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 1z25_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMKAIVVINL VKINKKIIPD KIYVYRLXXX XXXXXXXXXY SIYRLAYENV DATA SEQUENCE GIVIDPENLI IATTKELEYE GEFIPEGEIS FSELRNDYQS KLVLRLLKEN DATA SEQUENCE GIGEYELSKL LRKFRKPKTF GDYKVIPSVE MSVIKHDEDF YLVIHIIHQI DATA SEQUENCE QSMKTLWELV NKDPKELEEF LMTHKENLML KDIASPLKTV YKPCFEEYTK DATA SEQUENCE KPKLDHNQEI VKYWYNYHIE RYWNTPEAKL EFYRKFGQVD LKQPAILAKF DATA SEQUENCE ASKXXXXXNY KIYLLPQLVV PTYNAEQLXX XXAKEILEYT KLMPEERKEL DATA SEQUENCE LENILAEVDS DIIDKSLSEI EVEKIAQELE NKIRVRDDKG NSVPISQXXX DATA SEQUENCE XXXXXLLWTN YSRKYPVILP YEVPEKFRKI REIPMFIILD SGLLADIQNF DATA SEQUENCE ATNEFRELVK SMYYXXXXXX XXXXXXXXXX XXXXXXXXXX XXXEKVITED DATA SEQUENCE LNSDKGIIEV VEQVSSFMKG KELGLAFIAA RNKLSSEKFE EIKRRLFNLN DATA SEQUENCE VISQVVNEDT LKNKRDKYDR NRLDLFVRHN LLFQVLSKLG VKYYVLDYRF DATA SEQUENCE NYDYIIGIDV APMKRSEGYI GGSAVMFDSQ GYIRKIVPIK IGEQRGESVD DATA SEQUENCE MNEFFKEMVD KFKEFNIKLD NKKILLLRDG RITNNEEEGL KYISEMFDIE DATA SEQUENCE VVTMDVIKNH PVRAFANMKM YFNLGGAIYL IPHKLKQAKG TPIPIKLAKK DATA SEQUENCE RIIKNGKVEK QSITRQDVLD IFILTRLNYG SISADMRLPA 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 0.000 174.583 174.600 -0.029 0.000 1.055 0 S CA 0.000 58.185 58.200 -0.024 0.000 1.107 0 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 1 M N 2.136 121.713 119.600 -0.038 0.000 2.761 1 M HA 0.675 5.189 4.480 0.057 0.000 0.305 1 M C -1.544 174.719 176.300 -0.063 0.000 1.235 1 M CA -0.643 54.631 55.300 -0.043 0.000 0.850 1 M CB 1.793 34.373 32.600 -0.034 0.000 1.744 1 M HN 0.319 nan 8.290 nan 0.000 0.480 2 K N 1.000 121.361 120.400 -0.064 0.000 2.107 2 K HA 0.832 5.186 4.320 0.057 0.000 0.251 2 K C -1.056 175.500 176.600 -0.073 0.000 1.012 2 K CA -0.564 55.674 56.287 -0.082 0.000 0.920 2 K CB 1.050 33.506 32.500 -0.074 0.000 1.033 2 K HN 0.729 nan 8.250 nan 0.000 0.478 3 A N 1.067 123.835 122.820 -0.086 0.000 2.599 3 A HA 0.557 4.911 4.320 0.057 0.000 0.290 3 A C -1.688 175.838 177.584 -0.098 0.000 1.101 3 A CA -0.776 51.215 52.037 -0.078 0.000 0.674 3 A CB 1.114 20.074 19.000 -0.068 0.000 1.277 3 A HN 0.435 nan 8.150 nan 0.000 0.419 4 I N 1.812 122.328 120.570 -0.090 0.000 2.389 4 I HA 0.557 4.761 4.170 0.057 0.000 0.288 4 I C 0.015 176.064 176.117 -0.113 0.000 0.999 4 I CA -0.539 60.694 61.300 -0.112 0.000 1.129 4 I CB 0.895 38.842 38.000 -0.088 0.000 1.288 4 I HN 0.759 nan 8.210 nan 0.000 0.444 5 V N 5.645 125.460 119.914 -0.166 0.000 3.074 5 V HA 0.732 4.886 4.120 0.057 0.000 0.314 5 V C -0.583 175.403 176.094 -0.180 0.000 1.117 5 V CA -0.661 61.550 62.300 -0.148 0.000 1.014 5 V CB 2.337 34.063 31.823 -0.161 0.000 1.057 5 V HN 0.302 nan 8.190 nan 0.000 0.438 6 V N 4.449 124.302 119.914 -0.101 0.000 2.509 6 V HA 0.520 4.674 4.120 0.057 0.000 0.284 6 V C 0.337 176.309 176.094 -0.205 0.000 1.047 6 V CA -0.189 62.068 62.300 -0.073 0.000 0.952 6 V CB 1.143 33.025 31.823 0.098 0.000 0.988 6 V HN 0.933 nan 8.190 nan 0.000 0.469 7 I N 1.780 122.172 120.570 -0.296 0.000 2.910 7 I HA 0.596 4.801 4.170 0.057 0.000 0.310 7 I C 0.481 176.397 176.117 -0.334 0.000 1.043 7 I CA -0.972 60.029 61.300 -0.499 0.000 1.053 7 I CB 2.172 39.862 38.000 -0.516 0.000 1.242 7 I HN 0.586 nan 8.210 nan 0.000 0.452 8 N N 2.915 121.376 118.700 -0.397 0.000 2.509 8 N HA 0.157 4.932 4.740 0.057 0.000 0.239 8 N C -0.805 174.708 175.510 0.006 0.000 1.215 8 N CA -0.033 52.994 53.050 -0.038 0.000 0.882 8 N CB -0.321 38.208 38.487 0.069 0.000 1.189 8 N HN 0.500 nan 8.380 nan 0.000 0.490 9 L N -0.098 121.102 121.223 -0.038 0.000 2.334 9 L HA 0.569 4.944 4.340 0.057 0.000 0.272 9 L C -0.182 176.749 176.870 0.101 0.000 1.020 9 L CA -1.163 53.695 54.840 0.030 0.000 0.812 9 L CB 2.042 44.065 42.059 -0.059 0.000 1.264 9 L HN 0.010 nan 8.230 nan 0.000 0.439 10 V N 2.228 122.255 119.914 0.189 0.000 2.567 10 V HA 0.389 4.544 4.120 0.057 0.000 0.298 10 V C -0.332 175.890 176.094 0.213 0.000 1.047 10 V CA -0.874 61.533 62.300 0.178 0.000 0.880 10 V CB 1.417 33.304 31.823 0.106 0.000 1.009 10 V HN 0.763 nan 8.190 nan 0.000 0.429 11 K N 5.723 126.267 120.400 0.239 0.000 2.524 11 K HA 0.216 4.570 4.320 0.057 0.000 0.279 11 K C -0.431 176.124 176.600 -0.074 0.000 0.993 11 K CA 0.165 56.422 56.287 -0.050 0.000 1.030 11 K CB 0.340 32.839 32.500 -0.001 0.000 0.891 11 K HN 0.762 nan 8.250 nan 0.000 0.488 12 I N 3.191 123.671 120.570 -0.150 0.000 2.488 12 I HA 0.074 4.278 4.170 0.057 0.000 0.299 12 I C 0.266 176.347 176.117 -0.060 0.000 0.984 12 I CA -0.814 60.449 61.300 -0.061 0.000 1.250 12 I CB 1.580 39.566 38.000 -0.024 0.000 1.389 12 I HN 0.673 nan 8.210 nan 0.000 0.488 13 N N 3.902 122.575 118.700 -0.044 0.000 2.430 13 N HA 0.022 4.796 4.740 0.057 0.000 0.265 13 N C 1.276 176.754 175.510 -0.053 0.000 1.100 13 N CA -0.414 52.611 53.050 -0.041 0.000 0.961 13 N CB 0.751 39.217 38.487 -0.035 0.000 1.075 13 N HN 0.562 nan 8.380 nan 0.000 0.478 14 K N 3.970 124.348 120.400 -0.036 0.000 2.173 14 K HA -0.310 4.044 4.320 0.057 0.000 0.207 14 K C 1.171 177.712 176.600 -0.099 0.000 1.046 14 K CA 1.691 57.951 56.287 -0.046 0.000 0.929 14 K CB -0.196 32.297 32.500 -0.012 0.000 0.720 14 K HN 0.627 nan 8.250 nan 0.000 0.453 15 K N 0.960 121.313 120.400 -0.077 0.000 2.520 15 K HA -0.091 4.263 4.320 0.057 0.000 0.197 15 K C 1.856 178.388 176.600 -0.114 0.000 1.043 15 K CA 1.316 57.554 56.287 -0.083 0.000 0.944 15 K CB -0.266 32.202 32.500 -0.055 0.000 0.770 15 K HN 0.379 nan 8.250 nan 0.000 0.480 16 I N 1.293 121.776 120.570 -0.144 0.000 3.059 16 I HA 0.049 4.253 4.170 0.057 0.000 0.270 16 I C 0.334 176.293 176.117 -0.263 0.000 1.238 16 I CA -0.076 61.122 61.300 -0.170 0.000 1.478 16 I CB 0.255 38.158 38.000 -0.162 0.000 1.097 16 I HN 0.128 nan 8.210 nan 0.000 0.455 17 I N 4.565 124.921 120.570 -0.356 0.000 2.598 17 I HA 0.054 4.259 4.170 0.057 0.000 0.284 17 I C -1.715 174.204 176.117 -0.330 0.000 1.140 17 I CA -1.391 59.576 61.300 -0.554 0.000 1.420 17 I CB 0.099 37.689 38.000 -0.683 0.000 1.387 17 I HN 0.070 nan 8.210 nan 0.000 0.553 18 P HA 0.058 nan 4.420 nan 0.000 0.271 18 P C -0.266 176.966 177.300 -0.113 0.000 1.216 18 P CA -0.221 62.789 63.100 -0.150 0.000 0.776 18 P CB 1.170 32.805 31.700 -0.108 0.000 0.881 19 D N 1.839 122.189 120.400 -0.083 0.000 2.095 19 D HA -0.097 4.577 4.640 0.057 0.000 0.192 19 D C 0.825 177.074 176.300 -0.084 0.000 0.990 19 D CA 1.759 55.720 54.000 -0.065 0.000 0.836 19 D CB 0.120 40.895 40.800 -0.041 0.000 0.979 19 D HN 0.521 nan 8.370 nan 0.000 0.447 20 K N 0.618 120.938 120.400 -0.135 0.000 2.318 20 K HA 0.572 4.926 4.320 0.057 0.000 0.249 20 K C -0.679 175.647 176.600 -0.456 0.000 0.942 20 K CA -0.618 55.508 56.287 -0.269 0.000 0.808 20 K CB 2.490 34.812 32.500 -0.297 0.000 1.189 20 K HN 0.007 nan 8.250 nan 0.000 0.428 21 I N 2.293 122.574 120.570 -0.481 0.000 2.465 21 I HA 0.314 4.518 4.170 0.057 0.000 0.291 21 I C -1.117 174.680 176.117 -0.533 0.000 1.014 21 I CA -1.245 59.800 61.300 -0.424 0.000 1.093 21 I CB 1.399 39.315 38.000 -0.140 0.000 1.267 21 I HN 0.467 nan 8.210 nan 0.000 0.431 22 Y N 4.908 125.209 120.300 0.002 0.000 2.331 22 Y HA 0.526 5.111 4.550 0.057 0.000 0.338 22 Y C 0.058 175.849 175.900 -0.181 0.000 0.992 22 Y CA -0.971 57.070 58.100 -0.098 0.000 1.121 22 Y CB 1.356 39.836 38.460 0.034 0.000 1.184 22 Y HN 0.138 nan 8.280 nan 0.000 0.469 23 V N 4.029 123.805 119.914 -0.230 0.000 2.716 23 V HA 0.454 4.608 4.120 0.057 0.000 0.304 23 V C -0.909 174.903 176.094 -0.470 0.000 1.053 23 V CA -1.076 61.105 62.300 -0.199 0.000 0.984 23 V CB 1.158 32.903 31.823 -0.131 0.000 1.021 23 V HN 0.649 nan 8.190 nan 0.000 0.467 24 Y N 1.892 122.196 120.300 0.008 0.000 2.513 24 Y HA 0.612 5.196 4.550 0.057 0.000 0.340 24 Y C -0.113 175.801 175.900 0.023 0.000 1.055 24 Y CA -0.759 57.361 58.100 0.034 0.000 1.020 24 Y CB 1.897 40.328 38.460 -0.049 0.000 1.301 24 Y HN 0.518 nan 8.280 nan 0.000 0.453 25 R N 3.069 123.714 120.500 0.241 0.000 2.637 25 R HA 0.865 5.240 4.340 0.057 0.000 0.291 25 R C -1.828 174.583 176.300 0.185 0.000 0.963 25 R CA -0.378 55.810 56.100 0.148 0.000 0.901 25 R CB 1.217 31.578 30.300 0.101 0.000 1.160 25 R HN 0.848 nan 8.270 nan 0.000 0.457 40 S N 1.719 117.276 115.700 -0.239 0.000 2.660 40 S HA 0.338 4.843 4.470 0.057 0.000 0.264 40 S C -0.033 174.377 174.600 -0.317 0.000 1.131 40 S CA -0.347 57.752 58.200 -0.168 0.000 0.846 40 S CB 0.426 63.588 63.200 -0.064 0.000 1.151 40 S HN 0.927 nan 8.310 nan 0.000 0.486 41 I N 0.300 120.719 120.570 -0.253 0.000 2.286 41 I HA -0.123 4.081 4.170 0.057 0.000 0.248 41 I C 1.658 177.545 176.117 -0.384 0.000 1.115 41 I CA 1.617 62.697 61.300 -0.366 0.000 1.392 41 I CB -0.187 37.572 38.000 -0.401 0.000 1.065 41 I HN 0.751 nan 8.210 nan 0.000 0.418 42 Y N 0.856 121.049 120.300 -0.178 0.000 2.314 42 Y HA -0.081 4.503 4.550 0.057 0.000 0.293 42 Y C 2.638 178.450 175.900 -0.147 0.000 1.129 42 Y CA 1.007 59.031 58.100 -0.127 0.000 1.201 42 Y CB -0.335 38.070 38.460 -0.092 0.000 0.999 42 Y HN 0.070 nan 8.280 nan 0.000 0.541 43 R N -0.607 119.820 120.500 -0.123 0.000 2.062 43 R HA -0.127 4.247 4.340 0.057 0.000 0.229 43 R C 2.127 178.236 176.300 -0.318 0.000 1.128 43 R CA 1.221 57.190 56.100 -0.218 0.000 0.960 43 R CB -1.030 29.041 30.300 -0.381 0.000 0.855 43 R HN 0.263 nan 8.270 nan 0.000 0.432 44 L N 1.464 122.321 121.223 -0.611 0.000 1.997 44 L HA -0.244 4.131 4.340 0.057 0.000 0.216 44 L C 2.357 179.071 176.870 -0.261 0.000 1.074 44 L CA 2.205 56.727 54.840 -0.530 0.000 0.763 44 L CB -0.839 40.848 42.059 -0.619 0.000 0.890 44 L HN 0.199 nan 8.230 nan 0.000 0.434 45 A N -1.495 121.202 122.820 -0.205 0.000 1.851 45 A HA -0.323 4.031 4.320 0.057 0.000 0.216 45 A C 2.344 179.906 177.584 -0.036 0.000 1.195 45 A CA 1.968 53.940 52.037 -0.109 0.000 0.622 45 A CB -1.476 17.485 19.000 -0.065 0.000 0.831 45 A HN 0.646 nan 8.150 nan 0.000 0.444 46 Y N 0.961 121.219 120.300 -0.070 0.000 2.151 46 Y HA -0.256 4.328 4.550 0.057 0.000 0.284 46 Y C 2.414 178.294 175.900 -0.034 0.000 1.166 46 Y CA 2.318 60.398 58.100 -0.033 0.000 1.163 46 Y CB -0.034 38.412 38.460 -0.024 0.000 0.974 46 Y HN 0.392 nan 8.280 nan 0.000 0.511 47 E N -0.036 120.223 120.200 0.100 0.000 2.110 47 E HA -0.206 4.178 4.350 0.057 0.000 0.193 47 E C 1.115 177.691 176.600 -0.039 0.000 0.988 47 E CA 1.265 57.708 56.400 0.073 0.000 0.804 47 E CB -0.408 29.367 29.700 0.124 0.000 0.745 47 E HN 0.657 nan 8.360 nan 0.000 0.458 48 N N 0.411 119.063 118.700 -0.081 0.000 2.268 48 N HA 0.013 4.787 4.740 0.057 0.000 0.204 48 N C -0.139 175.317 175.510 -0.089 0.000 1.124 48 N CA 0.038 53.034 53.050 -0.090 0.000 0.838 48 N CB 1.390 39.801 38.487 -0.127 0.000 0.994 48 N HN -0.154 nan 8.380 nan 0.000 0.489 49 V N 0.003 119.822 119.914 -0.158 0.000 6.110 49 V HA -0.222 3.932 4.120 0.057 0.000 0.322 49 V C 0.685 176.729 176.094 -0.083 0.000 0.518 49 V CA 0.979 63.180 62.300 -0.166 0.000 0.655 49 V CB -2.074 29.685 31.823 -0.106 0.000 0.283 49 V HN 0.542 nan 8.190 nan 0.000 0.990 50 G N -0.339 108.417 108.800 -0.074 0.000 2.911 50 G HA2 0.991 4.986 3.960 0.057 0.000 0.299 50 G HA3 0.991 4.986 3.960 0.057 0.000 0.299 50 G C -1.204 173.700 174.900 0.008 0.000 1.283 50 G CA -0.174 44.918 45.100 -0.014 0.000 0.805 50 G HN 1.259 nan 8.290 nan 0.000 0.548 51 I N -3.272 117.307 120.570 0.016 0.000 3.279 51 I HA 0.718 4.923 4.170 0.057 0.000 0.315 51 I C -0.842 175.258 176.117 -0.029 0.000 1.225 51 I CA -1.464 59.862 61.300 0.043 0.000 0.947 51 I CB 1.746 39.805 38.000 0.099 0.000 1.293 51 I HN 0.322 nan 8.210 nan 0.000 0.468 52 V N 3.508 123.413 119.914 -0.016 0.000 2.353 52 V HA 0.301 4.456 4.120 0.057 0.000 0.264 52 V C 1.170 177.151 176.094 -0.189 0.000 1.049 52 V CA -0.017 62.200 62.300 -0.138 0.000 0.896 52 V CB 0.362 32.018 31.823 -0.278 0.000 1.025 52 V HN 0.732 nan 8.190 nan 0.000 0.475 53 I N 2.292 122.662 120.570 -0.333 0.000 2.353 53 I HA 0.015 4.219 4.170 0.057 0.000 0.248 53 I C 0.661 176.533 176.117 -0.408 0.000 1.119 53 I CA 1.212 62.109 61.300 -0.672 0.000 1.417 53 I CB 0.193 37.901 38.000 -0.486 0.000 1.078 53 I HN 0.599 nan 8.210 nan 0.000 0.421 54 D N -0.491 119.793 120.400 -0.193 0.000 2.476 54 D HA 0.217 4.891 4.640 0.057 0.000 0.251 54 D C -1.995 174.263 176.300 -0.071 0.000 1.291 54 D CA -1.941 52.013 54.000 -0.076 0.000 0.939 54 D CB 1.845 42.610 40.800 -0.059 0.000 1.221 54 D HN -0.241 nan 8.370 nan 0.000 0.567 55 P HA -0.184 nan 4.420 nan 0.000 0.215 55 P C 1.043 178.319 177.300 -0.040 0.000 1.157 55 P CA 1.302 64.375 63.100 -0.045 0.000 0.874 55 P CB 0.340 32.078 31.700 0.062 0.000 0.790 56 E N -0.466 119.730 120.200 -0.007 0.000 2.005 56 E HA -0.101 4.284 4.350 0.057 0.000 0.191 56 E C 1.174 177.767 176.600 -0.012 0.000 0.987 56 E CA 1.104 57.504 56.400 -0.001 0.000 0.814 56 E CB -1.819 27.890 29.700 0.014 0.000 0.772 56 E HN 0.269 nan 8.360 nan 0.000 0.453 57 N N 1.965 120.659 118.700 -0.010 0.000 2.601 57 N HA 0.011 4.785 4.740 0.057 0.000 0.201 57 N C 0.086 175.583 175.510 -0.021 0.000 1.355 57 N CA 0.127 53.172 53.050 -0.008 0.000 0.880 57 N CB -0.318 38.167 38.487 -0.003 0.000 1.071 57 N HN 0.242 nan 8.380 nan 0.000 0.454 58 L N 0.092 121.286 121.223 -0.048 0.000 4.035 58 L HA -0.226 4.148 4.340 0.057 0.000 0.490 58 L C -0.454 176.376 176.870 -0.067 0.000 1.163 58 L CA 0.580 55.370 54.840 -0.083 0.000 0.680 58 L CB -1.932 40.090 42.059 -0.062 0.000 1.409 58 L HN 0.191 nan 8.230 nan 0.000 0.786 59 I N 2.283 122.804 120.570 -0.080 0.000 2.339 59 I HA 0.522 4.726 4.170 0.057 0.000 0.290 59 I C 0.475 176.533 176.117 -0.098 0.000 0.994 59 I CA -0.537 60.727 61.300 -0.061 0.000 1.191 59 I CB 1.437 39.398 38.000 -0.065 0.000 1.343 59 I HN 0.260 nan 8.210 nan 0.000 0.458 60 I N 2.849 123.392 120.570 -0.044 0.000 2.603 60 I HA 0.901 5.105 4.170 0.057 0.000 0.300 60 I C -0.410 175.725 176.117 0.030 0.000 1.017 60 I CA -0.754 60.515 61.300 -0.053 0.000 1.098 60 I CB 2.133 40.081 38.000 -0.087 0.000 1.279 60 I HN 0.547 nan 8.210 nan 0.000 0.437 61 A N 4.135 126.950 122.820 -0.010 0.000 2.258 61 A HA 0.758 5.113 4.320 0.057 0.000 0.316 61 A C -0.243 177.386 177.584 0.076 0.000 1.279 61 A CA -0.404 51.648 52.037 0.025 0.000 0.876 61 A CB 0.684 19.657 19.000 -0.045 0.000 1.170 61 A HN 0.788 nan 8.150 nan 0.000 0.520 62 T N 1.318 115.980 114.554 0.181 0.000 2.863 62 T HA 0.461 4.845 4.350 0.057 0.000 0.285 62 T C 1.276 176.120 174.700 0.240 0.000 1.009 62 T CA 0.244 62.460 62.100 0.194 0.000 0.989 62 T CB 1.587 70.593 68.868 0.230 0.000 1.004 62 T HN 0.770 nan 8.240 nan 0.000 0.455 63 T N -0.702 113.942 114.554 0.150 0.000 3.107 63 T HA 0.255 4.639 4.350 0.057 0.000 0.249 63 T C 0.444 175.303 174.700 0.265 0.000 1.096 63 T CA -0.007 62.168 62.100 0.125 0.000 1.012 63 T CB 0.072 68.957 68.868 0.029 0.000 0.977 63 T HN 0.155 nan 8.240 nan 0.000 0.527 64 K N 1.764 122.332 120.400 0.280 0.000 2.375 64 K HA 0.349 4.703 4.320 0.057 0.000 0.249 64 K C -0.650 175.970 176.600 0.033 0.000 0.942 64 K CA -0.654 55.733 56.287 0.167 0.000 0.806 64 K CB 2.285 34.808 32.500 0.038 0.000 1.227 64 K HN 0.358 nan 8.250 nan 0.000 0.430 65 E N 3.314 123.403 120.200 -0.186 0.000 2.606 65 E HA -0.088 4.296 4.350 0.057 0.000 0.248 65 E C -0.155 176.307 176.600 -0.230 0.000 1.005 65 E CA -0.214 55.983 56.400 -0.339 0.000 0.946 65 E CB 0.391 29.941 29.700 -0.250 0.000 0.928 65 E HN 0.317 nan 8.360 nan 0.000 0.494 66 L N 5.812 126.821 121.223 -0.358 0.000 2.698 66 L HA -0.010 4.365 4.340 0.057 0.000 0.272 66 L C -0.493 176.084 176.870 -0.487 0.000 1.154 66 L CA 1.103 55.539 54.840 -0.672 0.000 0.964 66 L CB -0.232 40.730 42.059 -1.828 0.000 1.272 66 L HN 0.684 nan 8.230 nan 0.000 0.483 67 E N 6.173 126.216 120.200 -0.263 0.000 2.167 67 E HA 0.228 4.612 4.350 0.057 0.000 0.284 67 E C -1.562 175.030 176.600 -0.013 0.000 1.016 67 E CA -0.322 56.013 56.400 -0.108 0.000 0.817 67 E CB 1.214 30.890 29.700 -0.040 0.000 1.080 67 E HN 0.463 nan 8.360 nan 0.000 0.397 68 Y N 1.979 122.192 120.300 -0.145 0.000 2.264 68 Y HA 0.091 4.676 4.550 0.057 0.000 0.321 68 Y C -0.480 175.478 175.900 0.096 0.000 1.199 68 Y CA -0.953 57.115 58.100 -0.054 0.000 1.175 68 Y CB 0.730 39.067 38.460 -0.205 0.000 1.213 68 Y HN 0.493 nan 8.280 nan 0.000 0.414 69 E N 3.428 123.552 120.200 -0.128 0.000 2.405 69 E HA 0.186 4.570 4.350 0.057 0.000 0.194 69 E C 0.760 177.146 176.600 -0.355 0.000 1.149 69 E CA 0.456 56.748 56.400 -0.179 0.000 0.933 69 E CB 0.326 29.967 29.700 -0.098 0.000 1.028 69 E HN 0.751 nan 8.360 nan 0.000 0.487 70 G N 1.201 109.519 108.800 -0.803 0.000 3.217 70 G HA2 0.295 4.289 3.960 0.057 0.000 0.213 70 G HA3 0.295 4.289 3.960 0.057 0.000 0.213 70 G C -0.509 174.190 174.900 -0.335 0.000 1.294 70 G CA -0.712 43.985 45.100 -0.671 0.000 0.987 70 G HN 0.108 nan 8.290 nan 0.000 0.584 71 E N -1.081 119.052 120.200 -0.111 0.000 2.342 71 E HA 0.665 5.049 4.350 0.057 0.000 0.257 71 E C -0.501 176.306 176.600 0.346 0.000 1.150 71 E CA -0.697 55.718 56.400 0.025 0.000 0.926 71 E CB 0.945 30.661 29.700 0.027 0.000 1.074 71 E HN 1.102 nan 8.360 nan 0.000 0.449 72 F N -2.255 117.773 119.950 0.131 0.000 2.845 72 F HA 0.350 4.912 4.527 0.057 0.000 0.330 72 F C -2.168 173.721 175.800 0.149 0.000 1.130 72 F CA -1.273 56.837 58.000 0.183 0.000 0.914 72 F CB 0.370 39.536 39.000 0.278 0.000 1.331 72 F HN 0.597 nan 8.300 nan 0.000 0.463 73 I N 4.617 125.430 120.570 0.404 0.000 2.410 73 I HA 0.504 4.708 4.170 0.057 0.000 0.286 73 I C -2.468 173.877 176.117 0.380 0.000 1.009 73 I CA -2.487 58.958 61.300 0.241 0.000 1.111 73 I CB 2.533 40.600 38.000 0.111 0.000 1.262 73 I HN 0.467 nan 8.210 nan 0.000 0.443 74 P HA 0.088 nan 4.420 nan 0.000 0.271 74 P C -0.565 176.739 177.300 0.006 0.000 1.226 74 P CA 0.073 63.278 63.100 0.175 0.000 0.765 74 P CB 0.896 32.720 31.700 0.205 0.000 0.835 75 E N 2.310 122.447 120.200 -0.105 0.000 2.437 75 E HA 0.226 4.611 4.350 0.057 0.000 0.195 75 E C 1.101 177.645 176.600 -0.093 0.000 1.029 75 E CA -0.089 56.269 56.400 -0.070 0.000 0.948 75 E CB -0.092 29.576 29.700 -0.054 0.000 1.082 75 E HN 0.800 nan 8.360 nan 0.000 0.456 76 G N 1.751 110.481 108.800 -0.117 0.000 2.846 76 G HA2 -0.265 3.729 3.960 0.057 0.000 0.660 76 G HA3 -0.265 3.729 3.960 0.057 0.000 0.660 76 G C -0.371 174.485 174.900 -0.073 0.000 1.464 76 G CA -0.618 44.441 45.100 -0.068 0.000 0.891 76 G HN 0.236 nan 8.290 nan 0.000 0.552 77 E N -0.941 119.244 120.200 -0.025 0.000 2.404 77 E HA 0.527 4.911 4.350 0.057 0.000 0.261 77 E C 0.487 177.037 176.600 -0.082 0.000 1.074 77 E CA 0.145 56.504 56.400 -0.069 0.000 0.917 77 E CB 1.358 31.021 29.700 -0.061 0.000 0.965 77 E HN 0.545 nan 8.360 nan 0.000 0.433 78 I N 0.305 120.808 120.570 -0.111 0.000 3.095 78 I HA 0.210 4.415 4.170 0.057 0.000 0.310 78 I C -0.958 175.118 176.117 -0.069 0.000 1.196 78 I CA -0.534 60.720 61.300 -0.076 0.000 0.985 78 I CB 2.126 40.081 38.000 -0.074 0.000 1.250 78 I HN 0.615 nan 8.210 nan 0.000 0.446 79 S N 3.327 119.008 115.700 -0.031 0.000 2.578 79 S HA 0.337 4.842 4.470 0.057 0.000 0.301 79 S C 0.591 175.223 174.600 0.053 0.000 1.091 79 S CA -0.551 57.657 58.200 0.013 0.000 1.032 79 S CB 1.414 64.628 63.200 0.023 0.000 1.064 79 S HN 0.648 nan 8.310 nan 0.000 0.508 80 F N 3.015 122.943 119.950 -0.038 0.000 2.184 80 F HA -0.151 4.410 4.527 0.057 0.000 0.301 80 F C 2.479 178.298 175.800 0.031 0.000 1.076 80 F CA 2.108 60.099 58.000 -0.014 0.000 1.295 80 F CB -0.491 38.492 39.000 -0.028 0.000 1.026 80 F HN 0.777 nan 8.300 nan 0.000 0.494 81 S N -1.123 114.618 115.700 0.067 0.000 2.515 81 S HA -0.110 4.394 4.470 0.057 0.000 0.231 81 S C 1.486 176.058 174.600 -0.046 0.000 0.987 81 S CA 1.019 59.228 58.200 0.015 0.000 0.936 81 S CB -0.525 62.718 63.200 0.071 0.000 0.766 81 S HN 0.626 nan 8.310 nan 0.000 0.528 82 E N 0.476 120.640 120.200 -0.060 0.000 2.474 82 E HA 0.276 4.660 4.350 0.057 0.000 0.194 82 E C -0.224 176.343 176.600 -0.056 0.000 1.041 82 E CA -0.179 56.193 56.400 -0.046 0.000 0.874 82 E CB 0.113 29.794 29.700 -0.032 0.000 0.914 82 E HN 0.556 nan 8.360 nan 0.000 0.498 83 L N 1.300 122.454 121.223 -0.115 0.000 2.395 83 L HA 0.310 4.684 4.340 0.057 0.000 0.269 83 L C 0.674 177.541 176.870 -0.005 0.000 1.133 83 L CA -0.616 54.194 54.840 -0.050 0.000 0.812 83 L CB 0.679 42.665 42.059 -0.123 0.000 1.125 83 L HN -0.078 nan 8.230 nan 0.000 0.452 84 R N 1.431 122.008 120.500 0.128 0.000 2.734 84 R HA -0.007 4.368 4.340 0.057 0.000 0.266 84 R C 1.264 177.556 176.300 -0.014 0.000 1.044 84 R CA -0.279 55.849 56.100 0.046 0.000 1.128 84 R CB 0.458 30.783 30.300 0.042 0.000 1.010 84 R HN 0.611 nan 8.270 nan 0.000 0.461 85 N N 2.385 121.067 118.700 -0.029 0.000 2.036 85 N HA -0.257 4.517 4.740 0.057 0.000 0.199 85 N C 0.817 176.338 175.510 0.018 0.000 1.036 85 N CA 2.021 55.077 53.050 0.010 0.000 0.870 85 N CB -0.374 38.117 38.487 0.006 0.000 1.055 85 N HN 0.613 nan 8.380 nan 0.000 0.436 86 D N 0.326 120.668 120.400 -0.098 0.000 2.154 86 D HA -0.211 4.463 4.640 0.057 0.000 0.190 86 D C 1.935 178.162 176.300 -0.122 0.000 1.003 86 D CA 1.409 55.310 54.000 -0.165 0.000 0.849 86 D CB -0.609 39.959 40.800 -0.385 0.000 0.942 86 D HN 0.393 nan 8.370 nan 0.000 0.446 87 Y N 1.409 121.724 120.300 0.024 0.000 2.293 87 Y HA -0.094 4.491 4.550 0.057 0.000 0.291 87 Y C 2.676 178.565 175.900 -0.019 0.000 1.137 87 Y CA 0.589 58.692 58.100 0.005 0.000 1.202 87 Y CB -0.637 37.808 38.460 -0.026 0.000 0.990 87 Y HN 0.074 nan 8.280 nan 0.000 0.537 88 Q N -0.636 119.196 119.800 0.054 0.000 2.079 88 Q HA -0.149 4.225 4.340 0.057 0.000 0.200 88 Q C 2.389 178.478 176.000 0.149 0.000 0.974 88 Q CA 1.838 57.591 55.803 -0.083 0.000 0.840 88 Q CB -0.249 28.402 28.738 -0.145 0.000 0.898 88 Q HN 0.368 nan 8.270 nan 0.000 0.430 89 S N 0.859 116.703 115.700 0.239 0.000 2.368 89 S HA -0.118 4.387 4.470 0.057 0.000 0.224 89 S C 1.732 176.424 174.600 0.154 0.000 1.029 89 S CA 1.089 59.438 58.200 0.248 0.000 0.988 89 S CB -0.070 63.293 63.200 0.271 0.000 0.838 89 S HN 0.263 nan 8.310 nan 0.000 0.462 90 K N 0.639 121.129 120.400 0.150 0.000 2.057 90 K HA -0.007 4.347 4.320 0.057 0.000 0.206 90 K C 2.085 178.764 176.600 0.132 0.000 1.050 90 K CA 0.879 57.255 56.287 0.148 0.000 0.935 90 K CB -0.331 32.285 32.500 0.194 0.000 0.715 90 K HN 0.164 nan 8.250 nan 0.000 0.439 91 L N 0.956 122.264 121.223 0.142 0.000 2.083 91 L HA -0.140 4.234 4.340 0.057 0.000 0.209 91 L C 1.928 178.832 176.870 0.057 0.000 1.083 91 L CA 1.483 56.393 54.840 0.117 0.000 0.752 91 L CB -0.258 41.907 42.059 0.176 0.000 0.899 91 L HN -0.102 nan 8.230 nan 0.000 0.433 92 V N -0.659 119.268 119.914 0.022 0.000 2.307 92 V HA -0.239 3.915 4.120 0.057 0.000 0.245 92 V C 2.490 178.570 176.094 -0.024 0.000 1.045 92 V CA 1.509 63.755 62.300 -0.090 0.000 1.024 92 V CB -0.650 31.027 31.823 -0.243 0.000 0.651 92 V HN 0.503 nan 8.190 nan 0.000 0.449 93 L N 0.816 122.059 121.223 0.034 0.000 2.013 93 L HA -0.221 4.153 4.340 0.057 0.000 0.212 93 L C 2.548 179.452 176.870 0.056 0.000 1.073 93 L CA 2.441 57.319 54.840 0.063 0.000 0.753 93 L CB -0.774 41.342 42.059 0.095 0.000 0.890 93 L HN 0.285 nan 8.230 nan 0.000 0.432 94 R N -0.582 119.950 120.500 0.053 0.000 2.120 94 R HA -0.104 4.270 4.340 0.057 0.000 0.234 94 R C 2.138 178.418 176.300 -0.032 0.000 1.123 94 R CA 1.733 57.847 56.100 0.024 0.000 0.975 94 R CB -0.679 29.626 30.300 0.009 0.000 0.866 94 R HN 0.526 nan 8.270 nan 0.000 0.446 95 L N -0.299 120.903 121.223 -0.036 0.000 2.109 95 L HA -0.066 4.308 4.340 0.057 0.000 0.207 95 L C 2.220 179.066 176.870 -0.041 0.000 1.086 95 L CA 0.831 55.636 54.840 -0.058 0.000 0.760 95 L CB -0.342 41.666 42.059 -0.086 0.000 0.910 95 L HN 0.221 nan 8.230 nan 0.000 0.437 96 L N -0.065 121.145 121.223 -0.021 0.000 2.042 96 L HA -0.263 4.112 4.340 0.057 0.000 0.210 96 L C 2.686 179.567 176.870 0.019 0.000 1.076 96 L CA 1.150 55.989 54.840 -0.001 0.000 0.749 96 L CB -0.405 41.666 42.059 0.019 0.000 0.893 96 L HN 0.198 nan 8.230 nan 0.000 0.432 97 K N 0.379 120.799 120.400 0.033 0.000 2.009 97 K HA -0.216 4.138 4.320 0.057 0.000 0.210 97 K C 1.948 178.567 176.600 0.032 0.000 1.049 97 K CA 1.488 57.811 56.287 0.060 0.000 0.929 97 K CB -0.203 32.355 32.500 0.096 0.000 0.714 97 K HN 0.081 nan 8.250 nan 0.000 0.440 98 E N 0.387 120.578 120.200 -0.016 0.000 2.333 98 E HA -0.164 4.220 4.350 0.057 0.000 0.200 98 E C 0.556 177.154 176.600 -0.004 0.000 1.010 98 E CA 1.005 57.389 56.400 -0.026 0.000 0.841 98 E CB -0.357 29.308 29.700 -0.057 0.000 0.757 98 E HN 0.418 nan 8.360 nan 0.000 0.508 99 N N -0.868 117.834 118.700 0.004 0.000 2.251 99 N HA 0.167 4.942 4.740 0.057 0.000 0.217 99 N C 0.571 176.097 175.510 0.027 0.000 1.124 99 N CA 0.550 53.605 53.050 0.008 0.000 0.843 99 N CB 1.151 39.636 38.487 -0.002 0.000 1.024 99 N HN 0.140 nan 8.380 nan 0.000 0.501 100 G N 0.715 109.541 108.800 0.044 0.000 2.153 100 G HA2 -0.267 3.727 3.960 0.057 0.000 0.252 100 G HA3 -0.267 3.727 3.960 0.057 0.000 0.252 100 G C 0.002 174.943 174.900 0.067 0.000 0.994 100 G CA -0.165 44.975 45.100 0.066 0.000 0.698 100 G HN 0.369 nan 8.290 nan 0.000 0.521 101 I N 1.537 122.144 120.570 0.062 0.000 2.557 101 I HA 0.537 4.741 4.170 0.057 0.000 0.277 101 I C 0.929 177.093 176.117 0.078 0.000 1.106 101 I CA -0.001 61.335 61.300 0.061 0.000 1.180 101 I CB 0.613 38.640 38.000 0.045 0.000 1.392 101 I HN 0.221 nan 8.210 nan 0.000 0.506 102 G N 2.480 111.340 108.800 0.099 0.000 2.818 102 G HA2 0.343 4.338 3.960 0.057 0.000 0.286 102 G HA3 0.343 4.338 3.960 0.057 0.000 0.286 102 G C 0.206 175.174 174.900 0.113 0.000 1.364 102 G CA -0.278 44.893 45.100 0.119 0.000 0.938 102 G HN 0.430 nan 8.290 nan 0.000 0.490 103 E N -1.172 119.099 120.200 0.117 0.000 2.153 103 E HA -0.160 4.224 4.350 0.057 0.000 0.194 103 E C 1.666 178.334 176.600 0.113 0.000 0.988 103 E CA 1.128 57.586 56.400 0.097 0.000 0.811 103 E CB -0.087 29.665 29.700 0.087 0.000 0.746 103 E HN 0.506 nan 8.360 nan 0.000 0.466 104 Y N 2.137 122.458 120.300 0.034 0.000 2.092 104 Y HA -0.232 4.352 4.550 0.057 0.000 0.282 104 Y C 1.902 177.822 175.900 0.033 0.000 1.126 104 Y CA 1.963 60.080 58.100 0.029 0.000 1.111 104 Y CB -0.276 38.203 38.460 0.031 0.000 0.987 104 Y HN -0.116 nan 8.280 nan 0.000 0.489 105 E N 0.577 120.735 120.200 -0.070 0.000 2.021 105 E HA -0.227 4.157 4.350 0.057 0.000 0.200 105 E C 1.978 178.498 176.600 -0.133 0.000 1.015 105 E CA 2.038 58.340 56.400 -0.163 0.000 0.824 105 E CB -0.805 28.912 29.700 0.029 0.000 0.762 105 E HN 0.403 nan 8.360 nan 0.000 0.454 106 L N 0.571 121.772 121.223 -0.038 0.000 2.275 106 L HA -0.090 4.284 4.340 0.057 0.000 0.215 106 L C 2.067 178.923 176.870 -0.024 0.000 1.119 106 L CA 1.310 56.144 54.840 -0.010 0.000 0.790 106 L CB -0.412 41.662 42.059 0.025 0.000 0.919 106 L HN 0.010 nan 8.230 nan 0.000 0.443 107 S N -0.969 114.697 115.700 -0.057 0.000 2.406 107 S HA -0.119 4.385 4.470 0.057 0.000 0.228 107 S C 1.944 176.498 174.600 -0.075 0.000 1.020 107 S CA 0.868 59.037 58.200 -0.052 0.000 0.965 107 S CB -0.035 63.140 63.200 -0.041 0.000 0.798 107 S HN 0.409 nan 8.310 nan 0.000 0.488 108 K N 0.990 121.297 120.400 -0.154 0.000 2.097 108 K HA 0.080 4.434 4.320 0.057 0.000 0.205 108 K C 1.906 178.448 176.600 -0.097 0.000 1.050 108 K CA 0.810 57.002 56.287 -0.157 0.000 0.938 108 K CB -0.247 32.095 32.500 -0.263 0.000 0.718 108 K HN 0.280 nan 8.250 nan 0.000 0.442 109 L N 0.633 121.823 121.223 -0.056 0.000 2.017 109 L HA -0.196 4.178 4.340 0.057 0.000 0.208 109 L C 2.409 179.339 176.870 0.099 0.000 1.073 109 L CA 0.610 55.462 54.840 0.020 0.000 0.745 109 L CB -0.473 41.638 42.059 0.086 0.000 0.894 109 L HN 0.182 nan 8.230 nan 0.000 0.432 110 L N 0.251 121.535 121.223 0.102 0.000 2.013 110 L HA -0.220 4.154 4.340 0.057 0.000 0.212 110 L C 2.590 179.528 176.870 0.114 0.000 1.073 110 L CA 1.785 56.715 54.840 0.150 0.000 0.753 110 L CB -0.495 41.596 42.059 0.054 0.000 0.890 110 L HN 0.094 nan 8.230 nan 0.000 0.432 111 R N -0.582 119.932 120.500 0.023 0.000 2.357 111 R HA -0.102 4.272 4.340 0.057 0.000 0.202 111 R C 1.961 178.212 176.300 -0.082 0.000 1.047 111 R CA 0.597 56.699 56.100 0.002 0.000 1.034 111 R CB -0.189 30.108 30.300 -0.005 0.000 0.875 111 R HN 0.459 nan 8.270 nan 0.000 0.473 112 K N -0.602 119.666 120.400 -0.219 0.000 2.228 112 K HA -0.021 4.334 4.320 0.057 0.000 0.202 112 K C 0.897 177.113 176.600 -0.639 0.000 1.051 112 K CA 1.017 56.998 56.287 -0.511 0.000 0.960 112 K CB 0.254 32.249 32.500 -0.842 0.000 0.743 112 K HN 0.109 nan 8.250 nan 0.000 0.458 113 F N -0.369 119.585 119.950 0.007 0.000 2.592 113 F HA 0.202 4.763 4.527 0.057 0.000 0.280 113 F C 0.764 176.582 175.800 0.030 0.000 1.083 113 F CA -0.419 57.588 58.000 0.011 0.000 1.365 113 F CB 0.395 39.392 39.000 -0.005 0.000 1.100 113 F HN -0.290 nan 8.300 nan 0.000 0.633 114 R N 1.897 122.519 120.500 0.203 0.000 2.312 114 R HA 0.325 4.699 4.340 0.057 0.000 0.310 114 R C -1.044 175.361 176.300 0.176 0.000 1.064 114 R CA -0.373 55.832 56.100 0.175 0.000 0.983 114 R CB 0.166 30.544 30.300 0.130 0.000 1.139 114 R HN -0.019 nan 8.270 nan 0.000 0.536 115 K N 4.238 124.750 120.400 0.186 0.000 2.118 115 K HA 0.367 4.721 4.320 0.057 0.000 0.264 115 K C -2.247 174.471 176.600 0.198 0.000 1.000 115 K CA -1.858 54.514 56.287 0.140 0.000 0.929 115 K CB 0.753 33.294 32.500 0.069 0.000 1.021 115 K HN 0.347 nan 8.250 nan 0.000 0.463 116 P HA -0.026 nan 4.420 nan 0.000 0.265 116 P C -1.109 176.196 177.300 0.008 0.000 1.193 116 P CA 0.252 63.428 63.100 0.126 0.000 0.765 116 P CB 0.474 32.224 31.700 0.083 0.000 0.823 117 K N 1.411 121.767 120.400 -0.074 0.000 2.378 117 K HA 0.526 4.880 4.320 0.057 0.000 0.252 117 K C -0.613 175.846 176.600 -0.234 0.000 0.931 117 K CA -0.607 55.477 56.287 -0.339 0.000 0.794 117 K CB 1.250 33.246 32.500 -0.839 0.000 1.181 117 K HN 0.467 nan 8.250 nan 0.000 0.425 118 T N 0.035 114.372 114.554 -0.363 0.000 2.859 118 T HA 0.596 4.980 4.350 0.057 0.000 0.281 118 T C -0.596 173.836 174.700 -0.447 0.000 1.005 118 T CA -0.589 61.398 62.100 -0.187 0.000 1.025 118 T CB 0.379 69.185 68.868 -0.102 0.000 0.977 118 T HN 0.308 nan 8.240 nan 0.000 0.458 119 F N 1.831 121.795 119.950 0.024 0.000 2.553 119 F HA 0.609 5.170 4.527 0.057 0.000 0.335 119 F C 1.230 177.086 175.800 0.093 0.000 1.148 119 F CA -0.061 57.962 58.000 0.038 0.000 0.963 119 F CB 1.568 40.590 39.000 0.037 0.000 1.217 119 F HN 1.225 nan 8.300 nan 0.000 0.441 120 G N 2.849 111.755 108.800 0.177 0.000 2.556 120 G HA2 -0.296 3.699 3.960 0.057 0.000 0.283 120 G HA3 -0.296 3.699 3.960 0.057 0.000 0.283 120 G C 0.260 175.209 174.900 0.081 0.000 1.177 120 G CA 0.334 45.518 45.100 0.139 0.000 0.978 120 G HN 0.536 nan 8.290 nan 0.000 0.554 121 D N 0.717 121.138 120.400 0.036 0.000 2.336 121 D HA 0.338 5.012 4.640 0.057 0.000 0.228 121 D C -0.251 175.886 176.300 -0.272 0.000 1.120 121 D CA 0.534 54.452 54.000 -0.138 0.000 0.839 121 D CB 0.086 40.744 40.800 -0.237 0.000 0.932 121 D HN 0.277 nan 8.370 nan 0.000 0.509 122 Y N 0.663 121.037 120.300 0.124 0.000 2.409 122 Y HA 0.276 4.860 4.550 0.057 0.000 0.343 122 Y C 0.400 176.404 175.900 0.172 0.000 0.973 122 Y CA -1.003 57.189 58.100 0.153 0.000 1.064 122 Y CB 1.926 40.484 38.460 0.163 0.000 1.207 122 Y HN -0.375 nan 8.280 nan 0.000 0.452 123 K N 3.162 123.755 120.400 0.323 0.000 2.307 123 K HA 0.620 4.974 4.320 0.057 0.000 0.263 123 K C -1.651 175.110 176.600 0.269 0.000 0.973 123 K CA -0.586 55.844 56.287 0.238 0.000 0.846 123 K CB 1.016 33.600 32.500 0.140 0.000 1.100 123 K HN 0.530 nan 8.250 nan 0.000 0.438 124 V N 6.533 126.623 119.914 0.293 0.000 2.432 124 V HA 0.280 4.434 4.120 0.057 0.000 0.271 124 V C 0.162 176.438 176.094 0.303 0.000 1.046 124 V CA -0.459 62.024 62.300 0.305 0.000 0.945 124 V CB 0.620 32.662 31.823 0.366 0.000 0.992 124 V HN 0.660 nan 8.190 nan 0.000 0.471 125 I N 7.595 128.327 120.570 0.270 0.000 2.354 125 I HA 0.386 4.590 4.170 0.057 0.000 0.286 125 I C -2.503 173.734 176.117 0.201 0.000 1.007 125 I CA -1.989 59.442 61.300 0.217 0.000 1.167 125 I CB 1.989 40.080 38.000 0.151 0.000 1.320 125 I HN 0.413 nan 8.210 nan 0.000 0.458 126 P HA 0.298 nan 4.420 nan 0.000 0.278 126 P C -0.713 176.559 177.300 -0.047 0.000 1.238 126 P CA -0.234 62.865 63.100 -0.001 0.000 0.794 126 P CB 1.268 33.006 31.700 0.062 0.000 0.955 127 S N 0.303 115.919 115.700 -0.139 0.000 2.636 127 S HA 0.666 5.170 4.470 0.057 0.000 0.268 127 S C -0.876 173.655 174.600 -0.115 0.000 1.159 127 S CA -0.816 57.337 58.200 -0.079 0.000 0.815 127 S CB 0.781 63.964 63.200 -0.029 0.000 1.130 127 S HN 0.324 nan 8.310 nan 0.000 0.471 128 V N -1.250 118.630 119.914 -0.058 0.000 2.555 128 V HA 0.789 4.943 4.120 0.057 0.000 0.302 128 V C -0.421 175.673 176.094 -0.001 0.000 1.038 128 V CA -0.570 61.702 62.300 -0.046 0.000 0.887 128 V CB 1.353 33.173 31.823 -0.005 0.000 0.991 128 V HN 1.115 nan 8.190 nan 0.000 0.434 129 E N 4.450 124.660 120.200 0.016 0.000 2.134 129 E HA 0.619 5.004 4.350 0.057 0.000 0.278 129 E C -1.010 175.654 176.600 0.107 0.000 0.959 129 E CA -0.683 55.760 56.400 0.070 0.000 0.783 129 E CB 1.381 31.143 29.700 0.104 0.000 1.095 129 E HN 0.843 nan 8.360 nan 0.000 0.399 130 M N 3.066 122.723 119.600 0.095 0.000 2.311 130 M HA 0.332 4.847 4.480 0.057 0.000 0.325 130 M C -0.702 175.660 176.300 0.104 0.000 1.061 130 M CA -0.536 54.826 55.300 0.103 0.000 0.957 130 M CB 2.189 34.845 32.600 0.093 0.000 1.646 130 M HN 0.540 nan 8.290 nan 0.000 0.434 131 S N 1.371 117.140 115.700 0.114 0.000 2.685 131 S HA 0.874 5.378 4.470 0.057 0.000 0.282 131 S C -1.095 173.587 174.600 0.136 0.000 1.159 131 S CA -0.932 57.339 58.200 0.118 0.000 0.833 131 S CB 1.849 65.118 63.200 0.116 0.000 1.151 131 S HN 0.423 nan 8.310 nan 0.000 0.485 132 V N 1.332 121.338 119.914 0.153 0.000 2.487 132 V HA 0.525 4.680 4.120 0.057 0.000 0.298 132 V C -0.831 175.400 176.094 0.228 0.000 1.028 132 V CA -0.551 61.868 62.300 0.199 0.000 0.860 132 V CB 1.180 33.126 31.823 0.204 0.000 0.991 132 V HN 0.822 nan 8.190 nan 0.000 0.427 133 I N 4.291 125.016 120.570 0.259 0.000 2.404 133 I HA 0.458 4.663 4.170 0.057 0.000 0.293 133 I C 0.038 176.331 176.117 0.294 0.000 0.992 133 I CA -0.668 60.781 61.300 0.248 0.000 1.149 133 I CB 1.824 39.949 38.000 0.208 0.000 1.315 133 I HN 0.489 nan 8.210 nan 0.000 0.446 134 K N 4.940 125.463 120.400 0.206 0.000 2.262 134 K HA 0.149 4.503 4.320 0.057 0.000 0.282 134 K C 0.222 176.890 176.600 0.112 0.000 1.066 134 K CA -0.259 56.039 56.287 0.019 0.000 0.901 134 K CB 0.726 33.156 32.500 -0.116 0.000 1.089 134 K HN 0.560 nan 8.250 nan 0.000 0.476 135 H N 3.412 122.535 119.070 0.088 0.000 2.272 135 H HA 0.067 4.657 4.556 0.057 0.000 0.320 135 H C 0.604 175.942 175.328 0.016 0.000 1.072 135 H CA 1.618 57.713 56.048 0.078 0.000 1.458 135 H CB 0.373 30.189 29.762 0.090 0.000 1.456 135 H HN 0.745 nan 8.280 nan 0.000 0.551 136 D N -0.871 119.362 120.400 -0.278 0.000 2.685 136 D HA -0.029 4.645 4.640 0.057 0.000 0.254 136 D C 0.893 177.080 176.300 -0.189 0.000 1.414 136 D CA 0.660 54.465 54.000 -0.324 0.000 1.145 136 D CB 0.364 40.990 40.800 -0.290 0.000 0.941 136 D HN 0.651 nan 8.370 nan 0.000 0.250 137 E N 0.204 120.321 120.200 -0.138 0.000 2.501 137 E HA 0.184 4.568 4.350 0.057 0.000 0.200 137 E C -0.457 176.021 176.600 -0.204 0.000 1.016 137 E CA -0.197 56.120 56.400 -0.139 0.000 0.921 137 E CB 0.735 30.402 29.700 -0.055 0.000 1.034 137 E HN 0.088 nan 8.360 nan 0.000 0.468 138 D N 0.460 120.722 120.400 -0.230 0.000 2.374 138 D HA 0.355 5.029 4.640 0.057 0.000 0.239 138 D C -0.888 175.087 176.300 -0.543 0.000 0.991 138 D CA -0.542 53.279 54.000 -0.298 0.000 0.960 138 D CB 1.416 42.112 40.800 -0.172 0.000 1.284 138 D HN -0.050 nan 8.370 nan 0.000 0.512 139 F N 0.580 120.391 119.950 -0.232 0.000 2.482 139 F HA 0.392 4.953 4.527 0.057 0.000 0.331 139 F C -0.403 175.150 175.800 -0.412 0.000 1.115 139 F CA -0.748 57.171 58.000 -0.135 0.000 0.955 139 F CB 1.172 40.158 39.000 -0.023 0.000 1.136 139 F HN 0.125 nan 8.300 nan 0.000 0.452 140 Y N 2.814 123.244 120.300 0.216 0.000 2.409 140 Y HA 0.534 5.119 4.550 0.057 0.000 0.343 140 Y C -0.682 175.294 175.900 0.125 0.000 0.973 140 Y CA -1.196 56.982 58.100 0.131 0.000 1.064 140 Y CB 1.878 40.377 38.460 0.065 0.000 1.207 140 Y HN 0.415 nan 8.280 nan 0.000 0.452 141 L N 4.286 125.639 121.223 0.217 0.000 2.260 141 L HA 0.545 4.919 4.340 0.057 0.000 0.289 141 L C -1.026 175.935 176.870 0.150 0.000 1.057 141 L CA -0.411 54.524 54.840 0.159 0.000 0.811 141 L CB 0.468 42.595 42.059 0.113 0.000 1.184 141 L HN 0.436 nan 8.230 nan 0.000 0.429 142 V N 7.338 127.334 119.914 0.136 0.000 2.406 142 V HA 0.343 4.498 4.120 0.057 0.000 0.272 142 V C 0.349 176.514 176.094 0.119 0.000 1.043 142 V CA -0.220 62.145 62.300 0.108 0.000 0.915 142 V CB 0.884 32.762 31.823 0.092 0.000 0.988 142 V HN 0.586 nan 8.190 nan 0.000 0.466 143 I N 5.148 125.793 120.570 0.125 0.000 2.354 143 I HA 0.373 4.577 4.170 0.057 0.000 0.286 143 I C -0.577 175.653 176.117 0.189 0.000 1.007 143 I CA -0.478 60.902 61.300 0.132 0.000 1.167 143 I CB 1.047 39.110 38.000 0.105 0.000 1.320 143 I HN 0.651 nan 8.210 nan 0.000 0.458 144 H N 7.173 126.277 119.070 0.057 0.000 2.539 144 H HA 0.516 5.107 4.556 0.057 0.000 0.332 144 H C -0.715 174.626 175.328 0.022 0.000 1.031 144 H CA -0.573 55.507 56.048 0.053 0.000 1.206 144 H CB 1.120 30.904 29.762 0.037 0.000 1.446 144 H HN 0.450 nan 8.280 nan 0.000 0.496 145 I N 7.445 127.842 120.570 -0.289 0.000 2.533 145 I HA 0.124 4.329 4.170 0.057 0.000 0.284 145 I C 0.344 176.077 176.117 -0.640 0.000 1.109 145 I CA 0.177 61.256 61.300 -0.368 0.000 1.412 145 I CB -0.011 37.870 38.000 -0.199 0.000 1.396 145 I HN 0.548 nan 8.210 nan 0.000 0.543 146 I N 2.805 123.043 120.570 -0.554 0.000 3.174 146 I HA 0.630 4.834 4.170 0.057 0.000 0.313 146 I C -1.294 174.481 176.117 -0.570 0.000 1.155 146 I CA -0.984 60.048 61.300 -0.446 0.000 0.977 146 I CB 2.387 40.250 38.000 -0.229 0.000 1.248 146 I HN 0.397 nan 8.210 nan 0.000 0.453 147 H N 0.506 119.570 119.070 -0.011 0.000 2.717 147 H HA 0.524 5.114 4.556 0.057 0.000 0.366 147 H C -1.254 174.116 175.328 0.070 0.000 1.132 147 H CA -0.591 55.484 56.048 0.044 0.000 1.180 147 H CB 1.815 31.614 29.762 0.063 0.000 1.678 147 H HN 0.637 nan 8.280 nan 0.000 0.537 148 Q N 2.238 122.162 119.800 0.207 0.000 2.266 148 Q HA 0.561 4.935 4.340 0.057 0.000 0.261 148 Q C -1.143 174.988 176.000 0.218 0.000 0.985 148 Q CA -0.895 55.017 55.803 0.181 0.000 0.873 148 Q CB 1.405 30.227 28.738 0.140 0.000 1.306 148 Q HN 0.685 nan 8.270 nan 0.000 0.447 149 I N 3.514 124.225 120.570 0.236 0.000 2.437 149 I HA 0.235 4.440 4.170 0.057 0.000 0.279 149 I C -0.627 175.708 176.117 0.363 0.000 1.028 149 I CA -0.395 61.064 61.300 0.264 0.000 1.142 149 I CB 1.717 39.818 38.000 0.169 0.000 1.266 149 I HN 0.566 nan 8.210 nan 0.000 0.461 150 Q N 4.529 124.527 119.800 0.329 0.000 2.256 150 Q HA 0.391 4.765 4.340 0.057 0.000 0.257 150 Q C -0.418 175.793 176.000 0.351 0.000 0.936 150 Q CA -0.409 55.578 55.803 0.308 0.000 0.903 150 Q CB 1.999 30.849 28.738 0.186 0.000 1.263 150 Q HN 0.606 nan 8.270 nan 0.000 0.440 151 S N 3.525 119.398 115.700 0.288 0.000 2.548 151 S HA 0.143 4.648 4.470 0.057 0.000 0.277 151 S C 0.992 175.564 174.600 -0.046 0.000 1.315 151 S CA -0.492 57.674 58.200 -0.056 0.000 1.050 151 S CB 0.508 63.606 63.200 -0.170 0.000 0.918 151 S HN 0.788 nan 8.310 nan 0.000 0.497 152 M N 3.173 122.709 119.600 -0.107 0.000 2.541 152 M HA 0.240 4.755 4.480 0.057 0.000 0.252 152 M C 0.562 176.817 176.300 -0.076 0.000 1.125 152 M CA 0.815 56.080 55.300 -0.059 0.000 1.091 152 M CB -0.958 31.610 32.600 -0.053 0.000 1.420 152 M HN 0.532 nan 8.290 nan 0.000 0.486 153 K N 0.701 121.029 120.400 -0.119 0.000 2.156 153 K HA 0.312 4.666 4.320 0.057 0.000 0.250 153 K C 0.034 176.599 176.600 -0.059 0.000 0.955 153 K CA -0.314 55.916 56.287 -0.093 0.000 0.855 153 K CB 1.738 34.161 32.500 -0.129 0.000 1.101 153 K HN 0.127 nan 8.250 nan 0.000 0.434 154 T N 0.066 114.616 114.554 -0.007 0.000 2.913 154 T HA 0.047 4.431 4.350 0.057 0.000 0.297 154 T C 1.299 175.997 174.700 -0.003 0.000 1.029 154 T CA -0.774 61.349 62.100 0.038 0.000 1.104 154 T CB 0.785 69.726 68.868 0.122 0.000 0.964 154 T HN 0.473 nan 8.240 nan 0.000 0.532 155 L N 1.746 122.965 121.223 -0.006 0.000 1.997 155 L HA -0.089 4.285 4.340 0.057 0.000 0.216 155 L C 2.187 179.054 176.870 -0.005 0.000 1.074 155 L CA 1.887 56.675 54.840 -0.085 0.000 0.763 155 L CB -1.217 40.825 42.059 -0.029 0.000 0.890 155 L HN 0.904 nan 8.230 nan 0.000 0.434 156 W N 0.325 121.565 121.300 -0.100 0.000 2.317 156 W HA -0.260 4.435 4.660 0.057 0.000 0.318 156 W C 2.330 178.812 176.519 -0.060 0.000 1.227 156 W CA 1.601 58.909 57.345 -0.063 0.000 1.269 156 W CB 0.046 29.491 29.460 -0.026 0.000 1.155 156 W HN 0.248 nan 8.180 nan 0.000 0.484 157 E N 0.550 120.732 120.200 -0.031 0.000 2.160 157 E HA -0.214 4.170 4.350 0.057 0.000 0.195 157 E C 2.206 178.698 176.600 -0.180 0.000 0.991 157 E CA 1.270 57.586 56.400 -0.140 0.000 0.810 157 E CB -0.782 28.887 29.700 -0.051 0.000 0.742 157 E HN 0.462 nan 8.360 nan 0.000 0.466 158 L N 0.426 121.545 121.223 -0.173 0.000 1.994 158 L HA -0.140 4.234 4.340 0.057 0.000 0.208 158 L C 2.334 179.099 176.870 -0.176 0.000 1.071 158 L CA 1.281 56.012 54.840 -0.182 0.000 0.745 158 L CB -0.545 41.344 42.059 -0.283 0.000 0.892 158 L HN 0.068 nan 8.230 nan 0.000 0.431 159 V N -2.887 116.887 119.914 -0.233 0.000 3.623 159 V HA 0.072 4.226 4.120 0.057 0.000 0.274 159 V C 0.512 176.448 176.094 -0.263 0.000 1.244 159 V CA 0.095 62.287 62.300 -0.181 0.000 1.182 159 V CB -1.224 30.523 31.823 -0.127 0.000 0.925 159 V HN 0.651 nan 8.190 nan 0.000 0.462 160 N N 1.402 119.916 118.700 -0.310 0.000 2.754 160 N HA -0.233 4.541 4.740 0.057 0.000 0.248 160 N C 0.502 175.708 175.510 -0.505 0.000 1.093 160 N CA 1.162 54.022 53.050 -0.317 0.000 0.699 160 N CB -1.364 37.017 38.487 -0.177 0.000 1.016 160 N HN 0.866 nan 8.380 nan 0.000 0.552 161 K N -1.907 117.891 120.400 -1.004 0.000 3.104 161 K HA -0.252 4.102 4.320 0.057 0.000 0.285 161 K C -0.326 175.671 176.600 -1.006 0.000 1.136 161 K CA 1.545 56.808 56.287 -1.706 0.000 0.842 161 K CB -0.784 31.253 32.500 -0.772 0.000 1.217 161 K HN 0.520 nan 8.250 nan 0.000 0.467 162 D N -0.401 119.640 120.400 -0.598 0.000 2.317 162 D HA 0.187 4.862 4.640 0.057 0.000 0.234 162 D C -1.622 174.687 176.300 0.016 0.000 1.112 162 D CA -2.546 51.349 54.000 -0.174 0.000 0.840 162 D CB 1.404 42.146 40.800 -0.096 0.000 1.078 162 D HN -0.218 nan 8.370 nan 0.000 0.486 163 P HA -0.118 nan 4.420 nan 0.000 0.216 163 P C 0.893 178.334 177.300 0.235 0.000 1.153 163 P CA 0.739 64.063 63.100 0.373 0.000 0.848 163 P CB 0.216 32.166 31.700 0.417 0.000 0.787 164 K N 0.011 120.502 120.400 0.152 0.000 2.632 164 K HA -0.090 4.264 4.320 0.057 0.000 0.196 164 K C 1.180 177.841 176.600 0.102 0.000 1.023 164 K CA 0.749 57.103 56.287 0.113 0.000 1.098 164 K CB -0.345 32.198 32.500 0.072 0.000 0.862 164 K HN 0.243 nan 8.250 nan 0.000 0.504 165 E N -1.135 119.134 120.200 0.115 0.000 2.576 165 E HA -0.006 4.379 4.350 0.057 0.000 0.214 165 E C 1.405 178.107 176.600 0.170 0.000 0.859 165 E CA -0.010 56.456 56.400 0.110 0.000 1.399 165 E CB 0.144 29.874 29.700 0.050 0.000 1.374 165 E HN 0.126 nan 8.360 nan 0.000 0.718 166 L N 1.815 123.151 121.223 0.189 0.000 2.044 166 L HA 0.023 4.397 4.340 0.057 0.000 0.205 166 L C 2.260 179.295 176.870 0.276 0.000 1.075 166 L CA 1.967 56.952 54.840 0.243 0.000 0.747 166 L CB -0.114 42.128 42.059 0.305 0.000 0.903 166 L HN 0.179 nan 8.230 nan 0.000 0.435 167 E N -0.465 119.870 120.200 0.224 0.000 2.153 167 E HA -0.263 4.121 4.350 0.057 0.000 0.194 167 E C 1.901 178.631 176.600 0.216 0.000 0.988 167 E CA 1.422 57.943 56.400 0.202 0.000 0.811 167 E CB -0.039 29.760 29.700 0.164 0.000 0.746 167 E HN 0.630 nan 8.360 nan 0.000 0.466 168 E N -0.218 120.101 120.200 0.199 0.000 2.051 168 E HA -0.202 4.183 4.350 0.057 0.000 0.192 168 E C 1.867 178.577 176.600 0.185 0.000 0.991 168 E CA 1.143 57.639 56.400 0.159 0.000 0.799 168 E CB -0.271 29.508 29.700 0.132 0.000 0.748 168 E HN 0.303 nan 8.360 nan 0.000 0.449 169 F N 1.319 121.352 119.950 0.138 0.000 2.095 169 F HA -0.238 4.324 4.527 0.057 0.000 0.298 169 F C 1.971 177.927 175.800 0.261 0.000 1.104 169 F CA 1.052 59.175 58.000 0.205 0.000 1.232 169 F CB -0.003 39.142 39.000 0.240 0.000 0.987 169 F HN -0.019 nan 8.300 nan 0.000 0.475 170 L N -0.123 121.388 121.223 0.479 0.000 2.191 170 L HA -0.226 4.148 4.340 0.057 0.000 0.212 170 L C 2.194 179.336 176.870 0.454 0.000 1.103 170 L CA 1.606 56.720 54.840 0.457 0.000 0.769 170 L CB -1.263 40.984 42.059 0.313 0.000 0.908 170 L HN 0.306 nan 8.230 nan 0.000 0.438 171 M N -1.231 118.543 119.600 0.290 0.000 2.134 171 M HA -0.116 4.398 4.480 0.057 0.000 0.262 171 M C 2.195 178.490 176.300 -0.009 0.000 1.076 171 M CA 1.936 57.337 55.300 0.169 0.000 1.143 171 M CB -0.787 31.894 32.600 0.135 0.000 1.346 171 M HN 0.362 nan 8.290 nan 0.000 0.421 172 T N -2.281 112.199 114.554 -0.124 0.000 2.977 172 T HA -0.142 4.242 4.350 0.057 0.000 0.271 172 T C 1.095 175.557 174.700 -0.397 0.000 1.105 172 T CA 1.070 62.992 62.100 -0.297 0.000 1.116 172 T CB -0.386 68.214 68.868 -0.448 0.000 0.878 172 T HN 0.379 nan 8.240 nan 0.000 0.509 173 H N -0.043 118.962 119.070 -0.109 0.000 2.475 173 H HA 0.399 4.989 4.556 0.057 0.000 0.276 173 H C 1.656 177.018 175.328 0.057 0.000 1.126 173 H CA -0.261 55.750 56.048 -0.062 0.000 1.023 173 H CB 0.399 30.048 29.762 -0.188 0.000 1.669 173 H HN 0.505 nan 8.280 nan 0.000 0.573 174 K N 1.175 121.627 120.400 0.087 0.000 2.057 174 K HA -0.143 4.212 4.320 0.057 0.000 0.207 174 K C 1.370 177.969 176.600 -0.002 0.000 1.049 174 K CA 1.279 57.552 56.287 -0.023 0.000 0.931 174 K CB 0.416 32.589 32.500 -0.546 0.000 0.714 174 K HN 0.019 nan 8.250 nan 0.000 0.440 175 E N 0.802 121.010 120.200 0.013 0.000 2.085 175 E HA -0.151 4.233 4.350 0.057 0.000 0.194 175 E C 1.276 177.945 176.600 0.114 0.000 0.994 175 E CA 1.153 57.580 56.400 0.046 0.000 0.801 175 E CB -0.111 29.620 29.700 0.052 0.000 0.743 175 E HN 0.489 nan 8.360 nan 0.000 0.453 176 N N 0.003 118.812 118.700 0.182 0.000 2.171 176 N HA 0.027 4.801 4.740 0.057 0.000 0.212 176 N C 0.317 175.995 175.510 0.280 0.000 1.184 176 N CA -0.217 52.974 53.050 0.236 0.000 0.888 176 N CB 0.846 39.490 38.487 0.261 0.000 1.038 176 N HN 0.061 nan 8.380 nan 0.000 0.517 177 L N 1.756 123.134 121.223 0.258 0.000 2.453 177 L HA 0.218 4.592 4.340 0.057 0.000 0.272 177 L C -0.154 176.741 176.870 0.041 0.000 1.182 177 L CA 0.722 55.619 54.840 0.095 0.000 0.858 177 L CB 0.230 42.429 42.059 0.234 0.000 1.120 177 L HN -0.044 nan 8.230 nan 0.000 0.474 178 M N 5.324 124.860 119.600 -0.108 0.000 2.631 178 M HA 0.518 5.032 4.480 0.057 0.000 0.288 178 M C -1.445 174.844 176.300 -0.019 0.000 1.260 178 M CA -0.662 54.630 55.300 -0.014 0.000 0.842 178 M CB 2.265 34.857 32.600 -0.013 0.000 1.743 178 M HN 0.389 nan 8.290 nan 0.000 0.461 179 L N 1.493 122.754 121.223 0.064 0.000 2.410 179 L HA 0.571 4.945 4.340 0.057 0.000 0.270 179 L C -0.760 176.190 176.870 0.133 0.000 0.983 179 L CA -0.701 54.192 54.840 0.089 0.000 0.822 179 L CB 2.205 44.326 42.059 0.104 0.000 1.285 179 L HN 0.593 nan 8.230 nan 0.000 0.409 180 K N 2.026 122.489 120.400 0.104 0.000 2.235 180 K HA 0.187 4.541 4.320 0.057 0.000 0.266 180 K C -0.721 175.964 176.600 0.141 0.000 0.980 180 K CA -0.611 55.743 56.287 0.112 0.000 0.849 180 K CB 1.396 33.944 32.500 0.079 0.000 1.098 180 K HN 0.465 nan 8.250 nan 0.000 0.445 181 D N 6.346 126.863 120.400 0.195 0.000 2.508 181 D HA 0.021 4.695 4.640 0.057 0.000 0.224 181 D C 1.244 177.638 176.300 0.157 0.000 1.171 181 D CA -0.376 53.740 54.000 0.193 0.000 1.006 181 D CB 0.004 41.011 40.800 0.346 0.000 1.073 181 D HN 0.661 nan 8.370 nan 0.000 0.513 182 I N -0.335 120.314 120.570 0.133 0.000 3.241 182 I HA -0.008 4.196 4.170 0.057 0.000 0.280 182 I C 1.372 177.659 176.117 0.285 0.000 1.320 182 I CA 0.375 61.789 61.300 0.189 0.000 1.413 182 I CB -0.048 38.070 38.000 0.198 0.000 1.060 182 I HN 0.174 nan 8.210 nan 0.000 0.500 183 A N 0.405 123.306 122.820 0.135 0.000 2.275 183 A HA 0.265 4.619 4.320 0.057 0.000 0.212 183 A C 1.107 179.007 177.584 0.526 0.000 1.201 183 A CA 0.210 52.313 52.037 0.110 0.000 0.843 183 A CB -0.106 18.503 19.000 -0.652 0.000 0.873 183 A HN 0.462 nan 8.150 nan 0.000 0.492 184 S N -0.305 115.617 115.700 0.370 0.000 2.503 184 S HA 0.519 5.023 4.470 0.057 0.000 0.301 184 S C -1.778 172.823 174.600 0.002 0.000 1.087 184 S CA -1.522 56.764 58.200 0.142 0.000 1.042 184 S CB 1.644 64.896 63.200 0.087 0.000 1.043 184 S HN 0.079 nan 8.310 nan 0.000 0.489 185 P HA -0.073 nan 4.420 nan 0.000 0.218 185 P C 1.156 178.386 177.300 -0.118 0.000 1.148 185 P CA 1.055 64.050 63.100 -0.174 0.000 0.822 185 P CB 0.046 31.507 31.700 -0.399 0.000 0.784 186 L N -1.410 119.708 121.223 -0.175 0.000 2.599 186 L HA 0.094 4.468 4.340 0.057 0.000 0.230 186 L C 0.632 177.485 176.870 -0.029 0.000 1.141 186 L CA 0.099 54.888 54.840 -0.086 0.000 0.877 186 L CB -0.854 41.156 42.059 -0.082 0.000 1.009 186 L HN -0.139 nan 8.230 nan 0.000 0.447 187 K N -0.077 120.329 120.400 0.011 0.000 2.938 187 K HA -0.183 4.171 4.320 0.057 0.000 0.250 187 K C 0.279 176.890 176.600 0.017 0.000 0.939 187 K CA 0.628 56.943 56.287 0.046 0.000 0.694 187 K CB -2.348 30.182 32.500 0.050 0.000 1.267 187 K HN 0.205 nan 8.250 nan 0.000 0.483 188 T N 0.216 114.766 114.554 -0.007 0.000 2.933 188 T HA 0.124 4.508 4.350 0.057 0.000 0.306 188 T C 0.639 175.198 174.700 -0.235 0.000 1.045 188 T CA -0.188 61.831 62.100 -0.135 0.000 1.143 188 T CB 0.593 69.355 68.868 -0.175 0.000 1.003 188 T HN 0.031 nan 8.240 nan 0.000 0.540 189 V N 4.279 124.023 119.914 -0.283 0.000 2.539 189 V HA 0.489 4.644 4.120 0.057 0.000 0.292 189 V C -0.669 175.191 176.094 -0.389 0.000 1.045 189 V CA -0.556 61.625 62.300 -0.198 0.000 0.945 189 V CB 0.803 32.582 31.823 -0.074 0.000 0.993 189 V HN 0.763 nan 8.190 nan 0.000 0.464 190 Y N 1.841 122.145 120.300 0.006 0.000 2.605 190 Y HA 0.561 5.146 4.550 0.057 0.000 0.343 190 Y C 0.076 175.972 175.900 -0.008 0.000 1.036 190 Y CA -1.183 56.900 58.100 -0.029 0.000 1.065 190 Y CB 1.997 40.398 38.460 -0.098 0.000 1.288 190 Y HN 0.385 nan 8.280 nan 0.000 0.481 191 K N 3.526 124.036 120.400 0.183 0.000 2.394 191 K HA 0.345 4.699 4.320 0.057 0.000 0.260 191 K C -2.843 173.812 176.600 0.092 0.000 0.967 191 K CA -2.077 54.289 56.287 0.132 0.000 0.855 191 K CB 1.391 33.966 32.500 0.125 0.000 1.101 191 K HN 0.261 nan 8.250 nan 0.000 0.433 192 P HA -0.043 nan 4.420 nan 0.000 0.264 192 P C -0.272 176.970 177.300 -0.097 0.000 1.193 192 P CA -0.220 62.848 63.100 -0.053 0.000 0.763 192 P CB 0.509 32.177 31.700 -0.052 0.000 0.810 193 C N 4.443 123.609 119.300 -0.224 0.000 2.536 193 C HA 0.485 4.979 4.460 0.057 0.000 0.396 193 C C 0.412 175.177 174.990 -0.375 0.000 1.279 193 C CA 0.131 59.053 59.018 -0.160 0.000 2.148 193 C CB -1.152 26.497 27.740 -0.150 0.000 2.584 193 C HN 0.474 nan 8.230 nan 0.000 0.579 194 F N 0.697 120.632 119.950 -0.026 0.000 2.577 194 F HA 0.340 4.902 4.527 0.057 0.000 0.318 194 F C 0.324 176.099 175.800 -0.042 0.000 1.065 194 F CA -0.779 57.210 58.000 -0.018 0.000 0.929 194 F CB 0.934 39.933 39.000 -0.002 0.000 1.237 194 F HN 0.428 nan 8.300 nan 0.000 0.468 195 E N 2.112 122.408 120.200 0.160 0.000 2.037 195 E HA -0.051 4.334 4.350 0.057 0.000 0.253 195 E C -0.124 176.506 176.600 0.050 0.000 1.265 195 E CA 0.192 56.635 56.400 0.071 0.000 0.972 195 E CB -0.238 29.509 29.700 0.078 0.000 1.054 195 E HN 0.453 nan 8.360 nan 0.000 0.432 196 E N 2.983 123.153 120.200 -0.049 0.000 3.048 196 E HA -0.291 4.093 4.350 0.057 0.000 0.280 196 E C -0.489 176.005 176.600 -0.176 0.000 0.905 196 E CA 0.527 56.784 56.400 -0.238 0.000 0.977 196 E CB 0.161 29.573 29.700 -0.479 0.000 0.954 196 E HN 0.635 nan 8.360 nan 0.000 0.500 197 Y N -0.216 120.076 120.300 -0.013 0.000 4.798 197 Y HA -0.291 4.293 4.550 0.057 0.000 0.237 197 Y C 0.109 175.991 175.900 -0.030 0.000 1.017 197 Y CA 1.278 59.350 58.100 -0.046 0.000 2.010 197 Y CB -2.377 36.032 38.460 -0.086 0.000 1.582 197 Y HN 0.510 nan 8.280 nan 0.000 0.621 198 T N -1.460 113.159 114.554 0.108 0.000 2.865 198 T HA 0.505 4.889 4.350 0.057 0.000 0.294 198 T C 0.702 175.437 174.700 0.059 0.000 1.119 198 T CA -1.061 61.089 62.100 0.084 0.000 1.007 198 T CB 2.395 71.322 68.868 0.099 0.000 1.225 198 T HN 0.001 nan 8.240 nan 0.000 0.515 199 K N 0.139 120.575 120.400 0.060 0.000 2.399 199 K HA 0.202 4.556 4.320 0.057 0.000 0.204 199 K C 0.403 177.172 176.600 0.281 0.000 1.023 199 K CA -0.119 56.187 56.287 0.031 0.000 1.127 199 K CB 0.520 33.008 32.500 -0.021 0.000 0.856 199 K HN 0.234 nan 8.250 nan 0.000 0.514 200 K N 3.278 123.843 120.400 0.274 0.000 2.312 200 K HA 0.138 4.493 4.320 0.057 0.000 0.287 200 K C -2.520 174.261 176.600 0.301 0.000 1.062 200 K CA -1.903 54.532 56.287 0.246 0.000 0.934 200 K CB 0.755 33.338 32.500 0.139 0.000 1.027 200 K HN -0.130 nan 8.250 nan 0.000 0.478 201 P HA 0.119 nan 4.420 nan 0.000 0.282 201 P C -1.272 175.923 177.300 -0.175 0.000 1.249 201 P CA -0.385 62.533 63.100 -0.304 0.000 0.806 201 P CB 0.882 32.341 31.700 -0.401 0.000 0.984 202 K N 3.071 123.329 120.400 -0.237 0.000 2.336 202 K HA 0.281 4.635 4.320 0.057 0.000 0.290 202 K C 0.020 176.556 176.600 -0.106 0.000 1.067 202 K CA 0.086 56.295 56.287 -0.131 0.000 0.962 202 K CB -0.179 32.236 32.500 -0.141 0.000 1.008 202 K HN 0.457 nan 8.250 nan 0.000 0.467 203 L N 1.991 123.178 121.223 -0.061 0.000 2.309 203 L HA 0.533 4.907 4.340 0.057 0.000 0.261 203 L C -0.559 176.272 176.870 -0.065 0.000 1.021 203 L CA -1.084 53.709 54.840 -0.079 0.000 0.823 203 L CB 2.093 44.078 42.059 -0.124 0.000 1.366 203 L HN 0.488 nan 8.230 nan 0.000 0.423 204 D N -0.613 119.699 120.400 -0.146 0.000 2.764 204 D HA 0.196 4.870 4.640 0.057 0.000 0.227 204 D C -0.105 176.047 176.300 -0.247 0.000 1.347 204 D CA -0.461 53.468 54.000 -0.118 0.000 0.953 204 D CB 1.606 42.381 40.800 -0.043 0.000 1.476 204 D HN 0.548 nan 8.370 nan 0.000 0.585 205 H N 0.434 119.487 119.070 -0.029 0.000 2.547 205 H HA 0.003 4.593 4.556 0.057 0.000 0.266 205 H C 0.688 175.980 175.328 -0.060 0.000 0.988 205 H CA 0.130 56.152 56.048 -0.043 0.000 1.147 205 H CB 0.467 30.219 29.762 -0.016 0.000 1.365 205 H HN 0.309 nan 8.280 nan 0.000 0.589 206 N N 2.551 121.252 118.700 0.001 0.000 2.348 206 N HA -0.116 4.658 4.740 0.057 0.000 0.286 206 N C 0.844 176.316 175.510 -0.063 0.000 1.371 206 N CA 0.347 53.378 53.050 -0.032 0.000 0.966 206 N CB 0.306 38.756 38.487 -0.062 0.000 1.356 206 N HN 0.438 nan 8.380 nan 0.000 0.490 207 Q N 1.441 121.219 119.800 -0.037 0.000 2.308 207 Q HA -0.178 4.196 4.340 0.057 0.000 0.209 207 Q C 0.786 176.751 176.000 -0.059 0.000 0.985 207 Q CA 1.168 56.941 55.803 -0.050 0.000 0.881 207 Q CB 0.236 28.954 28.738 -0.033 0.000 0.917 207 Q HN 0.583 nan 8.270 nan 0.000 0.443 208 E N 0.276 120.438 120.200 -0.062 0.000 2.152 208 E HA -0.087 4.297 4.350 0.057 0.000 0.192 208 E C 1.905 178.457 176.600 -0.080 0.000 0.983 208 E CA 0.693 57.055 56.400 -0.064 0.000 0.818 208 E CB -0.035 29.622 29.700 -0.071 0.000 0.758 208 E HN 0.469 nan 8.360 nan 0.000 0.467 209 I N 0.496 120.992 120.570 -0.124 0.000 2.202 209 I HA -0.209 3.995 4.170 0.057 0.000 0.242 209 I C 2.325 178.413 176.117 -0.048 0.000 1.091 209 I CA 0.703 61.904 61.300 -0.166 0.000 1.368 209 I CB -0.341 37.425 38.000 -0.390 0.000 1.058 209 I HN -0.089 nan 8.210 nan 0.000 0.410 210 V N 1.133 121.004 119.914 -0.073 0.000 2.490 210 V HA -0.273 3.882 4.120 0.057 0.000 0.250 210 V C 2.496 178.620 176.094 0.051 0.000 1.061 210 V CA 1.840 64.129 62.300 -0.019 0.000 1.064 210 V CB -0.675 31.087 31.823 -0.101 0.000 0.670 210 V HN 0.358 nan 8.190 nan 0.000 0.461 211 K N -0.332 120.076 120.400 0.013 0.000 2.076 211 K HA -0.137 4.217 4.320 0.057 0.000 0.204 211 K C 2.048 178.698 176.600 0.082 0.000 1.051 211 K CA 1.351 57.657 56.287 0.032 0.000 0.949 211 K CB -0.679 31.819 32.500 -0.004 0.000 0.726 211 K HN 0.428 nan 8.250 nan 0.000 0.443 212 Y N -0.374 119.847 120.300 -0.133 0.000 2.030 212 Y HA -0.253 4.331 4.550 0.057 0.000 0.274 212 Y C 1.780 177.546 175.900 -0.223 0.000 1.153 212 Y CA 2.495 60.419 58.100 -0.293 0.000 1.115 212 Y CB -0.675 37.425 38.460 -0.600 0.000 0.969 212 Y HN 0.180 nan 8.280 nan 0.000 0.488 213 W N -1.491 119.920 121.300 0.184 0.000 2.374 213 W HA -0.235 4.460 4.660 0.057 0.000 0.288 213 W C 2.410 179.128 176.519 0.331 0.000 1.218 213 W CA 1.339 58.801 57.345 0.196 0.000 1.245 213 W CB -0.836 28.740 29.460 0.193 0.000 1.126 213 W HN 0.253 nan 8.180 nan 0.000 0.545 214 Y N 1.271 121.750 120.300 0.298 0.000 2.200 214 Y HA -0.230 4.355 4.550 0.057 0.000 0.290 214 Y C 2.450 178.437 175.900 0.145 0.000 1.137 214 Y CA 1.870 60.104 58.100 0.223 0.000 1.163 214 Y CB -0.693 37.821 38.460 0.090 0.000 0.988 214 Y HN -0.153 nan 8.280 nan 0.000 0.518 215 N N -0.493 118.385 118.700 0.298 0.000 2.396 215 N HA -0.213 4.561 4.740 0.057 0.000 0.180 215 N C 1.666 177.123 175.510 -0.089 0.000 1.028 215 N CA 0.962 54.062 53.050 0.083 0.000 0.893 215 N CB -0.429 38.081 38.487 0.037 0.000 0.967 215 N HN 0.559 nan 8.380 nan 0.000 0.440 216 Y N 1.092 121.263 120.300 -0.215 0.000 2.200 216 Y HA -0.150 4.435 4.550 0.057 0.000 0.290 216 Y C 1.980 177.745 175.900 -0.224 0.000 1.137 216 Y CA 1.832 59.752 58.100 -0.300 0.000 1.163 216 Y CB -0.643 37.690 38.460 -0.210 0.000 0.988 216 Y HN 0.167 nan 8.280 nan 0.000 0.518 217 H N -0.267 118.684 119.070 -0.199 0.000 2.319 217 H HA -0.162 4.428 4.556 0.057 0.000 0.299 217 H C 2.305 177.458 175.328 -0.292 0.000 1.092 217 H CA 2.519 58.459 56.048 -0.180 0.000 1.302 217 H CB -0.353 29.503 29.762 0.156 0.000 1.373 217 H HN 0.339 nan 8.280 nan 0.000 0.497 218 I N 0.213 120.614 120.570 -0.282 0.000 2.072 218 I HA -0.217 3.987 4.170 0.057 0.000 0.235 218 I C 2.381 178.357 176.117 -0.234 0.000 1.058 218 I CA 1.187 62.316 61.300 -0.286 0.000 1.320 218 I CB -0.289 37.451 38.000 -0.432 0.000 1.047 218 I HN 0.242 nan 8.210 nan 0.000 0.397 219 E N 0.549 120.601 120.200 -0.247 0.000 2.284 219 E HA -0.285 4.100 4.350 0.057 0.000 0.200 219 E C 2.099 178.503 176.600 -0.326 0.000 1.008 219 E CA 1.390 57.654 56.400 -0.226 0.000 0.829 219 E CB -0.144 29.436 29.700 -0.200 0.000 0.744 219 E HN 0.339 nan 8.360 nan 0.000 0.491 220 R N -1.098 119.073 120.500 -0.548 0.000 2.103 220 R HA -0.019 4.355 4.340 0.057 0.000 0.212 220 R C 1.356 177.175 176.300 -0.801 0.000 1.107 220 R CA 1.081 56.702 56.100 -0.799 0.000 1.025 220 R CB -0.164 29.294 30.300 -1.403 0.000 0.929 220 R HN 0.068 nan 8.270 nan 0.000 0.456 221 Y N -2.726 117.225 120.300 -0.581 0.000 2.444 221 Y HA 0.317 4.902 4.550 0.057 0.000 0.252 221 Y C -0.101 175.183 175.900 -1.028 0.000 1.091 221 Y CA -0.690 56.874 58.100 -0.894 0.000 1.276 221 Y CB 0.363 38.079 38.460 -1.241 0.000 1.170 221 Y HN 0.035 nan 8.280 nan 0.000 0.517 222 W N 0.024 121.351 121.300 0.045 0.000 1.513 222 W HA 0.368 5.062 4.660 0.057 0.000 0.311 222 W C 0.638 177.144 176.519 -0.021 0.000 0.821 222 W CA -0.541 56.828 57.345 0.039 0.000 2.622 222 W CB 0.188 29.686 29.460 0.063 0.000 1.907 222 W HN -0.219 nan 8.180 nan 0.000 0.562 223 N N 2.595 121.340 118.700 0.076 0.000 2.652 223 N HA 0.003 4.777 4.740 0.057 0.000 0.259 223 N C -0.297 175.253 175.510 0.065 0.000 1.240 223 N CA 0.621 53.692 53.050 0.035 0.000 0.951 223 N CB 0.108 38.572 38.487 -0.038 0.000 1.281 223 N HN 0.179 nan 8.380 nan 0.000 0.507 224 T N -3.605 111.021 114.554 0.119 0.000 2.912 224 T HA 0.394 4.779 4.350 0.057 0.000 0.299 224 T C -2.198 172.568 174.700 0.112 0.000 1.052 224 T CA -1.658 60.502 62.100 0.101 0.000 0.996 224 T CB 2.370 71.305 68.868 0.110 0.000 1.070 224 T HN -0.268 nan 8.240 nan 0.000 0.465 225 P HA -0.147 nan 4.420 nan 0.000 0.218 225 P C 0.990 178.342 177.300 0.088 0.000 1.152 225 P CA 1.404 64.548 63.100 0.073 0.000 0.857 225 P CB 0.162 31.891 31.700 0.048 0.000 0.787 226 E N -1.266 118.988 120.200 0.091 0.000 2.190 226 E HA 0.050 4.434 4.350 0.057 0.000 0.191 226 E C 2.099 178.766 176.600 0.112 0.000 0.978 226 E CA 0.777 57.228 56.400 0.086 0.000 0.839 226 E CB -0.591 29.151 29.700 0.070 0.000 0.787 226 E HN 0.119 nan 8.360 nan 0.000 0.473 227 A N 1.509 124.431 122.820 0.170 0.000 1.930 227 A HA -0.194 4.161 4.320 0.057 0.000 0.217 227 A C 1.879 179.591 177.584 0.214 0.000 1.175 227 A CA 1.320 53.507 52.037 0.250 0.000 0.627 227 A CB -0.188 19.092 19.000 0.466 0.000 0.815 227 A HN 0.023 nan 8.150 nan 0.000 0.443 228 K N -0.595 119.942 120.400 0.228 0.000 2.062 228 K HA 0.061 4.415 4.320 0.057 0.000 0.205 228 K C 1.973 178.781 176.600 0.346 0.000 1.051 228 K CA 0.993 57.446 56.287 0.276 0.000 0.941 228 K CB -0.315 32.327 32.500 0.237 0.000 0.719 228 K HN 0.476 nan 8.250 nan 0.000 0.440 229 L N 1.477 122.827 121.223 0.210 0.000 2.017 229 L HA -0.232 4.142 4.340 0.057 0.000 0.208 229 L C 2.532 179.488 176.870 0.145 0.000 1.073 229 L CA 1.586 56.528 54.840 0.169 0.000 0.745 229 L CB -0.195 41.915 42.059 0.084 0.000 0.894 229 L HN 0.304 nan 8.230 nan 0.000 0.432 230 E N -0.518 119.718 120.200 0.061 0.000 2.051 230 E HA -0.307 4.078 4.350 0.057 0.000 0.192 230 E C 2.114 178.654 176.600 -0.099 0.000 0.991 230 E CA 1.603 57.970 56.400 -0.054 0.000 0.799 230 E CB -0.285 29.336 29.700 -0.131 0.000 0.748 230 E HN 0.462 nan 8.360 nan 0.000 0.449 231 F N 0.255 120.070 119.950 -0.225 0.000 2.063 231 F HA -0.326 4.236 4.527 0.057 0.000 0.298 231 F C 1.953 177.687 175.800 -0.111 0.000 1.109 231 F CA 2.011 59.858 58.000 -0.255 0.000 1.212 231 F CB -0.414 38.431 39.000 -0.258 0.000 0.973 231 F HN 0.122 nan 8.300 nan 0.000 0.480 232 Y N 0.031 120.500 120.300 0.283 0.000 2.242 232 Y HA -0.126 4.458 4.550 0.057 0.000 0.291 232 Y C 2.612 178.536 175.900 0.040 0.000 1.137 232 Y CA 1.517 59.753 58.100 0.227 0.000 1.181 232 Y CB -0.464 38.132 38.460 0.226 0.000 0.989 232 Y HN -0.056 nan 8.280 nan 0.000 0.527 233 R N 0.110 120.677 120.500 0.112 0.000 2.081 233 R HA -0.183 4.191 4.340 0.057 0.000 0.235 233 R C 2.216 178.433 176.300 -0.138 0.000 1.131 233 R CA 1.631 57.727 56.100 -0.005 0.000 0.960 233 R CB -0.223 30.054 30.300 -0.039 0.000 0.856 233 R HN 0.279 nan 8.270 nan 0.000 0.436 234 K N -0.144 120.068 120.400 -0.313 0.000 1.984 234 K HA -0.100 4.254 4.320 0.057 0.000 0.209 234 K C 1.567 177.751 176.600 -0.694 0.000 1.046 234 K CA 1.546 57.458 56.287 -0.625 0.000 0.934 234 K CB 0.015 31.912 32.500 -1.006 0.000 0.717 234 K HN -0.004 nan 8.250 nan 0.000 0.438 235 F N -0.158 119.574 119.950 -0.364 0.000 2.582 235 F HA 0.313 4.874 4.527 0.057 0.000 0.290 235 F C 1.142 176.895 175.800 -0.077 0.000 1.115 235 F CA 0.533 58.357 58.000 -0.293 0.000 1.445 235 F CB 0.285 38.940 39.000 -0.574 0.000 1.126 235 F HN 0.329 nan 8.300 nan 0.000 0.574 236 G N 0.670 109.559 108.800 0.148 0.000 2.757 236 G HA2 -0.182 3.812 3.960 0.057 0.000 0.638 236 G HA3 -0.182 3.812 3.960 0.057 0.000 0.638 236 G C -0.565 174.550 174.900 0.357 0.000 1.344 236 G CA -0.986 44.270 45.100 0.261 0.000 0.855 236 G HN 0.183 nan 8.290 nan 0.000 0.537 237 Q N -0.960 119.076 119.800 0.393 0.000 2.474 237 Q HA 0.381 4.756 4.340 0.057 0.000 0.256 237 Q C 0.956 176.962 176.000 0.010 0.000 1.048 237 Q CA -0.144 55.856 55.803 0.328 0.000 0.922 237 Q CB 0.788 29.674 28.738 0.245 0.000 1.288 237 Q HN 0.694 nan 8.270 nan 0.000 0.484 238 V N 1.582 121.232 119.914 -0.440 0.000 2.617 238 V HA -0.086 4.068 4.120 0.057 0.000 0.304 238 V C 0.238 176.191 176.094 -0.234 0.000 1.040 238 V CA 0.280 62.190 62.300 -0.650 0.000 1.149 238 V CB 0.285 31.607 31.823 -0.834 0.000 0.914 238 V HN 0.671 nan 8.190 nan 0.000 0.487 239 D N 4.193 124.490 120.400 -0.171 0.000 2.428 239 D HA 0.272 4.947 4.640 0.057 0.000 0.221 239 D C 0.879 177.083 176.300 -0.160 0.000 1.123 239 D CA -0.257 53.695 54.000 -0.081 0.000 0.869 239 D CB 1.104 41.915 40.800 0.018 0.000 1.032 239 D HN 0.489 nan 8.370 nan 0.000 0.506 240 L N 2.883 124.046 121.223 -0.099 0.000 2.456 240 L HA -0.059 4.315 4.340 0.057 0.000 0.224 240 L C 2.016 178.853 176.870 -0.056 0.000 1.148 240 L CA 0.653 55.439 54.840 -0.091 0.000 0.825 240 L CB -0.126 41.900 42.059 -0.056 0.000 0.937 240 L HN 0.203 nan 8.230 nan 0.000 0.450 241 K N 0.592 120.986 120.400 -0.009 0.000 2.366 241 K HA -0.065 4.289 4.320 0.057 0.000 0.198 241 K C 0.767 177.390 176.600 0.037 0.000 1.044 241 K CA 0.162 56.493 56.287 0.075 0.000 0.973 241 K CB 0.023 32.635 32.500 0.187 0.000 0.767 241 K HN 0.484 nan 8.250 nan 0.000 0.475 242 Q N 2.098 121.713 119.800 -0.309 0.000 2.327 242 Q HA 0.216 4.591 4.340 0.057 0.000 0.254 242 Q C -2.528 173.249 176.000 -0.371 0.000 0.952 242 Q CA -1.987 53.370 55.803 -0.742 0.000 0.884 242 Q CB 0.558 28.403 28.738 -1.488 0.000 1.224 242 Q HN -0.148 nan 8.270 nan 0.000 0.422 243 P HA 0.207 nan 4.420 nan 0.000 0.284 243 P C -1.269 175.859 177.300 -0.286 0.000 1.258 243 P CA -0.495 62.358 63.100 -0.411 0.000 0.824 243 P CB 1.320 32.635 31.700 -0.642 0.000 1.038 244 A N 3.624 126.303 122.820 -0.236 0.000 2.320 244 A HA 0.451 4.805 4.320 0.057 0.000 0.287 244 A C 0.391 177.980 177.584 0.007 0.000 1.181 244 A CA -0.731 51.226 52.037 -0.134 0.000 0.831 244 A CB -0.424 18.398 19.000 -0.298 0.000 1.102 244 A HN 0.476 nan 8.150 nan 0.000 0.513 245 I N 3.106 123.681 120.570 0.007 0.000 2.312 245 I HA 0.114 4.319 4.170 0.057 0.000 0.291 245 I C -0.242 175.838 176.117 -0.062 0.000 1.031 245 I CA -0.484 60.793 61.300 -0.038 0.000 1.293 245 I CB 1.083 39.033 38.000 -0.084 0.000 1.403 245 I HN 0.540 nan 8.210 nan 0.000 0.484 246 L N 7.603 128.741 121.223 -0.142 0.000 2.319 246 L HA 0.639 5.014 4.340 0.057 0.000 0.280 246 L C 0.072 176.764 176.870 -0.296 0.000 1.099 246 L CA 0.569 55.203 54.840 -0.344 0.000 0.828 246 L CB 0.568 42.420 42.059 -0.344 0.000 1.150 246 L HN 0.781 nan 8.230 nan 0.000 0.442 247 A N 5.237 127.857 122.820 -0.333 0.000 2.588 247 A HA 0.824 5.178 4.320 0.057 0.000 0.290 247 A C -1.512 175.947 177.584 -0.207 0.000 1.136 247 A CA -0.793 51.108 52.037 -0.227 0.000 0.681 247 A CB 1.423 20.306 19.000 -0.195 0.000 1.282 247 A HN 0.625 nan 8.150 nan 0.000 0.421 248 K N -0.185 120.179 120.400 -0.060 0.000 2.400 248 K HA 0.763 5.117 4.320 0.057 0.000 0.246 248 K C -1.234 175.442 176.600 0.126 0.000 0.995 248 K CA -0.707 55.581 56.287 0.003 0.000 0.840 248 K CB 1.106 33.651 32.500 0.074 0.000 1.293 248 K HN 0.332 nan 8.250 nan 0.000 0.445 249 F N 0.704 120.784 119.950 0.216 0.000 2.628 249 F HA -0.009 4.552 4.527 0.057 0.000 0.362 249 F C 1.579 177.381 175.800 0.004 0.000 1.148 249 F CA 0.658 58.694 58.000 0.061 0.000 1.352 249 F CB 0.571 39.547 39.000 -0.041 0.000 1.081 249 F HN 0.861 nan 8.300 nan 0.000 0.605 250 A N 1.549 124.433 122.820 0.108 0.000 2.095 250 A HA 0.074 4.428 4.320 0.057 0.000 0.212 250 A C 1.628 179.235 177.584 0.037 0.000 1.162 250 A CA 0.615 52.687 52.037 0.058 0.000 0.753 250 A CB -0.759 18.246 19.000 0.008 0.000 0.840 250 A HN 0.723 nan 8.150 nan 0.000 0.468 251 S N 0.025 115.737 115.700 0.020 0.000 2.459 251 S HA 0.243 4.747 4.470 0.057 0.000 0.231 251 S C 0.559 175.135 174.600 -0.039 0.000 1.353 251 S CA 0.551 58.727 58.200 -0.040 0.000 0.988 251 S CB -0.196 62.941 63.200 -0.105 0.000 0.860 251 S HN 0.601 nan 8.310 nan 0.000 0.494 259 Y N 0.906 121.253 120.300 0.078 0.000 3.284 259 Y HA 0.449 5.033 4.550 0.057 0.000 0.165 259 Y C -0.862 175.028 175.900 -0.016 0.000 0.881 259 Y CA 1.117 59.269 58.100 0.088 0.000 1.837 259 Y CB 0.850 39.463 38.460 0.255 0.000 1.398 259 Y HN -0.119 nan 8.280 nan 0.000 0.336 260 K N 0.986 121.447 120.400 0.101 0.000 5.663 260 K HA -0.090 4.265 4.320 0.057 0.000 0.861 260 K C -1.932 174.480 176.600 -0.313 0.000 2.175 260 K CA 0.514 56.704 56.287 -0.162 0.000 1.596 260 K CB -1.147 31.212 32.500 -0.234 0.000 2.697 260 K HN 0.230 nan 8.250 nan 0.000 0.196 261 I N 2.576 122.896 120.570 -0.417 0.000 3.067 261 I HA 0.486 4.690 4.170 0.057 0.000 0.312 261 I C -0.584 175.115 176.117 -0.697 0.000 1.073 261 I CA -0.615 60.336 61.300 -0.581 0.000 1.016 261 I CB 0.828 38.422 38.000 -0.677 0.000 1.227 261 I HN 0.316 nan 8.210 nan 0.000 0.456 262 Y N 3.006 122.863 120.300 -0.739 0.000 2.377 262 Y HA 0.730 5.315 4.550 0.057 0.000 0.339 262 Y C -0.561 175.000 175.900 -0.565 0.000 1.011 262 Y CA -0.652 57.093 58.100 -0.592 0.000 1.093 262 Y CB 1.412 39.529 38.460 -0.571 0.000 1.201 262 Y HN 0.197 nan 8.280 nan 0.000 0.455 263 L N 4.397 125.526 121.223 -0.157 0.000 2.354 263 L HA 0.565 4.940 4.340 0.057 0.000 0.264 263 L C -1.443 175.385 176.870 -0.069 0.000 1.008 263 L CA -1.279 53.462 54.840 -0.165 0.000 0.819 263 L CB 1.931 43.851 42.059 -0.232 0.000 1.339 263 L HN 0.309 nan 8.230 nan 0.000 0.420 264 L N 3.626 124.811 121.223 -0.063 0.000 2.298 264 L HA 0.409 4.783 4.340 0.057 0.000 0.284 264 L C -1.520 175.281 176.870 -0.115 0.000 1.013 264 L CA -1.480 53.302 54.840 -0.097 0.000 0.824 264 L CB 1.215 43.237 42.059 -0.062 0.000 1.221 264 L HN 0.292 nan 8.230 nan 0.000 0.418 265 P HA -0.237 nan 4.420 nan 0.000 0.224 265 P C 0.960 178.296 177.300 0.059 0.000 1.142 265 P CA 1.009 64.112 63.100 0.005 0.000 0.778 265 P CB 0.441 32.210 31.700 0.114 0.000 0.764 266 Q N -0.386 119.370 119.800 -0.073 0.000 2.378 266 Q HA 0.023 4.398 4.340 0.057 0.000 0.205 266 Q C 1.513 177.449 176.000 -0.106 0.000 0.954 266 Q CA 0.646 56.448 55.803 -0.001 0.000 0.901 266 Q CB -0.072 28.615 28.738 -0.084 0.000 0.981 266 Q HN 0.309 nan 8.270 nan 0.000 0.483 267 L N 0.330 121.402 121.223 -0.253 0.000 3.069 267 L HA 0.274 4.649 4.340 0.057 0.000 0.271 267 L C -0.191 176.535 176.870 -0.241 0.000 1.201 267 L CA -0.450 54.063 54.840 -0.544 0.000 1.015 267 L CB 1.343 42.931 42.059 -0.783 0.000 1.371 267 L HN -0.066 nan 8.230 nan 0.000 0.574 268 V N -1.949 117.922 119.914 -0.072 0.000 3.001 268 V HA 0.845 4.999 4.120 0.057 0.000 0.314 268 V C -0.329 175.790 176.094 0.041 0.000 1.099 268 V CA -0.880 61.426 62.300 0.010 0.000 0.989 268 V CB 2.182 34.017 31.823 0.021 0.000 1.040 268 V HN -0.075 nan 8.190 nan 0.000 0.434 269 V N -0.590 119.359 119.914 0.058 0.000 2.656 269 V HA 0.775 4.930 4.120 0.057 0.000 0.307 269 V C -2.703 173.425 176.094 0.057 0.000 1.051 269 V CA -2.363 59.968 62.300 0.051 0.000 0.893 269 V CB 1.631 33.490 31.823 0.060 0.000 0.999 269 V HN 0.870 nan 8.190 nan 0.000 0.426 270 P HA 0.316 nan 4.420 nan 0.000 0.269 270 P C -0.276 176.998 177.300 -0.044 0.000 1.209 270 P CA 0.497 63.616 63.100 0.031 0.000 0.776 270 P CB 0.735 32.576 31.700 0.234 0.000 0.876 271 T N 1.763 116.133 114.554 -0.308 0.000 2.916 271 T HA 0.606 4.990 4.350 0.057 0.000 0.305 271 T C -1.058 173.388 174.700 -0.423 0.000 1.119 271 T CA -0.213 61.782 62.100 -0.175 0.000 1.008 271 T CB 1.002 69.858 68.868 -0.020 0.000 1.129 271 T HN 0.258 nan 8.240 nan 0.000 0.480 272 Y N 0.084 120.446 120.300 0.103 0.000 2.588 272 Y HA 0.497 5.082 4.550 0.058 0.000 0.343 272 Y C -0.170 175.771 175.900 0.068 0.000 1.065 272 Y CA -1.396 56.745 58.100 0.068 0.000 1.038 272 Y CB 1.603 40.074 38.460 0.018 0.000 1.297 272 Y HN 0.421 nan 8.280 nan 0.000 0.467 273 N N 0.905 119.745 118.700 0.233 0.000 2.437 273 N HA 0.368 5.142 4.740 0.057 0.000 0.259 273 N C 0.476 176.071 175.510 0.141 0.000 0.983 273 N CA 0.056 53.201 53.050 0.158 0.000 0.937 273 N CB 1.916 40.475 38.487 0.120 0.000 1.122 273 N HN 0.929 nan 8.380 nan 0.000 0.499 274 A N 3.110 126.010 122.820 0.133 0.000 1.873 274 A HA -0.218 4.136 4.320 0.057 0.000 0.218 274 A C 1.766 179.391 177.584 0.070 0.000 1.193 274 A CA 1.534 53.621 52.037 0.083 0.000 0.629 274 A CB -0.343 18.717 19.000 0.100 0.000 0.826 274 A HN 0.597 nan 8.150 nan 0.000 0.447 275 E N -0.509 119.750 120.200 0.099 0.000 2.130 275 E HA -0.248 4.137 4.350 0.057 0.000 0.196 275 E C 2.053 178.693 176.600 0.067 0.000 0.998 275 E CA 1.551 58.004 56.400 0.088 0.000 0.806 275 E CB -0.333 29.433 29.700 0.110 0.000 0.738 275 E HN 0.799 nan 8.360 nan 0.000 0.459 276 Q N -0.249 119.596 119.800 0.074 0.000 2.437 276 Q HA -0.045 4.329 4.340 0.057 0.000 0.210 276 Q C 0.214 176.251 176.000 0.061 0.000 0.972 276 Q CA 0.229 56.074 55.803 0.070 0.000 0.903 276 Q CB 0.129 28.921 28.738 0.090 0.000 0.967 276 Q HN 0.231 nan 8.270 nan 0.000 0.486 283 K N -0.739 119.603 120.400 -0.096 0.000 2.585 283 K HA 0.178 4.532 4.320 0.057 0.000 0.198 283 K C 1.257 177.792 176.600 -0.108 0.000 1.403 283 K CA 0.675 56.919 56.287 -0.072 0.000 1.021 283 K CB 0.367 32.856 32.500 -0.019 0.000 1.558 283 K HN 0.563 nan 8.250 nan 0.000 0.524 284 E N 1.456 121.578 120.200 -0.130 0.000 2.274 284 E HA -0.030 4.355 4.350 0.057 0.000 0.194 284 E C 1.759 178.022 176.600 -0.561 0.000 0.996 284 E CA 0.771 57.083 56.400 -0.146 0.000 0.840 284 E CB -0.042 29.702 29.700 0.073 0.000 0.772 284 E HN 0.245 nan 8.360 nan 0.000 0.491 285 I N 0.454 120.603 120.570 -0.701 0.000 2.333 285 I HA -0.198 4.006 4.170 0.057 0.000 0.246 285 I C 2.132 178.031 176.117 -0.364 0.000 1.106 285 I CA 0.394 61.196 61.300 -0.829 0.000 1.411 285 I CB 0.011 37.674 38.000 -0.562 0.000 1.082 285 I HN 0.105 nan 8.210 nan 0.000 0.420 286 L N 0.913 121.993 121.223 -0.239 0.000 2.046 286 L HA -0.206 4.168 4.340 0.057 0.000 0.208 286 L C 2.208 179.017 176.870 -0.101 0.000 1.077 286 L CA 1.879 56.632 54.840 -0.144 0.000 0.747 286 L CB -0.690 41.309 42.059 -0.100 0.000 0.896 286 L HN 0.206 nan 8.230 nan 0.000 0.432 287 E N -2.596 117.562 120.200 -0.069 0.000 2.463 287 E HA -0.244 4.140 4.350 0.057 0.000 0.201 287 E C 1.262 177.885 176.600 0.039 0.000 1.045 287 E CA 0.691 57.088 56.400 -0.005 0.000 0.872 287 E CB -0.017 29.704 29.700 0.035 0.000 0.797 287 E HN 0.548 nan 8.360 nan 0.000 0.538 288 Y N -0.447 119.777 120.300 -0.127 0.000 2.535 288 Y HA 0.002 4.586 4.550 0.057 0.000 0.266 288 Y C 2.314 178.084 175.900 -0.216 0.000 1.088 288 Y CA 1.217 59.269 58.100 -0.079 0.000 1.285 288 Y CB 0.462 38.941 38.460 0.030 0.000 1.166 288 Y HN 0.036 nan 8.280 nan 0.000 0.525 289 T N -2.470 111.872 114.554 -0.354 0.000 3.057 289 T HA 0.144 4.528 4.350 0.057 0.000 0.254 289 T C 0.459 174.952 174.700 -0.346 0.000 1.094 289 T CA -0.081 61.591 62.100 -0.714 0.000 1.088 289 T CB -0.060 68.499 68.868 -0.514 0.000 0.934 289 T HN -0.208 nan 8.240 nan 0.000 0.497 290 K N 1.921 122.211 120.400 -0.184 0.000 2.258 290 K HA 0.539 4.893 4.320 0.057 0.000 0.284 290 K C -0.596 175.965 176.600 -0.066 0.000 1.051 290 K CA -0.310 55.933 56.287 -0.073 0.000 0.923 290 K CB 1.314 33.788 32.500 -0.042 0.000 1.046 290 K HN 0.393 nan 8.250 nan 0.000 0.474 291 L N 3.464 124.680 121.223 -0.012 0.000 2.362 291 L HA 0.426 4.801 4.340 0.057 0.000 0.271 291 L C 0.131 177.008 176.870 0.011 0.000 1.002 291 L CA -1.031 53.799 54.840 -0.016 0.000 0.818 291 L CB 1.580 43.637 42.059 -0.003 0.000 1.298 291 L HN 0.289 nan 8.230 nan 0.000 0.420 292 M N 2.132 121.727 119.600 -0.009 0.000 2.198 292 M HA 0.204 4.718 4.480 0.057 0.000 0.315 292 M C -1.492 174.809 176.300 0.001 0.000 1.134 292 M CA -2.108 53.196 55.300 0.006 0.000 1.171 292 M CB 0.112 32.707 32.600 -0.008 0.000 1.413 292 M HN 0.211 nan 8.290 nan 0.000 0.467 293 P HA -0.154 nan 4.420 nan 0.000 0.218 293 P C 0.938 178.150 177.300 -0.147 0.000 1.148 293 P CA 1.294 64.435 63.100 0.068 0.000 0.822 293 P CB 0.259 32.053 31.700 0.156 0.000 0.784 294 E N -0.471 119.662 120.200 -0.112 0.000 2.216 294 E HA -0.109 4.276 4.350 0.057 0.000 0.192 294 E C 1.790 178.268 176.600 -0.203 0.000 0.988 294 E CA 0.810 57.114 56.400 -0.160 0.000 0.834 294 E CB -0.312 29.336 29.700 -0.086 0.000 0.772 294 E HN 0.476 nan 8.360 nan 0.000 0.479 295 E N 0.401 120.503 120.200 -0.164 0.000 2.107 295 E HA -0.090 4.295 4.350 0.057 0.000 0.191 295 E C 2.147 178.616 176.600 -0.219 0.000 0.982 295 E CA 0.510 56.820 56.400 -0.150 0.000 0.809 295 E CB -0.035 29.609 29.700 -0.094 0.000 0.756 295 E HN 0.102 nan 8.360 nan 0.000 0.459 296 R N 1.085 121.396 120.500 -0.314 0.000 2.073 296 R HA -0.064 4.311 4.340 0.057 0.000 0.229 296 R C 2.388 178.286 176.300 -0.669 0.000 1.120 296 R CA 1.079 56.928 56.100 -0.417 0.000 0.967 296 R CB -0.081 29.995 30.300 -0.374 0.000 0.862 296 R HN -0.020 nan 8.270 nan 0.000 0.436 297 K N 1.039 120.862 120.400 -0.961 0.000 2.032 297 K HA -0.237 4.118 4.320 0.057 0.000 0.209 297 K C 1.993 178.382 176.600 -0.352 0.000 1.048 297 K CA 1.792 57.639 56.287 -0.733 0.000 0.927 297 K CB 0.003 32.186 32.500 -0.529 0.000 0.712 297 K HN 0.120 nan 8.250 nan 0.000 0.441 298 E N 0.486 120.513 120.200 -0.289 0.000 2.051 298 E HA -0.199 4.185 4.350 0.057 0.000 0.192 298 E C 2.103 178.556 176.600 -0.246 0.000 0.991 298 E CA 1.290 57.557 56.400 -0.221 0.000 0.799 298 E CB -0.061 29.533 29.700 -0.176 0.000 0.748 298 E HN 0.304 nan 8.360 nan 0.000 0.449 299 L N 0.589 121.677 121.223 -0.224 0.000 2.079 299 L HA -0.210 4.164 4.340 0.057 0.000 0.210 299 L C 2.487 179.245 176.870 -0.186 0.000 1.081 299 L CA 0.814 55.534 54.840 -0.200 0.000 0.752 299 L CB -0.311 41.685 42.059 -0.104 0.000 0.896 299 L HN 0.269 nan 8.230 nan 0.000 0.433 300 L N -0.826 120.306 121.223 -0.151 0.000 2.156 300 L HA -0.137 4.237 4.340 0.057 0.000 0.208 300 L C 2.424 179.232 176.870 -0.104 0.000 1.095 300 L CA 0.993 55.786 54.840 -0.079 0.000 0.770 300 L CB -0.463 41.593 42.059 -0.005 0.000 0.914 300 L HN 0.294 nan 8.230 nan 0.000 0.439 301 E N 0.163 120.273 120.200 -0.150 0.000 2.150 301 E HA -0.160 4.224 4.350 0.057 0.000 0.193 301 E C 1.781 178.252 176.600 -0.216 0.000 0.985 301 E CA 0.766 57.080 56.400 -0.143 0.000 0.814 301 E CB -0.079 29.538 29.700 -0.138 0.000 0.752 301 E HN 0.488 nan 8.360 nan 0.000 0.466 302 N N 0.980 119.446 118.700 -0.389 0.000 2.188 302 N HA -0.105 4.669 4.740 0.057 0.000 0.184 302 N C 1.929 177.199 175.510 -0.400 0.000 1.018 302 N CA 0.914 53.521 53.050 -0.738 0.000 0.858 302 N CB -0.079 37.347 38.487 -1.768 0.000 0.989 302 N HN 0.210 nan 8.380 nan 0.000 0.426 303 I N 1.022 121.482 120.570 -0.184 0.000 2.202 303 I HA -0.194 4.010 4.170 0.057 0.000 0.242 303 I C 2.167 178.298 176.117 0.024 0.000 1.091 303 I CA 0.704 62.024 61.300 0.033 0.000 1.368 303 I CB -0.223 37.801 38.000 0.040 0.000 1.058 303 I HN 0.029 nan 8.210 nan 0.000 0.410 304 L N 0.672 121.886 121.223 -0.015 0.000 2.012 304 L HA -0.227 4.147 4.340 0.057 0.000 0.210 304 L C 2.777 179.649 176.870 0.003 0.000 1.073 304 L CA 1.510 56.351 54.840 0.001 0.000 0.748 304 L CB -0.721 41.334 42.059 -0.007 0.000 0.891 304 L HN 0.256 nan 8.230 nan 0.000 0.431 305 A N -0.782 122.028 122.820 -0.018 0.000 2.067 305 A HA -0.197 4.158 4.320 0.057 0.000 0.219 305 A C 2.075 179.681 177.584 0.036 0.000 1.158 305 A CA 1.494 53.530 52.037 -0.002 0.000 0.661 305 A CB -0.291 18.692 19.000 -0.029 0.000 0.801 305 A HN 0.333 nan 8.150 nan 0.000 0.452 306 E N -0.799 119.441 120.200 0.067 0.000 2.447 306 E HA 0.114 4.499 4.350 0.057 0.000 0.195 306 E C -0.170 176.469 176.600 0.065 0.000 1.028 306 E CA 0.002 56.463 56.400 0.101 0.000 0.876 306 E CB 0.150 29.966 29.700 0.193 0.000 0.885 306 E HN 0.206 nan 8.360 nan 0.000 0.500 307 V N 2.280 122.223 119.914 0.049 0.000 2.387 307 V HA 0.041 4.196 4.120 0.057 0.000 0.260 307 V C -0.011 176.100 176.094 0.029 0.000 1.054 307 V CA 0.001 62.324 62.300 0.038 0.000 0.967 307 V CB 0.855 32.698 31.823 0.034 0.000 1.036 307 V HN 0.054 nan 8.190 nan 0.000 0.481 308 D N 3.430 123.847 120.400 0.028 0.000 3.032 308 D HA 0.206 4.880 4.640 0.057 0.000 0.241 308 D C 0.271 176.582 176.300 0.018 0.000 1.196 308 D CA 0.393 54.407 54.000 0.022 0.000 0.927 308 D CB 0.136 40.949 40.800 0.022 0.000 1.129 308 D HN 0.541 nan 8.370 nan 0.000 0.458 309 S N 0.309 116.019 115.700 0.017 0.000 2.548 309 S HA 0.197 4.701 4.470 0.057 0.000 0.276 309 S C -0.188 174.417 174.600 0.009 0.000 1.129 309 S CA -0.885 57.323 58.200 0.012 0.000 0.931 309 S CB 1.160 64.369 63.200 0.014 0.000 1.068 309 S HN 0.245 nan 8.310 nan 0.000 0.480 310 D N 3.658 124.060 120.400 0.004 0.000 2.368 310 D HA 0.030 4.705 4.640 0.057 0.000 0.218 310 D C 1.174 177.471 176.300 -0.004 0.000 1.112 310 D CA -0.210 53.791 54.000 0.001 0.000 0.834 310 D CB 0.019 40.819 40.800 -0.000 0.000 0.953 310 D HN 0.440 nan 8.370 nan 0.000 0.505 311 I N 1.279 121.845 120.570 -0.006 0.000 3.001 311 I HA 0.109 4.313 4.170 0.057 0.000 0.268 311 I C 0.686 176.795 176.117 -0.013 0.000 1.267 311 I CA 0.289 61.580 61.300 -0.015 0.000 1.472 311 I CB -0.159 37.830 38.000 -0.018 0.000 1.089 311 I HN 0.223 nan 8.210 nan 0.000 0.468 312 I N -3.836 116.734 120.570 -0.000 0.000 2.969 312 I HA 0.506 4.710 4.170 0.057 0.000 0.307 312 I C -0.639 175.486 176.117 0.014 0.000 1.149 312 I CA -1.098 60.207 61.300 0.008 0.000 1.008 312 I CB 1.306 39.319 38.000 0.022 0.000 1.232 312 I HN -0.320 nan 8.210 nan 0.000 0.435 313 D N 2.315 122.728 120.400 0.021 0.000 2.362 313 D HA 0.112 4.786 4.640 0.057 0.000 0.238 313 D C 0.785 177.101 176.300 0.026 0.000 1.212 313 D CA 0.038 54.054 54.000 0.026 0.000 0.902 313 D CB 0.999 41.824 40.800 0.041 0.000 1.180 313 D HN 0.680 nan 8.370 nan 0.000 0.445 314 K N -0.981 119.430 120.400 0.020 0.000 2.393 314 K HA 0.129 4.483 4.320 0.057 0.000 0.193 314 K C 0.080 176.686 176.600 0.011 0.000 1.026 314 K CA -0.147 56.148 56.287 0.013 0.000 1.064 314 K CB 0.192 32.696 32.500 0.007 0.000 0.833 314 K HN 0.249 nan 8.250 nan 0.000 0.521 315 S N 0.432 116.144 115.700 0.019 0.000 2.595 315 S HA 0.474 4.978 4.470 0.057 0.000 0.281 315 S C -0.321 174.300 174.600 0.034 0.000 1.117 315 S CA -1.140 57.070 58.200 0.017 0.000 0.873 315 S CB 1.254 64.458 63.200 0.008 0.000 1.108 315 S HN 0.125 nan 8.310 nan 0.000 0.477 316 L N 2.318 123.562 121.223 0.035 0.000 2.453 316 L HA 0.276 4.650 4.340 0.057 0.000 0.272 316 L C 0.760 177.643 176.870 0.021 0.000 1.182 316 L CA -0.228 54.641 54.840 0.049 0.000 0.858 316 L CB 0.613 42.723 42.059 0.084 0.000 1.120 316 L HN 0.712 nan 8.230 nan 0.000 0.474 317 S N 1.997 117.699 115.700 0.004 0.000 2.585 317 S HA 0.197 4.701 4.470 0.057 0.000 0.273 317 S C -0.152 174.374 174.600 -0.123 0.000 1.339 317 S CA -0.631 57.540 58.200 -0.048 0.000 1.028 317 S CB 0.703 63.849 63.200 -0.090 0.000 0.906 317 S HN 0.481 nan 8.310 nan 0.000 0.528 318 E N 0.957 121.076 120.200 -0.135 0.000 2.221 318 E HA 0.639 5.023 4.350 0.057 0.000 0.268 318 E C -0.687 175.766 176.600 -0.245 0.000 0.933 318 E CA -0.602 55.695 56.400 -0.172 0.000 0.809 318 E CB 2.206 31.839 29.700 -0.112 0.000 1.190 318 E HN 0.430 nan 8.360 nan 0.000 0.406 319 I N 0.386 120.765 120.570 -0.319 0.000 2.969 319 I HA 0.233 4.437 4.170 0.057 0.000 0.307 319 I C -1.149 174.787 176.117 -0.302 0.000 1.149 319 I CA -0.782 60.299 61.300 -0.364 0.000 1.008 319 I CB 2.277 39.925 38.000 -0.586 0.000 1.232 319 I HN 0.512 nan 8.210 nan 0.000 0.435 320 E N 4.994 125.059 120.200 -0.224 0.000 2.130 320 E HA 0.387 4.771 4.350 0.057 0.000 0.284 320 E C -0.987 175.517 176.600 -0.160 0.000 1.018 320 E CA -0.527 55.775 56.400 -0.163 0.000 0.817 320 E CB 1.366 31.004 29.700 -0.103 0.000 1.078 320 E HN 0.448 nan 8.360 nan 0.000 0.396 321 V N 1.741 121.557 119.914 -0.165 0.000 2.966 321 V HA 0.505 4.659 4.120 0.057 0.000 0.317 321 V C -0.420 175.552 176.094 -0.204 0.000 1.070 321 V CA -0.671 61.553 62.300 -0.127 0.000 1.008 321 V CB 1.931 33.717 31.823 -0.063 0.000 1.070 321 V HN 0.560 nan 8.190 nan 0.000 0.457 322 E N 2.228 122.197 120.200 -0.386 0.000 2.114 322 E HA 0.378 4.763 4.350 0.057 0.000 0.266 322 E C -0.646 175.754 176.600 -0.332 0.000 0.896 322 E CA -0.411 55.713 56.400 -0.461 0.000 0.750 322 E CB 1.575 30.724 29.700 -0.919 0.000 1.121 322 E HN 0.684 nan 8.360 nan 0.000 0.413 323 K N 1.994 122.296 120.400 -0.163 0.000 2.276 323 K HA 0.265 4.619 4.320 0.057 0.000 0.259 323 K C 0.394 176.948 176.600 -0.076 0.000 1.001 323 K CA -0.010 56.221 56.287 -0.093 0.000 0.927 323 K CB 0.741 33.204 32.500 -0.061 0.000 0.969 323 K HN 0.380 nan 8.250 nan 0.000 0.490 324 I N 2.032 122.555 120.570 -0.079 0.000 2.339 324 I HA 0.137 4.341 4.170 0.057 0.000 0.290 324 I C 0.217 176.264 176.117 -0.117 0.000 0.994 324 I CA -0.675 60.537 61.300 -0.147 0.000 1.191 324 I CB 1.583 39.362 38.000 -0.368 0.000 1.343 324 I HN 0.656 nan 8.210 nan 0.000 0.458 325 A N 5.841 128.606 122.820 -0.092 0.000 2.584 325 A HA -0.041 4.314 4.320 0.057 0.000 0.239 325 A C 1.081 178.654 177.584 -0.018 0.000 1.043 325 A CA 0.301 52.312 52.037 -0.044 0.000 0.756 325 A CB 0.032 19.015 19.000 -0.029 0.000 0.963 325 A HN 0.872 nan 8.150 nan 0.000 0.511 326 Q N 0.788 120.592 119.800 0.006 0.000 2.500 326 Q HA -0.151 4.224 4.340 0.057 0.000 0.213 326 Q C 1.675 177.701 176.000 0.044 0.000 0.974 326 Q CA 1.137 56.961 55.803 0.034 0.000 0.918 326 Q CB 0.102 28.856 28.738 0.027 0.000 0.980 326 Q HN 0.966 nan 8.270 nan 0.000 0.505 327 E N 1.218 121.437 120.200 0.032 0.000 2.107 327 E HA -0.156 4.228 4.350 0.057 0.000 0.191 327 E C 1.515 178.149 176.600 0.056 0.000 0.982 327 E CA 0.598 57.019 56.400 0.035 0.000 0.809 327 E CB 0.059 29.773 29.700 0.023 0.000 0.756 327 E HN 0.394 nan 8.360 nan 0.000 0.459 328 L N 1.108 122.378 121.223 0.078 0.000 2.633 328 L HA -0.040 4.334 4.340 0.057 0.000 0.235 328 L C 2.077 179.063 176.870 0.193 0.000 1.163 328 L CA 0.301 55.226 54.840 0.141 0.000 0.859 328 L CB -0.216 41.957 42.059 0.190 0.000 0.973 328 L HN 0.019 nan 8.230 nan 0.000 0.451 329 E N 0.684 120.971 120.200 0.145 0.000 2.285 329 E HA -0.023 4.361 4.350 0.057 0.000 0.194 329 E C 0.600 177.226 176.600 0.044 0.000 0.997 329 E CA 0.566 57.034 56.400 0.113 0.000 0.845 329 E CB 0.099 29.859 29.700 0.101 0.000 0.782 329 E HN 0.595 nan 8.360 nan 0.000 0.491 330 N N 0.720 119.443 118.700 0.038 0.000 2.389 330 N HA 0.100 4.875 4.740 0.057 0.000 0.260 330 N C 0.609 176.124 175.510 0.009 0.000 1.191 330 N CA 0.010 53.073 53.050 0.021 0.000 0.885 330 N CB 0.697 39.201 38.487 0.029 0.000 1.162 330 N HN 0.062 nan 8.380 nan 0.000 0.512 331 K N 0.265 120.659 120.400 -0.011 0.000 2.400 331 K HA 0.269 4.623 4.320 0.057 0.000 0.194 331 K C 0.323 176.902 176.600 -0.036 0.000 1.033 331 K CA 0.429 56.705 56.287 -0.019 0.000 1.021 331 K CB 0.825 33.308 32.500 -0.029 0.000 0.808 331 K HN 0.147 nan 8.250 nan 0.000 0.505 332 I N 2.304 122.843 120.570 -0.053 0.000 2.307 332 I HA 0.176 4.380 4.170 0.057 0.000 0.289 332 I C -0.248 175.868 176.117 -0.000 0.000 1.021 332 I CA -0.442 60.825 61.300 -0.055 0.000 1.224 332 I CB 0.984 38.879 38.000 -0.175 0.000 1.376 332 I HN -0.064 nan 8.210 nan 0.000 0.470 333 R N 4.953 125.490 120.500 0.061 0.000 2.854 333 R HA 0.801 5.175 4.340 0.057 0.000 0.271 333 R C -0.803 175.647 176.300 0.250 0.000 0.996 333 R CA -0.851 55.321 56.100 0.120 0.000 0.961 333 R CB 2.706 33.069 30.300 0.105 0.000 1.182 333 R HN 0.456 nan 8.270 nan 0.000 0.479 334 V N -1.269 118.808 119.914 0.271 0.000 3.181 334 V HA 0.800 4.954 4.120 0.057 0.000 0.314 334 V C -0.517 175.754 176.094 0.294 0.000 1.173 334 V CA -1.042 61.474 62.300 0.360 0.000 1.052 334 V CB 1.958 34.005 31.823 0.373 0.000 1.123 334 V HN 0.976 nan 8.190 nan 0.000 0.454 335 R N -0.258 120.369 120.500 0.212 0.000 2.716 335 R HA 0.673 5.047 4.340 0.057 0.000 0.271 335 R C -1.760 174.589 176.300 0.080 0.000 1.028 335 R CA -0.644 55.534 56.100 0.130 0.000 0.883 335 R CB 1.618 31.972 30.300 0.091 0.000 1.250 335 R HN 0.811 nan 8.270 nan 0.000 0.465 336 D N -0.444 119.997 120.400 0.069 0.000 2.588 336 D HA 0.123 4.798 4.640 0.057 0.000 0.268 336 D C 0.243 176.558 176.300 0.025 0.000 1.176 336 D CA -0.509 53.524 54.000 0.054 0.000 1.080 336 D CB 0.354 41.193 40.800 0.064 0.000 1.186 336 D HN 0.605 nan 8.370 nan 0.000 0.619 337 D N -0.716 119.700 120.400 0.027 0.000 2.264 337 D HA -0.105 4.569 4.640 0.057 0.000 0.208 337 D C 0.587 176.903 176.300 0.026 0.000 0.966 337 D CA 0.880 54.892 54.000 0.020 0.000 0.864 337 D CB 0.001 40.817 40.800 0.026 0.000 0.933 337 D HN 0.116 nan 8.370 nan 0.000 0.499 338 K N 0.503 120.925 120.400 0.036 0.000 3.206 338 K HA 0.454 4.808 4.320 0.057 0.000 0.284 338 K C 1.524 178.150 176.600 0.043 0.000 1.082 338 K CA 0.628 56.940 56.287 0.041 0.000 1.536 338 K CB -0.268 32.262 32.500 0.049 0.000 1.993 338 K HN 0.104 nan 8.250 nan 0.000 0.646 339 G N 0.427 109.257 108.800 0.050 0.000 4.432 339 G HA2 0.144 4.139 3.960 0.057 0.000 0.294 339 G HA3 0.144 4.139 3.960 0.057 0.000 0.294 339 G C -0.963 173.976 174.900 0.064 0.000 1.141 339 G CA -0.337 44.797 45.100 0.056 0.000 0.895 339 G HN 0.199 nan 8.290 nan 0.000 0.548 340 N N 0.838 119.579 118.700 0.069 0.000 2.439 340 N HA 0.417 5.191 4.740 0.057 0.000 0.249 340 N C -0.368 175.200 175.510 0.096 0.000 1.003 340 N CA -0.118 52.978 53.050 0.076 0.000 0.942 340 N CB 1.649 40.181 38.487 0.074 0.000 1.115 340 N HN -0.038 nan 8.380 nan 0.000 0.505 341 S N 1.246 117.005 115.700 0.098 0.000 2.252 341 S HA 0.287 4.792 4.470 0.057 0.000 0.180 341 S C -0.026 174.636 174.600 0.104 0.000 1.534 341 S CA -0.709 57.565 58.200 0.123 0.000 1.141 341 S CB 0.326 63.602 63.200 0.126 0.000 1.122 341 S HN 0.184 nan 8.310 nan 0.000 0.475 342 V N 5.009 124.986 119.914 0.105 0.000 2.567 342 V HA 0.425 4.580 4.120 0.057 0.000 0.289 342 V C -1.815 174.332 176.094 0.089 0.000 1.049 342 V CA -1.956 60.394 62.300 0.083 0.000 0.969 342 V CB 1.266 33.130 31.823 0.068 0.000 0.995 342 V HN 0.461 nan 8.190 nan 0.000 0.471 343 P HA 0.256 nan 4.420 nan 0.000 0.276 343 P C -0.483 176.854 177.300 0.061 0.000 1.252 343 P CA -0.566 62.569 63.100 0.059 0.000 0.802 343 P CB 0.843 32.568 31.700 0.040 0.000 1.035 344 I N 1.139 121.739 120.570 0.050 0.000 2.755 344 I HA 0.010 4.214 4.170 0.057 0.000 0.303 344 I C 0.189 176.355 176.117 0.082 0.000 1.168 344 I CA 1.412 62.756 61.300 0.074 0.000 1.588 344 I CB -1.482 36.529 38.000 0.017 0.000 1.509 344 I HN 0.201 nan 8.210 nan 0.000 0.734 345 S N 4.618 120.369 115.700 0.085 0.000 2.486 345 S HA 0.375 4.879 4.470 0.057 0.000 0.184 345 S C -0.549 174.086 174.600 0.059 0.000 0.774 345 S CA -0.948 57.298 58.200 0.077 0.000 0.995 345 S CB 0.489 63.718 63.200 0.048 0.000 1.427 345 S HN 0.495 nan 8.310 nan 0.000 0.398 356 L N 2.810 124.077 121.223 0.073 0.000 2.562 356 L HA -0.019 4.355 4.340 0.057 0.000 0.271 356 L C 1.062 178.028 176.870 0.161 0.000 1.167 356 L CA 0.342 55.278 54.840 0.158 0.000 0.917 356 L CB 0.358 42.462 42.059 0.076 0.000 1.187 356 L HN 0.631 nan 8.230 nan 0.000 0.482 357 W N 2.692 124.017 121.300 0.042 0.000 2.276 357 W HA -0.358 4.334 4.660 0.053 0.000 0.307 357 W C 1.368 178.005 176.519 0.197 0.000 1.240 357 W CA 1.945 59.344 57.345 0.090 0.000 1.249 357 W CB -2.113 27.391 29.460 0.073 0.000 1.140 357 W HN 0.701 nan 8.180 nan 0.000 0.519 358 T N -0.740 113.385 114.554 -0.715 0.000 3.072 358 T HA -0.125 4.259 4.350 0.057 0.000 0.266 358 T C 1.268 175.681 174.700 -0.478 0.000 1.127 358 T CA 1.054 62.701 62.100 -0.755 0.000 1.107 358 T CB -0.812 67.456 68.868 -1.000 0.000 0.910 358 T HN 0.070 nan 8.240 nan 0.000 0.513 359 N N 1.731 120.288 118.700 -0.239 0.000 2.635 359 N HA -0.072 4.703 4.740 0.057 0.000 0.191 359 N C 1.266 176.687 175.510 -0.147 0.000 1.155 359 N CA 0.900 53.842 53.050 -0.180 0.000 0.927 359 N CB -0.537 37.892 38.487 -0.097 0.000 0.976 359 N HN 0.854 nan 8.380 nan 0.000 0.448 360 Y N 0.489 120.724 120.300 -0.109 0.000 2.457 360 Y HA 0.164 4.746 4.550 0.053 0.000 0.292 360 Y C 1.119 176.982 175.900 -0.063 0.000 1.125 360 Y CA -0.445 57.618 58.100 -0.062 0.000 1.254 360 Y CB -0.593 37.843 38.460 -0.041 0.000 1.012 360 Y HN -0.052 nan 8.280 nan 0.000 0.555 361 S N 0.667 115.787 115.700 -0.966 0.000 2.601 361 S HA 0.309 4.813 4.470 0.057 0.000 0.271 361 S C 0.527 174.948 174.600 -0.298 0.000 1.305 361 S CA -0.848 56.968 58.200 -0.640 0.000 1.022 361 S CB 1.549 64.284 63.200 -0.775 0.000 0.940 361 S HN 0.353 nan 8.310 nan 0.000 0.525 362 R N 0.755 121.148 120.500 -0.178 0.000 2.313 362 R HA 0.210 4.584 4.340 0.057 0.000 0.199 362 R C 0.019 176.262 176.300 -0.095 0.000 0.958 362 R CA 0.163 56.195 56.100 -0.114 0.000 1.047 362 R CB -0.550 29.708 30.300 -0.070 0.000 0.955 362 R HN 0.661 nan 8.270 nan 0.000 0.481 363 K N 0.059 120.374 120.400 -0.140 0.000 2.527 363 K HA -0.072 4.282 4.320 0.057 0.000 0.278 363 K C -0.251 176.316 176.600 -0.055 0.000 0.981 363 K CA 0.421 56.651 56.287 -0.096 0.000 1.009 363 K CB 0.249 32.656 32.500 -0.156 0.000 0.895 363 K HN 0.054 nan 8.250 nan 0.000 0.493 364 Y N 2.339 122.507 120.300 -0.219 0.000 2.240 364 Y HA 0.092 4.679 4.550 0.060 0.000 0.341 364 Y C -1.315 174.435 175.900 -0.252 0.000 1.326 364 Y CA -1.652 56.297 58.100 -0.251 0.000 1.569 364 Y CB 0.455 38.752 38.460 -0.270 0.000 1.426 364 Y HN 0.551 nan 8.280 nan 0.000 0.587 365 P HA 0.115 nan 4.420 nan 0.000 0.276 365 P C -1.446 175.788 177.300 -0.109 0.000 1.252 365 P CA -0.195 62.760 63.100 -0.241 0.000 0.802 365 P CB 1.153 32.523 31.700 -0.549 0.000 1.035 366 V N 2.520 122.411 119.914 -0.039 0.000 2.347 366 V HA 0.265 4.419 4.120 0.057 0.000 0.280 366 V C 0.298 176.429 176.094 0.061 0.000 1.021 366 V CA -0.460 61.843 62.300 0.006 0.000 0.847 366 V CB 0.939 32.767 31.823 0.008 0.000 0.990 366 V HN 0.353 nan 8.190 nan 0.000 0.444 367 I N 6.077 126.696 120.570 0.083 0.000 2.382 367 I HA 0.302 4.506 4.170 0.057 0.000 0.285 367 I C -0.352 175.817 176.117 0.088 0.000 1.007 367 I CA -0.544 60.837 61.300 0.135 0.000 1.142 367 I CB 1.696 39.832 38.000 0.227 0.000 1.289 367 I HN 0.399 nan 8.210 nan 0.000 0.453 368 L N 9.498 130.725 121.223 0.007 0.000 2.268 368 L HA 0.482 4.857 4.340 0.057 0.000 0.289 368 L C -2.304 174.417 176.870 -0.248 0.000 1.064 368 L CA -1.404 53.387 54.840 -0.083 0.000 0.824 368 L CB 0.869 42.871 42.059 -0.094 0.000 1.202 368 L HN 0.203 nan 8.230 nan 0.000 0.433 369 P HA 0.036 nan 4.420 nan 0.000 0.269 369 P C -0.400 176.652 177.300 -0.414 0.000 1.217 369 P CA 0.270 63.215 63.100 -0.258 0.000 0.783 369 P CB 0.411 31.994 31.700 -0.193 0.000 0.898 370 Y N -0.786 119.455 120.300 -0.099 0.000 2.503 370 Y HA 0.210 4.794 4.550 0.057 0.000 0.278 370 Y C 0.858 176.663 175.900 -0.159 0.000 1.111 370 Y CA 0.804 58.844 58.100 -0.100 0.000 1.270 370 Y CB 0.553 38.971 38.460 -0.069 0.000 1.063 370 Y HN 0.299 nan 8.280 nan 0.000 0.548 371 E N -0.231 119.898 120.200 -0.117 0.000 2.347 371 E HA 0.452 4.836 4.350 0.057 0.000 0.285 371 E C -1.807 174.689 176.600 -0.174 0.000 0.925 371 E CA -0.473 55.828 56.400 -0.165 0.000 0.779 371 E CB 2.866 32.410 29.700 -0.259 0.000 1.233 371 E HN -0.289 nan 8.360 nan 0.000 0.414 372 V N 3.524 123.357 119.914 -0.135 0.000 2.487 372 V HA 0.338 4.492 4.120 0.057 0.000 0.298 372 V C -2.271 173.860 176.094 0.061 0.000 1.028 372 V CA -2.007 60.232 62.300 -0.102 0.000 0.860 372 V CB 1.554 33.237 31.823 -0.234 0.000 0.991 372 V HN 0.601 nan 8.190 nan 0.000 0.427 373 P HA -0.007 nan 4.420 nan 0.000 0.264 373 P C 0.743 178.185 177.300 0.237 0.000 1.173 373 P CA 0.360 63.614 63.100 0.258 0.000 0.761 373 P CB 0.559 32.536 31.700 0.460 0.000 0.794 374 E N 1.938 122.211 120.200 0.123 0.000 2.409 374 E HA -0.191 4.193 4.350 0.057 0.000 0.198 374 E C 1.613 178.256 176.600 0.071 0.000 1.024 374 E CA 0.482 56.935 56.400 0.088 0.000 0.861 374 E CB -0.039 29.687 29.700 0.043 0.000 0.788 374 E HN 0.476 nan 8.360 nan 0.000 0.521 375 K N 0.472 120.889 120.400 0.029 0.000 2.209 375 K HA -0.133 4.221 4.320 0.057 0.000 0.204 375 K C 1.198 177.716 176.600 -0.135 0.000 1.048 375 K CA 0.888 57.119 56.287 -0.094 0.000 0.940 375 K CB 0.005 32.382 32.500 -0.204 0.000 0.729 375 K HN 0.069 nan 8.250 nan 0.000 0.451 376 F N 0.868 120.887 119.950 0.115 0.000 2.661 376 F HA 0.072 4.634 4.527 0.058 0.000 0.298 376 F C 2.081 177.935 175.800 0.090 0.000 1.137 376 F CA 0.533 58.604 58.000 0.118 0.000 1.454 376 F CB 0.063 39.144 39.000 0.134 0.000 1.103 376 F HN -0.056 nan 8.300 nan 0.000 0.577 377 R N -0.154 120.464 120.500 0.198 0.000 2.115 377 R HA -0.142 4.232 4.340 0.057 0.000 0.230 377 R C 1.974 178.331 176.300 0.094 0.000 1.111 377 R CA 1.180 57.358 56.100 0.130 0.000 0.976 377 R CB -0.154 30.198 30.300 0.086 0.000 0.870 377 R HN 0.060 nan 8.270 nan 0.000 0.445 378 K N 0.906 121.348 120.400 0.071 0.000 2.121 378 K HA 0.109 4.464 4.320 0.057 0.000 0.203 378 K C 0.315 176.949 176.600 0.057 0.000 1.041 378 K CA 0.309 56.625 56.287 0.048 0.000 0.969 378 K CB 0.032 32.545 32.500 0.021 0.000 0.799 378 K HN -0.075 nan 8.250 nan 0.000 0.456 379 I N 2.666 123.273 120.570 0.061 0.000 3.163 379 I HA -0.305 3.899 4.170 0.057 0.000 0.332 379 I C 1.407 177.576 176.117 0.086 0.000 1.205 379 I CA 0.392 61.736 61.300 0.074 0.000 1.473 379 I CB 0.149 38.210 38.000 0.102 0.000 1.300 379 I HN 0.291 nan 8.210 nan 0.000 0.532 380 R N 4.885 125.423 120.500 0.063 0.000 1.583 380 R HA 0.038 4.413 4.340 0.057 0.000 0.125 380 R C 0.375 176.705 176.300 0.051 0.000 0.977 380 R CA 0.347 56.476 56.100 0.048 0.000 1.738 380 R CB 0.019 30.338 30.300 0.032 0.000 0.679 380 R HN 0.783 nan 8.270 nan 0.000 0.652 381 E N 0.661 120.884 120.200 0.038 0.000 2.283 381 E HA 0.359 4.743 4.350 0.057 0.000 0.267 381 E C -0.713 175.922 176.600 0.058 0.000 1.045 381 E CA -0.373 56.042 56.400 0.025 0.000 0.884 381 E CB 1.202 30.905 29.700 0.005 0.000 1.106 381 E HN 0.263 nan 8.360 nan 0.000 0.408 382 I N 2.258 122.864 120.570 0.061 0.000 2.448 382 I HA 0.261 4.465 4.170 0.057 0.000 0.281 382 I C -2.344 173.774 176.117 0.001 0.000 1.027 382 I CA -2.458 58.895 61.300 0.088 0.000 1.111 382 I CB 1.796 39.910 38.000 0.190 0.000 1.236 382 I HN 0.382 nan 8.210 nan 0.000 0.452 383 P HA 0.147 nan 4.420 nan 0.000 0.265 383 P C -0.650 176.309 177.300 -0.568 0.000 1.193 383 P CA -0.082 62.824 63.100 -0.324 0.000 0.765 383 P CB 0.502 32.038 31.700 -0.275 0.000 0.823 384 M N 3.725 122.936 119.600 -0.649 0.000 2.243 384 M HA 0.465 4.979 4.480 0.057 0.000 0.324 384 M C -1.338 174.568 176.300 -0.655 0.000 1.031 384 M CA -0.170 54.845 55.300 -0.475 0.000 0.949 384 M CB 0.635 33.170 32.600 -0.108 0.000 1.615 384 M HN 0.109 nan 8.290 nan 0.000 0.430 385 F N 4.588 124.532 119.950 -0.009 0.000 2.493 385 F HA 0.576 5.137 4.527 0.057 0.000 0.329 385 F C -0.374 175.430 175.800 0.007 0.000 1.126 385 F CA -0.969 57.004 58.000 -0.045 0.000 0.937 385 F CB 1.073 40.020 39.000 -0.089 0.000 1.146 385 F HN 0.250 nan 8.300 nan 0.000 0.442 386 I N 5.285 125.982 120.570 0.211 0.000 2.306 386 I HA 0.292 4.497 4.170 0.057 0.000 0.288 386 I C -0.164 176.067 176.117 0.190 0.000 1.036 386 I CA -0.612 60.823 61.300 0.225 0.000 1.221 386 I CB 0.647 38.791 38.000 0.239 0.000 1.385 386 I HN 0.521 nan 8.210 nan 0.000 0.472 387 I N 7.337 128.005 120.570 0.165 0.000 2.306 387 I HA 0.289 4.494 4.170 0.057 0.000 0.288 387 I C -0.162 176.063 176.117 0.179 0.000 1.036 387 I CA -0.339 61.038 61.300 0.129 0.000 1.221 387 I CB 0.751 38.794 38.000 0.072 0.000 1.385 387 I HN 0.250 nan 8.210 nan 0.000 0.472 388 L N 5.329 126.646 121.223 0.157 0.000 2.282 388 L HA 0.347 4.721 4.340 0.057 0.000 0.288 388 L C 0.139 177.078 176.870 0.115 0.000 1.033 388 L CA -0.712 54.223 54.840 0.159 0.000 0.807 388 L CB 1.070 43.210 42.059 0.134 0.000 1.209 388 L HN 0.476 nan 8.230 nan 0.000 0.423 389 D N 1.730 122.203 120.400 0.122 0.000 2.363 389 D HA -0.030 4.644 4.640 0.057 0.000 0.263 389 D C 1.313 177.655 176.300 0.069 0.000 1.258 389 D CA 0.061 54.114 54.000 0.088 0.000 0.907 389 D CB 1.246 42.105 40.800 0.098 0.000 1.107 389 D HN 0.601 nan 8.370 nan 0.000 0.495 390 S N 2.050 117.781 115.700 0.051 0.000 2.465 390 S HA -0.111 4.393 4.470 0.057 0.000 0.241 390 S C 1.747 176.371 174.600 0.039 0.000 1.000 390 S CA 0.674 58.899 58.200 0.042 0.000 0.964 390 S CB -0.143 63.076 63.200 0.032 0.000 0.763 390 S HN 0.482 nan 8.310 nan 0.000 0.512 391 G N 0.576 109.399 108.800 0.039 0.000 3.181 391 G HA2 0.442 4.436 3.960 0.057 0.000 0.219 391 G HA3 0.442 4.436 3.960 0.057 0.000 0.219 391 G C 0.057 174.982 174.900 0.042 0.000 1.182 391 G CA -0.437 44.684 45.100 0.035 0.000 0.791 391 G HN 0.473 nan 8.290 nan 0.000 0.537 392 L N 1.099 122.352 121.223 0.051 0.000 2.307 392 L HA 0.426 4.801 4.340 0.057 0.000 0.284 392 L C 0.357 177.254 176.870 0.045 0.000 1.023 392 L CA -0.984 53.889 54.840 0.055 0.000 0.810 392 L CB 2.053 44.157 42.059 0.074 0.000 1.231 392 L HN -0.056 nan 8.230 nan 0.000 0.423 393 L N 2.182 123.426 121.223 0.036 0.000 2.536 393 L HA -0.124 4.251 4.340 0.057 0.000 0.294 393 L C 1.704 178.594 176.870 0.033 0.000 1.257 393 L CA 0.233 55.090 54.840 0.028 0.000 0.850 393 L CB 0.207 42.277 42.059 0.018 0.000 1.105 393 L HN 0.892 nan 8.230 nan 0.000 0.517 394 A N 2.432 125.270 122.820 0.029 0.000 1.869 394 A HA -0.268 4.086 4.320 0.057 0.000 0.218 394 A C 1.928 179.535 177.584 0.038 0.000 1.203 394 A CA 2.048 54.104 52.037 0.032 0.000 0.638 394 A CB -0.688 18.327 19.000 0.026 0.000 0.831 394 A HN 0.999 nan 8.150 nan 0.000 0.450 395 D N 0.253 120.671 120.400 0.031 0.000 2.106 395 D HA -0.213 4.462 4.640 0.057 0.000 0.191 395 D C 1.804 178.144 176.300 0.067 0.000 0.997 395 D CA 1.700 55.722 54.000 0.038 0.000 0.834 395 D CB -0.709 40.098 40.800 0.012 0.000 0.956 395 D HN 0.350 nan 8.370 nan 0.000 0.448 396 I N 1.480 122.080 120.570 0.051 0.000 2.248 396 I HA -0.253 3.951 4.170 0.057 0.000 0.248 396 I C 2.672 178.855 176.117 0.110 0.000 1.107 396 I CA 1.078 62.427 61.300 0.082 0.000 1.373 396 I CB -1.178 36.855 38.000 0.054 0.000 1.055 396 I HN 0.164 nan 8.210 nan 0.000 0.418 397 Q N 0.277 120.121 119.800 0.074 0.000 2.020 397 Q HA -0.198 4.176 4.340 0.057 0.000 0.202 397 Q C 2.076 178.096 176.000 0.035 0.000 0.982 397 Q CA 1.470 57.308 55.803 0.059 0.000 0.838 397 Q CB -0.167 28.605 28.738 0.056 0.000 0.899 397 Q HN 0.534 nan 8.270 nan 0.000 0.423 398 N N 0.315 119.043 118.700 0.046 0.000 2.149 398 N HA -0.162 4.612 4.740 0.057 0.000 0.188 398 N C 1.558 177.074 175.510 0.011 0.000 1.019 398 N CA 0.933 53.998 53.050 0.026 0.000 0.857 398 N CB -0.394 38.117 38.487 0.041 0.000 0.997 398 N HN 0.149 nan 8.380 nan 0.000 0.426 399 F N 1.971 121.870 119.950 -0.086 0.000 2.046 399 F HA -0.172 4.388 4.527 0.056 0.000 0.297 399 F C 2.315 177.988 175.800 -0.212 0.000 1.123 399 F CA 1.563 59.493 58.000 -0.115 0.000 1.199 399 F CB -0.702 38.242 39.000 -0.094 0.000 0.972 399 F HN 0.039 nan 8.300 nan 0.000 0.474 400 A N -0.552 122.115 122.820 -0.256 0.000 1.883 400 A HA -0.276 4.079 4.320 0.057 0.000 0.217 400 A C 2.289 179.371 177.584 -0.835 0.000 1.186 400 A CA 2.857 54.495 52.037 -0.665 0.000 0.624 400 A CB -1.744 17.013 19.000 -0.404 0.000 0.822 400 A HN 0.559 nan 8.150 nan 0.000 0.444 401 T N -0.888 113.459 114.554 -0.346 0.000 2.788 401 T HA -0.165 4.219 4.350 0.057 0.000 0.268 401 T C 1.705 176.283 174.700 -0.203 0.000 1.044 401 T CA 1.805 63.816 62.100 -0.149 0.000 1.139 401 T CB -0.624 68.241 68.868 -0.005 0.000 0.867 401 T HN 0.461 nan 8.240 nan 0.000 0.454 402 N N 0.979 119.525 118.700 -0.257 0.000 2.244 402 N HA -0.027 4.747 4.740 0.057 0.000 0.183 402 N C 1.988 177.304 175.510 -0.324 0.000 1.016 402 N CA 0.930 53.839 53.050 -0.235 0.000 0.866 402 N CB -0.265 38.106 38.487 -0.193 0.000 0.980 402 N HN 0.543 nan 8.380 nan 0.000 0.430 403 E N 0.214 120.097 120.200 -0.529 0.000 2.072 403 E HA -0.045 4.339 4.350 0.057 0.000 0.190 403 E C 1.705 178.071 176.600 -0.390 0.000 0.982 403 E CA 0.570 56.674 56.400 -0.492 0.000 0.803 403 E CB -0.172 29.100 29.700 -0.714 0.000 0.755 403 E HN 0.256 nan 8.360 nan 0.000 0.453 404 F N 1.202 120.912 119.950 -0.400 0.000 2.134 404 F HA -0.076 4.487 4.527 0.059 0.000 0.299 404 F C 2.464 177.888 175.800 -0.626 0.000 1.097 404 F CA 0.780 58.419 58.000 -0.602 0.000 1.264 404 F CB -0.808 37.942 39.000 -0.416 0.000 1.001 404 F HN -0.056 nan 8.300 nan 0.000 0.479 405 R N 0.120 120.497 120.500 -0.204 0.000 2.105 405 R HA -0.165 4.210 4.340 0.057 0.000 0.239 405 R C 2.027 178.164 176.300 -0.272 0.000 1.135 405 R CA 1.394 57.373 56.100 -0.201 0.000 0.967 405 R CB -0.294 29.929 30.300 -0.128 0.000 0.861 405 R HN 0.228 nan 8.270 nan 0.000 0.442 406 E N 0.628 120.637 120.200 -0.319 0.000 2.158 406 E HA -0.094 4.290 4.350 0.057 0.000 0.191 406 E C 1.973 178.165 176.600 -0.680 0.000 0.982 406 E CA 0.399 56.606 56.400 -0.322 0.000 0.823 406 E CB -0.143 29.493 29.700 -0.107 0.000 0.766 406 E HN 0.312 nan 8.360 nan 0.000 0.468 407 L N 1.291 121.840 121.223 -1.123 0.000 2.046 407 L HA -0.153 4.221 4.340 0.057 0.000 0.208 407 L C 2.439 178.799 176.870 -0.850 0.000 1.077 407 L CA 1.450 55.414 54.840 -1.460 0.000 0.747 407 L CB -0.251 41.070 42.059 -1.230 0.000 0.896 407 L HN 0.063 nan 8.230 nan 0.000 0.432 408 V N -2.776 116.706 119.914 -0.720 0.000 2.427 408 V HA -0.252 3.902 4.120 0.057 0.000 0.248 408 V C 2.399 178.229 176.094 -0.440 0.000 1.051 408 V CA 1.609 63.577 62.300 -0.553 0.000 1.048 408 V CB -0.899 30.722 31.823 -0.336 0.000 0.666 408 V HN 0.391 nan 8.190 nan 0.000 0.456 409 K N 1.956 122.201 120.400 -0.259 0.000 2.063 409 K HA -0.158 4.196 4.320 0.057 0.000 0.208 409 K C 2.580 179.086 176.600 -0.157 0.000 1.048 409 K CA 2.089 58.320 56.287 -0.094 0.000 0.928 409 K CB -0.458 31.982 32.500 -0.101 0.000 0.713 409 K HN 0.768 nan 8.250 nan 0.000 0.442 410 S N 0.954 116.507 115.700 -0.244 0.000 2.368 410 S HA -0.126 4.379 4.470 0.057 0.000 0.224 410 S C 2.087 176.507 174.600 -0.300 0.000 1.029 410 S CA 0.768 58.849 58.200 -0.199 0.000 0.988 410 S CB -0.208 62.907 63.200 -0.141 0.000 0.838 410 S HN 0.104 nan 8.310 nan 0.000 0.462 411 M N 0.802 120.133 119.600 -0.448 0.000 2.103 411 M HA -0.121 4.393 4.480 0.057 0.000 0.255 411 M C 0.165 175.916 176.300 -0.914 0.000 1.074 411 M CA 1.479 56.420 55.300 -0.598 0.000 1.090 411 M CB -1.150 31.003 32.600 -0.746 0.000 1.325 411 M HN 0.384 nan 8.290 nan 0.000 0.403 412 Y N 0.809 120.737 120.300 -0.620 0.000 2.570 412 Y HA 0.155 4.739 4.550 0.057 0.000 0.336 412 Y C 0.132 175.617 175.900 -0.692 0.000 1.284 412 Y CA -1.496 56.117 58.100 -0.812 0.000 1.761 412 Y CB -1.997 36.218 38.460 -0.409 0.000 1.724 412 Y HN 0.099 nan 8.280 nan 0.000 0.455 444 K N 3.041 123.348 120.400 -0.156 0.000 2.397 444 K HA 0.455 4.809 4.320 0.057 0.000 0.253 444 K C -1.273 175.323 176.600 -0.007 0.000 0.932 444 K CA -0.733 55.471 56.287 -0.139 0.000 0.795 444 K CB 2.059 34.343 32.500 -0.360 0.000 1.159 444 K HN 0.330 nan 8.250 nan 0.000 0.424 445 V N 5.998 125.909 119.914 -0.004 0.000 2.347 445 V HA 0.463 4.618 4.120 0.057 0.000 0.280 445 V C 0.165 176.280 176.094 0.035 0.000 1.021 445 V CA -0.699 61.627 62.300 0.044 0.000 0.847 445 V CB 1.045 32.896 31.823 0.047 0.000 0.990 445 V HN 0.564 nan 8.190 nan 0.000 0.444 446 I N 4.132 124.732 120.570 0.049 0.000 2.404 446 I HA 0.507 4.711 4.170 0.057 0.000 0.293 446 I C 0.014 176.162 176.117 0.051 0.000 0.992 446 I CA -0.152 61.169 61.300 0.034 0.000 1.149 446 I CB 2.186 40.188 38.000 0.003 0.000 1.315 446 I HN 0.485 nan 8.210 nan 0.000 0.446 447 T N 5.326 119.907 114.554 0.045 0.000 2.812 447 T HA 0.575 4.959 4.350 0.057 0.000 0.282 447 T C -0.604 174.119 174.700 0.037 0.000 0.990 447 T CA -0.729 61.400 62.100 0.049 0.000 0.960 447 T CB 1.566 70.464 68.868 0.049 0.000 0.948 447 T HN 0.429 nan 8.240 nan 0.000 0.438 448 E N 1.184 121.406 120.200 0.036 0.000 2.423 448 E HA 0.168 4.552 4.350 0.057 0.000 0.280 448 E C -1.418 175.196 176.600 0.022 0.000 1.030 448 E CA -0.785 55.629 56.400 0.024 0.000 0.812 448 E CB 1.639 31.347 29.700 0.014 0.000 1.313 448 E HN 0.541 nan 8.360 nan 0.000 0.456 449 D N 2.038 122.446 120.400 0.012 0.000 2.455 449 D HA 0.065 4.739 4.640 0.057 0.000 0.234 449 D C 0.701 176.995 176.300 -0.009 0.000 1.224 449 D CA -0.205 53.798 54.000 0.005 0.000 0.999 449 D CB 0.042 40.843 40.800 0.002 0.000 1.072 449 D HN 0.145 nan 8.370 nan 0.000 0.514 450 L N 3.102 124.319 121.223 -0.010 0.000 2.651 450 L HA -0.091 4.283 4.340 0.057 0.000 0.236 450 L C 1.398 178.218 176.870 -0.083 0.000 1.173 450 L CA 0.800 55.617 54.840 -0.039 0.000 0.843 450 L CB -1.184 40.858 42.059 -0.029 0.000 0.964 450 L HN 0.297 nan 8.230 nan 0.000 0.454 451 N N -0.152 118.510 118.700 -0.062 0.000 2.453 451 N HA 0.106 4.880 4.740 0.057 0.000 0.270 451 N C -0.717 174.766 175.510 -0.046 0.000 1.195 451 N CA 0.025 53.031 53.050 -0.073 0.000 0.902 451 N CB 0.290 38.742 38.487 -0.059 0.000 1.186 451 N HN 0.194 nan 8.380 nan 0.000 0.510 452 S N -1.916 113.760 115.700 -0.040 0.000 2.535 452 S HA 0.271 4.775 4.470 0.057 0.000 0.272 452 S C -0.218 174.366 174.600 -0.027 0.000 1.149 452 S CA -0.845 57.340 58.200 -0.026 0.000 0.888 452 S CB 1.156 64.347 63.200 -0.014 0.000 1.110 452 S HN -0.081 nan 8.310 nan 0.000 0.463 453 D N 1.604 121.991 120.400 -0.021 0.000 2.351 453 D HA -0.012 4.663 4.640 0.057 0.000 0.216 453 D C 1.185 177.475 176.300 -0.017 0.000 0.968 453 D CA 1.121 55.108 54.000 -0.021 0.000 0.899 453 D CB -0.031 40.760 40.800 -0.014 0.000 0.907 453 D HN 0.593 nan 8.370 nan 0.000 0.514 454 K N -0.200 120.192 120.400 -0.013 0.000 2.098 454 K HA 0.134 4.489 4.320 0.057 0.000 0.203 454 K C 2.122 178.716 176.600 -0.011 0.000 1.051 454 K CA 0.917 57.198 56.287 -0.010 0.000 0.957 454 K CB -0.539 31.958 32.500 -0.005 0.000 0.738 454 K HN 0.087 nan 8.250 nan 0.000 0.447 455 G N 1.430 110.223 108.800 -0.012 0.000 2.414 455 G HA2 -0.182 3.812 3.960 0.057 0.000 0.215 455 G HA3 -0.182 3.812 3.960 0.057 0.000 0.215 455 G C 1.587 176.477 174.900 -0.017 0.000 1.188 455 G CA 0.737 45.831 45.100 -0.010 0.000 0.783 455 G HN 0.156 nan 8.290 nan 0.000 0.537 456 I N 0.655 121.210 120.570 -0.025 0.000 2.248 456 I HA -0.209 3.996 4.170 0.057 0.000 0.248 456 I C 2.636 178.732 176.117 -0.034 0.000 1.107 456 I CA 0.953 62.234 61.300 -0.032 0.000 1.373 456 I CB -0.210 37.766 38.000 -0.039 0.000 1.055 456 I HN 0.166 nan 8.210 nan 0.000 0.418 457 I N 0.019 120.571 120.570 -0.030 0.000 2.286 457 I HA -0.207 3.997 4.170 0.057 0.000 0.245 457 I C 2.613 178.714 176.117 -0.026 0.000 1.104 457 I CA 1.027 62.309 61.300 -0.030 0.000 1.397 457 I CB -0.339 37.647 38.000 -0.023 0.000 1.072 457 I HN 0.200 nan 8.210 nan 0.000 0.417 458 E N 0.591 120.780 120.200 -0.018 0.000 2.110 458 E HA -0.147 4.238 4.350 0.057 0.000 0.193 458 E C 2.370 178.960 176.600 -0.017 0.000 0.988 458 E CA 1.005 57.398 56.400 -0.011 0.000 0.804 458 E CB -0.170 29.529 29.700 -0.001 0.000 0.745 458 E HN 0.264 nan 8.360 nan 0.000 0.458 459 V N 0.607 120.505 119.914 -0.027 0.000 2.237 459 V HA -0.251 3.903 4.120 0.057 0.000 0.245 459 V C 2.604 178.650 176.094 -0.081 0.000 1.046 459 V CA 1.570 63.842 62.300 -0.047 0.000 1.007 459 V CB -0.601 31.197 31.823 -0.042 0.000 0.638 459 V HN 0.073 nan 8.190 nan 0.000 0.445 460 V N -0.302 119.566 119.914 -0.076 0.000 2.282 460 V HA -0.348 3.807 4.120 0.057 0.000 0.249 460 V C 2.423 178.468 176.094 -0.081 0.000 1.057 460 V CA 2.473 64.717 62.300 -0.093 0.000 1.032 460 V CB -0.686 31.091 31.823 -0.076 0.000 0.645 460 V HN 0.635 nan 8.190 nan 0.000 0.447 461 E N -0.449 119.721 120.200 -0.051 0.000 2.085 461 E HA -0.285 4.100 4.350 0.057 0.000 0.194 461 E C 2.373 178.967 176.600 -0.011 0.000 0.994 461 E CA 1.635 58.015 56.400 -0.032 0.000 0.801 461 E CB -0.073 29.615 29.700 -0.020 0.000 0.743 461 E HN 0.682 nan 8.360 nan 0.000 0.453 462 Q N -0.355 119.446 119.800 0.002 0.000 2.119 462 Q HA -0.125 4.250 4.340 0.057 0.000 0.201 462 Q C 2.323 178.385 176.000 0.103 0.000 0.972 462 Q CA 1.336 57.189 55.803 0.083 0.000 0.847 462 Q CB 0.175 28.960 28.738 0.078 0.000 0.903 462 Q HN 0.215 nan 8.270 nan 0.000 0.433 463 V N 1.231 121.072 119.914 -0.121 0.000 2.261 463 V HA -0.276 3.878 4.120 0.057 0.000 0.246 463 V C 2.478 178.506 176.094 -0.110 0.000 1.047 463 V CA 2.027 64.115 62.300 -0.353 0.000 1.015 463 V CB -1.009 30.468 31.823 -0.577 0.000 0.642 463 V HN 0.469 nan 8.190 nan 0.000 0.446 464 S N -0.091 115.562 115.700 -0.078 0.000 2.420 464 S HA -0.272 4.232 4.470 0.057 0.000 0.237 464 S C 2.133 176.736 174.600 0.004 0.000 1.023 464 S CA 1.867 60.045 58.200 -0.036 0.000 0.991 464 S CB -0.767 62.401 63.200 -0.053 0.000 0.792 464 S HN 0.540 nan 8.310 nan 0.000 0.488 465 S N 0.901 116.613 115.700 0.020 0.000 2.356 465 S HA -0.026 4.479 4.470 0.057 0.000 0.223 465 S C 1.248 175.786 174.600 -0.103 0.000 1.032 465 S CA 1.193 59.356 58.200 -0.062 0.000 1.005 465 S CB -0.631 62.512 63.200 -0.094 0.000 0.867 465 S HN 0.599 nan 8.310 nan 0.000 0.449 466 F N 0.492 120.472 119.950 0.050 0.000 2.789 466 F HA 0.351 4.913 4.527 0.058 0.000 0.300 466 F C 1.889 177.787 175.800 0.163 0.000 1.132 466 F CA 0.186 58.269 58.000 0.139 0.000 1.404 466 F CB -0.022 39.156 39.000 0.297 0.000 1.114 466 F HN 0.221 nan 8.300 nan 0.000 0.584 467 M N 0.292 120.048 119.600 0.259 0.000 2.465 467 M HA 0.075 4.589 4.480 0.057 0.000 0.249 467 M C 0.527 176.877 176.300 0.083 0.000 1.130 467 M CA 0.316 55.731 55.300 0.191 0.000 1.067 467 M CB -0.627 32.062 32.600 0.149 0.000 1.394 467 M HN 0.027 nan 8.290 nan 0.000 0.483 468 K N 0.398 120.822 120.400 0.039 0.000 2.451 468 K HA 0.334 4.688 4.320 0.057 0.000 0.280 468 K C 1.038 177.644 176.600 0.009 0.000 1.020 468 K CA 0.848 57.136 56.287 0.002 0.000 1.008 468 K CB 0.075 32.562 32.500 -0.022 0.000 0.917 468 K HN 0.288 nan 8.250 nan 0.000 0.478 469 G N 1.545 110.344 108.800 -0.001 0.000 2.241 469 G HA2 -0.252 3.742 3.960 0.057 0.000 0.244 469 G HA3 -0.252 3.742 3.960 0.057 0.000 0.244 469 G C -0.323 174.585 174.900 0.014 0.000 0.998 469 G CA 0.185 45.286 45.100 0.001 0.000 0.621 469 G HN 0.556 nan 8.290 nan 0.000 0.519 470 K N 0.665 121.084 120.400 0.032 0.000 2.130 470 K HA 0.674 5.028 4.320 0.057 0.000 0.268 470 K C 1.021 177.644 176.600 0.037 0.000 0.983 470 K CA -0.328 55.989 56.287 0.049 0.000 0.893 470 K CB 1.432 33.986 32.500 0.090 0.000 1.066 470 K HN 0.235 nan 8.250 nan 0.000 0.450 471 E N 1.047 121.276 120.200 0.048 0.000 2.190 471 E HA 0.128 4.512 4.350 0.057 0.000 0.191 471 E C -0.219 176.461 176.600 0.133 0.000 0.978 471 E CA 0.401 56.831 56.400 0.050 0.000 0.839 471 E CB 0.461 30.188 29.700 0.044 0.000 0.787 471 E HN 0.267 nan 8.360 nan 0.000 0.473 472 L N -0.334 120.979 121.223 0.151 0.000 2.472 472 L HA 0.577 4.952 4.340 0.057 0.000 0.260 472 L C -1.133 175.837 176.870 0.166 0.000 0.963 472 L CA -0.657 54.304 54.840 0.200 0.000 0.829 472 L CB 2.211 44.388 42.059 0.196 0.000 1.348 472 L HN 0.054 nan 8.230 nan 0.000 0.408 473 G N 3.210 112.119 108.800 0.180 0.000 2.659 473 G HA2 0.662 4.657 3.960 0.057 0.000 0.296 473 G HA3 0.662 4.657 3.960 0.057 0.000 0.296 473 G C -2.054 172.923 174.900 0.128 0.000 1.369 473 G CA -0.506 44.695 45.100 0.168 0.000 0.937 473 G HN 0.431 nan 8.290 nan 0.000 0.485 474 L N 0.831 122.059 121.223 0.009 0.000 2.346 474 L HA 0.770 5.144 4.340 0.057 0.000 0.276 474 L C 0.216 176.983 176.870 -0.172 0.000 1.006 474 L CA -0.919 53.836 54.840 -0.142 0.000 0.817 474 L CB 2.240 44.168 42.059 -0.218 0.000 1.272 474 L HN 0.690 nan 8.230 nan 0.000 0.421 475 A N 3.242 125.872 122.820 -0.317 0.000 2.330 475 A HA 0.777 5.132 4.320 0.057 0.000 0.313 475 A C -1.319 175.850 177.584 -0.692 0.000 1.124 475 A CA -0.306 51.590 52.037 -0.235 0.000 0.774 475 A CB 0.544 19.536 19.000 -0.013 0.000 1.198 475 A HN 0.473 nan 8.150 nan 0.000 0.465 476 F N 2.794 122.566 119.950 -0.297 0.000 2.375 476 F HA 0.500 5.062 4.527 0.058 0.000 0.361 476 F C 0.083 175.495 175.800 -0.645 0.000 1.117 476 F CA -0.459 57.067 58.000 -0.790 0.000 1.037 476 F CB 1.320 39.453 39.000 -1.445 0.000 1.192 476 F HN 0.360 nan 8.300 nan 0.000 0.452 477 I N 3.294 123.726 120.570 -0.230 0.000 2.377 477 I HA 0.652 4.857 4.170 0.057 0.000 0.293 477 I C -0.165 176.143 176.117 0.318 0.000 0.987 477 I CA -0.871 60.479 61.300 0.084 0.000 1.185 477 I CB 1.644 39.711 38.000 0.112 0.000 1.341 477 I HN 0.604 nan 8.210 nan 0.000 0.455 478 A N 5.376 128.451 122.820 0.425 0.000 2.291 478 A HA 0.901 5.255 4.320 0.057 0.000 0.311 478 A C -0.506 177.251 177.584 0.290 0.000 1.224 478 A CA -0.391 51.890 52.037 0.407 0.000 0.821 478 A CB 1.064 20.284 19.000 0.366 0.000 1.172 478 A HN 0.828 nan 8.150 nan 0.000 0.494 479 A N 2.824 125.826 122.820 0.303 0.000 2.469 479 A HA 0.804 5.158 4.320 0.057 0.000 0.299 479 A C 0.193 177.929 177.584 0.253 0.000 1.098 479 A CA -0.865 51.338 52.037 0.278 0.000 0.737 479 A CB 0.967 20.197 19.000 0.382 0.000 1.312 479 A HN 0.868 nan 8.150 nan 0.000 0.414 480 R N 0.333 120.933 120.500 0.167 0.000 2.919 480 R HA 0.094 4.468 4.340 0.057 0.000 0.284 480 R C 0.057 176.474 176.300 0.195 0.000 1.104 480 R CA -0.270 55.913 56.100 0.137 0.000 1.207 480 R CB 0.218 30.564 30.300 0.078 0.000 1.162 480 R HN 0.754 nan 8.270 nan 0.000 0.561 481 N N 0.691 119.483 118.700 0.155 0.000 2.373 481 N HA -0.021 4.753 4.740 0.057 0.000 0.181 481 N C 0.996 176.592 175.510 0.142 0.000 1.082 481 N CA 0.430 53.591 53.050 0.186 0.000 0.885 481 N CB 0.240 38.806 38.487 0.131 0.000 0.977 481 N HN 0.370 nan 8.380 nan 0.000 0.462 482 K N 0.657 121.106 120.400 0.081 0.000 2.103 482 K HA -0.052 4.302 4.320 0.057 0.000 0.207 482 K C 0.167 176.763 176.600 -0.006 0.000 1.048 482 K CA 0.440 56.750 56.287 0.039 0.000 0.930 482 K CB -0.181 32.331 32.500 0.020 0.000 0.716 482 K HN 0.040 nan 8.250 nan 0.000 0.444 483 L N 2.227 123.394 121.223 -0.093 0.000 2.615 483 L HA -0.116 4.258 4.340 0.057 0.000 0.284 483 L C 0.718 177.481 176.870 -0.177 0.000 1.237 483 L CA 0.475 55.135 54.840 -0.301 0.000 0.905 483 L CB 0.123 41.632 42.059 -0.917 0.000 1.149 483 L HN 0.144 nan 8.230 nan 0.000 0.499 484 S N 1.378 116.995 115.700 -0.138 0.000 2.608 484 S HA 0.174 4.678 4.470 0.057 0.000 0.261 484 S C 1.263 175.885 174.600 0.036 0.000 1.314 484 S CA -0.335 57.849 58.200 -0.026 0.000 0.992 484 S CB 0.991 64.165 63.200 -0.043 0.000 0.935 484 S HN 0.585 nan 8.310 nan 0.000 0.564 485 S N 0.460 116.234 115.700 0.123 0.000 2.368 485 S HA -0.148 4.357 4.470 0.057 0.000 0.225 485 S C 1.834 176.532 174.600 0.162 0.000 1.030 485 S CA 1.288 59.615 58.200 0.212 0.000 0.999 485 S CB -0.599 62.692 63.200 0.152 0.000 0.844 485 S HN 0.893 nan 8.310 nan 0.000 0.459 486 E N 1.419 121.656 120.200 0.061 0.000 2.058 486 E HA -0.224 4.161 4.350 0.057 0.000 0.194 486 E C 1.828 178.442 176.600 0.023 0.000 0.997 486 E CA 1.164 57.583 56.400 0.031 0.000 0.801 486 E CB -0.069 29.608 29.700 -0.038 0.000 0.746 486 E HN 0.393 nan 8.360 nan 0.000 0.450 487 K N -0.553 119.823 120.400 -0.040 0.000 2.097 487 K HA -0.124 4.231 4.320 0.057 0.000 0.206 487 K C 2.036 178.599 176.600 -0.061 0.000 1.049 487 K CA 1.203 57.430 56.287 -0.100 0.000 0.933 487 K CB -0.190 32.186 32.500 -0.206 0.000 0.717 487 K HN 0.150 nan 8.250 nan 0.000 0.442 488 F N 1.533 121.511 119.950 0.047 0.000 2.113 488 F HA -0.147 4.414 4.527 0.057 0.000 0.297 488 F C 2.517 178.371 175.800 0.090 0.000 1.103 488 F CA 1.328 59.369 58.000 0.068 0.000 1.248 488 F CB -0.577 38.472 39.000 0.081 0.000 0.999 488 F HN 0.060 nan 8.300 nan 0.000 0.475 489 E N 0.386 120.769 120.200 0.305 0.000 2.085 489 E HA -0.214 4.170 4.350 0.057 0.000 0.194 489 E C 2.116 178.799 176.600 0.138 0.000 0.994 489 E CA 1.665 58.227 56.400 0.270 0.000 0.801 489 E CB -0.280 29.567 29.700 0.244 0.000 0.743 489 E HN 0.367 nan 8.360 nan 0.000 0.453 490 E N -0.224 120.014 120.200 0.063 0.000 2.106 490 E HA -0.148 4.237 4.350 0.057 0.000 0.192 490 E C 2.150 178.726 176.600 -0.041 0.000 0.984 490 E CA 1.166 57.551 56.400 -0.025 0.000 0.806 490 E CB -0.089 29.593 29.700 -0.030 0.000 0.750 490 E HN 0.430 nan 8.360 nan 0.000 0.458 491 I N 0.865 121.448 120.570 0.020 0.000 2.252 491 I HA -0.268 3.936 4.170 0.057 0.000 0.245 491 I C 2.348 178.477 176.117 0.021 0.000 1.102 491 I CA 1.088 62.400 61.300 0.021 0.000 1.385 491 I CB -0.180 37.865 38.000 0.075 0.000 1.064 491 I HN -0.012 nan 8.210 nan 0.000 0.414 492 K N 0.374 120.825 120.400 0.085 0.000 2.097 492 K HA -0.161 4.193 4.320 0.057 0.000 0.205 492 K C 2.284 178.803 176.600 -0.134 0.000 1.050 492 K CA 0.985 57.351 56.287 0.132 0.000 0.938 492 K CB -0.143 32.570 32.500 0.355 0.000 0.718 492 K HN 0.250 nan 8.250 nan 0.000 0.442 493 R N 0.973 121.175 120.500 -0.497 0.000 2.062 493 R HA -0.018 4.356 4.340 0.057 0.000 0.226 493 R C 2.293 178.309 176.300 -0.474 0.000 1.125 493 R CA 0.775 56.201 56.100 -1.123 0.000 0.966 493 R CB 0.100 29.716 30.300 -1.139 0.000 0.861 493 R HN -0.011 nan 8.270 nan 0.000 0.433 494 R N 0.677 121.015 120.500 -0.270 0.000 2.083 494 R HA -0.137 4.238 4.340 0.057 0.000 0.237 494 R C 2.324 178.552 176.300 -0.120 0.000 1.137 494 R CA 1.349 57.352 56.100 -0.162 0.000 0.951 494 R CB -0.658 29.574 30.300 -0.114 0.000 0.851 494 R HN 0.332 nan 8.270 nan 0.000 0.434 495 L N -0.569 120.604 121.223 -0.083 0.000 2.201 495 L HA -0.145 4.229 4.340 0.057 0.000 0.212 495 L C 2.234 179.109 176.870 0.009 0.000 1.105 495 L CA 0.716 55.530 54.840 -0.044 0.000 0.775 495 L CB -0.310 41.742 42.059 -0.011 0.000 0.913 495 L HN 0.071 nan 8.230 nan 0.000 0.440 496 F N 0.624 120.532 119.950 -0.071 0.000 2.456 496 F HA -0.075 4.486 4.527 0.057 0.000 0.298 496 F C 2.198 177.985 175.800 -0.021 0.000 1.104 496 F CA 0.800 58.817 58.000 0.029 0.000 1.435 496 F CB -0.243 38.881 39.000 0.206 0.000 1.078 496 F HN 0.087 nan 8.300 nan 0.000 0.546 497 N N 0.784 119.383 118.700 -0.169 0.000 2.348 497 N HA -0.106 4.668 4.740 0.057 0.000 0.185 497 N C 1.301 176.650 175.510 -0.267 0.000 1.019 497 N CA 1.094 54.018 53.050 -0.210 0.000 0.880 497 N CB -0.261 38.148 38.487 -0.130 0.000 0.965 497 N HN 0.365 nan 8.380 nan 0.000 0.437 498 L N 0.318 121.401 121.223 -0.234 0.000 2.791 498 L HA 0.207 4.581 4.340 0.057 0.000 0.239 498 L C -0.135 176.628 176.870 -0.179 0.000 1.203 498 L CA -0.179 54.556 54.840 -0.175 0.000 1.002 498 L CB -0.234 41.760 42.059 -0.110 0.000 1.295 498 L HN -0.048 nan 8.230 nan 0.000 0.504 499 N N -0.467 118.011 118.700 -0.371 0.000 2.747 499 N HA -0.141 4.634 4.740 0.057 0.000 0.249 499 N C -0.608 174.913 175.510 0.018 0.000 1.107 499 N CA 0.500 53.390 53.050 -0.268 0.000 0.707 499 N CB -1.565 36.857 38.487 -0.110 0.000 1.054 499 N HN 0.088 nan 8.380 nan 0.000 0.555 500 V N 1.760 121.700 119.914 0.043 0.000 2.334 500 V HA 0.370 4.524 4.120 0.057 0.000 0.281 500 V C 0.569 176.841 176.094 0.297 0.000 1.016 500 V CA -0.789 61.622 62.300 0.184 0.000 0.832 500 V CB 1.469 33.375 31.823 0.139 0.000 0.999 500 V HN 0.055 nan 8.190 nan 0.000 0.439 501 I N 4.614 125.352 120.570 0.279 0.000 2.519 501 I HA 0.414 4.618 4.170 0.057 0.000 0.287 501 I C 0.654 176.798 176.117 0.046 0.000 1.047 501 I CA 0.517 61.971 61.300 0.258 0.000 1.381 501 I CB 1.419 39.515 38.000 0.161 0.000 1.417 501 I HN 0.736 nan 8.210 nan 0.000 0.540 502 S N 5.192 120.917 115.700 0.041 0.000 2.570 502 S HA 0.664 5.168 4.470 0.057 0.000 0.286 502 S C -0.809 173.711 174.600 -0.134 0.000 1.099 502 S CA -0.851 57.280 58.200 -0.116 0.000 0.913 502 S CB 2.760 65.950 63.200 -0.017 0.000 1.085 502 S HN 0.482 nan 8.310 nan 0.000 0.480 503 Q N 1.510 121.156 119.800 -0.258 0.000 2.320 503 Q HA 0.576 4.950 4.340 0.057 0.000 0.268 503 Q C -1.631 174.329 176.000 -0.066 0.000 1.023 503 Q CA -0.593 55.133 55.803 -0.127 0.000 0.744 503 Q CB 1.528 30.222 28.738 -0.074 0.000 1.246 503 Q HN 0.694 nan 8.270 nan 0.000 0.462 504 V N 4.192 124.093 119.914 -0.021 0.000 2.509 504 V HA 0.607 4.761 4.120 0.057 0.000 0.284 504 V C -0.425 175.698 176.094 0.048 0.000 1.047 504 V CA -0.578 61.724 62.300 0.003 0.000 0.952 504 V CB 1.732 33.477 31.823 -0.128 0.000 0.988 504 V HN 0.607 nan 8.190 nan 0.000 0.469 505 V N 4.720 124.736 119.914 0.169 0.000 2.482 505 V HA 0.381 4.535 4.120 0.057 0.000 0.295 505 V C -0.246 175.958 176.094 0.182 0.000 1.026 505 V CA -1.054 61.363 62.300 0.195 0.000 0.856 505 V CB 1.746 33.779 31.823 0.349 0.000 1.001 505 V HN 1.071 nan 8.190 nan 0.000 0.424 506 N N 2.370 121.136 118.700 0.111 0.000 2.413 506 N HA 0.232 5.007 4.740 0.057 0.000 0.266 506 N C 0.885 176.480 175.510 0.141 0.000 1.238 506 N CA -0.658 52.482 53.050 0.150 0.000 0.972 506 N CB 0.860 39.425 38.487 0.131 0.000 1.210 506 N HN 0.659 nan 8.380 nan 0.000 0.547 507 E N -0.793 119.491 120.200 0.140 0.000 2.160 507 E HA -0.316 4.068 4.350 0.057 0.000 0.195 507 E C 0.825 177.470 176.600 0.075 0.000 0.991 507 E CA 1.191 57.654 56.400 0.104 0.000 0.810 507 E CB -0.074 29.681 29.700 0.092 0.000 0.742 507 E HN 0.695 nan 8.360 nan 0.000 0.466 508 D N -0.469 119.976 120.400 0.075 0.000 2.108 508 D HA -0.177 4.497 4.640 0.057 0.000 0.190 508 D C 1.714 178.045 176.300 0.052 0.000 0.995 508 D CA 2.171 56.204 54.000 0.055 0.000 0.834 508 D CB -0.087 40.747 40.800 0.057 0.000 0.967 508 D HN 0.156 nan 8.370 nan 0.000 0.446 509 T N 1.402 115.998 114.554 0.069 0.000 2.699 509 T HA -0.150 4.234 4.350 0.057 0.000 0.268 509 T C 2.138 176.893 174.700 0.092 0.000 1.036 509 T CA 0.867 63.014 62.100 0.078 0.000 1.147 509 T CB -0.352 68.569 68.868 0.088 0.000 0.862 509 T HN 0.195 nan 8.240 nan 0.000 0.446 510 L N 0.037 121.328 121.223 0.113 0.000 2.127 510 L HA -0.112 4.262 4.340 0.057 0.000 0.211 510 L C 2.682 179.524 176.870 -0.046 0.000 1.089 510 L CA 1.409 56.337 54.840 0.147 0.000 0.757 510 L CB -0.338 41.828 42.059 0.179 0.000 0.899 510 L HN 0.217 nan 8.230 nan 0.000 0.434 511 K N -0.608 119.764 120.400 -0.046 0.000 2.168 511 K HA 0.029 4.383 4.320 0.057 0.000 0.201 511 K C 1.425 177.973 176.600 -0.087 0.000 1.049 511 K CA 0.599 56.823 56.287 -0.105 0.000 0.974 511 K CB 0.241 32.704 32.500 -0.060 0.000 0.792 511 K HN 0.278 nan 8.250 nan 0.000 0.463 512 N N 0.517 119.197 118.700 -0.034 0.000 2.280 512 N HA -0.005 4.769 4.740 0.057 0.000 0.192 512 N C 0.051 175.558 175.510 -0.004 0.000 1.109 512 N CA 0.444 53.481 53.050 -0.022 0.000 0.855 512 N CB 0.652 39.137 38.487 -0.004 0.000 0.974 512 N HN -0.065 nan 8.380 nan 0.000 0.482 513 K N 1.290 121.698 120.400 0.014 0.000 2.981 513 K HA 0.252 4.606 4.320 0.057 0.000 0.213 513 K C 0.182 176.811 176.600 0.049 0.000 1.154 513 K CA -0.134 56.180 56.287 0.045 0.000 1.111 513 K CB 0.948 33.495 32.500 0.078 0.000 0.975 513 K HN 0.145 nan 8.250 nan 0.000 0.462 514 R N 0.451 120.953 120.500 0.004 0.000 2.543 514 R HA 0.184 4.558 4.340 0.057 0.000 0.268 514 R C -0.295 176.010 176.300 0.009 0.000 1.067 514 R CA -0.658 55.448 56.100 0.009 0.000 1.142 514 R CB 0.590 30.839 30.300 -0.085 0.000 1.110 514 R HN 0.027 nan 8.270 nan 0.000 0.549 515 D N 0.324 120.738 120.400 0.025 0.000 2.308 515 D HA 0.059 4.734 4.640 0.057 0.000 0.251 515 D C 0.478 176.755 176.300 -0.037 0.000 1.127 515 D CA -0.026 53.985 54.000 0.017 0.000 0.876 515 D CB 1.085 41.915 40.800 0.049 0.000 1.176 515 D HN 0.265 nan 8.370 nan 0.000 0.446 516 K N 2.250 122.581 120.400 -0.115 0.000 2.211 516 K HA -0.176 4.178 4.320 0.057 0.000 0.204 516 K C 0.691 177.043 176.600 -0.414 0.000 1.047 516 K CA 1.141 57.249 56.287 -0.297 0.000 0.935 516 K CB -0.000 32.231 32.500 -0.448 0.000 0.728 516 K HN 0.584 nan 8.250 nan 0.000 0.452 517 Y N -0.311 119.993 120.300 0.006 0.000 2.462 517 Y HA 0.107 4.661 4.550 0.006 0.000 0.261 517 Y C 0.043 175.953 175.900 0.016 0.000 1.146 517 Y CA -0.194 57.913 58.100 0.012 0.000 1.283 517 Y CB 0.687 39.156 38.460 0.014 0.000 1.090 517 Y HN -0.095 nan 8.280 nan 0.000 0.526 518 D N -0.219 120.243 120.400 0.102 0.000 2.337 518 D HA 0.118 4.792 4.640 0.057 0.000 0.238 518 D C 0.369 176.703 176.300 0.056 0.000 1.331 518 D CA -0.419 53.630 54.000 0.082 0.000 0.967 518 D CB 0.560 41.413 40.800 0.089 0.000 1.382 518 D HN 0.313 nan 8.370 nan 0.000 0.549 519 R N 1.622 122.135 120.500 0.022 0.000 2.377 519 R HA 0.112 4.486 4.340 0.057 0.000 0.207 519 R C 0.081 176.382 176.300 0.002 0.000 1.075 519 R CA 0.694 56.781 56.100 -0.021 0.000 1.035 519 R CB -0.187 30.080 30.300 -0.056 0.000 0.857 519 R HN 0.030 nan 8.270 nan 0.000 0.475 520 N N 0.653 119.426 118.700 0.123 0.000 2.338 520 N HA 0.087 4.861 4.740 0.057 0.000 0.251 520 N C -0.965 174.807 175.510 0.437 0.000 1.199 520 N CA -0.105 53.120 53.050 0.291 0.000 0.879 520 N CB 0.747 39.336 38.487 0.170 0.000 1.159 520 N HN 0.254 nan 8.380 nan 0.000 0.514 521 R N 0.816 121.555 120.500 0.398 0.000 2.584 521 R HA 0.261 4.635 4.340 0.057 0.000 0.276 521 R C -1.284 175.176 176.300 0.267 0.000 1.046 521 R CA -0.598 55.634 56.100 0.219 0.000 0.906 521 R CB 1.386 31.723 30.300 0.062 0.000 1.215 521 R HN -0.115 nan 8.270 nan 0.000 0.449 522 L N 2.617 123.946 121.223 0.178 0.000 2.467 522 L HA 0.115 4.489 4.340 0.057 0.000 0.270 522 L C 0.303 177.186 176.870 0.023 0.000 1.205 522 L CA 0.616 55.552 54.840 0.159 0.000 0.828 522 L CB 0.462 42.557 42.059 0.060 0.000 1.101 522 L HN 0.636 nan 8.230 nan 0.000 0.479 523 D N 1.919 122.347 120.400 0.046 0.000 2.583 523 D HA -0.153 4.522 4.640 0.057 0.000 0.232 523 D C 1.063 177.358 176.300 -0.008 0.000 1.128 523 D CA 0.049 54.074 54.000 0.041 0.000 0.859 523 D CB 0.774 41.630 40.800 0.093 0.000 1.169 523 D HN 0.542 nan 8.370 nan 0.000 0.481 524 L N 5.916 127.146 121.223 0.011 0.000 2.265 524 L HA -0.095 4.279 4.340 0.057 0.000 0.215 524 L C 1.695 178.616 176.870 0.086 0.000 1.117 524 L CA 1.351 56.182 54.840 -0.014 0.000 0.782 524 L CB -0.684 41.398 42.059 0.037 0.000 0.914 524 L HN 0.541 nan 8.230 nan 0.000 0.441 525 F N -1.109 118.837 119.950 -0.007 0.000 2.128 525 F HA -0.113 4.448 4.527 0.057 0.000 0.295 525 F C 2.133 177.919 175.800 -0.023 0.000 1.100 525 F CA 1.786 59.787 58.000 0.003 0.000 1.260 525 F CB -0.672 38.326 39.000 -0.003 0.000 1.009 525 F HN -0.116 nan 8.300 nan 0.000 0.476 526 V N 1.416 121.249 119.914 -0.135 0.000 2.332 526 V HA -0.306 3.848 4.120 0.057 0.000 0.248 526 V C 2.607 178.540 176.094 -0.267 0.000 1.055 526 V CA 2.258 64.422 62.300 -0.228 0.000 1.038 526 V CB -0.739 31.067 31.823 -0.029 0.000 0.651 526 V HN 0.290 nan 8.190 nan 0.000 0.450 527 R N -0.946 119.385 120.500 -0.282 0.000 2.105 527 R HA -0.201 4.173 4.340 0.057 0.000 0.239 527 R C 2.244 178.271 176.300 -0.456 0.000 1.135 527 R CA 2.001 57.833 56.100 -0.447 0.000 0.967 527 R CB -0.446 29.330 30.300 -0.873 0.000 0.861 527 R HN 0.625 nan 8.270 nan 0.000 0.442 528 H N -0.052 118.702 119.070 -0.528 0.000 2.389 528 H HA 0.006 4.596 4.556 0.055 0.000 0.299 528 H C 1.896 176.523 175.328 -1.169 0.000 1.081 528 H CA 1.340 56.910 56.048 -0.796 0.000 1.345 528 H CB 0.101 29.457 29.762 -0.676 0.000 1.393 528 H HN 0.168 nan 8.280 nan 0.000 0.520 529 N N 0.199 118.495 118.700 -0.673 0.000 2.244 529 N HA -0.101 4.673 4.740 0.057 0.000 0.183 529 N C 1.826 177.180 175.510 -0.260 0.000 1.016 529 N CA 0.643 53.413 53.050 -0.466 0.000 0.866 529 N CB -0.029 38.209 38.487 -0.416 0.000 0.980 529 N HN 0.344 nan 8.380 nan 0.000 0.430 530 L N 0.287 121.383 121.223 -0.212 0.000 2.056 530 L HA -0.118 4.256 4.340 0.057 0.000 0.207 530 L C 2.267 179.085 176.870 -0.088 0.000 1.078 530 L CA 0.538 55.337 54.840 -0.068 0.000 0.749 530 L CB -0.314 41.765 42.059 0.033 0.000 0.901 530 L HN 0.102 nan 8.230 nan 0.000 0.433 531 L N -0.797 120.316 121.223 -0.183 0.000 2.042 531 L HA -0.225 4.150 4.340 0.057 0.000 0.210 531 L C 2.321 179.100 176.870 -0.153 0.000 1.076 531 L CA 1.845 56.574 54.840 -0.184 0.000 0.749 531 L CB -0.482 41.428 42.059 -0.249 0.000 0.893 531 L HN 0.021 nan 8.230 nan 0.000 0.432 532 F N -0.266 119.519 119.950 -0.276 0.000 2.134 532 F HA -0.182 4.380 4.527 0.058 0.000 0.299 532 F C 2.604 178.233 175.800 -0.284 0.000 1.097 532 F CA 1.130 58.810 58.000 -0.533 0.000 1.264 532 F CB -1.304 37.486 39.000 -0.350 0.000 1.001 532 F HN 0.236 nan 8.300 nan 0.000 0.479 533 Q N -0.107 119.732 119.800 0.065 0.000 2.050 533 Q HA -0.135 4.239 4.340 0.057 0.000 0.202 533 Q C 2.429 178.419 176.000 -0.017 0.000 0.980 533 Q CA 1.771 57.604 55.803 0.050 0.000 0.840 533 Q CB -0.550 28.211 28.738 0.038 0.000 0.898 533 Q HN 0.240 nan 8.270 nan 0.000 0.424 534 V N 0.890 120.785 119.914 -0.031 0.000 2.261 534 V HA -0.251 3.904 4.120 0.057 0.000 0.246 534 V C 2.195 178.233 176.094 -0.092 0.000 1.047 534 V CA 1.314 63.580 62.300 -0.056 0.000 1.015 534 V CB -0.518 31.300 31.823 -0.008 0.000 0.642 534 V HN 0.281 nan 8.190 nan 0.000 0.446 535 L N 1.167 122.341 121.223 -0.082 0.000 2.079 535 L HA -0.174 4.200 4.340 0.057 0.000 0.210 535 L C 2.739 179.610 176.870 0.001 0.000 1.081 535 L CA 2.494 57.303 54.840 -0.051 0.000 0.752 535 L CB -1.100 40.940 42.059 -0.031 0.000 0.896 535 L HN 0.604 nan 8.230 nan 0.000 0.433 536 S N -1.661 114.074 115.700 0.058 0.000 2.428 536 S HA -0.159 4.345 4.470 0.057 0.000 0.230 536 S C 1.821 176.267 174.600 -0.257 0.000 1.014 536 S CA 0.621 58.834 58.200 0.021 0.000 0.957 536 S CB -0.410 62.841 63.200 0.085 0.000 0.784 536 S HN 0.430 nan 8.310 nan 0.000 0.499 537 K N 0.791 121.045 120.400 -0.243 0.000 2.504 537 K HA 0.217 4.571 4.320 0.057 0.000 0.195 537 K C 0.742 177.079 176.600 -0.440 0.000 1.036 537 K CA 0.533 56.651 56.287 -0.282 0.000 0.984 537 K CB -0.234 32.164 32.500 -0.170 0.000 0.788 537 K HN 0.419 nan 8.250 nan 0.000 0.488 538 L N -0.182 120.685 121.223 -0.594 0.000 2.965 538 L HA 0.238 4.612 4.340 0.057 0.000 0.254 538 L C 0.755 176.863 176.870 -1.270 0.000 1.220 538 L CA -0.277 53.856 54.840 -1.178 0.000 1.023 538 L CB 0.552 42.341 42.059 -0.450 0.000 1.355 538 L HN 0.238 nan 8.230 nan 0.000 0.545 539 G N 0.681 109.037 108.800 -0.739 0.000 2.212 539 G HA2 -0.270 3.724 3.960 0.057 0.000 0.267 539 G HA3 -0.270 3.724 3.960 0.057 0.000 0.267 539 G C 0.282 175.120 174.900 -0.104 0.000 1.002 539 G CA 0.302 45.268 45.100 -0.222 0.000 0.729 539 G HN 0.188 nan 8.290 nan 0.000 0.517 540 V N 0.128 119.984 119.914 -0.096 0.000 2.455 540 V HA 0.317 4.471 4.120 0.057 0.000 0.273 540 V C 0.729 176.824 176.094 0.002 0.000 1.045 540 V CA -0.238 62.045 62.300 -0.028 0.000 0.976 540 V CB 1.449 33.271 31.823 -0.001 0.000 0.993 540 V HN 0.252 nan 8.190 nan 0.000 0.475 541 K N 5.208 125.488 120.400 -0.200 0.000 2.111 541 K HA 0.177 4.532 4.320 0.057 0.000 0.249 541 K C 0.398 176.851 176.600 -0.245 0.000 1.157 541 K CA -0.073 55.931 56.287 -0.472 0.000 1.048 541 K CB -0.487 31.478 32.500 -0.892 0.000 1.498 541 K HN 0.754 nan 8.250 nan 0.000 0.344 542 Y N 0.070 120.394 120.300 0.039 0.000 2.529 542 Y HA 0.117 4.701 4.550 0.057 0.000 0.290 542 Y C -0.028 176.056 175.900 0.308 0.000 1.177 542 Y CA -0.954 57.225 58.100 0.133 0.000 1.305 542 Y CB -0.746 37.829 38.460 0.192 0.000 1.047 542 Y HN 0.332 nan 8.280 nan 0.000 0.522 543 Y N -2.079 118.217 120.300 -0.007 0.000 2.665 543 Y HA 0.767 5.351 4.550 0.057 0.000 0.336 543 Y C -1.703 174.287 175.900 0.149 0.000 1.085 543 Y CA -2.520 55.674 58.100 0.158 0.000 1.096 543 Y CB 1.316 39.641 38.460 -0.225 0.000 1.301 543 Y HN -0.244 nan 8.280 nan 0.000 0.493 544 V N 2.515 122.410 119.914 -0.032 0.000 2.709 544 V HA 0.595 4.749 4.120 0.057 0.000 0.308 544 V C -1.782 174.255 176.094 -0.096 0.000 1.062 544 V CA -0.864 61.205 62.300 -0.385 0.000 0.901 544 V CB 1.862 33.083 31.823 -1.005 0.000 1.003 544 V HN 0.855 nan 8.190 nan 0.000 0.425 545 L N 5.109 126.243 121.223 -0.148 0.000 2.294 545 L HA 0.615 4.989 4.340 0.057 0.000 0.283 545 L C -0.189 176.633 176.870 -0.080 0.000 1.015 545 L CA 0.042 54.841 54.840 -0.067 0.000 0.831 545 L CB 1.230 43.269 42.059 -0.035 0.000 1.217 545 L HN 0.770 nan 8.230 nan 0.000 0.420 546 D N 4.242 124.617 120.400 -0.043 0.000 2.600 546 D HA 0.212 4.887 4.640 0.057 0.000 0.226 546 D C -1.391 174.938 176.300 0.049 0.000 1.119 546 D CA 0.652 54.637 54.000 -0.025 0.000 1.051 546 D CB -0.462 40.328 40.800 -0.017 0.000 1.106 546 D HN 0.498 nan 8.370 nan 0.000 0.491 547 Y N 0.468 120.661 120.300 -0.178 0.000 2.687 547 Y HA 0.341 4.925 4.550 0.057 0.000 0.338 547 Y C -1.676 174.058 175.900 -0.276 0.000 1.189 547 Y CA -1.112 56.842 58.100 -0.244 0.000 1.097 547 Y CB 1.031 39.301 38.460 -0.317 0.000 1.342 547 Y HN -0.032 nan 8.280 nan 0.000 0.461 548 R N 3.632 123.750 120.500 -0.636 0.000 2.574 548 R HA 0.462 4.837 4.340 0.057 0.000 0.288 548 R C -1.969 174.037 176.300 -0.490 0.000 1.004 548 R CA -0.823 55.053 56.100 -0.372 0.000 0.895 548 R CB 1.436 31.578 30.300 -0.263 0.000 1.191 548 R HN 0.539 nan 8.270 nan 0.000 0.444 549 F N 1.456 121.402 119.950 -0.007 0.000 2.396 549 F HA 0.156 4.717 4.527 0.057 0.000 0.343 549 F C 1.407 177.163 175.800 -0.072 0.000 1.104 549 F CA -0.413 57.638 58.000 0.084 0.000 1.161 549 F CB 0.750 39.898 39.000 0.247 0.000 1.146 549 F HN 0.405 nan 8.300 nan 0.000 0.522 550 N N 3.141 121.793 118.700 -0.080 0.000 3.111 550 N HA 0.080 4.854 4.740 0.057 0.000 0.302 550 N C -1.770 173.358 175.510 -0.637 0.000 1.317 550 N CA 0.277 53.117 53.050 -0.349 0.000 1.151 550 N CB -0.617 37.620 38.487 -0.416 0.000 1.456 550 N HN 0.381 nan 8.380 nan 0.000 0.547 551 Y N -1.695 118.629 120.300 0.040 0.000 2.597 551 Y HA 0.282 4.867 4.550 0.057 0.000 0.340 551 Y C 0.837 176.675 175.900 -0.103 0.000 1.097 551 Y CA -1.198 56.895 58.100 -0.013 0.000 1.037 551 Y CB 1.305 39.771 38.460 0.011 0.000 1.305 551 Y HN -0.011 nan 8.280 nan 0.000 0.463 552 D N 0.397 120.781 120.400 -0.026 0.000 2.123 552 D HA -0.074 4.601 4.640 0.057 0.000 0.200 552 D C -0.645 175.194 176.300 -0.768 0.000 0.976 552 D CA 1.991 55.744 54.000 -0.412 0.000 0.831 552 D CB 0.263 40.827 40.800 -0.395 0.000 0.974 552 D HN 0.349 nan 8.370 nan 0.000 0.469 553 Y N -0.995 119.339 120.300 0.056 0.000 2.544 553 Y HA 0.396 4.980 4.550 0.057 0.000 0.342 553 Y C -0.679 175.189 175.900 -0.054 0.000 1.062 553 Y CA -1.022 57.071 58.100 -0.011 0.000 1.023 553 Y CB 1.403 39.799 38.460 -0.106 0.000 1.308 553 Y HN -0.326 nan 8.280 nan 0.000 0.457 554 I N 3.859 124.477 120.570 0.080 0.000 2.362 554 I HA 0.457 4.661 4.170 0.057 0.000 0.289 554 I C -0.673 175.464 176.117 0.035 0.000 0.994 554 I CA -0.352 60.897 61.300 -0.085 0.000 1.158 554 I CB 1.046 38.885 38.000 -0.268 0.000 1.315 554 I HN 0.386 nan 8.210 nan 0.000 0.451 555 I N 5.036 125.611 120.570 0.010 0.000 2.436 555 I HA 0.574 4.778 4.170 0.057 0.000 0.289 555 I C 0.311 176.498 176.117 0.116 0.000 1.010 555 I CA -0.519 60.837 61.300 0.095 0.000 1.098 555 I CB 2.014 40.071 38.000 0.094 0.000 1.266 555 I HN 0.690 nan 8.210 nan 0.000 0.434 556 G N 6.597 115.504 108.800 0.178 0.000 2.368 556 G HA2 0.698 4.692 3.960 0.057 0.000 0.320 556 G HA3 0.698 4.692 3.960 0.057 0.000 0.320 556 G C -0.784 174.248 174.900 0.219 0.000 1.158 556 G CA -0.310 44.892 45.100 0.169 0.000 0.912 556 G HN 0.560 nan 8.290 nan 0.000 0.456 557 I N -0.705 120.001 120.570 0.226 0.000 3.170 557 I HA 0.985 5.190 4.170 0.057 0.000 0.312 557 I C -1.020 175.217 176.117 0.200 0.000 1.085 557 I CA -1.450 60.009 61.300 0.265 0.000 0.999 557 I CB 2.871 41.115 38.000 0.407 0.000 1.233 557 I HN 0.410 nan 8.210 nan 0.000 0.467 558 D N 0.799 121.306 120.400 0.179 0.000 2.787 558 D HA 0.503 5.177 4.640 0.057 0.000 0.215 558 D C -1.879 174.436 176.300 0.025 0.000 1.246 558 D CA -0.320 53.736 54.000 0.094 0.000 0.798 558 D CB 2.030 42.900 40.800 0.116 0.000 1.649 558 D HN 0.532 nan 8.370 nan 0.000 0.507 559 V N 1.793 121.651 119.914 -0.092 0.000 2.394 559 V HA 0.873 5.027 4.120 0.057 0.000 0.282 559 V C 0.181 176.227 176.094 -0.080 0.000 1.031 559 V CA -0.345 61.840 62.300 -0.190 0.000 0.881 559 V CB 1.097 32.702 31.823 -0.363 0.000 0.982 559 V HN 0.790 nan 8.190 nan 0.000 0.451 560 A N 6.171 128.963 122.820 -0.048 0.000 3.124 560 A HA 0.645 4.999 4.320 0.057 0.000 0.295 560 A C -2.897 174.692 177.584 0.007 0.000 1.199 560 A CA -1.132 50.892 52.037 -0.022 0.000 0.845 560 A CB 0.627 19.598 19.000 -0.049 0.000 1.381 560 A HN 0.630 nan 8.150 nan 0.000 0.537 561 P HA 0.265 nan 4.420 nan 0.000 0.261 561 P C -0.408 176.979 177.300 0.146 0.000 1.183 561 P CA 0.679 63.851 63.100 0.121 0.000 0.761 561 P CB 0.345 32.157 31.700 0.186 0.000 0.785 562 M N 3.111 122.701 119.600 -0.017 0.000 2.284 562 M HA 0.314 4.829 4.480 0.057 0.000 0.281 562 M C -1.224 174.687 176.300 -0.648 0.000 1.083 562 M CA -0.698 54.474 55.300 -0.213 0.000 0.965 562 M CB 1.909 34.446 32.600 -0.105 0.000 1.717 562 M HN -0.037 nan 8.290 nan 0.000 0.479 563 K N 4.047 123.556 120.400 -1.485 0.000 2.249 563 K HA 0.645 5.000 4.320 0.057 0.000 0.280 563 K C -0.911 175.356 176.600 -0.554 0.000 1.033 563 K CA -0.224 55.357 56.287 -1.176 0.000 0.946 563 K CB 0.775 32.364 32.500 -1.518 0.000 1.005 563 K HN 0.837 nan 8.250 nan 0.000 0.469 564 R N 1.666 121.962 120.500 -0.339 0.000 2.774 564 R HA 0.202 4.576 4.340 0.057 0.000 0.272 564 R C -0.800 175.427 176.300 -0.120 0.000 1.000 564 R CA -0.994 54.995 56.100 -0.184 0.000 0.906 564 R CB 1.878 32.097 30.300 -0.135 0.000 1.227 564 R HN 0.596 nan 8.270 nan 0.000 0.468 565 S N 3.202 118.855 115.700 -0.078 0.000 3.712 565 S HA -0.131 4.373 4.470 0.057 0.000 0.442 565 S C 0.406 174.984 174.600 -0.037 0.000 1.086 565 S CA 0.878 59.048 58.200 -0.049 0.000 1.356 565 S CB -0.358 62.822 63.200 -0.033 0.000 0.876 565 S HN 0.592 nan 8.310 nan 0.000 0.547 566 E N 1.243 121.426 120.200 -0.029 0.000 2.369 566 E HA -0.216 4.168 4.350 0.057 0.000 0.165 566 E C 0.456 177.052 176.600 -0.008 0.000 1.622 566 E CA 1.021 57.416 56.400 -0.008 0.000 0.660 566 E CB -1.259 28.438 29.700 -0.005 0.000 1.085 566 E HN 0.881 nan 8.360 nan 0.000 0.346 567 G N 1.362 110.159 108.800 -0.005 0.000 2.861 567 G HA2 0.137 4.132 3.960 0.057 0.000 0.140 567 G HA3 0.137 4.132 3.960 0.057 0.000 0.140 567 G C -0.147 174.801 174.900 0.081 0.000 1.440 567 G CA 0.146 45.247 45.100 0.001 0.000 0.907 567 G HN 0.477 nan 8.290 nan 0.000 0.686 568 Y N 0.954 121.167 120.300 -0.145 0.000 2.823 568 Y HA -0.167 4.417 4.550 0.057 0.000 0.067 568 Y C -0.429 175.399 175.900 -0.120 0.000 1.990 568 Y CA -0.429 57.574 58.100 -0.162 0.000 1.150 568 Y CB -0.867 37.532 38.460 -0.102 0.000 1.811 568 Y HN 0.282 nan 8.280 nan 0.000 0.302 569 I N 3.624 124.218 120.570 0.041 0.000 2.362 569 I HA 0.276 4.480 4.170 0.057 0.000 0.289 569 I C 1.216 177.371 176.117 0.064 0.000 0.994 569 I CA 0.258 61.567 61.300 0.016 0.000 1.158 569 I CB 1.637 39.594 38.000 -0.072 0.000 1.315 569 I HN 0.718 nan 8.210 nan 0.000 0.451 570 G N 3.990 112.868 108.800 0.130 0.000 2.777 570 G HA2 0.445 4.439 3.960 0.057 0.000 0.211 570 G HA3 0.445 4.439 3.960 0.057 0.000 0.211 570 G C 0.565 175.587 174.900 0.203 0.000 1.149 570 G CA 0.661 45.870 45.100 0.182 0.000 0.785 570 G HN 0.843 nan 8.290 nan 0.000 0.536 571 G N -0.973 107.983 108.800 0.260 0.000 2.392 571 G HA2 0.525 4.519 3.960 0.057 0.000 0.260 571 G HA3 0.525 4.519 3.960 0.057 0.000 0.260 571 G C -1.084 173.903 174.900 0.145 0.000 1.226 571 G CA 0.465 45.702 45.100 0.228 0.000 0.913 571 G HN 1.113 nan 8.290 nan 0.000 0.483 572 S N -1.534 114.285 115.700 0.198 0.000 2.565 572 S HA 0.914 5.419 4.470 0.057 0.000 0.269 572 S C -0.814 173.877 174.600 0.152 0.000 1.153 572 S CA 0.247 58.526 58.200 0.132 0.000 0.835 572 S CB 1.562 64.871 63.200 0.182 0.000 1.122 572 S HN 2.465 nan 8.310 nan 0.000 0.462 573 A N 1.043 123.915 122.820 0.087 0.000 2.398 573 A HA 0.790 5.144 4.320 0.057 0.000 0.301 573 A C -1.301 176.398 177.584 0.190 0.000 1.041 573 A CA -0.756 51.373 52.037 0.152 0.000 0.711 573 A CB 1.713 20.775 19.000 0.103 0.000 1.240 573 A HN 1.219 nan 8.150 nan 0.000 0.420 574 V N 3.355 123.427 119.914 0.263 0.000 2.487 574 V HA 0.524 4.679 4.120 0.057 0.000 0.298 574 V C -0.121 176.155 176.094 0.304 0.000 1.028 574 V CA -0.300 62.157 62.300 0.262 0.000 0.860 574 V CB 1.620 33.625 31.823 0.303 0.000 0.991 574 V HN 0.964 nan 8.190 nan 0.000 0.427 575 M N 5.590 125.321 119.600 0.217 0.000 2.205 575 M HA 0.621 5.135 4.480 0.057 0.000 0.344 575 M C -1.882 174.457 176.300 0.064 0.000 1.085 575 M CA -0.231 55.125 55.300 0.093 0.000 1.001 575 M CB 1.014 33.477 32.600 -0.228 0.000 1.626 575 M HN 0.543 nan 8.290 nan 0.000 0.442 576 F N 2.836 122.823 119.950 0.062 0.000 2.480 576 F HA 0.367 4.928 4.527 0.057 0.000 0.329 576 F C 0.145 176.020 175.800 0.125 0.000 1.091 576 F CA -0.431 57.625 58.000 0.093 0.000 0.972 576 F CB 1.436 40.446 39.000 0.017 0.000 1.150 576 F HN 0.630 nan 8.300 nan 0.000 0.467 577 D N -0.544 120.042 120.400 0.309 0.000 2.432 577 D HA 0.184 4.859 4.640 0.057 0.000 0.258 577 D C 0.896 177.321 176.300 0.208 0.000 1.146 577 D CA -0.480 53.677 54.000 0.262 0.000 1.015 577 D CB 0.820 41.766 40.800 0.244 0.000 1.107 577 D HN 0.389 nan 8.370 nan 0.000 0.529 578 S N -0.716 115.067 115.700 0.138 0.000 2.465 578 S HA -0.261 4.243 4.470 0.057 0.000 0.241 578 S C 1.374 176.165 174.600 0.319 0.000 1.000 578 S CA 0.896 59.247 58.200 0.252 0.000 0.964 578 S CB -0.679 62.587 63.200 0.110 0.000 0.763 578 S HN 0.605 nan 8.310 nan 0.000 0.512 579 Q N 0.623 120.518 119.800 0.158 0.000 2.444 579 Q HA 0.267 4.641 4.340 0.057 0.000 0.206 579 Q C 1.185 177.157 176.000 -0.047 0.000 0.948 579 Q CA 0.244 56.034 55.803 -0.022 0.000 0.946 579 Q CB -0.032 28.590 28.738 -0.193 0.000 1.027 579 Q HN 0.800 nan 8.270 nan 0.000 0.513 580 G N 0.519 109.478 108.800 0.265 0.000 2.149 580 G HA2 -0.256 3.738 3.960 0.057 0.000 0.235 580 G HA3 -0.256 3.738 3.960 0.057 0.000 0.235 580 G C -0.636 174.552 174.900 0.480 0.000 1.018 580 G CA -0.235 45.118 45.100 0.421 0.000 0.728 580 G HN 0.209 nan 8.290 nan 0.000 0.508 581 Y N -0.669 119.843 120.300 0.352 0.000 2.387 581 Y HA 0.651 5.235 4.550 0.057 0.000 0.336 581 Y C 0.811 176.558 175.900 -0.255 0.000 1.067 581 Y CA -1.965 56.203 58.100 0.113 0.000 1.114 581 Y CB 1.294 39.736 38.460 -0.031 0.000 1.208 581 Y HN 0.244 nan 8.280 nan 0.000 0.458 582 I N 4.563 124.890 120.570 -0.406 0.000 2.416 582 I HA 0.215 4.419 4.170 0.057 0.000 0.288 582 I C 0.554 176.497 176.117 -0.289 0.000 1.051 582 I CA 0.026 60.811 61.300 -0.859 0.000 1.375 582 I CB 0.419 37.930 38.000 -0.815 0.000 1.407 582 I HN 0.718 nan 8.210 nan 0.000 0.516 583 R N 5.840 126.229 120.500 -0.184 0.000 2.225 583 R HA 0.310 4.684 4.340 0.057 0.000 0.194 583 R C -0.349 175.966 176.300 0.025 0.000 0.949 583 R CA -0.026 56.050 56.100 -0.040 0.000 1.088 583 R CB 0.335 30.644 30.300 0.014 0.000 1.106 583 R HN 0.459 nan 8.270 nan 0.000 0.566 584 K N 1.197 121.628 120.400 0.052 0.000 2.464 584 K HA 0.504 4.858 4.320 0.057 0.000 0.253 584 K C -0.842 175.862 176.600 0.174 0.000 0.933 584 K CA -0.513 55.897 56.287 0.204 0.000 0.801 584 K CB 2.840 35.572 32.500 0.386 0.000 1.271 584 K HN -0.072 nan 8.250 nan 0.000 0.430 585 I N 2.072 122.709 120.570 0.112 0.000 2.439 585 I HA 0.302 4.506 4.170 0.057 0.000 0.285 585 I C -0.312 175.699 176.117 -0.178 0.000 1.021 585 I CA -1.162 60.065 61.300 -0.123 0.000 1.091 585 I CB 1.972 39.754 38.000 -0.363 0.000 1.242 585 I HN 0.309 nan 8.210 nan 0.000 0.439 586 V N 4.280 124.038 119.914 -0.260 0.000 2.914 586 V HA 0.790 4.944 4.120 0.057 0.000 0.314 586 V C -2.945 173.087 176.094 -0.104 0.000 1.084 586 V CA -2.438 59.646 62.300 -0.360 0.000 0.963 586 V CB 1.999 33.261 31.823 -0.936 0.000 1.025 586 V HN 0.385 nan 8.190 nan 0.000 0.432 587 P HA 0.594 nan 4.420 nan 0.000 0.284 587 P C -0.800 176.376 177.300 -0.207 0.000 1.258 587 P CA -0.438 62.637 63.100 -0.041 0.000 0.824 587 P CB 0.990 32.674 31.700 -0.027 0.000 1.038 588 I N 1.556 122.008 120.570 -0.197 0.000 2.460 588 I HA 0.261 4.465 4.170 0.057 0.000 0.277 588 I C 0.636 176.650 176.117 -0.173 0.000 1.057 588 I CA -0.775 60.333 61.300 -0.319 0.000 1.179 588 I CB 0.588 38.197 38.000 -0.652 0.000 1.329 588 I HN 0.223 nan 8.210 nan 0.000 0.478 589 K N 7.499 127.807 120.400 -0.153 0.000 2.350 589 K HA 0.497 4.851 4.320 0.057 0.000 0.279 589 K C -0.490 176.067 176.600 -0.070 0.000 1.027 589 K CA -0.031 56.211 56.287 -0.074 0.000 0.969 589 K CB 0.925 33.385 32.500 -0.066 0.000 0.954 589 K HN 0.663 nan 8.250 nan 0.000 0.474 590 I N -0.653 119.898 120.570 -0.033 0.000 3.279 590 I HA 0.590 4.795 4.170 0.057 0.000 0.315 590 I C 0.094 176.102 176.117 -0.181 0.000 1.187 590 I CA -1.396 59.861 61.300 -0.072 0.000 0.953 590 I CB 1.646 39.633 38.000 -0.023 0.000 1.279 590 I HN 0.602 nan 8.210 nan 0.000 0.465 591 G N 0.669 109.335 108.800 -0.223 0.000 2.562 591 G HA2 0.295 4.289 3.960 0.057 0.000 0.275 591 G HA3 0.295 4.289 3.960 0.057 0.000 0.275 591 G C -0.700 173.797 174.900 -0.672 0.000 1.196 591 G CA -0.515 44.386 45.100 -0.332 0.000 0.908 591 G HN 0.890 nan 8.290 nan 0.000 0.524 592 E N 0.381 120.153 120.200 -0.713 0.000 2.406 592 E HA 0.007 4.392 4.350 0.057 0.000 0.258 592 E C 0.175 176.591 176.600 -0.307 0.000 1.043 592 E CA -0.054 55.882 56.400 -0.774 0.000 0.929 592 E CB 0.112 29.703 29.700 -0.181 0.000 0.969 592 E HN 0.377 nan 8.360 nan 0.000 0.462 593 Q N 4.086 123.762 119.800 -0.207 0.000 2.478 593 Q HA -0.141 4.234 4.340 0.057 0.000 0.323 593 Q C 0.863 176.855 176.000 -0.012 0.000 1.087 593 Q CA 0.165 55.938 55.803 -0.050 0.000 1.056 593 Q CB 0.620 29.387 28.738 0.047 0.000 1.018 593 Q HN 0.509 nan 8.270 nan 0.000 0.387 594 R N 2.204 122.689 120.500 -0.024 0.000 2.072 594 R HA 0.013 4.387 4.340 0.057 0.000 0.221 594 R C 0.935 177.240 176.300 0.007 0.000 1.166 594 R CA 1.229 57.324 56.100 -0.008 0.000 0.917 594 R CB -0.794 29.496 30.300 -0.016 0.000 0.815 594 R HN 0.713 nan 8.270 nan 0.000 0.444 595 G N 0.858 109.660 108.800 0.004 0.000 2.528 595 G HA2 0.092 4.086 3.960 0.057 0.000 0.289 595 G HA3 0.092 4.086 3.960 0.057 0.000 0.289 595 G C -0.398 174.512 174.900 0.017 0.000 1.192 595 G CA -0.441 44.666 45.100 0.011 0.000 0.921 595 G HN 0.135 nan 8.290 nan 0.000 0.512 596 E N 0.335 120.548 120.200 0.022 0.000 2.443 596 E HA 0.214 4.598 4.350 0.057 0.000 0.310 596 E C 0.038 176.649 176.600 0.019 0.000 1.202 596 E CA 0.401 56.817 56.400 0.025 0.000 1.301 596 E CB -0.097 29.620 29.700 0.029 0.000 1.104 596 E HN 0.331 nan 8.360 nan 0.000 0.487 597 S N -0.160 115.548 115.700 0.013 0.000 2.697 597 S HA 0.091 4.595 4.470 0.057 0.000 0.313 597 S C -0.787 173.807 174.600 -0.010 0.000 0.954 597 S CA -0.759 57.441 58.200 0.001 0.000 0.831 597 S CB 0.606 63.807 63.200 0.002 0.000 1.030 597 S HN -0.008 nan 8.310 nan 0.000 0.466 598 V N 4.141 124.038 119.914 -0.029 0.000 2.715 598 V HA 0.236 4.391 4.120 0.057 0.000 0.299 598 V C 0.771 176.841 176.094 -0.041 0.000 1.054 598 V CA -0.187 62.086 62.300 -0.045 0.000 1.077 598 V CB 1.124 32.885 31.823 -0.104 0.000 0.972 598 V HN 0.877 nan 8.190 nan 0.000 0.484 599 D N 5.140 125.526 120.400 -0.024 0.000 2.435 599 D HA 0.062 4.736 4.640 0.057 0.000 0.230 599 D C 1.045 177.361 176.300 0.026 0.000 1.215 599 D CA -0.429 53.561 54.000 -0.015 0.000 0.947 599 D CB 0.893 41.676 40.800 -0.029 0.000 1.048 599 D HN 0.362 nan 8.370 nan 0.000 0.512 600 M N 2.522 122.144 119.600 0.037 0.000 2.202 600 M HA -0.168 4.347 4.480 0.057 0.000 0.262 600 M C 1.581 178.045 176.300 0.273 0.000 1.063 600 M CA 0.884 56.258 55.300 0.123 0.000 1.097 600 M CB -0.991 31.725 32.600 0.193 0.000 1.382 600 M HN 0.443 nan 8.290 nan 0.000 0.413 601 N N 0.114 118.894 118.700 0.133 0.000 2.069 601 N HA -0.217 4.557 4.740 0.057 0.000 0.191 601 N C 1.758 177.386 175.510 0.197 0.000 1.031 601 N CA 1.444 54.523 53.050 0.049 0.000 0.852 601 N CB -0.243 37.864 38.487 -0.633 0.000 1.018 601 N HN 0.553 nan 8.380 nan 0.000 0.423 602 E N 0.450 120.701 120.200 0.085 0.000 2.047 602 E HA -0.173 4.211 4.350 0.057 0.000 0.191 602 E C 1.888 178.556 176.600 0.113 0.000 0.987 602 E CA 0.614 57.079 56.400 0.108 0.000 0.799 602 E CB -0.117 29.605 29.700 0.036 0.000 0.752 602 E HN 0.200 nan 8.360 nan 0.000 0.449 603 F N 0.570 120.485 119.950 -0.057 0.000 2.043 603 F HA -0.256 4.305 4.527 0.057 0.000 0.297 603 F C 1.893 177.590 175.800 -0.171 0.000 1.121 603 F CA 1.800 59.685 58.000 -0.191 0.000 1.199 603 F CB -0.506 38.270 39.000 -0.373 0.000 0.968 603 F HN 0.029 nan 8.300 nan 0.000 0.478 604 F N 0.685 120.756 119.950 0.202 0.000 2.365 604 F HA -0.078 4.483 4.527 0.057 0.000 0.300 604 F C 2.409 178.239 175.800 0.051 0.000 1.090 604 F CA 1.379 59.443 58.000 0.107 0.000 1.408 604 F CB -0.838 38.310 39.000 0.247 0.000 1.060 604 F HN -0.008 nan 8.300 nan 0.000 0.534 605 K N 0.491 121.070 120.400 0.299 0.000 2.062 605 K HA -0.201 4.153 4.320 0.057 0.000 0.205 605 K C 2.113 178.740 176.600 0.044 0.000 1.051 605 K CA 1.386 57.833 56.287 0.268 0.000 0.941 605 K CB -0.104 32.641 32.500 0.409 0.000 0.719 605 K HN 0.059 nan 8.250 nan 0.000 0.440 606 E N 1.168 121.337 120.200 -0.052 0.000 2.204 606 E HA -0.199 4.185 4.350 0.057 0.000 0.195 606 E C 1.846 178.269 176.600 -0.296 0.000 0.990 606 E CA 1.244 57.540 56.400 -0.173 0.000 0.821 606 E CB -0.168 29.394 29.700 -0.231 0.000 0.750 606 E HN 0.373 nan 8.360 nan 0.000 0.477 607 M N -0.708 118.701 119.600 -0.318 0.000 2.077 607 M HA -0.140 4.375 4.480 0.057 0.000 0.261 607 M C 1.875 178.048 176.300 -0.211 0.000 1.070 607 M CA 1.495 56.588 55.300 -0.346 0.000 1.125 607 M CB -0.090 32.424 32.600 -0.143 0.000 1.339 607 M HN 0.111 nan 8.290 nan 0.000 0.409 608 V N 1.366 121.188 119.914 -0.152 0.000 2.287 608 V HA -0.311 3.843 4.120 0.057 0.000 0.248 608 V C 1.891 177.849 176.094 -0.227 0.000 1.053 608 V CA 2.229 64.369 62.300 -0.268 0.000 1.027 608 V CB -0.964 30.354 31.823 -0.841 0.000 0.646 608 V HN 0.517 nan 8.190 nan 0.000 0.447 609 D N -0.315 119.969 120.400 -0.194 0.000 2.117 609 D HA -0.170 4.504 4.640 0.057 0.000 0.198 609 D C 2.176 178.388 176.300 -0.145 0.000 0.982 609 D CA 1.205 55.138 54.000 -0.112 0.000 0.828 609 D CB -0.197 40.574 40.800 -0.048 0.000 0.967 609 D HN 0.269 nan 8.370 nan 0.000 0.464 610 K N 0.158 120.391 120.400 -0.278 0.000 2.097 610 K HA -0.096 4.258 4.320 0.057 0.000 0.206 610 K C 1.831 178.152 176.600 -0.464 0.000 1.049 610 K CA 0.703 56.733 56.287 -0.430 0.000 0.933 610 K CB -0.467 31.643 32.500 -0.650 0.000 0.717 610 K HN -0.004 nan 8.250 nan 0.000 0.442 611 F N 0.910 120.683 119.950 -0.294 0.000 2.234 611 F HA -0.035 4.526 4.527 0.057 0.000 0.299 611 F C 2.134 177.875 175.800 -0.098 0.000 1.087 611 F CA 1.192 59.053 58.000 -0.233 0.000 1.340 611 F CB -0.361 38.493 39.000 -0.243 0.000 1.031 611 F HN 0.055 nan 8.300 nan 0.000 0.500 612 K N 0.521 120.969 120.400 0.080 0.000 2.057 612 K HA -0.204 4.150 4.320 0.057 0.000 0.206 612 K C 2.100 178.767 176.600 0.111 0.000 1.050 612 K CA 1.532 57.861 56.287 0.070 0.000 0.935 612 K CB -0.233 32.285 32.500 0.031 0.000 0.715 612 K HN 0.203 nan 8.250 nan 0.000 0.439 613 E N -0.519 119.748 120.200 0.111 0.000 2.160 613 E HA -0.175 4.209 4.350 0.057 0.000 0.195 613 E C 0.993 177.817 176.600 0.374 0.000 0.991 613 E CA 1.131 57.649 56.400 0.195 0.000 0.810 613 E CB -0.044 29.766 29.700 0.183 0.000 0.742 613 E HN 0.418 nan 8.360 nan 0.000 0.466 614 F N 0.039 119.993 119.950 0.007 0.000 2.732 614 F HA 0.149 4.711 4.527 0.057 0.000 0.303 614 F C 0.360 176.178 175.800 0.030 0.000 1.110 614 F CA -0.578 57.436 58.000 0.023 0.000 1.355 614 F CB 0.481 39.511 39.000 0.051 0.000 1.081 614 F HN -0.065 nan 8.300 nan 0.000 0.565 615 N N 1.413 120.225 118.700 0.187 0.000 2.924 615 N HA -0.135 4.640 4.740 0.057 0.000 0.246 615 N C -1.214 174.338 175.510 0.069 0.000 1.120 615 N CA 0.392 53.502 53.050 0.100 0.000 0.691 615 N CB -1.309 37.217 38.487 0.066 0.000 1.036 615 N HN 0.077 nan 8.380 nan 0.000 0.557 616 I N 0.714 121.318 120.570 0.056 0.000 2.599 616 I HA 0.163 4.367 4.170 0.057 0.000 0.285 616 I C 0.062 176.143 176.117 -0.059 0.000 1.168 616 I CA -0.325 60.938 61.300 -0.061 0.000 1.060 616 I CB 1.753 39.593 38.000 -0.267 0.000 1.249 616 I HN -0.108 nan 8.210 nan 0.000 0.442 617 K N 5.732 126.118 120.400 -0.023 0.000 2.201 617 K HA 0.529 4.883 4.320 0.057 0.000 0.278 617 K C 0.756 177.349 176.600 -0.011 0.000 1.027 617 K CA -0.477 55.806 56.287 -0.006 0.000 0.909 617 K CB 2.318 34.843 32.500 0.042 0.000 1.062 617 K HN 0.496 nan 8.250 nan 0.000 0.465 618 L N 1.478 122.668 121.223 -0.055 0.000 2.463 618 L HA 0.002 4.376 4.340 0.057 0.000 0.219 618 L C 0.225 177.125 176.870 0.050 0.000 1.088 618 L CA -0.010 54.823 54.840 -0.013 0.000 0.849 618 L CB -0.058 41.945 42.059 -0.094 0.000 1.012 618 L HN 0.677 nan 8.230 nan 0.000 0.468 619 D N 2.116 122.553 120.400 0.061 0.000 2.515 619 D HA -0.138 4.537 4.640 0.057 0.000 0.232 619 D C 0.415 176.779 176.300 0.106 0.000 1.157 619 D CA 0.575 54.660 54.000 0.142 0.000 0.871 619 D CB -0.134 40.788 40.800 0.203 0.000 1.200 619 D HN 0.343 nan 8.370 nan 0.000 0.466 620 N N -0.973 117.785 118.700 0.098 0.000 2.714 620 N HA -0.249 4.525 4.740 0.057 0.000 0.252 620 N C -0.962 174.586 175.510 0.064 0.000 1.014 620 N CA 1.001 54.092 53.050 0.069 0.000 0.735 620 N CB -0.754 37.767 38.487 0.056 0.000 0.924 620 N HN 0.369 nan 8.380 nan 0.000 0.540 621 K N -0.271 120.174 120.400 0.075 0.000 2.482 621 K HA 0.452 4.806 4.320 0.057 0.000 0.257 621 K C -0.580 176.065 176.600 0.075 0.000 0.969 621 K CA -0.743 55.589 56.287 0.075 0.000 0.842 621 K CB 2.097 34.676 32.500 0.131 0.000 1.359 621 K HN 0.275 nan 8.250 nan 0.000 0.441 622 K N 2.791 123.232 120.400 0.069 0.000 2.235 622 K HA 0.510 4.864 4.320 0.057 0.000 0.266 622 K C -0.433 176.267 176.600 0.167 0.000 0.980 622 K CA -0.523 55.831 56.287 0.110 0.000 0.849 622 K CB 0.701 33.256 32.500 0.092 0.000 1.098 622 K HN 0.662 nan 8.250 nan 0.000 0.445 623 I N 1.110 121.773 120.570 0.155 0.000 2.865 623 I HA 0.462 4.666 4.170 0.057 0.000 0.302 623 I C -1.679 174.370 176.117 -0.113 0.000 1.140 623 I CA -1.400 59.945 61.300 0.076 0.000 1.021 623 I CB 1.864 39.898 38.000 0.056 0.000 1.233 623 I HN 0.431 nan 8.210 nan 0.000 0.427 624 L N 5.369 126.349 121.223 -0.405 0.000 2.301 624 L HA 0.551 4.925 4.340 0.057 0.000 0.278 624 L C -1.197 175.505 176.870 -0.280 0.000 1.022 624 L CA -0.346 54.133 54.840 -0.602 0.000 0.854 624 L CB 1.119 42.463 42.059 -1.191 0.000 1.226 624 L HN 0.727 nan 8.230 nan 0.000 0.429 625 L N 6.032 127.158 121.223 -0.161 0.000 2.275 625 L HA 0.641 5.015 4.340 0.057 0.000 0.288 625 L C -1.395 175.445 176.870 -0.050 0.000 1.046 625 L CA -0.314 54.487 54.840 -0.064 0.000 0.805 625 L CB 0.779 42.811 42.059 -0.045 0.000 1.193 625 L HN 0.627 nan 8.230 nan 0.000 0.426 626 L N 4.787 126.006 121.223 -0.007 0.000 2.388 626 L HA 0.688 5.062 4.340 0.057 0.000 0.264 626 L C -0.631 176.277 176.870 0.063 0.000 0.998 626 L CA -0.946 53.893 54.840 -0.002 0.000 0.817 626 L CB 2.168 44.201 42.059 -0.045 0.000 1.338 626 L HN 0.666 nan 8.230 nan 0.000 0.414 627 R N -0.985 119.550 120.500 0.059 0.000 2.905 627 R HA 0.453 4.827 4.340 0.057 0.000 0.260 627 R C -0.969 175.364 176.300 0.054 0.000 1.086 627 R CA -0.827 55.325 56.100 0.088 0.000 0.978 627 R CB 0.775 31.143 30.300 0.114 0.000 1.215 627 R HN 0.402 nan 8.270 nan 0.000 0.480 628 D N 0.158 120.597 120.400 0.064 0.000 2.508 628 D HA 0.401 5.075 4.640 0.057 0.000 0.224 628 D C -0.086 176.228 176.300 0.024 0.000 1.171 628 D CA 1.468 55.491 54.000 0.038 0.000 1.006 628 D CB -0.033 40.803 40.800 0.061 0.000 1.073 628 D HN 0.825 nan 8.370 nan 0.000 0.513 629 G N 2.537 111.345 108.800 0.013 0.000 2.331 629 G HA2 -0.111 3.883 3.960 0.057 0.000 0.479 629 G HA3 -0.111 3.883 3.960 0.057 0.000 0.479 629 G C -0.647 174.257 174.900 0.007 0.000 1.262 629 G CA -0.961 44.145 45.100 0.010 0.000 1.029 629 G HN 0.509 nan 8.290 nan 0.000 0.487 630 R N -0.278 120.226 120.500 0.007 0.000 2.643 630 R HA 0.381 4.755 4.340 0.057 0.000 0.270 630 R C 0.204 176.513 176.300 0.014 0.000 1.061 630 R CA -0.425 55.677 56.100 0.003 0.000 1.107 630 R CB 0.102 30.405 30.300 0.005 0.000 0.999 630 R HN 0.380 nan 8.270 nan 0.000 0.460 631 I N 4.684 125.262 120.570 0.013 0.000 2.301 631 I HA 0.040 4.244 4.170 0.057 0.000 0.292 631 I C 0.744 176.878 176.117 0.030 0.000 1.046 631 I CA -0.028 61.290 61.300 0.030 0.000 1.282 631 I CB 0.912 38.925 38.000 0.021 0.000 1.409 631 I HN 0.724 nan 8.210 nan 0.000 0.484 632 T N 2.773 117.351 114.554 0.039 0.000 2.899 632 T HA 0.164 4.548 4.350 0.057 0.000 0.295 632 T C 1.329 176.056 174.700 0.044 0.000 1.033 632 T CA -0.657 61.464 62.100 0.035 0.000 1.084 632 T CB 1.043 69.928 68.868 0.030 0.000 0.979 632 T HN 0.433 nan 8.240 nan 0.000 0.532 633 N N 2.262 120.985 118.700 0.037 0.000 2.060 633 N HA -0.168 4.606 4.740 0.057 0.000 0.195 633 N C 1.586 177.127 175.510 0.052 0.000 1.028 633 N CA 1.465 54.539 53.050 0.039 0.000 0.861 633 N CB -0.766 37.742 38.487 0.035 0.000 1.029 633 N HN 0.608 nan 8.380 nan 0.000 0.428 634 N N 1.198 119.929 118.700 0.052 0.000 2.149 634 N HA -0.111 4.663 4.740 0.057 0.000 0.188 634 N C 1.474 177.052 175.510 0.114 0.000 1.019 634 N CA 0.874 53.961 53.050 0.062 0.000 0.857 634 N CB -0.215 38.295 38.487 0.039 0.000 0.997 634 N HN 0.502 nan 8.380 nan 0.000 0.426 635 E N 0.212 120.493 120.200 0.135 0.000 2.150 635 E HA -0.166 4.218 4.350 0.057 0.000 0.193 635 E C 1.653 178.364 176.600 0.184 0.000 0.985 635 E CA 0.554 57.117 56.400 0.272 0.000 0.814 635 E CB 0.004 29.858 29.700 0.257 0.000 0.752 635 E HN 0.517 nan 8.360 nan 0.000 0.466 636 E N 1.535 121.791 120.200 0.092 0.000 2.031 636 E HA -0.232 4.152 4.350 0.057 0.000 0.193 636 E C 1.843 178.479 176.600 0.060 0.000 0.994 636 E CA 1.104 57.529 56.400 0.041 0.000 0.800 636 E CB 0.109 29.829 29.700 0.033 0.000 0.752 636 E HN 0.211 nan 8.360 nan 0.000 0.447 637 E N -0.381 119.870 120.200 0.084 0.000 2.086 637 E HA -0.215 4.169 4.350 0.057 0.000 0.200 637 E C 2.063 178.759 176.600 0.161 0.000 1.012 637 E CA 1.053 57.512 56.400 0.099 0.000 0.812 637 E CB -0.376 29.368 29.700 0.075 0.000 0.743 637 E HN 0.471 nan 8.360 nan 0.000 0.453 638 G N 0.867 109.798 108.800 0.217 0.000 2.450 638 G HA2 -0.237 3.758 3.960 0.057 0.000 0.220 638 G HA3 -0.237 3.758 3.960 0.057 0.000 0.220 638 G C 1.527 176.592 174.900 0.275 0.000 1.130 638 G CA 0.539 45.869 45.100 0.385 0.000 0.760 638 G HN 0.107 nan 8.290 nan 0.000 0.557 639 L N -0.490 120.734 121.223 0.003 0.000 2.179 639 L HA 0.075 4.449 4.340 0.057 0.000 0.208 639 L C 2.903 179.775 176.870 0.005 0.000 1.096 639 L CA 0.741 55.481 54.840 -0.168 0.000 0.779 639 L CB -0.185 41.704 42.059 -0.283 0.000 0.922 639 L HN 0.152 nan 8.230 nan 0.000 0.443 640 K N -0.668 119.773 120.400 0.069 0.000 2.057 640 K HA -0.206 4.148 4.320 0.057 0.000 0.206 640 K C 2.130 178.814 176.600 0.139 0.000 1.050 640 K CA 1.397 57.734 56.287 0.084 0.000 0.935 640 K CB -0.309 32.242 32.500 0.085 0.000 0.715 640 K HN 0.106 nan 8.250 nan 0.000 0.439 641 Y N 1.991 122.328 120.300 0.062 0.000 2.081 641 Y HA -0.255 4.329 4.550 0.057 0.000 0.280 641 Y C 2.021 177.991 175.900 0.115 0.000 1.163 641 Y CA 1.438 59.588 58.100 0.084 0.000 1.135 641 Y CB -0.399 38.132 38.460 0.118 0.000 0.970 641 Y HN -0.002 nan 8.280 nan 0.000 0.498 642 I N -0.876 119.788 120.570 0.156 0.000 2.493 642 I HA -0.260 3.944 4.170 0.057 0.000 0.254 642 I C 2.565 178.781 176.117 0.165 0.000 1.160 642 I CA 1.614 63.022 61.300 0.181 0.000 1.445 642 I CB -0.420 37.728 38.000 0.248 0.000 1.086 642 I HN 0.393 nan 8.210 nan 0.000 0.433 643 S N 0.719 116.466 115.700 0.079 0.000 2.348 643 S HA -0.284 4.220 4.470 0.057 0.000 0.221 643 S C 1.965 176.585 174.600 0.034 0.000 1.033 643 S CA 2.060 60.295 58.200 0.058 0.000 1.010 643 S CB -0.265 62.955 63.200 0.033 0.000 0.891 643 S HN 0.614 nan 8.310 nan 0.000 0.442 644 E N 1.175 121.367 120.200 -0.013 0.000 2.015 644 E HA -0.117 4.267 4.350 0.057 0.000 0.191 644 E C 2.202 178.719 176.600 -0.137 0.000 0.991 644 E CA 1.682 58.049 56.400 -0.054 0.000 0.802 644 E CB -0.615 29.056 29.700 -0.048 0.000 0.759 644 E HN 0.623 nan 8.360 nan 0.000 0.447 645 M N -0.995 118.436 119.600 -0.282 0.000 2.260 645 M HA -0.146 4.368 4.480 0.057 0.000 0.261 645 M C 0.374 176.262 176.300 -0.688 0.000 1.066 645 M CA 1.580 56.544 55.300 -0.561 0.000 1.082 645 M CB 0.018 32.078 32.600 -0.899 0.000 1.388 645 M HN 0.178 nan 8.290 nan 0.000 0.419 646 F N -0.173 119.725 119.950 -0.087 0.000 2.729 646 F HA 0.235 4.797 4.527 0.057 0.000 0.315 646 F C 0.057 175.844 175.800 -0.021 0.000 1.102 646 F CA -0.748 57.227 58.000 -0.043 0.000 1.204 646 F CB 0.355 39.338 39.000 -0.029 0.000 1.052 646 F HN 0.073 nan 8.300 nan 0.000 0.551 647 D N 2.161 122.618 120.400 0.096 0.000 2.697 647 D HA -0.202 4.472 4.640 0.057 0.000 0.238 647 D C -0.115 176.240 176.300 0.091 0.000 1.152 647 D CA 0.712 54.753 54.000 0.067 0.000 0.666 647 D CB -0.902 39.927 40.800 0.048 0.000 1.037 647 D HN 0.279 nan 8.370 nan 0.000 0.423 648 I N 0.744 121.377 120.570 0.104 0.000 2.359 648 I HA 0.133 4.337 4.170 0.057 0.000 0.294 648 I C 0.909 177.061 176.117 0.059 0.000 0.987 648 I CA -0.542 60.810 61.300 0.087 0.000 1.225 648 I CB 1.731 39.785 38.000 0.089 0.000 1.366 648 I HN -0.087 nan 8.210 nan 0.000 0.466 649 E N 6.405 126.639 120.200 0.057 0.000 2.044 649 E HA 0.309 4.693 4.350 0.057 0.000 0.282 649 E C -1.373 175.259 176.600 0.053 0.000 1.031 649 E CA -0.485 55.946 56.400 0.051 0.000 0.824 649 E CB 0.990 30.723 29.700 0.055 0.000 1.076 649 E HN 0.341 nan 8.360 nan 0.000 0.395 650 V N 5.645 125.576 119.914 0.028 0.000 2.350 650 V HA 0.207 4.362 4.120 0.057 0.000 0.276 650 V C -0.072 176.025 176.094 0.005 0.000 1.028 650 V CA -0.769 61.532 62.300 0.002 0.000 0.860 650 V CB 1.407 33.202 31.823 -0.047 0.000 0.990 650 V HN 0.448 nan 8.190 nan 0.000 0.453 651 V N 4.635 124.556 119.914 0.010 0.000 2.370 651 V HA 0.638 4.792 4.120 0.057 0.000 0.279 651 V C 0.265 176.322 176.094 -0.062 0.000 1.029 651 V CA 0.076 62.386 62.300 0.017 0.000 0.870 651 V CB 1.573 33.476 31.823 0.134 0.000 0.984 651 V HN 0.963 nan 8.190 nan 0.000 0.451 652 T N 5.947 120.473 114.554 -0.046 0.000 2.841 652 T HA 0.879 5.263 4.350 0.057 0.000 0.296 652 T C -0.944 173.729 174.700 -0.045 0.000 1.166 652 T CA -0.536 61.528 62.100 -0.060 0.000 1.007 652 T CB 1.695 70.527 68.868 -0.060 0.000 1.253 652 T HN 0.836 nan 8.240 nan 0.000 0.511 653 M N 0.616 120.187 119.600 -0.048 0.000 2.895 653 M HA 0.568 5.082 4.480 0.057 0.000 0.271 653 M C -1.985 174.287 176.300 -0.047 0.000 1.174 653 M CA -1.032 54.239 55.300 -0.048 0.000 0.816 653 M CB 1.277 33.842 32.600 -0.059 0.000 1.647 653 M HN 0.287 nan 8.290 nan 0.000 0.506 654 D N 1.687 122.054 120.400 -0.055 0.000 2.350 654 D HA 0.470 5.145 4.640 0.057 0.000 0.249 654 D C -0.736 175.520 176.300 -0.073 0.000 1.119 654 D CA -0.047 53.921 54.000 -0.052 0.000 0.886 654 D CB 2.112 42.878 40.800 -0.057 0.000 1.195 654 D HN 0.427 nan 8.370 nan 0.000 0.437 655 V N 4.072 123.953 119.914 -0.055 0.000 2.327 655 V HA 0.257 4.411 4.120 0.057 0.000 0.272 655 V C 0.171 176.240 176.094 -0.042 0.000 1.019 655 V CA -0.554 61.708 62.300 -0.065 0.000 0.814 655 V CB 0.448 32.240 31.823 -0.051 0.000 1.040 655 V HN 0.365 nan 8.190 nan 0.000 0.440 656 I N 4.805 125.345 120.570 -0.051 0.000 2.331 656 I HA 0.354 4.558 4.170 0.057 0.000 0.292 656 I C 1.089 177.257 176.117 0.086 0.000 0.998 656 I CA -0.255 61.051 61.300 0.010 0.000 1.267 656 I CB 1.565 39.571 38.000 0.009 0.000 1.386 656 I HN 0.628 nan 8.210 nan 0.000 0.476 657 K N 3.128 123.581 120.400 0.090 0.000 2.360 657 K HA 0.247 4.601 4.320 0.057 0.000 0.196 657 K C -0.040 176.597 176.600 0.062 0.000 1.049 657 K CA -0.013 56.333 56.287 0.098 0.000 1.049 657 K CB 0.437 32.948 32.500 0.018 0.000 0.881 657 K HN 0.369 nan 8.250 nan 0.000 0.542 658 N N 2.263 121.002 118.700 0.065 0.000 2.800 658 N HA 0.159 4.933 4.740 0.057 0.000 0.240 658 N C -1.541 173.987 175.510 0.030 0.000 1.096 658 N CA -0.394 52.650 53.050 -0.011 0.000 0.877 658 N CB 0.992 39.486 38.487 0.012 0.000 1.138 658 N HN 0.471 nan 8.380 nan 0.000 0.509 659 H N -1.214 117.864 119.070 0.013 0.000 2.946 659 H HA 0.560 5.150 4.556 0.057 0.000 0.365 659 H C -2.412 172.877 175.328 -0.064 0.000 1.197 659 H CA -1.356 54.705 56.048 0.021 0.000 1.131 659 H CB 1.548 31.361 29.762 0.085 0.000 1.849 659 H HN -0.022 nan 8.280 nan 0.000 0.555 660 P HA 0.102 nan 4.420 nan 0.000 0.264 660 P C -0.325 176.784 177.300 -0.318 0.000 1.259 660 P CA -0.038 62.863 63.100 -0.332 0.000 0.841 660 P CB 0.632 32.318 31.700 -0.023 0.000 1.232 661 V N 2.986 122.913 119.914 0.021 0.000 2.540 661 V HA 0.063 4.217 4.120 0.057 0.000 0.297 661 V C 0.698 176.707 176.094 -0.142 0.000 1.024 661 V CA 0.604 62.846 62.300 -0.096 0.000 1.105 661 V CB -0.232 31.397 31.823 -0.324 0.000 0.938 661 V HN 0.125 nan 8.190 nan 0.000 0.482 662 R N 3.476 123.820 120.500 -0.260 0.000 2.621 662 R HA 0.710 5.084 4.340 0.057 0.000 0.284 662 R C -0.604 175.350 176.300 -0.575 0.000 0.998 662 R CA -0.627 55.288 56.100 -0.307 0.000 0.895 662 R CB 2.048 32.208 30.300 -0.233 0.000 1.195 662 R HN 0.703 nan 8.270 nan 0.000 0.450 663 A N 3.331 125.925 122.820 -0.377 0.000 2.258 663 A HA 0.545 4.899 4.320 0.057 0.000 0.316 663 A C -0.626 176.772 177.584 -0.311 0.000 1.279 663 A CA -0.531 51.267 52.037 -0.399 0.000 0.876 663 A CB 0.023 18.961 19.000 -0.102 0.000 1.170 663 A HN 0.515 nan 8.150 nan 0.000 0.520 664 F N 2.148 122.073 119.950 -0.041 0.000 2.651 664 F HA 0.466 5.027 4.527 0.057 0.000 0.369 664 F C 0.993 176.779 175.800 -0.024 0.000 1.187 664 F CA 0.055 58.041 58.000 -0.024 0.000 1.335 664 F CB -0.552 38.428 39.000 -0.034 0.000 1.707 664 F HN 0.633 nan 8.300 nan 0.000 0.637 665 A N 1.256 124.150 122.820 0.123 0.000 2.547 665 A HA 0.557 4.911 4.320 0.057 0.000 0.297 665 A C -0.747 176.883 177.584 0.077 0.000 1.056 665 A CA -0.889 51.193 52.037 0.076 0.000 0.688 665 A CB 1.129 20.146 19.000 0.029 0.000 1.282 665 A HN 0.144 nan 8.150 nan 0.000 0.400 666 N N 1.983 120.723 118.700 0.068 0.000 3.194 666 N HA 0.545 5.319 4.740 0.057 0.000 0.271 666 N C -0.629 174.919 175.510 0.064 0.000 1.308 666 N CA -0.107 52.986 53.050 0.072 0.000 1.042 666 N CB -0.429 38.097 38.487 0.065 0.000 1.310 666 N HN 0.715 nan 8.380 nan 0.000 0.502 667 M N -0.998 118.642 119.600 0.067 0.000 2.520 667 M HA 0.489 5.004 4.480 0.057 0.000 0.280 667 M C -1.167 175.175 176.300 0.069 0.000 1.232 667 M CA -0.995 54.341 55.300 0.061 0.000 0.892 667 M CB 1.879 34.500 32.600 0.035 0.000 1.728 667 M HN -0.195 nan 8.290 nan 0.000 0.475 668 K N 3.263 123.706 120.400 0.072 0.000 2.416 668 K HA 0.516 4.871 4.320 0.057 0.000 0.283 668 K C -0.466 176.149 176.600 0.025 0.000 1.037 668 K CA 0.407 56.734 56.287 0.068 0.000 0.995 668 K CB 0.306 32.855 32.500 0.080 0.000 0.938 668 K HN 0.832 nan 8.250 nan 0.000 0.475 669 M N 0.945 120.572 119.600 0.045 0.000 3.472 669 M HA 0.515 5.030 4.480 0.057 0.000 0.293 669 M C -1.815 174.570 176.300 0.140 0.000 1.316 669 M CA -1.247 54.081 55.300 0.046 0.000 0.857 669 M CB 1.685 34.317 32.600 0.052 0.000 1.708 669 M HN 0.512 nan 8.290 nan 0.000 0.505 670 Y N -0.518 119.790 120.300 0.014 0.000 2.583 670 Y HA 0.774 5.358 4.550 0.057 0.000 0.330 670 Y C -2.379 173.550 175.900 0.048 0.000 1.185 670 Y CA -1.637 56.413 58.100 -0.083 0.000 1.107 670 Y CB 0.762 39.142 38.460 -0.134 0.000 1.344 670 Y HN 0.985 nan 8.280 nan 0.000 0.463 671 F N 0.384 120.393 119.950 0.099 0.000 2.711 671 F HA 0.590 5.151 4.527 0.057 0.000 0.313 671 F C -1.601 174.278 175.800 0.132 0.000 1.141 671 F CA -1.298 56.702 58.000 -0.001 0.000 0.941 671 F CB 1.662 40.607 39.000 -0.093 0.000 1.349 671 F HN 0.704 nan 8.300 nan 0.000 0.464 672 N N 1.463 120.356 118.700 0.321 0.000 2.421 672 N HA 0.582 5.356 4.740 0.057 0.000 0.285 672 N C -2.071 173.641 175.510 0.336 0.000 1.027 672 N CA -0.227 52.975 53.050 0.253 0.000 0.918 672 N CB 1.798 40.403 38.487 0.196 0.000 1.152 672 N HN 0.847 nan 8.380 nan 0.000 0.485 673 L N 2.632 124.061 121.223 0.343 0.000 2.580 673 L HA 0.429 4.803 4.340 0.057 0.000 0.266 673 L C 0.522 177.591 176.870 0.331 0.000 0.955 673 L CA 0.259 55.265 54.840 0.276 0.000 0.886 673 L CB 1.073 43.302 42.059 0.283 0.000 1.263 673 L HN 0.751 nan 8.230 nan 0.000 0.406 674 G N 3.077 112.126 108.800 0.414 0.000 2.198 674 G HA2 0.062 4.056 3.960 0.057 0.000 0.260 674 G HA3 0.062 4.056 3.960 0.057 0.000 0.260 674 G C 1.129 176.114 174.900 0.142 0.000 1.025 674 G CA 0.799 46.058 45.100 0.264 0.000 0.769 674 G HN 2.320 nan 8.290 nan 0.000 0.507 675 G N -2.571 106.305 108.800 0.125 0.000 2.141 675 G HA2 0.281 4.275 3.960 0.057 0.000 0.242 675 G HA3 0.281 4.275 3.960 0.057 0.000 0.242 675 G C 0.571 175.468 174.900 -0.005 0.000 0.982 675 G CA 1.129 46.254 45.100 0.042 0.000 0.662 675 G HN 2.356 nan 8.290 nan 0.000 0.527 676 A N -0.523 122.286 122.820 -0.019 0.000 2.435 676 A HA 0.907 5.261 4.320 0.057 0.000 0.296 676 A C -0.579 176.865 177.584 -0.232 0.000 1.147 676 A CA -0.801 51.128 52.037 -0.180 0.000 0.775 676 A CB 1.371 20.182 19.000 -0.315 0.000 1.340 676 A HN 0.602 nan 8.150 nan 0.000 0.427 677 I N 0.537 120.872 120.570 -0.392 0.000 2.436 677 I HA 0.334 4.538 4.170 0.057 0.000 0.289 677 I C -1.440 174.304 176.117 -0.623 0.000 1.010 677 I CA -0.351 60.745 61.300 -0.340 0.000 1.098 677 I CB 0.918 38.803 38.000 -0.192 0.000 1.266 677 I HN 0.595 nan 8.210 nan 0.000 0.434 678 Y N 6.098 126.069 120.300 -0.549 0.000 2.341 678 Y HA 0.586 5.170 4.550 0.057 0.000 0.337 678 Y C -0.058 175.514 175.900 -0.546 0.000 1.014 678 Y CA -0.808 56.877 58.100 -0.690 0.000 1.111 678 Y CB 1.926 39.714 38.460 -1.120 0.000 1.194 678 Y HN 0.443 nan 8.280 nan 0.000 0.462 679 L N 4.559 125.673 121.223 -0.182 0.000 2.410 679 L HA 0.692 5.067 4.340 0.057 0.000 0.270 679 L C -1.758 175.099 176.870 -0.022 0.000 0.983 679 L CA -0.721 54.077 54.840 -0.071 0.000 0.822 679 L CB 1.402 43.415 42.059 -0.077 0.000 1.285 679 L HN 0.510 nan 8.230 nan 0.000 0.409 680 I N 7.293 127.877 120.570 0.023 0.000 2.371 680 I HA 0.434 4.638 4.170 0.057 0.000 0.282 680 I C -1.709 174.419 176.117 0.017 0.000 1.031 680 I CA -1.624 59.685 61.300 0.015 0.000 1.180 680 I CB 1.550 39.587 38.000 0.062 0.000 1.336 680 I HN 0.545 nan 8.210 nan 0.000 0.467 681 P HA -0.110 nan 4.420 nan 0.000 0.221 681 P C -0.898 176.404 177.300 0.004 0.000 1.145 681 P CA 1.381 64.449 63.100 -0.053 0.000 0.795 681 P CB -0.026 31.423 31.700 -0.417 0.000 0.775 682 H N -4.487 114.676 119.070 0.155 0.000 2.935 682 H HA 0.431 5.022 4.556 0.058 0.000 0.297 682 H C -0.878 174.499 175.328 0.082 0.000 1.423 682 H CA -1.797 54.322 56.048 0.118 0.000 1.161 682 H CB 0.216 30.014 29.762 0.060 0.000 1.841 682 H HN -0.201 nan 8.280 nan 0.000 0.506 683 K N 1.334 121.893 120.400 0.265 0.000 2.110 683 K HA 0.565 4.919 4.320 0.057 0.000 0.263 683 K C -0.618 176.052 176.600 0.116 0.000 0.975 683 K CA -0.936 55.451 56.287 0.166 0.000 0.895 683 K CB 1.670 34.231 32.500 0.101 0.000 1.060 683 K HN 0.471 nan 8.250 nan 0.000 0.448 684 L N 3.398 124.677 121.223 0.093 0.000 2.500 684 L HA 0.075 4.449 4.340 0.057 0.000 0.272 684 L C 0.871 177.750 176.870 0.015 0.000 1.149 684 L CA -0.069 54.798 54.840 0.045 0.000 0.897 684 L CB 0.171 42.262 42.059 0.053 0.000 1.178 684 L HN 0.772 nan 8.230 nan 0.000 0.473 685 K N 1.982 122.372 120.400 -0.016 0.000 2.242 685 K HA -0.015 4.339 4.320 0.057 0.000 0.200 685 K C 1.397 177.976 176.600 -0.035 0.000 1.050 685 K CA 0.499 56.767 56.287 -0.032 0.000 0.981 685 K CB 0.418 32.880 32.500 -0.064 0.000 0.795 685 K HN 0.599 nan 8.250 nan 0.000 0.477 686 Q N 0.495 120.277 119.800 -0.029 0.000 2.627 686 Q HA 0.249 4.623 4.340 0.057 0.000 0.201 686 Q C -0.118 175.878 176.000 -0.006 0.000 0.912 686 Q CA 0.021 55.811 55.803 -0.022 0.000 0.877 686 Q CB 0.442 29.167 28.738 -0.021 0.000 1.125 686 Q HN 0.185 nan 8.270 nan 0.000 0.637 687 A N 2.111 124.931 122.820 0.000 0.000 2.483 687 A HA 0.099 4.453 4.320 0.057 0.000 0.238 687 A C -0.138 177.453 177.584 0.011 0.000 1.070 687 A CA 0.089 52.130 52.037 0.007 0.000 0.770 687 A CB 0.138 19.144 19.000 0.010 0.000 1.008 687 A HN 0.400 nan 8.150 nan 0.000 0.497 688 K N 1.076 121.482 120.400 0.010 0.000 2.168 688 K HA 0.519 4.874 4.320 0.057 0.000 0.258 688 K C 0.373 176.984 176.600 0.018 0.000 1.010 688 K CA 0.550 56.844 56.287 0.012 0.000 0.929 688 K CB 0.449 32.952 32.500 0.006 0.000 0.998 688 K HN 1.569 nan 8.250 nan 0.000 0.479 689 G N 0.655 109.471 108.800 0.027 0.000 2.346 689 G HA2 0.019 4.013 3.960 0.057 0.000 0.294 689 G HA3 0.019 4.013 3.960 0.057 0.000 0.294 689 G C -1.425 173.516 174.900 0.070 0.000 1.294 689 G CA -0.841 44.284 45.100 0.043 0.000 0.962 689 G HN 0.568 nan 8.290 nan 0.000 0.508 690 T N 2.303 116.916 114.554 0.097 0.000 2.829 690 T HA 0.700 5.085 4.350 0.057 0.000 0.280 690 T C -2.593 172.177 174.700 0.118 0.000 0.999 690 T CA -0.685 61.494 62.100 0.131 0.000 0.983 690 T CB 2.008 70.993 68.868 0.195 0.000 0.968 690 T HN 0.440 nan 8.240 nan 0.000 0.446 691 P HA 0.324 nan 4.420 nan 0.000 0.271 691 P C -0.750 176.605 177.300 0.091 0.000 1.216 691 P CA -0.337 62.828 63.100 0.108 0.000 0.776 691 P CB 0.395 32.162 31.700 0.111 0.000 0.881 692 I N 4.757 125.376 120.570 0.082 0.000 2.328 692 I HA 0.284 4.488 4.170 0.057 0.000 0.287 692 I C -2.158 174.027 176.117 0.113 0.000 1.012 692 I CA -2.567 58.772 61.300 0.064 0.000 1.195 692 I CB 1.315 39.331 38.000 0.026 0.000 1.350 692 I HN 0.140 nan 8.210 nan 0.000 0.464 693 P HA 0.212 nan 4.420 nan 0.000 0.272 693 P C -0.491 176.959 177.300 0.250 0.000 1.230 693 P CA -0.104 63.108 63.100 0.187 0.000 0.788 693 P CB 0.735 32.556 31.700 0.201 0.000 0.949 694 I N 1.321 121.918 120.570 0.045 0.000 2.336 694 I HA 0.278 4.483 4.170 0.057 0.000 0.292 694 I C 0.763 176.766 176.117 -0.191 0.000 0.991 694 I CA -0.718 60.572 61.300 -0.017 0.000 1.227 694 I CB 1.008 38.969 38.000 -0.064 0.000 1.366 694 I HN 0.212 nan 8.210 nan 0.000 0.466 695 K N 7.754 127.982 120.400 -0.286 0.000 2.211 695 K HA 0.598 4.952 4.320 0.057 0.000 0.275 695 K C -1.400 174.975 176.600 -0.375 0.000 1.024 695 K CA -0.483 55.467 56.287 -0.561 0.000 0.887 695 K CB 0.854 32.945 32.500 -0.680 0.000 1.084 695 K HN 0.558 nan 8.250 nan 0.000 0.463 696 L N 3.503 124.481 121.223 -0.408 0.000 2.329 696 L HA 0.812 5.186 4.340 0.057 0.000 0.279 696 L C -0.489 176.227 176.870 -0.256 0.000 1.014 696 L CA -0.776 53.906 54.840 -0.262 0.000 0.814 696 L CB 1.890 43.819 42.059 -0.218 0.000 1.257 696 L HN 0.841 nan 8.230 nan 0.000 0.424 697 A N 1.922 124.638 122.820 -0.172 0.000 2.601 697 A HA 0.568 4.922 4.320 0.057 0.000 0.291 697 A C -0.836 176.697 177.584 -0.085 0.000 1.075 697 A CA -0.843 51.112 52.037 -0.137 0.000 0.671 697 A CB 1.155 20.065 19.000 -0.149 0.000 1.277 697 A HN 0.673 nan 8.150 nan 0.000 0.417 698 K N -0.145 120.216 120.400 -0.065 0.000 3.490 698 K HA -0.195 4.159 4.320 0.057 0.000 0.273 698 K C 0.069 176.646 176.600 -0.038 0.000 0.916 698 K CA 1.420 57.680 56.287 -0.044 0.000 0.718 698 K CB -1.142 31.336 32.500 -0.037 0.000 1.477 698 K HN 0.719 nan 8.250 nan 0.000 0.452 699 K N 1.780 122.157 120.400 -0.038 0.000 2.276 699 K HA 0.214 4.568 4.320 0.057 0.000 0.259 699 K C 0.171 176.761 176.600 -0.016 0.000 1.001 699 K CA -0.181 56.089 56.287 -0.029 0.000 0.927 699 K CB 0.616 33.102 32.500 -0.024 0.000 0.969 699 K HN 0.443 nan 8.250 nan 0.000 0.490 700 R N 2.215 122.709 120.500 -0.010 0.000 2.690 700 R HA 0.464 4.838 4.340 0.057 0.000 0.269 700 R C -1.589 174.714 176.300 0.005 0.000 1.037 700 R CA -0.989 55.109 56.100 -0.003 0.000 0.877 700 R CB 0.611 30.907 30.300 -0.007 0.000 1.255 700 R HN 0.595 nan 8.270 nan 0.000 0.467 701 I N 2.070 122.646 120.570 0.011 0.000 2.509 701 I HA 0.505 4.709 4.170 0.057 0.000 0.293 701 I C -1.178 174.947 176.117 0.013 0.000 1.020 701 I CA -1.258 60.054 61.300 0.020 0.000 1.088 701 I CB 1.707 39.725 38.000 0.030 0.000 1.267 701 I HN 0.614 nan 8.210 nan 0.000 0.430 702 I N 7.766 128.343 120.570 0.011 0.000 2.420 702 I HA 0.378 4.582 4.170 0.057 0.000 0.282 702 I C -0.756 175.371 176.117 0.016 0.000 1.019 702 I CA -0.600 60.706 61.300 0.009 0.000 1.130 702 I CB 1.010 39.008 38.000 -0.004 0.000 1.262 702 I HN 0.439 nan 8.210 nan 0.000 0.454 703 K N 5.479 125.889 120.400 0.018 0.000 2.270 703 K HA 0.421 4.775 4.320 0.057 0.000 0.255 703 K C -0.479 176.131 176.600 0.017 0.000 0.936 703 K CA -0.916 55.383 56.287 0.020 0.000 0.809 703 K CB 1.380 33.890 32.500 0.017 0.000 1.131 703 K HN 0.487 nan 8.250 nan 0.000 0.427 704 N N 1.561 120.271 118.700 0.017 0.000 2.642 704 N HA -0.203 4.571 4.740 0.057 0.000 0.269 704 N C 0.502 176.021 175.510 0.015 0.000 1.073 704 N CA 1.157 54.213 53.050 0.011 0.000 0.748 704 N CB -1.281 37.211 38.487 0.008 0.000 0.894 704 N HN 1.141 nan 8.380 nan 0.000 0.548 705 G N -0.874 107.939 108.800 0.021 0.000 2.309 705 G HA2 -0.363 3.631 3.960 0.057 0.000 0.286 705 G HA3 -0.363 3.631 3.960 0.057 0.000 0.286 705 G C -0.019 174.900 174.900 0.031 0.000 1.002 705 G CA 0.983 46.103 45.100 0.034 0.000 0.786 705 G HN 0.505 nan 8.290 nan 0.000 0.511 706 K N -0.207 120.206 120.400 0.023 0.000 2.345 706 K HA 0.601 4.956 4.320 0.057 0.000 0.255 706 K C -0.162 176.448 176.600 0.016 0.000 0.934 706 K CA -0.795 55.504 56.287 0.020 0.000 0.801 706 K CB 2.369 34.878 32.500 0.016 0.000 1.137 706 K HN 0.021 nan 8.250 nan 0.000 0.424 707 V N 2.930 122.853 119.914 0.015 0.000 2.407 707 V HA 0.286 4.441 4.120 0.057 0.000 0.278 707 V C -0.114 175.985 176.094 0.009 0.000 1.037 707 V CA -0.494 61.813 62.300 0.011 0.000 0.900 707 V CB 1.073 32.903 31.823 0.012 0.000 0.983 707 V HN 0.620 nan 8.190 nan 0.000 0.459 708 E N 4.054 124.258 120.200 0.007 0.000 2.316 708 E HA 0.315 4.699 4.350 0.057 0.000 0.254 708 E C -0.927 175.675 176.600 0.003 0.000 0.902 708 E CA -0.717 55.687 56.400 0.006 0.000 0.801 708 E CB 1.667 31.371 29.700 0.007 0.000 1.270 708 E HN 0.565 nan 8.360 nan 0.000 0.414 709 K N 2.140 122.541 120.400 0.001 0.000 2.524 709 K HA -0.033 4.321 4.320 0.057 0.000 0.279 709 K C 0.088 176.686 176.600 -0.003 0.000 0.993 709 K CA 0.587 56.873 56.287 -0.003 0.000 1.030 709 K CB 0.423 32.920 32.500 -0.005 0.000 0.891 709 K HN 0.313 nan 8.250 nan 0.000 0.488 710 Q N 0.302 120.100 119.800 -0.004 0.000 2.814 710 Q HA 0.445 4.819 4.340 0.057 0.000 0.283 710 Q C -1.194 174.801 176.000 -0.008 0.000 1.071 710 Q CA -0.551 55.251 55.803 -0.003 0.000 0.849 710 Q CB 2.184 30.924 28.738 0.004 0.000 1.437 710 Q HN 0.546 nan 8.270 nan 0.000 0.492 711 S N -0.009 115.687 115.700 -0.007 0.000 2.513 711 S HA 0.569 5.073 4.470 0.057 0.000 0.299 711 S C -0.714 173.878 174.600 -0.013 0.000 1.087 711 S CA -0.629 57.564 58.200 -0.011 0.000 1.012 711 S CB 0.727 63.923 63.200 -0.007 0.000 1.044 711 S HN 0.484 nan 8.310 nan 0.000 0.485 712 I N 3.426 123.981 120.570 -0.024 0.000 2.505 712 I HA 0.129 4.333 4.170 0.057 0.000 0.287 712 I C 1.191 177.291 176.117 -0.027 0.000 1.104 712 I CA -0.008 61.272 61.300 -0.034 0.000 1.387 712 I CB 0.407 38.369 38.000 -0.064 0.000 1.404 712 I HN 0.634 nan 8.210 nan 0.000 0.528 713 T N 2.837 117.377 114.554 -0.023 0.000 2.927 713 T HA 0.347 4.731 4.350 0.057 0.000 0.281 713 T C 1.200 175.869 174.700 -0.052 0.000 0.998 713 T CA -0.714 61.374 62.100 -0.020 0.000 1.019 713 T CB 1.434 70.296 68.868 -0.009 0.000 1.061 713 T HN 0.545 nan 8.240 nan 0.000 0.518 714 R N -0.094 120.382 120.500 -0.040 0.000 2.139 714 R HA -0.118 4.256 4.340 0.057 0.000 0.243 714 R C 2.580 178.822 176.300 -0.095 0.000 1.145 714 R CA 1.297 57.345 56.100 -0.086 0.000 0.976 714 R CB -0.207 30.091 30.300 -0.004 0.000 0.866 714 R HN 0.591 nan 8.270 nan 0.000 0.449 715 Q N 0.646 120.425 119.800 -0.036 0.000 2.119 715 Q HA -0.145 4.229 4.340 0.057 0.000 0.201 715 Q C 1.442 177.458 176.000 0.027 0.000 0.972 715 Q CA 1.433 57.237 55.803 0.001 0.000 0.847 715 Q CB -0.105 28.634 28.738 0.003 0.000 0.903 715 Q HN 0.318 nan 8.270 nan 0.000 0.433 716 D N -0.335 120.069 120.400 0.008 0.000 2.092 716 D HA -0.140 4.534 4.640 0.057 0.000 0.193 716 D C 2.015 178.297 176.300 -0.029 0.000 0.994 716 D CA 1.212 55.227 54.000 0.025 0.000 0.828 716 D CB -0.175 40.622 40.800 -0.005 0.000 0.963 716 D HN 0.073 nan 8.370 nan 0.000 0.450 717 V N 1.526 121.355 119.914 -0.142 0.000 2.392 717 V HA -0.202 3.952 4.120 0.057 0.000 0.249 717 V C 2.565 178.562 176.094 -0.161 0.000 1.059 717 V CA 1.009 63.159 62.300 -0.250 0.000 1.051 717 V CB -0.417 31.049 31.823 -0.594 0.000 0.658 717 V HN 0.222 nan 8.190 nan 0.000 0.455 718 L N -0.330 120.828 121.223 -0.108 0.000 2.056 718 L HA -0.164 4.210 4.340 0.057 0.000 0.207 718 L C 2.395 179.298 176.870 0.055 0.000 1.078 718 L CA 1.776 56.608 54.840 -0.013 0.000 0.749 718 L CB -0.434 41.643 42.059 0.030 0.000 0.901 718 L HN 0.354 nan 8.230 nan 0.000 0.433 719 D N 0.218 120.697 120.400 0.132 0.000 2.104 719 D HA -0.210 4.464 4.640 0.057 0.000 0.194 719 D C 2.249 178.664 176.300 0.192 0.000 0.994 719 D CA 1.286 55.458 54.000 0.288 0.000 0.830 719 D CB -0.050 41.005 40.800 0.426 0.000 0.959 719 D HN 0.284 nan 8.370 nan 0.000 0.452 720 I N 0.584 121.198 120.570 0.072 0.000 2.226 720 I HA -0.229 3.975 4.170 0.057 0.000 0.245 720 I C 2.333 178.442 176.117 -0.013 0.000 1.100 720 I CA 0.697 61.993 61.300 -0.006 0.000 1.374 720 I CB -1.092 36.880 38.000 -0.047 0.000 1.057 720 I HN -0.057 nan 8.210 nan 0.000 0.413 721 F N 2.175 122.043 119.950 -0.137 0.000 2.069 721 F HA -0.244 4.317 4.527 0.056 0.000 0.298 721 F C 2.479 178.181 175.800 -0.163 0.000 1.113 721 F CA 1.685 59.592 58.000 -0.156 0.000 1.214 721 F CB -0.287 38.615 39.000 -0.163 0.000 0.978 721 F HN -0.102 nan 8.300 nan 0.000 0.474 722 I N 0.311 120.731 120.570 -0.250 0.000 2.226 722 I HA -0.289 3.916 4.170 0.057 0.000 0.245 722 I C 2.563 178.529 176.117 -0.252 0.000 1.100 722 I CA 1.338 62.413 61.300 -0.376 0.000 1.374 722 I CB -1.607 36.089 38.000 -0.508 0.000 1.057 722 I HN 0.258 nan 8.210 nan 0.000 0.413 723 L N 0.232 121.386 121.223 -0.114 0.000 2.131 723 L HA -0.195 4.180 4.340 0.057 0.000 0.210 723 L C 2.464 179.169 176.870 -0.275 0.000 1.092 723 L CA 1.374 56.086 54.840 -0.214 0.000 0.759 723 L CB -0.771 41.141 42.059 -0.245 0.000 0.903 723 L HN 0.248 nan 8.230 nan 0.000 0.435 724 T N -1.511 112.880 114.554 -0.273 0.000 2.942 724 T HA -0.052 4.332 4.350 0.057 0.000 0.265 724 T C 1.803 176.327 174.700 -0.294 0.000 1.062 724 T CA 0.583 62.523 62.100 -0.268 0.000 1.139 724 T CB -0.061 68.656 68.868 -0.252 0.000 0.883 724 T HN 0.099 nan 8.240 nan 0.000 0.468 725 R N 1.145 121.404 120.500 -0.401 0.000 2.323 725 R HA 0.213 4.588 4.340 0.057 0.000 0.198 725 R C 0.499 176.596 176.300 -0.338 0.000 0.988 725 R CA 0.082 55.963 56.100 -0.366 0.000 1.041 725 R CB -0.785 29.215 30.300 -0.500 0.000 0.926 725 R HN 0.422 nan 8.270 nan 0.000 0.476 726 L N 2.966 123.983 121.223 -0.343 0.000 2.796 726 L HA 0.095 4.469 4.340 0.057 0.000 0.235 726 L C 1.178 177.838 176.870 -0.351 0.000 1.344 726 L CA -0.230 54.335 54.840 -0.458 0.000 1.245 726 L CB -0.173 41.667 42.059 -0.364 0.000 1.556 726 L HN 0.097 nan 8.230 nan 0.000 0.423 727 N N 0.118 118.676 118.700 -0.235 0.000 2.461 727 N HA -0.180 4.594 4.740 0.057 0.000 0.188 727 N C -0.004 175.624 175.510 0.196 0.000 1.134 727 N CA -0.313 52.728 53.050 -0.015 0.000 0.878 727 N CB -0.064 38.390 38.487 -0.054 0.000 0.972 727 N HN 0.305 nan 8.380 nan 0.000 0.456 728 Y N 0.621 120.984 120.300 0.105 0.000 2.983 728 Y HA -0.158 4.426 4.550 0.057 0.000 0.185 728 Y C 1.558 177.573 175.900 0.191 0.000 1.476 728 Y CA 0.557 58.771 58.100 0.190 0.000 0.866 728 Y CB -2.072 36.533 38.460 0.241 0.000 1.331 728 Y HN 0.381 nan 8.280 nan 0.000 0.403 729 G N 0.479 109.442 108.800 0.270 0.000 2.280 729 G HA2 -0.391 3.604 3.960 0.057 0.000 0.282 729 G HA3 -0.391 3.604 3.960 0.057 0.000 0.282 729 G C 0.511 175.510 174.900 0.165 0.000 1.000 729 G CA 0.675 45.977 45.100 0.337 0.000 0.751 729 G HN 0.994 nan 8.290 nan 0.000 0.515 730 S N 0.205 115.995 115.700 0.150 0.000 2.465 730 S HA 0.411 4.915 4.470 0.057 0.000 0.307 730 S C 1.259 175.894 174.600 0.059 0.000 1.187 730 S CA -0.686 57.575 58.200 0.102 0.000 1.141 730 S CB -0.418 62.850 63.200 0.114 0.000 1.108 730 S HN 0.388 nan 8.310 nan 0.000 0.525 731 I N 4.069 124.657 120.570 0.030 0.000 2.993 731 I HA -0.099 4.106 4.170 0.057 0.000 0.301 731 I C 0.895 177.048 176.117 0.060 0.000 1.229 731 I CA 0.264 61.587 61.300 0.038 0.000 1.435 731 I CB -0.027 37.986 38.000 0.021 0.000 1.328 731 I HN 0.736 nan 8.210 nan 0.000 0.584 732 S N 3.018 118.769 115.700 0.086 0.000 3.734 732 S HA -0.094 4.410 4.470 0.057 0.000 0.531 732 S C 0.053 174.654 174.600 0.002 0.000 0.757 732 S CA 0.078 58.305 58.200 0.045 0.000 1.388 732 S CB -1.224 62.000 63.200 0.040 0.000 0.878 732 S HN 1.018 nan 8.310 nan 0.000 0.735 733 A N 1.889 124.679 122.820 -0.050 0.000 2.476 733 A HA 0.443 4.797 4.320 0.057 0.000 0.275 733 A C 0.897 178.396 177.584 -0.142 0.000 1.133 733 A CA -0.048 51.902 52.037 -0.144 0.000 0.797 733 A CB 0.095 18.901 19.000 -0.323 0.000 1.081 733 A HN 0.600 nan 8.150 nan 0.000 0.510 734 D N 2.269 122.653 120.400 -0.027 0.000 2.538 734 D HA 0.044 4.718 4.640 0.057 0.000 0.241 734 D C 0.165 176.500 176.300 0.059 0.000 1.297 734 D CA -0.121 53.911 54.000 0.054 0.000 0.804 734 D CB 0.025 40.851 40.800 0.042 0.000 1.122 734 D HN 0.681 nan 8.370 nan 0.000 0.519 735 M N 2.048 121.648 119.600 -0.001 0.000 2.612 735 M HA 0.012 4.526 4.480 0.057 0.000 0.336 735 M C 0.626 176.898 176.300 -0.046 0.000 1.699 735 M CA 0.490 55.696 55.300 -0.157 0.000 1.284 735 M CB 0.110 32.513 32.600 -0.328 0.000 1.957 735 M HN -0.244 nan 8.290 nan 0.000 0.456 736 R N 5.590 126.074 120.500 -0.025 0.000 2.702 736 R HA 0.390 4.764 4.340 0.057 0.000 0.314 736 R C -1.410 174.869 176.300 -0.035 0.000 1.152 736 R CA 0.089 56.175 56.100 -0.024 0.000 1.097 736 R CB 0.026 30.335 30.300 0.014 0.000 1.343 736 R HN 0.710 nan 8.270 nan 0.000 0.575 737 L N 0.421 121.608 121.223 -0.059 0.000 2.549 737 L HA 0.434 4.809 4.340 0.057 0.000 0.259 737 L C -2.549 174.270 176.870 -0.085 0.000 0.934 737 L CA -2.436 52.378 54.840 -0.044 0.000 0.865 737 L CB 2.836 44.909 42.059 0.023 0.000 1.352 737 L HN 0.029 nan 8.230 nan 0.000 0.410 738 P HA -0.031 nan 4.420 nan 0.000 0.264 738 P C 0.404 177.623 177.300 -0.135 0.000 1.183 738 P CA 0.226 63.234 63.100 -0.153 0.000 0.763 738 P CB 0.843 32.449 31.700 -0.156 0.000 0.807 739 A N 6.242 128.951 122.820 -0.185 0.000 1.940 739 A HA -0.202 4.152 4.320 0.057 0.000 0.221 739 A C -0.420 177.230 177.584 0.109 0.000 1.190 739 A CA 2.133 54.142 52.037 -0.047 0.000 0.647 739 A CB -2.497 16.557 19.000 0.090 0.000 0.821 739 A HN 0.498 nan 8.150 nan 0.000 0.457 740 P HA -0.119 nan 4.420 nan 0.000 0.215 740 P C 1.603 179.015 177.300 0.187 0.000 1.157 740 P CA 1.602 64.790 63.100 0.146 0.000 0.868 740 P CB -0.113 31.561 31.700 -0.044 0.000 0.788 741 V N -1.211 118.757 119.914 0.089 0.000 2.488 741 V HA -0.227 3.927 4.120 0.057 0.000 0.246 741 V C 2.452 178.620 176.094 0.123 0.000 1.046 741 V CA 1.559 63.921 62.300 0.104 0.000 1.053 741 V CB -1.397 30.455 31.823 0.049 0.000 0.679 741 V HN 0.273 nan 8.190 nan 0.000 0.458 742 H N -0.258 118.797 119.070 -0.025 0.000 2.253 742 H HA -0.235 4.355 4.556 0.057 0.000 0.296 742 H C 2.381 177.695 175.328 -0.023 0.000 1.074 742 H CA 2.695 58.680 56.048 -0.105 0.000 1.263 742 H CB -0.250 29.317 29.762 -0.325 0.000 1.363 742 H HN 0.422 nan 8.280 nan 0.000 0.489 743 Y N 0.553 120.995 120.300 0.237 0.000 2.333 743 Y HA -0.105 4.479 4.550 0.057 0.000 0.290 743 Y C 2.914 178.951 175.900 0.228 0.000 1.144 743 Y CA 0.886 59.124 58.100 0.230 0.000 1.228 743 Y CB -0.877 37.761 38.460 0.297 0.000 0.985 743 Y HN 0.344 nan 8.280 nan 0.000 0.542 744 A N -0.329 122.678 122.820 0.313 0.000 1.858 744 A HA -0.293 4.062 4.320 0.057 0.000 0.216 744 A C 2.053 179.745 177.584 0.181 0.000 1.190 744 A CA 2.112 54.297 52.037 0.247 0.000 0.617 744 A CB -1.204 17.927 19.000 0.218 0.000 0.827 744 A HN 0.581 nan 8.150 nan 0.000 0.443 745 H N -0.078 119.024 119.070 0.053 0.000 2.319 745 H HA -0.105 4.486 4.556 0.057 0.000 0.299 745 H C 1.967 177.289 175.328 -0.009 0.000 1.092 745 H CA 2.189 58.233 56.048 -0.007 0.000 1.302 745 H CB 0.023 29.744 29.762 -0.068 0.000 1.373 745 H HN 0.229 nan 8.280 nan 0.000 0.497 746 K N -0.285 120.090 120.400 -0.042 0.000 2.103 746 K HA -0.155 4.200 4.320 0.057 0.000 0.207 746 K C 2.182 178.796 176.600 0.023 0.000 1.048 746 K CA 1.176 57.469 56.287 0.011 0.000 0.930 746 K CB -0.689 31.941 32.500 0.216 0.000 0.716 746 K HN 0.313 nan 8.250 nan 0.000 0.444 747 F N 1.510 121.325 119.950 -0.225 0.000 2.163 747 F HA -0.057 4.504 4.527 0.057 0.000 0.297 747 F C 2.208 177.729 175.800 -0.465 0.000 1.094 747 F CA 0.831 58.375 58.000 -0.760 0.000 1.290 747 F CB -0.573 37.916 39.000 -0.852 0.000 1.017 747 F HN -0.003 nan 8.300 nan 0.000 0.483 748 A N 0.457 123.106 122.820 -0.285 0.000 1.917 748 A HA -0.249 4.105 4.320 0.057 0.000 0.219 748 A C 2.202 179.590 177.584 -0.328 0.000 1.182 748 A CA 2.022 53.878 52.037 -0.303 0.000 0.633 748 A CB -0.941 17.953 19.000 -0.176 0.000 0.819 748 A HN 0.476 nan 8.150 nan 0.000 0.448 749 N N 0.280 118.779 118.700 -0.335 0.000 2.058 749 N HA -0.126 4.648 4.740 0.057 0.000 0.191 749 N C 2.014 177.411 175.510 -0.187 0.000 1.037 749 N CA 1.665 54.569 53.050 -0.243 0.000 0.848 749 N CB -0.682 37.666 38.487 -0.232 0.000 1.021 749 N HN 0.441 nan 8.380 nan 0.000 0.422 750 A N 1.441 124.086 122.820 -0.292 0.000 1.958 750 A HA -0.153 4.201 4.320 0.057 0.000 0.221 750 A C 2.331 179.839 177.584 -0.127 0.000 1.178 750 A CA 1.210 53.058 52.037 -0.315 0.000 0.642 750 A CB -0.765 17.815 19.000 -0.699 0.000 0.816 750 A HN 0.289 nan 8.150 nan 0.000 0.453 751 I N -1.126 119.211 120.570 -0.389 0.000 2.252 751 I HA -0.204 4.000 4.170 0.057 0.000 0.245 751 I C 2.440 178.480 176.117 -0.128 0.000 1.102 751 I CA 0.990 62.107 61.300 -0.306 0.000 1.385 751 I CB -0.363 37.352 38.000 -0.474 0.000 1.064 751 I HN 0.237 nan 8.210 nan 0.000 0.414 752 R N 0.946 121.374 120.500 -0.120 0.000 2.285 752 R HA -0.035 4.340 4.340 0.057 0.000 0.213 752 R C 0.815 177.116 176.300 0.003 0.000 1.068 752 R CA 0.675 56.743 56.100 -0.054 0.000 1.004 752 R CB -0.478 29.787 30.300 -0.059 0.000 0.873 752 R HN 0.436 nan 8.270 nan 0.000 0.467 753 N N 0.988 119.729 118.700 0.069 0.000 2.235 753 N HA -0.007 4.768 4.740 0.057 0.000 0.209 753 N C -0.492 175.095 175.510 0.127 0.000 1.122 753 N CA 0.114 53.246 53.050 0.136 0.000 0.845 753 N CB 0.568 39.217 38.487 0.269 0.000 1.004 753 N HN 0.112 nan 8.380 nan 0.000 0.499 754 E N -1.086 119.172 120.200 0.097 0.000 2.596 754 E HA -0.203 4.181 4.350 0.057 0.000 0.272 754 E C -0.953 175.706 176.600 0.100 0.000 1.039 754 E CA 0.376 56.810 56.400 0.058 0.000 0.804 754 E CB -1.829 27.871 29.700 0.000 0.000 1.373 754 E HN 0.360 nan 8.360 nan 0.000 0.404 755 W N 1.851 123.174 121.300 0.039 0.000 2.261 755 W HA 0.231 4.925 4.660 0.057 0.000 0.323 755 W C 1.276 177.912 176.519 0.195 0.000 1.243 755 W CA -0.001 57.434 57.345 0.149 0.000 1.210 755 W CB 0.550 30.105 29.460 0.158 0.000 1.149 755 W HN -0.062 nan 8.180 nan 0.000 0.562 756 K N 3.448 124.175 120.400 0.545 0.000 2.401 756 K HA 0.172 4.526 4.320 0.057 0.000 0.278 756 K C -0.238 176.718 176.600 0.593 0.000 1.018 756 K CA -0.090 56.456 56.287 0.433 0.000 0.981 756 K CB 0.245 32.918 32.500 0.289 0.000 0.933 756 K HN 0.466 nan 8.250 nan 0.000 0.477 757 I N 5.573 126.368 120.570 0.376 0.000 2.325 757 I HA 0.077 4.282 4.170 0.057 0.000 0.285 757 I C 0.007 176.311 176.117 0.311 0.000 1.128 757 I CA -0.575 60.974 61.300 0.416 0.000 1.261 757 I CB 0.392 38.546 38.000 0.257 0.000 1.529 757 I HN 0.323 nan 8.210 nan 0.000 0.557 758 K N 4.468 125.056 120.400 0.313 0.000 2.245 758 K HA 0.023 4.377 4.320 0.057 0.000 0.281 758 K C 1.033 177.654 176.600 0.035 0.000 1.079 758 K CA 0.285 56.559 56.287 -0.022 0.000 1.000 758 K CB 0.316 32.571 32.500 -0.409 0.000 1.038 758 K HN 0.509 nan 8.250 nan 0.000 0.430 759 E N 1.392 121.599 120.200 0.013 0.000 2.209 759 E HA -0.228 4.156 4.350 0.057 0.000 0.196 759 E C 1.442 177.920 176.600 -0.203 0.000 0.993 759 E CA 0.886 57.288 56.400 0.005 0.000 0.819 759 E CB 0.262 29.972 29.700 0.017 0.000 0.745 759 E HN 0.564 nan 8.360 nan 0.000 0.477 760 E N 0.045 120.087 120.200 -0.264 0.000 2.051 760 E HA -0.187 4.197 4.350 0.057 0.000 0.192 760 E C 1.665 178.143 176.600 -0.204 0.000 0.991 760 E CA 0.957 57.181 56.400 -0.294 0.000 0.799 760 E CB 0.047 29.535 29.700 -0.352 0.000 0.748 760 E HN 0.156 nan 8.360 nan 0.000 0.449 761 F N 0.796 120.537 119.950 -0.348 0.000 2.163 761 F HA -0.056 4.505 4.527 0.058 0.000 0.297 761 F C 2.301 177.971 175.800 -0.217 0.000 1.094 761 F CA 0.636 58.253 58.000 -0.639 0.000 1.290 761 F CB -0.991 37.784 39.000 -0.375 0.000 1.017 761 F HN 0.046 nan 8.300 nan 0.000 0.483 762 L N -0.204 121.167 121.223 0.247 0.000 2.127 762 L HA -0.193 4.181 4.340 0.057 0.000 0.211 762 L C 2.540 179.505 176.870 0.157 0.000 1.089 762 L CA 1.140 56.109 54.840 0.215 0.000 0.757 762 L CB -1.012 41.202 42.059 0.259 0.000 0.899 762 L HN 0.099 nan 8.230 nan 0.000 0.434 763 A N -0.912 121.888 122.820 -0.032 0.000 2.119 763 A HA -0.099 4.255 4.320 0.057 0.000 0.217 763 A C 1.956 179.541 177.584 0.000 0.000 1.153 763 A CA 1.084 53.044 52.037 -0.129 0.000 0.692 763 A CB -0.121 18.575 19.000 -0.507 0.000 0.799 763 A HN 0.326 nan 8.150 nan 0.000 0.458 764 E N -1.422 118.797 120.200 0.032 0.000 2.501 764 E HA 0.232 4.617 4.350 0.057 0.000 0.201 764 E C 0.976 177.705 176.600 0.215 0.000 1.016 764 E CA 0.529 57.002 56.400 0.123 0.000 0.920 764 E CB 0.249 30.045 29.700 0.159 0.000 1.023 764 E HN 0.706 nan 8.360 nan 0.000 0.474 765 G N 1.641 110.543 108.800 0.170 0.000 2.143 765 G HA2 -0.274 3.720 3.960 0.057 0.000 0.249 765 G HA3 -0.274 3.720 3.960 0.057 0.000 0.249 765 G C -0.020 174.945 174.900 0.109 0.000 0.981 765 G CA -0.325 44.820 45.100 0.075 0.000 0.665 765 G HN 0.161 nan 8.290 nan 0.000 0.528 766 F N 0.416 120.344 119.950 -0.036 0.000 2.571 766 F HA 0.304 4.866 4.527 0.058 0.000 0.390 766 F C 1.535 177.189 175.800 -0.243 0.000 1.043 766 F CA -0.090 57.884 58.000 -0.044 0.000 1.164 766 F CB 0.536 39.641 39.000 0.175 0.000 1.049 766 F HN 0.038 nan 8.300 nan 0.000 0.552 767 L N 6.567 127.571 121.223 -0.365 0.000 2.865 767 L HA 0.026 4.400 4.340 0.057 0.000 0.233 767 L C 0.906 177.304 176.870 -0.786 0.000 1.320 767 L CA -0.348 53.968 54.840 -0.874 0.000 1.225 767 L CB -0.748 40.721 42.059 -0.982 0.000 1.542 767 L HN 0.690 nan 8.230 nan 0.000 0.432 768 Y N -1.066 118.966 120.300 -0.447 0.000 2.439 768 Y HA -0.124 4.460 4.550 0.057 0.000 0.292 768 Y C 1.805 177.406 175.900 -0.498 0.000 1.130 768 Y CA 0.233 58.140 58.100 -0.322 0.000 1.254 768 Y CB -0.923 37.441 38.460 -0.160 0.000 1.000 768 Y HN 0.353 nan 8.280 nan 0.000 0.554 769 F N -0.787 118.639 119.950 -0.872 0.000 2.743 769 F HA 0.376 4.938 4.527 0.058 0.000 0.297 769 F C 0.599 175.962 175.800 -0.729 0.000 1.131 769 F CA -1.103 56.160 58.000 -1.227 0.000 1.426 769 F CB -1.158 37.147 39.000 -1.158 0.000 1.116 769 F HN -0.148 nan 8.300 nan 0.000 0.583 770 V N 0.000 119.379 119.914 -0.892 0.000 2.409 770 V HA 0.000 4.154 4.120 0.057 0.000 0.244 770 V CA 0.000 62.050 62.300 -0.417 0.000 1.235 770 V CB 0.000 31.568 31.823 -0.425 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556