.190 nan 0.000 0.480 662 R N 3.299 123.666 120.500 -0.221 0.000 2.628 662 R HA 0.747 5.120 4.340 0.055 0.000 0.288 662 R C -0.630 175.376 176.300 -0.489 0.000 0.980 662 R CA -0.615 55.343 56.100 -0.237 0.000 0.891 662 R CB 2.163 32.377 30.300 -0.144 0.000 1.188 662 R HN 0.714 nan 8.270 nan 0.000 0.450 663 A N 3.029 125.668 122.820 -0.302 0.000 2.271 663 A HA 0.569 4.923 4.320 0.055 0.000 0.317 663 A C -0.688 176.773 177.584 -0.204 0.000 1.245 663 A CA -0.548 51.280 52.037 -0.348 0.000 0.857 663 A CB 0.153 19.080 19.000 -0.122 0.000 1.175 663 A HN 0.511 nan 8.150 nan 0.000 0.512 664 F N 2.110 122.029 119.950 -0.050 0.000 2.659 664 F HA 0.493 5.053 4.527 0.055 0.000 0.360 664 F C 0.955 176.737 175.800 -0.030 0.000 1.218 664 F CA -0.087 57.894 58.000 -0.031 0.000 1.317 664 F CB -0.560 38.416 39.000 -0.038 0.000 1.697 664 F HN 0.652 nan 8.300 nan 0.000 0.637 665 A N 1.178 124.085 122.820 0.145 0.000 2.566 665 A HA 0.592 4.945 4.320 0.055 0.000 0.297 665 A C -0.937 176.695 177.584 0.080 0.000 1.059 665 A CA -0.823 51.264 52.037 0.082 0.000 0.691 665 A CB 1.423 20.443 19.000 0.034 0.000 1.282 665 A HN 0.272 nan 8.150 nan 0.000 0.401 671 F N 0.187 120.236 119.950 0.164 0.000 2.693 671 F HA 0.579 5.138 4.527 0.055 0.000 0.309 671 F C -1.761 174.130 175.800 0.152 0.000 1.129 671 F CA -1.249 56.790 58.000 0.065 0.000 0.948 671 F CB 1.709 40.677 39.000 -0.053 0.000 1.315 671 F HN 0.698 nan 8.300 nan 0.000 0.447 672 N N 1.972 120.863 118.700 0.318 0.000 2.426 672 N HA 0.530 5.303 4.740 0.055 0.000 0.275 672 N C -2.018 173.700 175.510 0.348 0.000 1.019 672 N CA -0.199 52.999 53.050 0.246 0.000 0.941 672 N CB 1.677 40.280 38.487 0.194 0.000 1.123 672 N HN 0.873 nan 8.380 nan 0.000 0.486 673 L N 2.858 124.283 121.223 0.337 0.000 2.476 673 L HA 0.487 4.860 4.340 0.055 0.000 0.269 673 L C 0.760 177.811 176.870 0.302 0.000 0.965 673 L CA 0.163 55.160 54.840 0.263 0.000 0.845 673 L CB 1.361 43.543 42.059 0.205 0.000 1.259 673 L HN 0.726 nan 8.230 nan 0.000 0.403 674 G N 3.100 112.138 108.800 0.397 0.000 2.233 674 G HA2 0.009 4.002 3.960 0.055 0.000 0.270 674 G HA3 0.009 4.002 3.960 0.055 0.000 0.270 674 G C 1.092 176.067 174.900 0.125 0.000 1.011 674 G CA 0.909 46.153 45.100 0.240 0.000 0.762 674 G HN 2.235 nan 8.290 nan 0.000 0.511 675 G N -2.486 106.380 108.800 0.110 0.000 2.195 675 G HA2 0.244 4.237 3.960 0.055 0.000 0.246 675 G HA3 0.244 4.237 3.960 0.055 0.000 0.246 675 G C 0.613 175.511 174.900 -0.003 0.000 0.984 675 G CA 1.164 46.284 45.100 0.033 0.000 0.633 675 G HN 2.303 nan 8.290 nan 0.000 0.525 676 A N 0.231 123.049 122.820 -0.005 0.000 2.330 676 A HA 0.840 5.193 4.320 0.055 0.000 0.329 676 A C -0.240 177.224 177.584 -0.199 0.000 1.135 676 A CA -0.688 51.256 52.037 -0.156 0.000 0.817 676 A CB 1.060 19.892 19.000 -0.281 0.000 1.269 676 A HN 0.523 nan 8.150 nan 0.000 0.469 677 I N 1.060 121.431 120.570 -0.331 0.000 2.377 677 I HA 0.291 4.494 4.170 0.055 0.000 0.293 677 I C -1.123 174.637 176.117 -0.595 0.000 0.987 677 I CA -0.406 60.711 61.300 -0.306 0.000 1.185 677 I CB 0.612 38.498 38.000 -0.189 0.000 1.341 677 I HN 0.562 nan 8.210 nan 0.000 0.455 678 Y N 6.231 126.164 120.300 -0.612 0.000 2.331 678 Y HA 0.531 5.113 4.550 0.055 0.000 0.338 678 Y C -0.068 175.531 175.900 -0.501 0.000 0.992 678 Y CA -0.793 56.883 58.100 -0.706 0.000 1.121 678 Y CB 1.889 39.625 38.460 -1.206 0.000 1.184 678 Y HN 0.426 nan 8.280 nan 0.000 0.469 679 L N 5.003 126.135 121.223 -0.150 0.000 2.381 679 L HA 0.665 5.038 4.340 0.055 0.000 0.274 679 L C -1.701 175.180 176.870 0.019 0.000 0.988 679 L CA -0.647 54.180 54.840 -0.022 0.000 0.824 679 L CB 1.038 43.074 42.059 -0.038 0.000 1.263 679 L HN 0.481 nan 8.230 nan 0.000 0.410 680 I N 7.919 128.529 120.570 0.066 0.000 2.307 680 I HA 0.422 4.625 4.170 0.055 0.000 0.287 680 I C -1.637 174.495 176.117 0.025 0.000 1.054 680 I CA -1.709 59.613 61.300 0.038 0.000 1.218 680 I CB 1.335 39.385 38.000 0.084 0.000 1.398 680 I HN 0.550 nan 8.210 nan 0.000 0.475 681 P HA -0.086 nan 4.420 nan 0.000 0.218 681 P C -0.842 176.438 177.300 -0.034 0.000 1.149 681 P CA 1.357 64.399 63.100 -0.096 0.000 0.817 681 P CB 0.079 31.511 31.700 -0.446 0.000 0.785 682 H N -4.018 115.133 119.070 0.135 0.000 3.014 682 H HA 0.481 5.070 4.556 0.056 0.000 0.337 682 H C -0.589 174.787 175.328 0.080 0.000 1.320 682 H CA -1.651 54.462 56.048 0.108 0.000 1.128 682 H CB 0.466 30.261 29.762 0.054 0.000 1.862 682 H HN -0.176 nan 8.280 nan 0.000 0.536 683 K N 1.302 121.849 120.400 0.245 0.000 2.087 683 K HA 0.518 4.871 4.320 0.055 0.000 0.255 683 K C -0.715 175.968 176.600 0.138 0.000 0.988 683 K CA -0.910 55.473 56.287 0.160 0.000 0.915 683 K CB 1.380 33.940 32.500 0.101 0.000 1.043 683 K HN 0.505 nan 8.250 nan 0.000 0.457 684 L N 3.002 124.286 121.223 0.101 0.000 2.385 684 L HA 0.137 4.510 4.340 0.055 0.000 0.281 684 L C 0.892 177.779 176.870 0.028 0.000 1.106 684 L CA -0.214 54.663 54.840 0.061 0.000 0.856 684 L CB 0.406 42.500 42.059 0.058 0.000 1.186 684 L HN 0.756 nan 8.230 nan 0.000 0.453 685 K N 1.744 122.145 120.400 0.001 0.000 2.284 685 K HA -0.020 4.333 4.320 0.055 0.000 0.198 685 K C 1.327 177.909 176.600 -0.030 0.000 1.048 685 K CA 0.530 56.804 56.287 -0.021 0.000 0.987 685 K CB 0.491 32.962 32.500 -0.049 0.000 0.800 685 K HN 0.612 nan 8.250 nan 0.000 0.486 686 Q N 0.134 119.921 119.800 -0.022 0.000 2.618 686 Q HA 0.240 4.613 4.340 0.055 0.000 0.209 686 Q C -0.097 175.899 176.000 -0.007 0.000 0.797 686 Q CA 0.002 55.793 55.803 -0.020 0.000 0.888 686 Q CB 0.521 29.246 28.738 -0.021 0.000 1.244 686 Q HN 0.168 nan 8.270 nan 0.000 0.626 687 A N 1.911 124.731 122.820 -0.001 0.000 2.448 687 A HA 0.142 4.495 4.320 0.055 0.000 0.239 687 A C -0.126 177.463 177.584 0.008 0.000 1.080 687 A CA 0.096 52.135 52.037 0.004 0.000 0.779 687 A CB 0.219 19.223 19.000 0.006 0.000 1.026 687 A HN 0.366 nan 8.150 nan 0.000 0.499 688 K N -0.002 120.401 120.400 0.005 0.000 2.126 688 K HA 0.539 4.892 4.320 0.055 0.000 0.257 688 K C 0.360 176.967 176.600 0.010 0.000 1.007 688 K CA 0.566 56.856 56.287 0.005 0.000 0.928 688 K CB 0.615 33.114 32.500 -0.002 0.000 1.013 688 K HN 1.663 nan 8.250 nan 0.000 0.473 689 G N 0.439 109.249 108.800 0.016 0.000 2.343 689 G HA2 -0.051 3.942 3.960 0.055 0.000 0.465 689 G HA3 -0.051 3.942 3.960 0.055 0.000 0.465 689 G C -1.340 173.596 174.900 0.060 0.000 1.282 689 G CA -0.890 44.229 45.100 0.032 0.000 0.996 689 G HN 0.545 nan 8.290 nan 0.000 0.521 690 T N 2.680 117.288 114.554 0.090 0.000 2.807 690 T HA 0.670 5.053 4.350 0.055 0.000 0.279 690 T C -2.440 172.331 174.700 0.118 0.000 0.993 690 T CA -0.667 61.510 62.100 0.128 0.000 0.970 690 T CB 1.839 70.826 68.868 0.198 0.000 0.950 690 T HN 0.493 nan 8.240 nan 0.000 0.441 691 P HA 0.174 nan 4.420 nan 0.000 0.265 691 P C -0.687 176.670 177.300 0.096 0.000 1.187 691 P CA -0.078 63.086 63.100 0.107 0.000 0.766 691 P CB 0.301 32.066 31.700 0.107 0.000 0.820 692 I N 5.155 125.773 120.570 0.080 0.000 2.307 692 I HA 0.267 4.470 4.170 0.055 0.000 0.289 692 I C -2.110 174.065 176.117 0.097 0.000 1.021 692 I CA -2.528 58.808 61.300 0.059 0.000 1.224 692 I CB 1.368 39.380 38.000 0.019 0.000 1.376 692 I HN 0.147 nan 8.210 nan 0.000 0.470 693 P HA 0.252 nan 4.420 nan 0.000 0.272 693 P C -0.468 177.003 177.300 0.285 0.000 1.223 693 P CA -0.174 63.055 63.100 0.215 0.000 0.784 693 P CB 0.792 32.660 31.700 0.280 0.000 0.923 694 I N 1.566 122.182 120.570 0.077 0.000 2.353 694 I HA 0.255 4.458 4.170 0.055 0.000 0.293 694 I C 0.849 176.850 176.117 -0.193 0.000 0.992 694 I CA -0.629 60.675 61.300 0.006 0.000 1.268 694 I CB 0.880 38.846 38.000 -0.057 0.000 1.387 694 I HN 0.196 nan 8.210 nan 0.000 0.478 695 K N 7.619 127.827 120.400 -0.319 0.000 2.234 695 K HA 0.562 4.915 4.320 0.055 0.000 0.277 695 K C -1.369 174.972 176.600 -0.432 0.000 1.038 695 K CA -0.498 55.378 56.287 -0.685 0.000 0.888 695 K CB 0.804 32.790 32.500 -0.856 0.000 1.091 695 K HN 0.557 nan 8.250 nan 0.000 0.467 696 L N 3.722 124.675 121.223 -0.450 0.000 2.322 696 L HA 0.757 5.130 4.340 0.055 0.000 0.281 696 L C -0.431 176.282 176.870 -0.263 0.000 1.014 696 L CA -0.671 54.001 54.840 -0.279 0.000 0.815 696 L CB 1.789 43.715 42.059 -0.223 0.000 1.247 696 L HN 0.830 nan 8.230 nan 0.000 0.421 697 A N 2.171 124.883 122.820 -0.181 0.000 2.586 697 A HA 0.585 4.938 4.320 0.055 0.000 0.290 697 A C -0.678 176.852 177.584 -0.090 0.000 1.086 697 A CA -0.805 51.148 52.037 -0.140 0.000 0.665 697 A CB 1.146 20.054 19.000 -0.153 0.000 1.279 697 A HN 0.665 nan 8.150 nan 0.000 0.423 698 K N -0.327 120.032 120.400 -0.069 0.000 3.278 698 K HA -0.189 4.164 4.320 0.055 0.000 0.270 698 K C 0.085 176.661 176.600 -0.040 0.000 0.955 698 K CA 1.403 57.662 56.287 -0.047 0.000 0.723 698 K CB -1.198 31.278 32.500 -0.041 0.000 1.382 698 K HN 0.685 nan 8.250 nan 0.000 0.461 699 K N 1.700 122.076 120.400 -0.040 0.000 2.319 699 K HA 0.172 4.525 4.320 0.055 0.000 0.265 699 K C 0.242 176.832 176.600 -0.017 0.000 1.000 699 K CA -0.096 56.175 56.287 -0.028 0.000 0.943 699 K CB 0.588 33.074 32.500 -0.024 0.000 0.950 699 K HN 0.425 nan 8.250 nan 0.000 0.485 700 R N 1.980 122.475 120.500 -0.009 0.000 2.690 700 R HA 0.450 4.823 4.340 0.055 0.000 0.269 700 R C -1.802 174.501 176.300 0.005 0.000 1.037 700 R CA -1.030 55.068 56.100 -0.004 0.000 0.877 700 R CB 0.564 30.859 30.300 -0.008 0.000 1.255 700 R HN 0.497 nan 8.270 nan 0.000 0.467 701 I N 1.875 122.450 120.570 0.009 0.000 2.474 701 I HA 0.510 4.713 4.170 0.055 0.000 0.294 701 I C -1.236 174.887 176.117 0.010 0.000 1.005 701 I CA -1.388 59.923 61.300 0.017 0.000 1.113 701 I CB 1.831 39.844 38.000 0.022 0.000 1.289 701 I HN 0.670 nan 8.210 nan 0.000 0.436 702 I N 7.633 128.208 120.570 0.010 0.000 2.411 702 I HA 0.413 4.616 4.170 0.055 0.000 0.284 702 I C -0.662 175.463 176.117 0.013 0.000 1.012 702 I CA -0.679 60.625 61.300 0.005 0.000 1.119 702 I CB 0.953 38.947 38.000 -0.009 0.000 1.261 702 I HN 0.434 nan 8.210 nan 0.000 0.448 703 K N 5.294 125.702 120.400 0.013 0.000 2.324 703 K HA 0.422 4.775 4.320 0.055 0.000 0.253 703 K C -0.194 176.413 176.600 0.012 0.000 0.932 703 K CA -0.936 55.360 56.287 0.015 0.000 0.799 703 K CB 1.488 33.996 32.500 0.013 0.000 1.154 703 K HN 0.477 nan 8.250 nan 0.000 0.425 704 N N 1.436 120.143 118.700 0.012 0.000 2.708 704 N HA -0.249 4.524 4.740 0.055 0.000 0.251 704 N C 0.583 176.097 175.510 0.007 0.000 1.017 704 N CA 1.361 54.415 53.050 0.006 0.000 0.742 704 N CB -1.062 37.427 38.487 0.004 0.000 0.943 704 N HN 1.159 nan 8.380 nan 0.000 0.539 705 G N -1.680 107.127 108.800 0.012 0.000 2.162 705 G HA2 -0.345 3.648 3.960 0.055 0.000 0.260 705 G HA3 -0.345 3.648 3.960 0.055 0.000 0.260 705 G C -0.029 174.885 174.900 0.023 0.000 0.976 705 G CA 0.802 45.915 45.100 0.021 0.000 0.655 705 G HN 0.388 nan 8.290 nan 0.000 0.533 706 K N 0.289 120.699 120.400 0.016 0.000 2.221 706 K HA 0.655 5.008 4.320 0.055 0.000 0.258 706 K C 0.008 176.615 176.600 0.011 0.000 0.944 706 K CA -0.697 55.599 56.287 0.014 0.000 0.823 706 K CB 2.349 34.856 32.500 0.011 0.000 1.113 706 K HN 0.093 nan 8.250 nan 0.000 0.431 707 V N 2.867 122.787 119.914 0.011 0.000 2.407 707 V HA 0.264 4.417 4.120 0.055 0.000 0.278 707 V C -0.048 176.050 176.094 0.006 0.000 1.037 707 V CA -0.591 61.713 62.300 0.007 0.000 0.900 707 V CB 1.093 32.921 31.823 0.008 0.000 0.983 707 V HN 0.622 nan 8.190 nan 0.000 0.459 708 E N 4.131 124.334 120.200 0.004 0.000 2.267 708 E HA 0.311 4.694 4.350 0.055 0.000 0.248 708 E C -0.929 175.671 176.600 0.000 0.000 0.899 708 E CA -0.718 55.684 56.400 0.002 0.000 0.764 708 E CB 1.562 31.264 29.700 0.003 0.000 1.227 708 E HN 0.561 nan 8.360 nan 0.000 0.421 709 K N 2.384 122.783 120.400 -0.002 0.000 2.491 709 K HA -0.045 4.308 4.320 0.055 0.000 0.279 709 K C 0.116 176.712 176.600 -0.006 0.000 1.026 709 K CA 0.493 56.777 56.287 -0.006 0.000 1.070 709 K CB 0.387 32.883 32.500 -0.007 0.000 0.887 709 K HN 0.328 nan 8.250 nan 0.000 0.481 710 Q N 0.579 120.374 119.800 -0.007 0.000 2.699 710 Q HA 0.420 4.793 4.340 0.055 0.000 0.240 710 Q C -0.962 175.030 176.000 -0.012 0.000 1.033 710 Q CA -0.491 55.308 55.803 -0.007 0.000 0.938 710 Q CB 1.939 30.677 28.738 -0.000 0.000 1.312 710 Q HN 0.546 nan 8.270 nan 0.000 0.507 711 S N -0.187 115.505 115.700 -0.012 0.000 2.513 711 S HA 0.573 5.076 4.470 0.055 0.000 0.299 711 S C -0.643 173.946 174.600 -0.019 0.000 1.087 711 S CA -0.640 57.550 58.200 -0.017 0.000 1.012 711 S CB 0.725 63.916 63.200 -0.014 0.000 1.044 711 S HN 0.467 nan 8.310 nan 0.000 0.485 712 I N 3.058 123.610 120.570 -0.030 0.000 2.529 712 I HA 0.217 4.420 4.170 0.055 0.000 0.284 712 I C 1.027 177.122 176.117 -0.038 0.000 1.082 712 I CA 0.023 61.299 61.300 -0.040 0.000 1.406 712 I CB 0.838 38.798 38.000 -0.067 0.000 1.405 712 I HN 0.667 nan 8.210 nan 0.000 0.548 713 T N 2.239 116.768 114.554 -0.041 0.000 2.940 713 T HA 0.426 4.809 4.350 0.055 0.000 0.288 713 T C 0.986 175.634 174.700 -0.086 0.000 1.045 713 T CA -0.890 61.184 62.100 -0.043 0.000 1.018 713 T CB 1.681 70.532 68.868 -0.028 0.000 1.151 713 T HN 0.514 nan 8.240 nan 0.000 0.529 714 R N -0.206 120.245 120.500 -0.083 0.000 2.096 714 R HA -0.085 4.288 4.340 0.055 0.000 0.235 714 R C 2.506 178.722 176.300 -0.141 0.000 1.127 714 R CA 1.057 57.064 56.100 -0.155 0.000 0.968 714 R CB -0.244 30.019 30.300 -0.062 0.000 0.861 714 R HN 0.561 nan 8.270 nan 0.000 0.440 715 Q N 0.854 120.615 119.800 -0.064 0.000 2.084 715 Q HA -0.159 4.214 4.340 0.055 0.000 0.202 715 Q C 1.478 177.486 176.000 0.013 0.000 0.978 715 Q CA 1.527 57.320 55.803 -0.017 0.000 0.844 715 Q CB -0.150 28.583 28.738 -0.008 0.000 0.898 715 Q HN 0.321 nan 8.270 nan 0.000 0.426 716 D N -0.460 119.938 120.400 -0.003 0.000 2.117 716 D HA -0.119 4.554 4.640 0.055 0.000 0.197 716 D C 1.999 178.287 176.300 -0.020 0.000 0.987 716 D CA 0.886 54.903 54.000 0.028 0.000 0.829 716 D CB -0.053 40.748 40.800 0.002 0.000 0.961 716 D HN 0.076 nan 8.370 nan 0.000 0.460 717 V N 1.350 121.185 119.914 -0.133 0.000 2.427 717 V HA -0.168 3.985 4.120 0.055 0.000 0.248 717 V C 2.553 178.572 176.094 -0.124 0.000 1.051 717 V CA 0.855 63.025 62.300 -0.216 0.000 1.048 717 V CB -0.316 31.187 31.823 -0.534 0.000 0.666 717 V HN 0.219 nan 8.190 nan 0.000 0.456 718 L N -0.284 120.875 121.223 -0.108 0.000 2.056 718 L HA -0.171 4.202 4.340 0.055 0.000 0.207 718 L C 2.421 179.324 176.870 0.055 0.000 1.078 718 L CA 1.813 56.622 54.840 -0.053 0.000 0.749 718 L CB -0.429 41.598 42.059 -0.053 0.000 0.901 718 L HN 0.375 nan 8.230 nan 0.000 0.433 719 D N 0.179 120.671 120.400 0.153 0.000 2.087 719 D HA -0.218 4.455 4.640 0.055 0.000 0.192 719 D C 2.244 178.705 176.300 0.269 0.000 0.993 719 D CA 1.249 55.463 54.000 0.356 0.000 0.828 719 D CB -0.144 40.939 40.800 0.471 0.000 0.968 719 D HN 0.223 nan 8.370 nan 0.000 0.448 720 I N 0.793 121.439 120.570 0.128 0.000 2.151 720 I HA -0.259 3.944 4.170 0.055 0.000 0.243 720 I C 2.404 178.540 176.117 0.032 0.000 1.080 720 I CA 0.858 62.181 61.300 0.039 0.000 1.339 720 I CB -1.180 36.812 38.000 -0.014 0.000 1.039 720 I HN -0.031 nan 8.210 nan 0.000 0.409 721 F N 1.937 121.837 119.950 -0.084 0.000 2.065 721 F HA -0.266 4.294 4.527 0.054 0.000 0.298 721 F C 2.457 178.200 175.800 -0.094 0.000 1.112 721 F CA 1.749 59.686 58.000 -0.105 0.000 1.212 721 F CB -0.227 38.693 39.000 -0.133 0.000 0.975 721 F HN -0.089 nan 8.300 nan 0.000 0.476 722 I N 0.598 121.115 120.570 -0.088 0.000 2.179 722 I HA -0.296 3.907 4.170 0.055 0.000 0.242 722 I C 2.554 178.599 176.117 -0.120 0.000 1.088 722 I CA 1.386 62.574 61.300 -0.187 0.000 1.357 722 I CB -1.677 36.220 38.000 -0.172 0.000 1.051 722 I HN 0.261 nan 8.210 nan 0.000 0.409 723 L N 0.237 121.463 121.223 0.006 0.000 2.187 723 L HA -0.216 4.157 4.340 0.055 0.000 0.213 723 L C 2.369 179.131 176.870 -0.180 0.000 1.100 723 L CA 1.364 56.131 54.840 -0.121 0.000 0.765 723 L CB -0.965 40.990 42.059 -0.174 0.000 0.904 723 L HN 0.271 nan 8.230 nan 0.000 0.437 724 T N -1.423 113.004 114.554 -0.211 0.000 3.023 724 T HA -0.019 4.364 4.350 0.055 0.000 0.266 724 T C 1.781 176.343 174.700 -0.230 0.000 1.093 724 T CA 0.528 62.500 62.100 -0.213 0.000 1.129 724 T CB -0.023 68.708 68.868 -0.228 0.000 0.899 724 T HN 0.135 nan 8.240 nan 0.000 0.491 725 R N 1.038 121.340 120.500 -0.330 0.000 2.313 725 R HA 0.243 4.616 4.340 0.055 0.000 0.199 725 R C 0.280 176.423 176.300 -0.261 0.000 0.958 725 R CA 0.047 55.966 56.100 -0.301 0.000 1.047 725 R CB -0.619 29.434 30.300 -0.412 0.000 0.955 725 R HN 0.401 nan 8.270 nan 0.000 0.481 726 L N 3.315 124.400 121.223 -0.229 0.000 2.422 726 L HA 0.136 4.509 4.340 0.055 0.000 0.256 726 L C 0.960 177.751 176.870 -0.132 0.000 1.202 726 L CA -0.276 54.383 54.840 -0.301 0.000 1.119 726 L CB 0.063 42.041 42.059 -0.135 0.000 1.383 726 L HN 0.084 nan 8.230 nan 0.000 0.411 727 N N 0.942 119.551 118.700 -0.152 0.000 2.236 727 N HA -0.116 4.657 4.740 0.055 0.000 0.196 727 N C 0.150 175.816 175.510 0.261 0.000 1.114 727 N CA -0.461 52.633 53.050 0.073 0.000 0.859 727 N CB 0.047 38.522 38.487 -0.019 0.000 0.982 727 N HN 0.366 nan 8.380 nan 0.000 0.493 728 Y N 0.896 121.276 120.300 0.134 0.000 3.037 728 Y HA -0.169 4.414 4.550 0.055 0.000 0.204 728 Y C 1.611 177.629 175.900 0.198 0.000 1.275 728 Y CA 0.818 59.039 58.100 0.202 0.000 1.066 728 Y CB -1.908 36.666 38.460 0.190 0.000 1.305 728 Y HN 0.432 nan 8.280 nan 0.000 0.499 729 G N -1.075 107.899 108.800 0.291 0.000 2.212 729 G HA2 -0.378 3.615 3.960 0.055 0.000 0.266 729 G HA3 -0.378 3.615 3.960 0.055 0.000 0.266 729 G C 0.438 175.401 174.900 0.105 0.000 0.978 729 G CA 0.389 45.637 45.100 0.247 0.000 0.632 729 G HN 1.114 nan 8.290 nan 0.000 0.537 730 S N 1.213 116.988 115.700 0.126 0.000 2.711 730 S HA 0.338 4.841 4.470 0.055 0.000 0.335 730 S C 1.185 175.810 174.600 0.043 0.000 1.175 730 S CA -0.235 58.014 58.200 0.081 0.000 1.372 730 S CB -0.811 62.444 63.200 0.092 0.000 1.337 730 S HN 0.428 nan 8.310 nan 0.000 0.572 731 I N 4.018 124.602 120.570 0.024 0.000 2.932 731 I HA -0.063 4.141 4.170 0.055 0.000 0.295 731 I C 1.047 177.201 176.117 0.062 0.000 1.227 731 I CA 0.172 61.501 61.300 0.048 0.000 1.429 731 I CB 0.155 38.181 38.000 0.044 0.000 1.339 731 I HN 0.679 nan 8.210 nan 0.000 0.589 732 S N 3.446 119.199 115.700 0.089 0.000 3.829 732 S HA -0.124 4.379 4.470 0.055 0.000 0.461 732 S C 0.207 174.798 174.600 -0.014 0.000 0.849 732 S CA 0.112 58.334 58.200 0.037 0.000 1.323 732 S CB -1.062 62.157 63.200 0.032 0.000 0.872 732 S HN 0.978 nan 8.310 nan 0.000 0.613 733 A N 2.174 124.955 122.820 -0.065 0.000 2.507 733 A HA 0.372 4.725 4.320 0.055 0.000 0.281 733 A C 0.649 178.131 177.584 -0.171 0.000 1.154 733 A CA 0.422 52.361 52.037 -0.164 0.000 0.828 733 A CB 0.053 18.855 19.000 -0.330 0.000 1.069 733 A HN 0.553 nan 8.150 nan 0.000 0.522 737 L N 1.548 122.745 121.223 -0.043 0.000 2.341 737 L HA 0.648 5.021 4.340 0.055 0.000 0.267 737 L C -2.357 174.468 176.870 -0.075 0.000 1.009 737 L CA -2.389 52.425 54.840 -0.044 0.000 0.819 737 L CB 2.026 44.082 42.059 -0.005 0.000 1.323 737 L HN -0.145 nan 8.230 nan 0.000 0.425 738 P HA 0.004 nan 4.420 nan 0.000 0.264 738 P C 0.191 177.425 177.300 -0.109 0.000 1.193 738 P CA 0.122 63.150 63.100 -0.120 0.000 0.763 738 P CB 0.945 32.569 31.700 -0.126 0.000 0.810 739 A N 6.724 129.461 122.820 -0.137 0.000 1.915 739 A HA -0.199 4.154 4.320 0.055 0.000 0.220 739 A C -0.417 177.228 177.584 0.101 0.000 1.198 739 A CA 2.117 54.153 52.037 -0.003 0.000 0.647 739 A CB -2.480 16.597 19.000 0.128 0.000 0.825 739 A HN 0.491 nan 8.150 nan 0.000 0.456 740 P HA -0.122 nan 4.420 nan 0.000 0.215 740 P C 1.625 179.033 177.300 0.179 0.000 1.157 740 P CA 1.613 64.754 63.100 0.070 0.000 0.874 740 P CB -0.149 31.458 31.700 -0.155 0.000 0.790 741 V N -0.865 119.091 119.914 0.070 0.000 2.358 741 V HA -0.262 3.891 4.120 0.055 0.000 0.246 741 V C 2.491 178.647 176.094 0.103 0.000 1.047 741 V CA 1.801 64.153 62.300 0.087 0.000 1.035 741 V CB -1.469 30.372 31.823 0.030 0.000 0.658 741 V HN 0.282 nan 8.190 nan 0.000 0.452 742 H N -0.540 118.494 119.070 -0.061 0.000 2.290 742 H HA -0.231 4.358 4.556 0.055 0.000 0.298 742 H C 2.350 177.611 175.328 -0.112 0.000 1.087 742 H CA 2.617 58.565 56.048 -0.167 0.000 1.291 742 H CB -0.165 29.361 29.762 -0.393 0.000 1.369 742 H HN 0.463 nan 8.280 nan 0.000 0.492 743 Y N 0.397 120.846 120.300 0.248 0.000 2.293 743 Y HA -0.026 4.556 4.550 0.055 0.000 0.291 743 Y C 2.931 178.970 175.900 0.230 0.000 1.137 743 Y CA 0.850 59.093 58.100 0.238 0.000 1.202 743 Y CB -0.732 37.921 38.460 0.322 0.000 0.990 743 Y HN 0.322 nan 8.280 nan 0.000 0.537 744 A N -0.517 122.492 122.820 0.315 0.000 1.902 744 A HA -0.255 4.098 4.320 0.055 0.000 0.217 744 A C 2.218 179.904 177.584 0.170 0.000 1.181 744 A CA 1.939 54.125 52.037 0.249 0.000 0.623 744 A CB -1.051 18.083 19.000 0.222 0.000 0.818 744 A HN 0.581 nan 8.150 nan 0.000 0.443 745 H N -0.130 118.958 119.070 0.031 0.000 2.353 745 H HA -0.068 4.521 4.556 0.055 0.000 0.300 745 H C 1.617 176.909 175.328 -0.059 0.000 1.090 745 H CA 1.702 57.728 56.048 -0.037 0.000 1.327 745 H CB 0.069 29.781 29.762 -0.084 0.000 1.383 745 H HN 0.259 nan 8.280 nan 0.000 0.508 746 K N 0.302 120.721 120.400 0.031 0.000 2.057 746 K HA -0.136 4.217 4.320 0.055 0.000 0.207 746 K C 2.167 178.768 176.600 0.001 0.000 1.049 746 K CA 0.642 56.966 56.287 0.063 0.000 0.931 746 K CB -0.844 31.788 32.500 0.221 0.000 0.714 746 K HN 0.231 nan 8.250 nan 0.000 0.440 747 F N 1.824 121.609 119.950 -0.275 0.000 2.113 747 F HA -0.098 4.462 4.527 0.055 0.000 0.297 747 F C 2.202 177.688 175.800 -0.523 0.000 1.103 747 F CA 1.069 58.532 58.000 -0.895 0.000 1.248 747 F CB -0.611 37.846 39.000 -0.906 0.000 0.999 747 F HN 0.009 nan 8.300 nan 0.000 0.475 748 A N 0.470 123.047 122.820 -0.404 0.000 1.940 748 A HA -0.249 4.104 4.320 0.055 0.000 0.219 748 A C 2.123 179.461 177.584 -0.411 0.000 1.176 748 A CA 2.026 53.816 52.037 -0.412 0.000 0.631 748 A CB -0.952 17.897 19.000 -0.252 0.000 0.814 748 A HN 0.495 nan 8.150 nan 0.000 0.446 749 N N 0.319 118.785 118.700 -0.390 0.000 2.120 749 N HA -0.093 4.680 4.740 0.055 0.000 0.188 749 N C 1.904 177.281 175.510 -0.221 0.000 1.024 749 N CA 1.627 54.507 53.050 -0.283 0.000 0.852 749 N CB -0.621 37.728 38.487 -0.230 0.000 1.003 749 N HN 0.466 nan 8.380 nan 0.000 0.424 750 A N 1.112 123.732 122.820 -0.333 0.000 1.933 750 A HA -0.050 4.303 4.320 0.055 0.000 0.218 750 A C 2.311 179.805 177.584 -0.149 0.000 1.175 750 A CA 0.854 52.703 52.037 -0.313 0.000 0.628 750 A CB -0.619 17.931 19.000 -0.751 0.000 0.814 750 A HN 0.233 nan 8.150 nan 0.000 0.444 751 I N -0.932 119.378 120.570 -0.432 0.000 2.226 751 I HA -0.242 3.961 4.170 0.055 0.000 0.245 751 I C 2.588 178.612 176.117 -0.154 0.000 1.100 751 I CA 1.183 62.278 61.300 -0.342 0.000 1.374 751 I CB -0.361 37.311 38.000 -0.546 0.000 1.057 751 I HN 0.260 nan 8.210 nan 0.000 0.413 752 R N 0.747 121.154 120.500 -0.156 0.000 2.237 752 R HA -0.041 4.332 4.340 0.055 0.000 0.219 752 R C 0.992 177.282 176.300 -0.018 0.000 1.080 752 R CA 0.694 56.746 56.100 -0.081 0.000 0.995 752 R CB -0.284 29.962 30.300 -0.091 0.000 0.875 752 R HN 0.421 nan 8.270 nan 0.000 0.462 753 N N 0.814 119.539 118.700 0.042 0.000 2.268 753 N HA -0.014 4.759 4.740 0.055 0.000 0.204 753 N C -0.448 175.149 175.510 0.145 0.000 1.124 753 N CA 0.238 53.360 53.050 0.120 0.000 0.838 753 N CB 0.659 39.279 38.487 0.221 0.000 0.994 753 N HN 0.096 nan 8.380 nan 0.000 0.489 754 E N -1.548 118.719 120.200 0.111 0.000 3.435 754 E HA -0.188 4.195 4.350 0.055 0.000 0.312 754 E C -0.874 175.808 176.600 0.137 0.000 0.869 754 E CA 0.311 56.759 56.400 0.079 0.000 1.112 754 E CB -1.854 27.856 29.700 0.017 0.000 1.561 754 E HN 0.349 nan 8.360 nan 0.000 0.417 755 W N 2.207 123.530 121.300 0.039 0.000 2.190 755 W HA 0.225 4.918 4.660 0.055 0.000 0.330 755 W C 1.385 178.016 176.519 0.187 0.000 1.299 755 W CA 0.212 57.646 57.345 0.149 0.000 1.215 755 W CB 0.420 29.983 29.460 0.171 0.000 1.147 755 W HN -0.075 nan 8.180 nan 0.000 0.563 756 K N 2.998 123.709 120.400 0.518 0.000 2.414 756 K HA 0.163 4.516 4.320 0.055 0.000 0.272 756 K C -0.362 176.561 176.600 0.538 0.000 0.993 756 K CA -0.030 56.497 56.287 0.399 0.000 0.964 756 K CB 0.234 32.904 32.500 0.284 0.000 0.925 756 K HN 0.445 nan 8.250 nan 0.000 0.487 757 I N 5.335 126.116 120.570 0.352 0.000 2.377 757 I HA 0.104 4.307 4.170 0.055 0.000 0.282 757 I C -0.111 176.183 176.117 0.295 0.000 1.091 757 I CA -0.589 60.952 61.300 0.401 0.000 1.207 757 I CB 0.775 38.937 38.000 0.269 0.000 1.429 757 I HN 0.327 nan 8.210 nan 0.000 0.491 758 K N 5.664 126.260 120.400 0.326 0.000 2.127 758 K HA 0.117 4.470 4.320 0.055 0.000 0.261 758 K C 0.974 177.613 176.600 0.064 0.000 1.129 758 K CA 0.051 56.347 56.287 0.016 0.000 0.993 758 K CB 0.382 32.691 32.500 -0.318 0.000 1.410 758 K HN 0.524 nan 8.250 nan 0.000 0.380 759 E N 1.002 121.239 120.200 0.062 0.000 2.219 759 E HA -0.261 4.122 4.350 0.055 0.000 0.198 759 E C 1.487 177.986 176.600 -0.168 0.000 0.998 759 E CA 1.105 57.533 56.400 0.047 0.000 0.818 759 E CB 0.258 30.005 29.700 0.079 0.000 0.741 759 E HN 0.571 nan 8.360 nan 0.000 0.477 760 E N 0.113 120.195 120.200 -0.196 0.000 2.058 760 E HA -0.198 4.185 4.350 0.055 0.000 0.194 760 E C 1.676 178.219 176.600 -0.096 0.000 0.997 760 E CA 1.030 57.309 56.400 -0.202 0.000 0.801 760 E CB 0.019 29.571 29.700 -0.246 0.000 0.746 760 E HN 0.154 nan 8.360 nan 0.000 0.450 761 F N 0.765 120.487 119.950 -0.380 0.000 2.187 761 F HA -0.008 4.552 4.527 0.056 0.000 0.295 761 F C 2.267 177.939 175.800 -0.213 0.000 1.091 761 F CA 0.607 58.172 58.000 -0.725 0.000 1.308 761 F CB -0.888 37.800 39.000 -0.519 0.000 1.030 761 F HN 0.059 nan 8.300 nan 0.000 0.487 762 L N -0.304 121.067 121.223 0.246 0.000 2.191 762 L HA -0.151 4.222 4.340 0.055 0.000 0.212 762 L C 2.446 179.423 176.870 0.178 0.000 1.103 762 L CA 1.038 56.010 54.840 0.219 0.000 0.769 762 L CB -0.948 41.239 42.059 0.213 0.000 0.908 762 L HN 0.069 nan 8.230 nan 0.000 0.438 763 A N -0.999 121.817 122.820 -0.008 0.000 2.167 763 A HA -0.058 4.295 4.320 0.055 0.000 0.214 763 A C 1.819 179.424 177.584 0.036 0.000 1.151 763 A CA 0.887 52.859 52.037 -0.108 0.000 0.735 763 A CB -0.070 18.628 19.000 -0.504 0.000 0.802 763 A HN 0.285 nan 8.150 nan 0.000 0.467 764 E N -1.215 119.058 120.200 0.122 0.000 2.548 764 E HA 0.232 4.615 4.350 0.055 0.000 0.206 764 E C 0.854 177.607 176.600 0.255 0.000 1.005 764 E CA 0.454 56.984 56.400 0.217 0.000 0.951 764 E CB 0.189 30.115 29.700 0.377 0.000 1.035 764 E HN 0.669 nan 8.360 nan 0.000 0.470 765 G N 1.760 110.679 108.800 0.199 0.000 2.176 765 G HA2 -0.288 3.705 3.960 0.055 0.000 0.252 765 G HA3 -0.288 3.705 3.960 0.055 0.000 0.252 765 G C -0.110 174.845 174.900 0.091 0.000 1.024 765 G CA -0.239 44.904 45.100 0.071 0.000 0.755 765 G HN 0.154 nan 8.290 nan 0.000 0.507 766 F N 0.136 120.068 119.950 -0.029 0.000 2.533 766 F HA 0.353 4.914 4.527 0.056 0.000 0.378 766 F C 1.515 177.201 175.800 -0.191 0.000 1.070 766 F CA -0.379 57.605 58.000 -0.026 0.000 1.172 766 F CB 0.703 39.805 39.000 0.170 0.000 1.085 766 F HN 0.035 nan 8.300 nan 0.000 0.552 767 L N 6.446 127.491 121.223 -0.296 0.000 2.583 767 L HA 0.007 4.380 4.340 0.055 0.000 0.239 767 L C 0.949 177.362 176.870 -0.761 0.000 1.347 767 L CA -0.329 54.039 54.840 -0.788 0.000 1.246 767 L CB -0.844 40.695 42.059 -0.866 0.000 1.496 767 L HN 0.698 nan 8.230 nan 0.000 0.413 768 Y N -0.841 119.191 120.300 -0.446 0.000 2.439 768 Y HA -0.130 4.453 4.550 0.055 0.000 0.292 768 Y C 1.744 177.337 175.900 -0.511 0.000 1.130 768 Y CA 0.231 58.153 58.100 -0.297 0.000 1.254 768 Y CB -0.864 37.535 38.460 -0.102 0.000 1.000 768 Y HN 0.362 nan 8.280 nan 0.000 0.554 769 F N -0.906 118.531 119.950 -0.856 0.000 2.765 769 F HA 0.465 5.026 4.527 0.056 0.000 0.302 769 F C 0.224 175.605 175.800 -0.698 0.000 1.111 769 F CA -1.239 56.013 58.000 -1.248 0.000 1.359 769 F CB -1.032 37.198 39.000 -1.283 0.000 1.097 769 F HN -0.147 nan 8.300 nan 0.000 0.577 770 V N 0.000 119.372 119.914 -0.904 0.000 2.409 770 V HA 0.000 4.153 4.120 0.055 0.000 0.244 770 V CA 0.000 62.061 62.300 -0.398 0.000 1.235 770 V CB 0.000 31.611 31.823 -0.353 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556