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 2bgr_1_B DATA FIRST_RESID 38 DATA SEQUENCE DSRKTYTLTD YLKNTYRLKL YSLRWISDHE YLYKQENNIL VFNAEYGNSS DATA SEQUENCE VFLENSTFDE FGHSINDYSI SPDGQFILLE YNYVKQWRHS YTASYDIYDL DATA SEQUENCE NKRQLITEER IPNNTQWVTW SPVGHKLAYV WNNDIYVKIE PNLPSYRITW DATA SEQUENCE TGKEDIIYNG ITDWVYEEEV FSAYSALWWS PNGTFLAYAQ FNDTEVPLIE DATA SEQUENCE YSFYSDESLQ YPKTVRVPYP KAGAVNPTVK FFVVNTDSLS SVTNATSIQI DATA SEQUENCE TAPASMLIGD HYLCDVTWAT QERISLQWLR RIQNYSVMDI cDYDESSGRW DATA SEQUENCE NcLVARQHIE MSTTGWVGRF RPSEPHFTLD GNSFYKIISN EEGYRHIcYF DATA SEQUENCE QIDKKDcTFI TKGTWEVIGI EALTSDYLYY ISNEYKGMPG GRNLYKIQLS DATA SEQUENCE DYTKVTCLSC ELNPERcQYY SVSFSKEAKY YQLRcSGPGL PLYTLHSSVN DATA SEQUENCE DKGLRVLEDN SALDKMLQNV QMPSKKLDFI ILNETKFWYQ MILPPHFDKS DATA SEQUENCE KKYPLLLDVY AGPCSQKADT VFRLNWATYL ASTENIIVAS FDGRGSGYQG DATA SEQUENCE DKIMHAINRR LGTFEVEDQI EAARQFSKMG FVDNKRIAIW GWSYGGYVTS DATA SEQUENCE MVLGSGSGVF KcGIAVAPVS RWEYYDSVYT ERYMGLPTPE DNLDHYRNST DATA SEQUENCE VMSRAENFKQ VEYLLIHGTA DDNVHFQQSA QISKALVDVG VDFQAMWYTD DATA SEQUENCE EDHGIASSTA HQHIYTHMSH FIKQcFSLP 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 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.322 176.300 0.037 0.000 2.045 38 D CA 0.000 54.009 54.000 0.014 0.000 0.868 38 D CB 0.000 40.837 40.800 0.061 0.000 0.688 39 S N 2.252 117.978 115.700 0.044 0.000 2.557 39 S HA 0.273 4.740 4.470 -0.004 0.000 0.223 39 S C 0.886 175.522 174.600 0.061 0.000 0.969 39 S CA -0.476 57.752 58.200 0.046 0.000 0.927 39 S CB 0.203 63.423 63.200 0.034 0.000 0.806 39 S HN 0.320 nan 8.310 nan 0.000 0.489 40 R N 2.783 123.327 120.500 0.074 0.000 2.679 40 R HA 0.163 4.501 4.340 -0.004 0.000 0.268 40 R C 0.545 176.898 176.300 0.088 0.000 1.044 40 R CA -0.066 56.082 56.100 0.079 0.000 1.105 40 R CB 0.475 30.823 30.300 0.080 0.000 0.989 40 R HN 0.553 nan 8.270 nan 0.000 0.447 41 K N 0.435 120.890 120.400 0.092 0.000 2.286 41 K HA 0.041 4.359 4.320 -0.004 0.000 0.256 41 K C -0.071 176.599 176.600 0.117 0.000 0.999 41 K CA -0.204 56.146 56.287 0.105 0.000 0.908 41 K CB 0.405 32.976 32.500 0.118 0.000 0.981 41 K HN 0.631 nan 8.250 nan 0.000 0.500 42 T N -1.885 112.748 114.554 0.131 0.000 2.936 42 T HA 0.161 4.509 4.350 -0.004 0.000 0.282 42 T C -0.739 174.089 174.700 0.213 0.000 1.003 42 T CA -0.835 61.357 62.100 0.154 0.000 1.005 42 T CB 0.569 69.525 68.868 0.147 0.000 1.097 42 T HN 0.541 nan 8.240 nan 0.000 0.532 43 Y N 2.606 122.967 120.300 0.102 0.000 2.539 43 Y HA 0.367 4.915 4.550 -0.004 0.000 0.352 43 Y C 0.947 176.993 175.900 0.244 0.000 1.004 43 Y CA -0.278 57.916 58.100 0.155 0.000 1.278 43 Y CB -0.213 38.299 38.460 0.086 0.000 1.136 43 Y HN 1.000 nan 8.280 nan 0.000 0.528 44 T N 2.357 116.895 114.554 -0.026 0.000 2.862 44 T HA 0.148 4.496 4.350 -0.004 0.000 0.276 44 T C 0.940 175.521 174.700 -0.197 0.000 0.974 44 T CA -0.779 61.342 62.100 0.036 0.000 0.966 44 T CB 1.279 70.150 68.868 0.004 0.000 1.072 44 T HN 0.671 nan 8.240 nan 0.000 0.538 45 L N 0.982 121.932 121.223 -0.455 0.000 2.046 45 L HA 0.015 4.353 4.340 -0.004 0.000 0.208 45 L C 2.650 179.373 176.870 -0.245 0.000 1.077 45 L CA 2.136 56.606 54.840 -0.617 0.000 0.747 45 L CB -1.457 40.095 42.059 -0.845 0.000 0.896 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.570 113.868 114.554 -0.195 0.000 2.720 46 T HA -0.175 4.172 4.350 -0.004 0.000 0.268 46 T C 1.488 176.100 174.700 -0.148 0.000 1.037 46 T CA 1.437 63.454 62.100 -0.138 0.000 1.144 46 T CB -0.420 68.389 68.868 -0.098 0.000 0.864 46 T HN 0.390 nan 8.240 nan 0.000 0.444 47 D N 0.200 120.481 120.400 -0.199 0.000 2.116 47 D HA -0.120 4.518 4.640 -0.004 0.000 0.193 47 D C 1.740 177.941 176.300 -0.165 0.000 0.998 47 D CA 1.164 55.014 54.000 -0.250 0.000 0.836 47 D CB -0.459 40.083 40.800 -0.431 0.000 0.951 47 D HN 0.418 nan 8.370 nan 0.000 0.449 48 Y N 1.270 121.383 120.300 -0.312 0.000 2.145 48 Y HA -0.109 4.439 4.550 -0.003 0.000 0.286 48 Y C 2.190 178.095 175.900 0.008 0.000 1.145 48 Y CA 1.269 59.358 58.100 -0.018 0.000 1.148 48 Y CB -0.586 37.916 38.460 0.069 0.000 0.981 48 Y HN -0.070 nan 8.280 nan 0.000 0.507 49 L N -0.153 120.914 121.223 -0.261 0.000 2.240 49 L HA -0.104 4.234 4.340 -0.004 0.000 0.211 49 L C 1.713 178.481 176.870 -0.170 0.000 1.106 49 L CA 0.965 55.618 54.840 -0.312 0.000 0.793 49 L CB -0.332 41.610 42.059 -0.195 0.000 0.927 49 L HN 0.026 nan 8.230 nan 0.000 0.446 50 K N -0.315 120.008 120.400 -0.127 0.000 2.374 50 K HA 0.079 4.397 4.320 -0.004 0.000 0.196 50 K C 0.291 176.844 176.600 -0.078 0.000 1.023 50 K CA -0.135 56.097 56.287 -0.092 0.000 1.103 50 K CB -0.220 32.227 32.500 -0.089 0.000 0.848 50 K HN 0.068 nan 8.250 nan 0.000 0.528 51 N N 1.183 119.849 118.700 -0.057 0.000 2.740 51 N HA -0.154 4.583 4.740 -0.004 0.000 0.248 51 N C 0.194 175.687 175.510 -0.028 0.000 1.062 51 N CA 1.003 54.053 53.050 0.001 0.000 0.704 51 N CB -1.591 36.889 38.487 -0.012 0.000 0.968 51 N HN 0.131 nan 8.380 nan 0.000 0.547 52 T N -0.945 113.546 114.554 -0.104 0.000 2.788 52 T HA -0.143 4.205 4.350 -0.004 0.000 0.268 52 T C 0.263 174.736 174.700 -0.377 0.000 1.044 52 T CA 1.465 63.375 62.100 -0.317 0.000 1.139 52 T CB -0.155 68.375 68.868 -0.563 0.000 0.867 52 T HN 0.388 nan 8.240 nan 0.000 0.454 53 Y N 1.098 121.488 120.300 0.151 0.000 2.388 53 Y HA 0.539 5.087 4.550 -0.003 0.000 0.328 53 Y C 0.270 176.277 175.900 0.179 0.000 0.963 53 Y CA -1.221 56.991 58.100 0.187 0.000 1.240 53 Y CB 0.766 39.399 38.460 0.290 0.000 1.118 53 Y HN -0.141 nan 8.280 nan 0.000 0.484 54 R N 3.792 124.439 120.500 0.246 0.000 2.343 54 R HA 0.538 4.876 4.340 -0.004 0.000 0.320 54 R C -1.186 175.214 176.300 0.167 0.000 0.956 54 R CA -0.699 55.504 56.100 0.171 0.000 0.836 54 R CB 0.877 31.235 30.300 0.097 0.000 1.151 54 R HN 0.701 nan 8.270 nan 0.000 0.450 55 L N 4.675 126.003 121.223 0.174 0.000 2.410 55 L HA 0.188 4.525 4.340 -0.004 0.000 0.273 55 L C 0.356 177.298 176.870 0.119 0.000 1.144 55 L CA 0.309 55.247 54.840 0.163 0.000 0.863 55 L CB 0.619 42.794 42.059 0.194 0.000 1.140 55 L HN 0.437 nan 8.230 nan 0.000 0.463 56 K N 4.384 124.848 120.400 0.106 0.000 2.174 56 K HA 0.575 4.893 4.320 -0.004 0.000 0.275 56 K C -0.554 176.067 176.600 0.035 0.000 1.015 56 K CA -0.461 55.864 56.287 0.063 0.000 0.933 56 K CB 1.224 33.759 32.500 0.059 0.000 1.025 56 K HN 0.423 nan 8.250 nan 0.000 0.463 57 L N 1.295 122.468 121.223 -0.083 0.000 2.267 57 L HA 0.503 4.841 4.340 -0.004 0.000 0.264 57 L C -0.868 175.708 176.870 -0.491 0.000 1.021 57 L CA -1.173 53.467 54.840 -0.335 0.000 0.861 57 L CB 0.639 42.624 42.059 -0.124 0.000 1.443 57 L HN 0.540 nan 8.230 nan 0.000 0.475 58 Y N 0.232 119.978 120.300 -0.923 0.000 2.541 58 Y HA 0.323 4.871 4.550 -0.004 0.000 0.350 58 Y C -0.787 174.956 175.900 -0.262 0.000 1.075 58 Y CA -0.558 57.253 58.100 -0.481 0.000 1.302 58 Y CB 1.287 39.367 38.460 -0.633 0.000 1.094 58 Y HN 0.416 nan 8.280 nan 0.000 0.579 59 S N 6.544 122.199 115.700 -0.075 0.000 2.411 59 S HA 0.541 5.009 4.470 -0.004 0.000 0.294 59 S C -0.388 174.201 174.600 -0.018 0.000 1.115 59 S CA -0.637 57.546 58.200 -0.028 0.000 1.071 59 S CB 0.055 63.235 63.200 -0.034 0.000 0.967 59 S HN 0.624 nan 8.310 nan 0.000 0.488 60 L N 1.608 122.778 121.223 -0.089 0.000 2.303 60 L HA 0.756 5.094 4.340 -0.004 0.000 0.266 60 L C -0.781 175.989 176.870 -0.167 0.000 1.011 60 L CA -1.054 53.682 54.840 -0.173 0.000 0.818 60 L CB 1.569 43.241 42.059 -0.646 0.000 1.326 60 L HN 0.429 nan 8.230 nan 0.000 0.435 61 R N 1.339 121.772 120.500 -0.112 0.000 2.435 61 R HA 0.353 4.691 4.340 -0.004 0.000 0.308 61 R C -1.632 174.656 176.300 -0.020 0.000 0.975 61 R CA -0.407 55.670 56.100 -0.039 0.000 0.867 61 R CB 1.474 31.798 30.300 0.040 0.000 1.171 61 R HN 0.638 nan 8.270 nan 0.000 0.470 62 W N 4.482 125.873 121.300 0.151 0.000 2.264 62 W HA 0.077 4.735 4.660 -0.003 0.000 0.331 62 W C 1.587 178.171 176.519 0.108 0.000 1.364 62 W CA -0.315 57.125 57.345 0.159 0.000 1.253 62 W CB 0.399 29.954 29.460 0.157 0.000 1.215 62 W HN 0.648 nan 8.180 nan 0.000 0.561 63 I N 0.433 121.183 120.570 0.300 0.000 4.082 63 I HA 0.333 4.500 4.170 -0.004 0.000 0.337 63 I C 0.578 176.785 176.117 0.149 0.000 1.352 63 I CA -0.084 61.311 61.300 0.158 0.000 1.097 63 I CB -0.117 37.905 38.000 0.036 0.000 1.048 63 I HN 0.275 nan 8.210 nan 0.000 0.393 64 S N -0.662 115.169 115.700 0.218 0.000 2.755 64 S HA 0.256 4.724 4.470 -0.004 0.000 0.286 64 S C -0.199 174.521 174.600 0.200 0.000 1.207 64 S CA -0.226 58.066 58.200 0.153 0.000 0.892 64 S CB 1.208 64.431 63.200 0.038 0.000 1.240 64 S HN 0.046 nan 8.310 nan 0.000 0.525 65 D N 0.098 120.613 120.400 0.191 0.000 2.363 65 D HA 0.116 4.754 4.640 -0.004 0.000 0.220 65 D C 1.117 177.646 176.300 0.381 0.000 0.994 65 D CA 1.391 55.513 54.000 0.202 0.000 0.890 65 D CB -0.033 40.885 40.800 0.196 0.000 0.906 65 D HN 0.668 nan 8.370 nan 0.000 0.530 66 H N -2.428 116.821 119.070 0.298 0.000 3.566 66 H HA 0.366 4.920 4.556 -0.004 0.000 0.259 66 H C -0.473 175.015 175.328 0.267 0.000 1.184 66 H CA -0.333 55.891 56.048 0.294 0.000 1.107 66 H CB -0.009 29.906 29.762 0.255 0.000 1.726 66 H HN -0.006 nan 8.280 nan 0.000 0.743 67 E N 1.203 121.423 120.200 0.033 0.000 2.288 67 E HA 0.397 4.745 4.350 -0.004 0.000 0.268 67 E C -1.489 175.230 176.600 0.198 0.000 0.885 67 E CA -1.202 55.201 56.400 0.006 0.000 0.767 67 E CB 2.917 32.510 29.700 -0.178 0.000 1.220 67 E HN 0.315 nan 8.360 nan 0.000 0.427 68 Y N -0.396 119.875 120.300 -0.049 0.000 2.576 68 Y HA 0.647 5.195 4.550 -0.004 0.000 0.346 68 Y C -1.440 174.418 175.900 -0.070 0.000 1.018 68 Y CA -1.329 56.649 58.100 -0.204 0.000 1.050 68 Y CB 0.849 38.881 38.460 -0.714 0.000 1.280 68 Y HN 0.305 nan 8.280 nan 0.000 0.474 69 L N 3.033 124.347 121.223 0.152 0.000 2.334 69 L HA 0.526 4.864 4.340 -0.004 0.000 0.275 69 L C -1.309 175.761 176.870 0.333 0.000 1.036 69 L CA -1.005 53.913 54.840 0.130 0.000 0.807 69 L CB 1.589 43.646 42.059 -0.002 0.000 1.231 69 L HN 0.794 nan 8.230 nan 0.000 0.438 70 Y N 2.289 122.684 120.300 0.158 0.000 2.482 70 Y HA 0.301 4.849 4.550 -0.004 0.000 0.334 70 Y C -0.844 175.083 175.900 0.045 0.000 1.091 70 Y CA -1.180 56.964 58.100 0.073 0.000 1.027 70 Y CB 1.672 40.191 38.460 0.100 0.000 1.306 70 Y HN 0.451 nan 8.280 nan 0.000 0.446 71 K N 4.998 125.039 120.400 -0.598 0.000 2.227 71 K HA 0.345 4.663 4.320 -0.004 0.000 0.280 71 K C -1.181 175.060 176.600 -0.599 0.000 1.041 71 K CA -0.443 55.581 56.287 -0.437 0.000 0.905 71 K CB 0.834 33.155 32.500 -0.299 0.000 1.068 71 K HN 0.849 nan 8.250 nan 0.000 0.470 72 Q N 4.436 124.080 119.800 -0.260 0.000 2.294 72 Q HA 0.098 4.436 4.340 -0.004 0.000 0.264 72 Q C -1.230 174.725 176.000 -0.074 0.000 0.992 72 Q CA -0.250 55.472 55.803 -0.134 0.000 0.747 72 Q CB 1.028 29.808 28.738 0.069 0.000 1.262 72 Q HN 0.779 nan 8.270 nan 0.000 0.452 73 E N 3.431 123.586 120.200 -0.076 0.000 2.416 73 E HA -0.329 4.019 4.350 -0.004 0.000 0.249 73 E C -0.386 176.175 176.600 -0.065 0.000 1.124 73 E CA 0.549 56.917 56.400 -0.054 0.000 0.732 73 E CB -1.417 28.265 29.700 -0.030 0.000 1.286 73 E HN 0.983 nan 8.360 nan 0.000 0.394 74 N N -1.222 117.426 118.700 -0.086 0.000 2.857 74 N HA -0.177 4.561 4.740 -0.004 0.000 0.242 74 N C -0.320 175.136 175.510 -0.090 0.000 0.983 74 N CA 1.429 54.428 53.050 -0.085 0.000 0.934 74 N CB -1.125 37.324 38.487 -0.063 0.000 1.115 74 N HN 0.487 nan 8.380 nan 0.000 0.593 75 N N 1.022 119.671 118.700 -0.085 0.000 2.514 75 N HA 0.260 4.998 4.740 -0.004 0.000 0.277 75 N C 0.302 175.761 175.510 -0.085 0.000 1.126 75 N CA -0.080 52.922 53.050 -0.080 0.000 0.978 75 N CB 1.061 39.512 38.487 -0.059 0.000 1.106 75 N HN 0.184 nan 8.380 nan 0.000 0.461 76 I N 3.231 123.753 120.570 -0.080 0.000 2.337 76 I HA 0.190 4.358 4.170 -0.004 0.000 0.291 76 I C 0.244 176.383 176.117 0.035 0.000 1.046 76 I CA -0.314 60.953 61.300 -0.056 0.000 1.324 76 I CB 0.521 38.452 38.000 -0.114 0.000 1.409 76 I HN 0.219 nan 8.210 nan 0.000 0.494 77 L N 6.779 128.033 121.223 0.051 0.000 2.344 77 L HA 0.574 4.912 4.340 -0.004 0.000 0.272 77 L C -0.244 176.633 176.870 0.011 0.000 1.035 77 L CA -0.928 53.922 54.840 0.017 0.000 0.807 77 L CB 2.039 44.088 42.059 -0.017 0.000 1.237 77 L HN 0.303 nan 8.230 nan 0.000 0.442 78 V N 2.432 122.292 119.914 -0.091 0.000 2.417 78 V HA 0.467 4.584 4.120 -0.004 0.000 0.291 78 V C -0.850 175.057 176.094 -0.311 0.000 1.024 78 V CA -0.211 62.007 62.300 -0.136 0.000 0.861 78 V CB 1.266 33.060 31.823 -0.048 0.000 0.985 78 V HN 0.423 nan 8.190 nan 0.000 0.436 79 F N 5.253 124.921 119.950 -0.469 0.000 2.450 79 F HA 0.472 4.996 4.527 -0.004 0.000 0.332 79 F C 0.610 176.129 175.800 -0.469 0.000 1.093 79 F CA -0.489 57.165 58.000 -0.577 0.000 1.003 79 F CB 1.443 39.759 39.000 -1.140 0.000 1.151 79 F HN 0.470 nan 8.300 nan 0.000 0.474 80 N N 2.208 120.873 118.700 -0.058 0.000 2.406 80 N HA 0.187 4.924 4.740 -0.004 0.000 0.251 80 N C 0.620 176.119 175.510 -0.018 0.000 1.069 80 N CA 0.165 53.229 53.050 0.024 0.000 0.947 80 N CB 1.600 40.171 38.487 0.139 0.000 1.111 80 N HN 0.822 nan 8.380 nan 0.000 0.497 81 A N 4.104 126.875 122.820 -0.082 0.000 1.908 81 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 81 A C 1.909 179.277 177.584 -0.360 0.000 1.181 81 A CA 1.532 53.436 52.037 -0.221 0.000 0.627 81 A CB -0.477 18.219 19.000 -0.507 0.000 0.818 81 A HN 0.867 nan 8.150 nan 0.000 0.445 82 E N -1.808 118.134 120.200 -0.430 0.000 2.077 82 E HA -0.188 4.160 4.350 -0.004 0.000 0.193 82 E C 1.404 177.706 176.600 -0.496 0.000 0.989 82 E CA 1.529 57.638 56.400 -0.484 0.000 0.800 82 E CB -0.115 29.168 29.700 -0.695 0.000 0.746 82 E HN 0.835 nan 8.360 nan 0.000 0.452 83 Y N -2.265 118.045 120.300 0.015 0.000 2.483 83 Y HA 0.299 4.846 4.550 -0.004 0.000 0.258 83 Y C 1.549 177.465 175.900 0.027 0.000 1.083 83 Y CA 0.008 58.120 58.100 0.021 0.000 1.283 83 Y CB 1.431 39.903 38.460 0.021 0.000 1.178 83 Y HN 0.194 nan 8.280 nan 0.000 0.515 84 G N 1.154 110.047 108.800 0.154 0.000 2.176 84 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.253 84 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.253 84 G C 0.005 175.034 174.900 0.214 0.000 0.979 84 G CA 0.199 45.408 45.100 0.181 0.000 0.641 84 G HN 0.438 nan 8.290 nan 0.000 0.530 85 N N 0.815 119.594 118.700 0.131 0.000 2.444 85 N HA 0.524 5.261 4.740 -0.004 0.000 0.255 85 N C 0.180 175.597 175.510 -0.156 0.000 1.255 85 N CA 0.785 53.842 53.050 0.011 0.000 0.933 85 N CB 1.396 39.889 38.487 0.011 0.000 1.143 85 N HN 0.978 nan 8.380 nan 0.000 0.453 86 S N -0.534 114.974 115.700 -0.321 0.000 2.697 86 S HA 0.802 5.270 4.470 -0.004 0.000 0.289 86 S C -0.802 173.614 174.600 -0.306 0.000 1.149 86 S CA -0.786 57.081 58.200 -0.555 0.000 0.850 86 S CB 1.524 63.978 63.200 -1.244 0.000 1.151 86 S HN 0.672 nan 8.310 nan 0.000 0.491 87 S N -0.457 115.080 115.700 -0.272 0.000 2.671 87 S HA 0.610 5.078 4.470 -0.004 0.000 0.277 87 S C -1.171 173.363 174.600 -0.111 0.000 1.165 87 S CA -0.777 57.335 58.200 -0.146 0.000 0.822 87 S CB 1.438 64.589 63.200 -0.082 0.000 1.150 87 S HN 0.788 nan 8.310 nan 0.000 0.479 88 V N 2.481 122.353 119.914 -0.069 0.000 2.455 88 V HA 0.263 4.381 4.120 -0.004 0.000 0.273 88 V C 0.342 176.441 176.094 0.008 0.000 1.045 88 V CA 0.067 62.343 62.300 -0.040 0.000 0.976 88 V CB 0.200 31.984 31.823 -0.064 0.000 0.993 88 V HN 0.923 nan 8.190 nan 0.000 0.475 89 F N 4.906 124.794 119.950 -0.103 0.000 2.220 89 F HA 0.370 4.895 4.527 -0.004 0.000 0.290 89 F C 0.578 176.323 175.800 -0.092 0.000 1.080 89 F CA 0.813 58.763 58.000 -0.083 0.000 1.318 89 F CB 0.568 39.528 39.000 -0.067 0.000 1.063 89 F HN 0.342 nan 8.300 nan 0.000 0.498 90 L N 1.818 123.052 121.223 0.018 0.000 2.457 90 L HA 0.284 4.621 4.340 -0.004 0.000 0.266 90 L C -0.797 175.995 176.870 -0.130 0.000 0.979 90 L CA -0.623 54.143 54.840 -0.124 0.000 0.857 90 L CB 1.277 43.297 42.059 -0.065 0.000 1.213 90 L HN -0.049 nan 8.230 nan 0.000 0.418 91 E N 2.440 122.538 120.200 -0.170 0.000 2.452 91 E HA -0.047 4.301 4.350 -0.004 0.000 0.261 91 E C 0.663 177.164 176.600 -0.165 0.000 0.987 91 E CA 0.059 56.368 56.400 -0.151 0.000 0.926 91 E CB 0.731 30.338 29.700 -0.155 0.000 0.934 91 E HN 0.563 nan 8.360 nan 0.000 0.452 92 N N 1.346 119.975 118.700 -0.118 0.000 2.573 92 N HA -0.154 4.584 4.740 -0.004 0.000 0.187 92 N C 1.068 176.518 175.510 -0.100 0.000 1.107 92 N CA 1.076 54.066 53.050 -0.100 0.000 0.918 92 N CB -0.057 38.386 38.487 -0.075 0.000 0.966 92 N HN 0.271 nan 8.380 nan 0.000 0.448 93 S N -2.207 113.416 115.700 -0.128 0.000 2.517 93 S HA 0.078 4.545 4.470 -0.004 0.000 0.214 93 S C 1.546 176.031 174.600 -0.192 0.000 0.991 93 S CA 0.043 58.170 58.200 -0.121 0.000 0.906 93 S CB -0.527 62.610 63.200 -0.105 0.000 0.789 93 S HN 0.142 nan 8.310 nan 0.000 0.513 94 T N 1.816 116.166 114.554 -0.339 0.000 2.737 94 T HA 0.016 4.364 4.350 -0.004 0.000 0.269 94 T C 0.194 174.446 174.700 -0.746 0.000 1.040 94 T CA 1.373 63.094 62.100 -0.630 0.000 1.142 94 T CB -0.427 67.844 68.868 -0.995 0.000 0.861 94 T HN 0.565 nan 8.240 nan 0.000 0.456 95 F N 1.050 120.914 119.950 -0.143 0.000 2.750 95 F HA 0.341 4.866 4.527 -0.003 0.000 0.297 95 F C 0.197 175.993 175.800 -0.007 0.000 1.138 95 F CA -1.561 56.380 58.000 -0.097 0.000 1.346 95 F CB -0.092 38.736 39.000 -0.286 0.000 0.965 95 F HN -0.100 nan 8.300 nan 0.000 0.514 96 D N 0.860 121.295 120.400 0.059 0.000 2.424 96 D HA 0.092 4.729 4.640 -0.004 0.000 0.244 96 D C 0.839 177.187 176.300 0.079 0.000 1.134 96 D CA 0.580 54.611 54.000 0.052 0.000 0.881 96 D CB 0.499 41.297 40.800 -0.005 0.000 1.191 96 D HN 0.289 nan 8.370 nan 0.000 0.445 97 E N -0.383 119.860 120.200 0.072 0.000 3.496 97 E HA -0.301 4.047 4.350 -0.004 0.000 0.300 97 E C 0.668 177.327 176.600 0.099 0.000 0.877 97 E CA 0.222 56.653 56.400 0.051 0.000 1.050 97 E CB -1.748 27.966 29.700 0.024 0.000 1.532 97 E HN 0.549 nan 8.360 nan 0.000 0.447 98 F N 0.105 120.073 119.950 0.029 0.000 2.234 98 F HA 0.015 4.539 4.527 -0.004 0.000 0.299 98 F C 1.964 177.729 175.800 -0.058 0.000 1.087 98 F CA 1.975 59.995 58.000 0.033 0.000 1.340 98 F CB 0.221 39.260 39.000 0.065 0.000 1.031 98 F HN 0.168 nan 8.300 nan 0.000 0.500 99 G N -0.723 108.036 108.800 -0.067 0.000 2.175 99 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.244 99 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.244 99 G C -0.016 174.579 174.900 -0.508 0.000 0.982 99 G CA 0.167 45.075 45.100 -0.320 0.000 0.641 99 G HN 0.534 nan 8.290 nan 0.000 0.527 100 H N -0.604 118.498 119.070 0.053 0.000 3.012 100 H HA 0.569 5.123 4.556 -0.003 0.000 0.367 100 H C -0.775 174.637 175.328 0.141 0.000 1.211 100 H CA -0.067 56.029 56.048 0.079 0.000 1.139 100 H CB 1.574 31.308 29.762 -0.046 0.000 1.838 100 H HN 0.134 nan 8.280 nan 0.000 0.550 101 S N 1.552 117.387 115.700 0.224 0.000 2.499 101 S HA 0.292 4.759 4.470 -0.004 0.000 0.275 101 S C 0.209 174.867 174.600 0.096 0.000 1.257 101 S CA -0.626 57.647 58.200 0.122 0.000 1.050 101 S CB -0.385 62.869 63.200 0.090 0.000 0.937 101 S HN 0.312 nan 8.310 nan 0.000 0.490 102 I N 5.645 126.208 120.570 -0.012 0.000 2.325 102 I HA 0.192 4.360 4.170 -0.004 0.000 0.291 102 I C 1.686 177.780 176.117 -0.040 0.000 1.019 102 I CA -0.195 61.059 61.300 -0.076 0.000 1.302 102 I CB 0.877 38.718 38.000 -0.265 0.000 1.401 102 I HN 0.734 nan 8.210 nan 0.000 0.485 103 N N 3.670 122.352 118.700 -0.031 0.000 2.333 103 N HA -0.056 4.682 4.740 -0.004 0.000 0.178 103 N C -0.004 175.454 175.510 -0.087 0.000 1.018 103 N CA 0.864 53.859 53.050 -0.092 0.000 0.882 103 N CB 0.487 38.885 38.487 -0.149 0.000 0.984 103 N HN 0.679 nan 8.380 nan 0.000 0.434 104 D N -1.971 118.417 120.400 -0.020 0.000 2.807 104 D HA 0.177 4.815 4.640 -0.004 0.000 0.279 104 D C -1.746 174.628 176.300 0.123 0.000 1.247 104 D CA -0.438 53.578 54.000 0.027 0.000 0.749 104 D CB 0.595 41.362 40.800 -0.056 0.000 1.264 104 D HN 0.110 nan 8.370 nan 0.000 0.421 105 Y N -1.181 119.138 120.300 0.031 0.000 2.625 105 Y HA 0.783 5.331 4.550 -0.003 0.000 0.338 105 Y C -1.323 174.665 175.900 0.146 0.000 1.123 105 Y CA -0.941 57.203 58.100 0.074 0.000 1.046 105 Y CB 1.701 40.189 38.460 0.047 0.000 1.299 105 Y HN 0.209 nan 8.280 nan 0.000 0.464 106 S N 2.545 118.385 115.700 0.233 0.000 2.652 106 S HA 0.458 4.926 4.470 -0.004 0.000 0.273 106 S C -1.735 173.170 174.600 0.508 0.000 1.172 106 S CA -0.618 57.733 58.200 0.251 0.000 1.009 106 S CB 0.535 63.899 63.200 0.274 0.000 1.094 106 S HN 0.936 nan 8.310 nan 0.000 0.471 107 I N 5.070 125.836 120.570 0.326 0.000 2.428 107 I HA 0.383 4.551 4.170 -0.004 0.000 0.289 107 I C 0.772 176.733 176.117 -0.259 0.000 1.019 107 I CA -0.215 61.190 61.300 0.175 0.000 1.351 107 I CB 1.345 39.449 38.000 0.173 0.000 1.412 107 I HN 0.870 nan 8.210 nan 0.000 0.513 108 S N 7.477 122.703 115.700 -0.790 0.000 2.568 108 S HA 0.183 4.650 4.470 -0.004 0.000 0.282 108 S C -1.759 172.561 174.600 -0.468 0.000 1.338 108 S CA -0.899 56.502 58.200 -1.332 0.000 1.045 108 S CB 0.721 63.095 63.200 -1.377 0.000 0.873 108 S HN 0.516 nan 8.310 nan 0.000 0.516 109 P HA -0.108 nan 4.420 nan 0.000 0.219 109 P C 0.660 177.918 177.300 -0.070 0.000 1.146 109 P CA 1.437 64.468 63.100 -0.115 0.000 0.808 109 P CB -0.253 31.403 31.700 -0.073 0.000 0.779 110 D N -1.778 118.576 120.400 -0.077 0.000 2.328 110 D HA 0.098 4.735 4.640 -0.004 0.000 0.226 110 D C 1.350 177.646 176.300 -0.007 0.000 1.066 110 D CA 0.361 54.352 54.000 -0.014 0.000 0.861 110 D CB -1.244 39.573 40.800 0.028 0.000 0.912 110 D HN 0.174 nan 8.370 nan 0.000 0.521 111 G N 0.494 109.277 108.800 -0.029 0.000 2.203 111 G HA2 -0.409 3.548 3.960 -0.004 0.000 0.263 111 G HA3 -0.409 3.548 3.960 -0.004 0.000 0.263 111 G C 0.849 175.732 174.900 -0.029 0.000 1.012 111 G CA 0.681 45.797 45.100 0.027 0.000 0.749 111 G HN 0.480 nan 8.290 nan 0.000 0.512 112 Q N -1.845 117.885 119.800 -0.117 0.000 2.376 112 Q HA 0.379 4.716 4.340 -0.004 0.000 0.206 112 Q C 0.196 175.744 176.000 -0.754 0.000 0.921 112 Q CA 0.579 56.137 55.803 -0.408 0.000 0.911 112 Q CB 0.449 28.935 28.738 -0.420 0.000 1.032 112 Q HN 0.579 nan 8.270 nan 0.000 0.510 113 F N -0.551 119.351 119.950 -0.079 0.000 2.613 113 F HA 0.500 5.025 4.527 -0.004 0.000 0.314 113 F C -0.668 175.222 175.800 0.150 0.000 1.075 113 F CA -1.132 56.887 58.000 0.031 0.000 0.945 113 F CB 1.792 40.827 39.000 0.058 0.000 1.310 113 F HN -0.223 nan 8.300 nan 0.000 0.467 114 I N 2.922 123.820 120.570 0.546 0.000 2.466 114 I HA 0.474 4.641 4.170 -0.004 0.000 0.289 114 I C -1.792 174.671 176.117 0.575 0.000 1.026 114 I CA -1.068 60.564 61.300 0.554 0.000 1.078 114 I CB 1.558 39.846 38.000 0.479 0.000 1.249 114 I HN 0.526 nan 8.210 nan 0.000 0.429 115 L N 8.433 130.026 121.223 0.616 0.000 2.281 115 L HA 0.456 4.794 4.340 -0.004 0.000 0.285 115 L C -1.173 175.871 176.870 0.289 0.000 1.074 115 L CA 0.044 55.123 54.840 0.397 0.000 0.817 115 L CB 0.813 43.032 42.059 0.267 0.000 1.168 115 L HN 0.473 nan 8.230 nan 0.000 0.434 116 L N 5.156 126.489 121.223 0.183 0.000 2.287 116 L HA 0.507 4.845 4.340 -0.004 0.000 0.287 116 L C -0.035 176.887 176.870 0.086 0.000 1.022 116 L CA -0.437 54.418 54.840 0.025 0.000 0.814 116 L CB 1.472 43.346 42.059 -0.308 0.000 1.217 116 L HN 0.590 nan 8.230 nan 0.000 0.420 117 E N 3.758 123.974 120.200 0.026 0.000 2.197 117 E HA 0.454 4.801 4.350 -0.004 0.000 0.281 117 E C -1.589 174.979 176.600 -0.052 0.000 0.995 117 E CA -0.498 55.798 56.400 -0.173 0.000 0.808 117 E CB 1.134 30.790 29.700 -0.074 0.000 1.093 117 E HN 0.462 nan 8.360 nan 0.000 0.394 118 Y N 1.509 121.634 120.300 -0.291 0.000 2.689 118 Y HA 0.425 4.973 4.550 -0.003 0.000 0.333 118 Y C -0.354 175.458 175.900 -0.148 0.000 1.190 118 Y CA -1.529 56.481 58.100 -0.149 0.000 1.063 118 Y CB 0.569 38.993 38.460 -0.061 0.000 1.294 118 Y HN 0.515 nan 8.280 nan 0.000 0.466 119 N N -0.123 118.599 118.700 0.037 0.000 2.740 119 N HA -0.290 4.448 4.740 -0.004 0.000 0.248 119 N C -1.151 174.338 175.510 -0.036 0.000 1.062 119 N CA 0.959 53.989 53.050 -0.035 0.000 0.704 119 N CB -1.574 36.797 38.487 -0.192 0.000 0.968 119 N HN 0.870 nan 8.380 nan 0.000 0.547 120 Y N 0.046 120.285 120.300 -0.102 0.000 2.526 120 Y HA 0.338 4.886 4.550 -0.004 0.000 0.330 120 Y C 0.026 175.896 175.900 -0.051 0.000 1.156 120 Y CA -0.098 57.938 58.100 -0.107 0.000 1.419 120 Y CB 0.758 39.108 38.460 -0.184 0.000 1.250 120 Y HN -0.009 nan 8.280 nan 0.000 0.540 121 V N 7.793 127.369 119.914 -0.562 0.000 2.447 121 V HA 0.208 4.326 4.120 -0.004 0.000 0.292 121 V C -0.324 175.407 176.094 -0.606 0.000 1.021 121 V CA -1.451 60.581 62.300 -0.446 0.000 0.850 121 V CB 1.282 32.979 31.823 -0.210 0.000 1.005 121 V HN 0.763 nan 8.190 nan 0.000 0.426 122 K N 3.539 123.595 120.400 -0.574 0.000 2.436 122 K HA 0.195 4.513 4.320 -0.004 0.000 0.275 122 K C 0.431 176.877 176.600 -0.257 0.000 0.999 122 K CA 0.272 56.358 56.287 -0.336 0.000 0.980 122 K CB 1.147 33.623 32.500 -0.041 0.000 0.919 122 K HN 0.834 nan 8.250 nan 0.000 0.484 123 Q N 2.820 122.456 119.800 -0.273 0.000 2.729 123 Q HA 0.170 4.508 4.340 -0.004 0.000 0.228 123 Q C 0.019 175.819 176.000 -0.334 0.000 1.021 123 Q CA -0.406 55.062 55.803 -0.559 0.000 0.561 123 Q CB 0.121 28.363 28.738 -0.828 0.000 3.921 123 Q HN 0.738 nan 8.270 nan 0.000 0.430 124 W N 0.168 121.463 121.300 -0.008 0.000 1.756 124 W HA 0.388 5.046 4.660 -0.003 0.000 0.638 124 W C 1.899 178.407 176.519 -0.019 0.000 1.472 124 W CA -0.694 56.676 57.345 0.041 0.000 1.437 124 W CB -0.196 29.271 29.460 0.013 0.000 3.368 124 W HN 0.261 nan 8.180 nan 0.000 0.771 125 R N -0.633 119.958 120.500 0.151 0.000 2.090 125 R HA -0.101 4.237 4.340 -0.004 0.000 0.228 125 R C 1.515 177.631 176.300 -0.308 0.000 1.110 125 R CA 1.893 57.907 56.100 -0.143 0.000 0.973 125 R CB -0.290 29.791 30.300 -0.364 0.000 0.869 125 R HN 0.550 nan 8.270 nan 0.000 0.440 126 H N -1.581 117.568 119.070 0.132 0.000 2.800 126 H HA 0.186 4.740 4.556 -0.004 0.000 0.257 126 H C 0.347 175.763 175.328 0.148 0.000 0.967 126 H CA 0.201 56.345 56.048 0.161 0.000 1.192 126 H CB 0.598 30.429 29.762 0.115 0.000 1.441 126 H HN 0.098 nan 8.280 nan 0.000 0.461 127 S N 1.103 116.787 115.700 -0.026 0.000 2.576 127 S HA 0.338 4.805 4.470 -0.004 0.000 0.276 127 S C -0.517 173.971 174.600 -0.187 0.000 1.339 127 S CA -0.557 57.335 58.200 -0.514 0.000 1.039 127 S CB 0.506 62.893 63.200 -1.355 0.000 0.902 127 S HN 0.451 nan 8.310 nan 0.000 0.516 128 Y N -2.093 118.084 120.300 -0.206 0.000 2.713 128 Y HA 0.728 5.275 4.550 -0.004 0.000 0.335 128 Y C -0.629 175.236 175.900 -0.058 0.000 1.222 128 Y CA -1.026 56.934 58.100 -0.233 0.000 1.061 128 Y CB 0.577 38.833 38.460 -0.340 0.000 1.314 128 Y HN 0.829 nan 8.280 nan 0.000 0.453 129 T N -0.332 114.255 114.554 0.055 0.000 2.942 129 T HA 1.005 5.353 4.350 -0.004 0.000 0.289 129 T C -0.502 174.282 174.700 0.140 0.000 1.044 129 T CA -0.173 61.987 62.100 0.100 0.000 1.023 129 T CB 1.775 70.657 68.868 0.024 0.000 1.123 129 T HN 1.793 nan 8.240 nan 0.000 0.512 130 A N 0.774 123.649 122.820 0.092 0.000 2.564 130 A HA 0.776 5.094 4.320 -0.004 0.000 0.291 130 A C -0.608 176.756 177.584 -0.367 0.000 1.102 130 A CA -0.985 50.959 52.037 -0.156 0.000 0.660 130 A CB 1.047 19.925 19.000 -0.203 0.000 1.283 130 A HN 0.866 nan 8.150 nan 0.000 0.430 131 S N -0.717 114.533 115.700 -0.751 0.000 2.608 131 S HA 0.798 5.266 4.470 -0.004 0.000 0.291 131 S C -1.523 172.370 174.600 -1.177 0.000 1.146 131 S CA -0.084 57.573 58.200 -0.905 0.000 1.043 131 S CB 0.700 63.127 63.200 -1.288 0.000 1.037 131 S HN 0.450 nan 8.310 nan 0.000 0.520 132 Y N 0.166 120.237 120.300 -0.383 0.000 2.457 132 Y HA 0.446 4.994 4.550 -0.004 0.000 0.343 132 Y C -0.273 175.660 175.900 0.056 0.000 0.994 132 Y CA -0.904 57.118 58.100 -0.130 0.000 1.031 132 Y CB 1.665 40.002 38.460 -0.206 0.000 1.246 132 Y HN 0.504 nan 8.280 nan 0.000 0.449 133 D N 2.809 123.415 120.400 0.342 0.000 2.433 133 D HA 0.562 5.200 4.640 -0.004 0.000 0.236 133 D C -0.807 175.633 176.300 0.234 0.000 1.026 133 D CA -0.346 53.829 54.000 0.292 0.000 0.884 133 D CB 2.701 43.751 40.800 0.417 0.000 1.384 133 D HN 0.408 nan 8.370 nan 0.000 0.477 134 I N 1.617 122.317 120.570 0.217 0.000 2.404 134 I HA 0.250 4.417 4.170 -0.004 0.000 0.293 134 I C -0.852 175.487 176.117 0.370 0.000 0.992 134 I CA -0.962 60.507 61.300 0.282 0.000 1.149 134 I CB 1.434 39.552 38.000 0.197 0.000 1.315 134 I HN 0.230 nan 8.210 nan 0.000 0.446 135 Y N 5.337 125.819 120.300 0.303 0.000 2.352 135 Y HA 0.320 4.868 4.550 -0.004 0.000 0.339 135 Y C -0.358 175.730 175.900 0.312 0.000 0.992 135 Y CA -0.733 57.544 58.100 0.295 0.000 1.100 135 Y CB 1.228 39.882 38.460 0.323 0.000 1.192 135 Y HN 0.490 nan 8.280 nan 0.000 0.458 136 D N 6.344 126.633 120.400 -0.186 0.000 2.339 136 D HA 0.112 4.750 4.640 -0.004 0.000 0.241 136 D C 0.537 176.538 176.300 -0.497 0.000 1.183 136 D CA 0.217 54.066 54.000 -0.252 0.000 0.859 136 D CB 1.019 41.734 40.800 -0.141 0.000 1.067 136 D HN 0.873 nan 8.370 nan 0.000 0.484 137 L N 3.631 124.653 121.223 -0.334 0.000 2.109 137 L HA -0.088 4.250 4.340 -0.004 0.000 0.207 137 L C 2.180 178.910 176.870 -0.232 0.000 1.086 137 L CA 0.415 55.141 54.840 -0.189 0.000 0.760 137 L CB -0.267 41.710 42.059 -0.137 0.000 0.910 137 L HN 0.399 nan 8.230 nan 0.000 0.437 138 N N 1.242 119.771 118.700 -0.284 0.000 2.084 138 N HA -0.190 4.548 4.740 -0.004 0.000 0.190 138 N C 1.611 177.011 175.510 -0.183 0.000 1.030 138 N CA 1.613 54.534 53.050 -0.215 0.000 0.849 138 N CB -0.125 38.231 38.487 -0.219 0.000 1.012 138 N HN 0.485 nan 8.380 nan 0.000 0.423 139 K N 0.956 121.230 120.400 -0.209 0.000 2.404 139 K HA 0.182 4.500 4.320 -0.004 0.000 0.194 139 K C -0.312 176.167 176.600 -0.201 0.000 1.023 139 K CA -0.172 56.015 56.287 -0.167 0.000 1.094 139 K CB 0.359 32.780 32.500 -0.132 0.000 0.841 139 K HN -0.085 nan 8.250 nan 0.000 0.523 140 R N 1.254 121.575 120.500 -0.299 0.000 3.059 140 R HA -0.198 4.140 4.340 -0.004 0.000 0.251 140 R C -1.129 174.969 176.300 -0.337 0.000 0.886 140 R CA 0.643 56.560 56.100 -0.305 0.000 0.634 140 R CB -1.768 28.499 30.300 -0.055 0.000 1.282 140 R HN 0.622 nan 8.270 nan 0.000 0.487 141 Q N 0.650 120.020 119.800 -0.716 0.000 2.403 141 Q HA 0.326 4.664 4.340 -0.004 0.000 0.267 141 Q C -0.869 174.984 176.000 -0.245 0.000 0.991 141 Q CA -0.793 54.843 55.803 -0.278 0.000 0.906 141 Q CB 1.681 30.333 28.738 -0.143 0.000 1.422 141 Q HN 0.292 nan 8.270 nan 0.000 0.400 142 L N 3.965 125.281 121.223 0.154 0.000 2.490 142 L HA 0.215 4.553 4.340 -0.004 0.000 0.274 142 L C -0.023 176.928 176.870 0.135 0.000 1.201 142 L CA 0.223 55.225 54.840 0.270 0.000 0.869 142 L CB 0.358 42.627 42.059 0.350 0.000 1.123 142 L HN 0.587 nan 8.230 nan 0.000 0.484 143 I N 2.770 123.426 120.570 0.145 0.000 2.352 143 I HA 0.022 4.190 4.170 -0.004 0.000 0.290 143 I C 1.158 177.321 176.117 0.077 0.000 1.036 143 I CA 0.033 61.389 61.300 0.094 0.000 1.336 143 I CB 1.335 39.393 38.000 0.095 0.000 1.407 143 I HN 0.691 nan 8.210 nan 0.000 0.497 144 T N 0.739 115.321 114.554 0.046 0.000 3.054 144 T HA 0.257 4.605 4.350 -0.004 0.000 0.255 144 T C 0.478 175.178 174.700 0.001 0.000 1.035 144 T CA -0.233 61.884 62.100 0.028 0.000 0.941 144 T CB -0.020 68.862 68.868 0.023 0.000 1.026 144 T HN 0.493 nan 8.240 nan 0.000 0.533 145 E N 1.825 122.021 120.200 -0.006 0.000 2.191 145 E HA 0.348 4.696 4.350 -0.004 0.000 0.274 145 E C -0.499 176.073 176.600 -0.047 0.000 0.948 145 E CA -0.829 55.556 56.400 -0.026 0.000 0.802 145 E CB 0.798 30.487 29.700 -0.019 0.000 1.137 145 E HN 0.108 nan 8.360 nan 0.000 0.397 146 E N 1.678 121.837 120.200 -0.069 0.000 2.271 146 E HA -0.231 4.117 4.350 -0.004 0.000 0.223 146 E C -0.672 175.854 176.600 -0.123 0.000 1.223 146 E CA 0.689 57.029 56.400 -0.099 0.000 0.704 146 E CB -1.158 28.490 29.700 -0.087 0.000 1.194 146 E HN 0.511 nan 8.360 nan 0.000 0.375 147 R N -0.185 120.236 120.500 -0.130 0.000 2.641 147 R HA 0.306 4.644 4.340 -0.004 0.000 0.269 147 R C 1.194 177.332 176.300 -0.270 0.000 1.074 147 R CA -0.458 55.553 56.100 -0.149 0.000 1.133 147 R CB 0.504 30.742 30.300 -0.103 0.000 1.029 147 R HN 0.142 nan 8.270 nan 0.000 0.488 148 I N 4.290 124.663 120.570 -0.329 0.000 2.710 148 I HA -0.022 4.146 4.170 -0.004 0.000 0.286 148 I C -1.634 174.188 176.117 -0.492 0.000 1.181 148 I CA -1.310 59.636 61.300 -0.589 0.000 1.430 148 I CB 0.317 37.959 38.000 -0.598 0.000 1.367 148 I HN 0.299 nan 8.210 nan 0.000 0.577 149 P HA 0.101 nan 4.420 nan 0.000 0.272 149 P C -0.916 176.201 177.300 -0.305 0.000 1.230 149 P CA -0.415 62.335 63.100 -0.584 0.000 0.788 149 P CB 0.367 31.353 31.700 -1.190 0.000 0.949 150 N N 2.009 120.608 118.700 -0.168 0.000 2.415 150 N HA -0.002 4.735 4.740 -0.004 0.000 0.248 150 N C 0.639 176.219 175.510 0.116 0.000 1.271 150 N CA 0.297 53.308 53.050 -0.065 0.000 0.913 150 N CB -0.474 37.982 38.487 -0.052 0.000 1.129 150 N HN 0.427 nan 8.380 nan 0.000 0.444 151 N N -1.357 117.396 118.700 0.088 0.000 2.747 151 N HA -0.160 4.578 4.740 -0.004 0.000 0.249 151 N C -0.810 174.869 175.510 0.283 0.000 1.107 151 N CA 0.715 53.855 53.050 0.151 0.000 0.707 151 N CB -1.688 36.882 38.487 0.139 0.000 1.054 151 N HN 0.485 nan 8.380 nan 0.000 0.555 152 T N 0.766 115.487 114.554 0.279 0.000 2.919 152 T HA 0.124 4.471 4.350 -0.004 0.000 0.302 152 T C 1.695 176.536 174.700 0.235 0.000 1.031 152 T CA 0.152 62.428 62.100 0.293 0.000 1.127 152 T CB 1.286 70.218 68.868 0.107 0.000 0.952 152 T HN 0.176 nan 8.240 nan 0.000 0.540 153 Q N 1.381 121.310 119.800 0.216 0.000 2.373 153 Q HA 0.187 4.525 4.340 -0.004 0.000 0.210 153 Q C 0.031 176.185 176.000 0.257 0.000 0.913 153 Q CA 0.256 56.198 55.803 0.232 0.000 0.911 153 Q CB 0.915 29.763 28.738 0.184 0.000 1.040 153 Q HN 0.704 nan 8.270 nan 0.000 0.521 154 W N 0.079 121.337 121.300 -0.070 0.000 3.571 154 W HA 0.452 5.110 4.660 -0.003 0.000 0.294 154 W C -2.342 174.085 176.519 -0.153 0.000 1.257 154 W CA -0.596 56.661 57.345 -0.147 0.000 1.206 154 W CB 1.186 30.495 29.460 -0.252 0.000 1.325 154 W HN -0.363 nan 8.180 nan 0.000 0.546 155 V N 3.556 122.701 119.914 -1.282 0.000 2.760 155 V HA 0.671 4.789 4.120 -0.004 0.000 0.309 155 V C -0.419 175.022 176.094 -1.089 0.000 1.077 155 V CA -0.610 61.100 62.300 -0.983 0.000 0.910 155 V CB 1.813 32.999 31.823 -1.061 0.000 1.008 155 V HN 0.488 nan 8.190 nan 0.000 0.424 156 T N 2.899 117.159 114.554 -0.490 0.000 2.993 156 T HA 0.513 4.861 4.350 -0.004 0.000 0.312 156 T C -1.223 173.497 174.700 0.033 0.000 1.115 156 T CA -0.329 61.677 62.100 -0.156 0.000 1.027 156 T CB 0.760 69.781 68.868 0.255 0.000 1.116 156 T HN 0.508 nan 8.240 nan 0.000 0.464 157 W N 3.400 124.736 121.300 0.060 0.000 2.123 157 W HA 0.372 5.030 4.660 -0.004 0.000 0.351 157 W C 1.392 177.784 176.519 -0.211 0.000 1.292 157 W CA -0.464 56.869 57.345 -0.019 0.000 1.263 157 W CB 0.475 29.922 29.460 -0.022 0.000 1.165 157 W HN 0.818 nan 8.180 nan 0.000 0.590 158 S N 1.526 116.985 115.700 -0.402 0.000 2.580 158 S HA 0.061 4.529 4.470 -0.004 0.000 0.266 158 S C -1.784 172.581 174.600 -0.391 0.000 1.354 158 S CA -0.863 56.642 58.200 -1.159 0.000 1.008 158 S CB 0.610 63.045 63.200 -1.275 0.000 0.898 158 S HN 0.307 nan 8.310 nan 0.000 0.555 159 P HA 0.188 nan 4.420 nan 0.000 0.229 159 P C -0.280 176.976 177.300 -0.074 0.000 1.160 159 P CA 0.373 63.432 63.100 -0.068 0.000 0.777 159 P CB 0.142 31.843 31.700 0.002 0.000 0.814 160 V N -1.604 118.221 119.914 -0.148 0.000 2.876 160 V HA 0.675 4.793 4.120 -0.004 0.000 0.312 160 V C 0.754 176.739 176.094 -0.181 0.000 1.085 160 V CA 0.079 62.305 62.300 -0.123 0.000 0.945 160 V CB 1.114 32.876 31.823 -0.101 0.000 1.017 160 V HN 0.404 nan 8.190 nan 0.000 0.428 161 G N 2.873 111.580 108.800 -0.156 0.000 2.509 161 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.259 161 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.259 161 G C 0.120 174.916 174.900 -0.172 0.000 1.169 161 G CA 0.585 45.549 45.100 -0.227 0.000 0.953 161 G HN 1.846 nan 8.290 nan 0.000 0.563 162 H N -0.579 118.478 119.070 -0.022 0.000 3.064 162 H HA 0.439 4.993 4.556 -0.003 0.000 0.232 162 H C 0.219 175.680 175.328 0.222 0.000 1.308 162 H CA -0.199 55.892 56.048 0.073 0.000 1.010 162 H CB -0.163 29.647 29.762 0.080 0.000 2.408 162 H HN 0.496 nan 8.280 nan 0.000 0.599 163 K N 1.649 122.110 120.400 0.101 0.000 2.202 163 K HA 0.490 4.808 4.320 -0.004 0.000 0.264 163 K C -0.468 176.253 176.600 0.201 0.000 1.010 163 K CA -0.364 55.980 56.287 0.095 0.000 0.940 163 K CB 1.633 34.042 32.500 -0.151 0.000 0.983 163 K HN 0.151 nan 8.250 nan 0.000 0.475 164 L N 1.178 122.542 121.223 0.235 0.000 2.381 164 L HA 0.565 4.903 4.340 -0.004 0.000 0.268 164 L C -0.889 176.192 176.870 0.352 0.000 0.997 164 L CA -0.852 54.087 54.840 0.165 0.000 0.818 164 L CB 2.156 44.150 42.059 -0.109 0.000 1.310 164 L HN 0.689 nan 8.230 nan 0.000 0.416 165 A N 2.347 125.379 122.820 0.353 0.000 2.342 165 A HA 0.846 5.164 4.320 -0.004 0.000 0.323 165 A C -1.497 176.115 177.584 0.048 0.000 1.125 165 A CA -0.367 51.735 52.037 0.108 0.000 0.785 165 A CB 1.091 20.047 19.000 -0.074 0.000 1.221 165 A HN 0.662 nan 8.150 nan 0.000 0.463 166 Y N -0.770 119.487 120.300 -0.072 0.000 2.615 166 Y HA 0.774 5.322 4.550 -0.003 0.000 0.341 166 Y C -1.164 174.747 175.900 0.018 0.000 1.089 166 Y CA -1.557 56.481 58.100 -0.104 0.000 1.049 166 Y CB 1.200 39.534 38.460 -0.209 0.000 1.296 166 Y HN 0.388 nan 8.280 nan 0.000 0.470 167 V N 1.840 121.902 119.914 0.248 0.000 2.448 167 V HA 0.382 4.500 4.120 -0.004 0.000 0.295 167 V C -1.530 174.785 176.094 0.369 0.000 1.025 167 V CA -0.639 61.776 62.300 0.192 0.000 0.859 167 V CB 1.380 33.224 31.823 0.035 0.000 0.988 167 V HN 0.874 nan 8.190 nan 0.000 0.431 168 W N 5.051 126.461 121.300 0.183 0.000 3.211 168 W HA 0.458 5.116 4.660 -0.004 0.000 0.335 168 W C 0.212 176.791 176.519 0.099 0.000 1.113 168 W CA -0.653 56.768 57.345 0.127 0.000 1.235 168 W CB 1.247 30.762 29.460 0.092 0.000 1.365 168 W HN 0.781 nan 8.180 nan 0.000 0.476 169 N N 5.751 124.098 118.700 -0.587 0.000 2.727 169 N HA -0.353 4.385 4.740 -0.004 0.000 0.249 169 N C 0.237 175.586 175.510 -0.267 0.000 1.048 169 N CA 1.056 53.763 53.050 -0.573 0.000 0.714 169 N CB -1.032 36.883 38.487 -0.953 0.000 0.959 169 N HN 0.835 nan 8.380 nan 0.000 0.544 170 N N -2.080 116.523 118.700 -0.161 0.000 2.909 170 N HA -0.168 4.570 4.740 -0.004 0.000 0.242 170 N C -1.245 174.184 175.510 -0.136 0.000 0.975 170 N CA 1.197 54.168 53.050 -0.131 0.000 0.921 170 N CB -0.371 37.998 38.487 -0.196 0.000 1.112 170 N HN 0.450 nan 8.380 nan 0.000 0.581 171 D N 0.600 120.924 120.400 -0.127 0.000 2.340 171 D HA 0.487 5.124 4.640 -0.004 0.000 0.240 171 D C 0.267 176.377 176.300 -0.315 0.000 1.001 171 D CA -0.370 53.468 54.000 -0.271 0.000 0.888 171 D CB 1.651 42.219 40.800 -0.386 0.000 1.310 171 D HN 0.033 nan 8.370 nan 0.000 0.474 172 I N 1.533 121.767 120.570 -0.561 0.000 2.396 172 I HA 0.211 4.378 4.170 -0.004 0.000 0.292 172 I C -0.645 174.967 176.117 -0.841 0.000 0.999 172 I CA -0.368 60.586 61.300 -0.577 0.000 1.310 172 I CB 0.510 38.098 38.000 -0.687 0.000 1.404 172 I HN 0.158 nan 8.210 nan 0.000 0.496 173 Y N 4.010 123.940 120.300 -0.616 0.000 2.512 173 Y HA 0.623 5.171 4.550 -0.003 0.000 0.348 173 Y C -0.374 175.162 175.900 -0.607 0.000 0.990 173 Y CA -0.913 56.764 58.100 -0.705 0.000 1.033 173 Y CB 2.069 39.829 38.460 -1.165 0.000 1.259 173 Y HN 0.110 nan 8.280 nan 0.000 0.461 174 V N 3.021 122.845 119.914 -0.149 0.000 2.588 174 V HA 0.464 4.582 4.120 -0.004 0.000 0.304 174 V C -0.833 175.369 176.094 0.180 0.000 1.042 174 V CA -1.389 60.932 62.300 0.034 0.000 0.877 174 V CB 1.986 33.863 31.823 0.089 0.000 0.996 174 V HN 0.624 nan 8.190 nan 0.000 0.425 175 K N 4.276 124.796 120.400 0.200 0.000 2.358 175 K HA 0.505 4.822 4.320 -0.004 0.000 0.260 175 K C 0.243 176.982 176.600 0.232 0.000 0.956 175 K CA -0.771 55.633 56.287 0.196 0.000 0.834 175 K CB 1.974 34.546 32.500 0.120 0.000 1.102 175 K HN 0.406 nan 8.250 nan 0.000 0.431 176 I N 1.130 121.862 120.570 0.269 0.000 2.333 176 I HA -0.056 4.111 4.170 -0.004 0.000 0.246 176 I C 0.458 176.703 176.117 0.212 0.000 1.106 176 I CA 1.437 62.873 61.300 0.226 0.000 1.411 176 I CB -0.243 37.900 38.000 0.237 0.000 1.082 176 I HN 0.557 nan 8.210 nan 0.000 0.420 177 E N 0.061 120.361 120.200 0.166 0.000 2.222 177 E HA 0.286 4.633 4.350 -0.004 0.000 0.267 177 E C -1.871 174.713 176.600 -0.027 0.000 0.884 177 E CA -2.066 54.391 56.400 0.094 0.000 0.764 177 E CB 1.775 31.522 29.700 0.079 0.000 1.169 177 E HN -0.116 nan 8.360 nan 0.000 0.413 178 P HA -0.133 nan 4.420 nan 0.000 0.218 178 P C 0.811 178.031 177.300 -0.133 0.000 1.149 178 P CA 1.165 64.127 63.100 -0.230 0.000 0.817 178 P CB 0.326 31.690 31.700 -0.559 0.000 0.785 179 N N -1.091 117.549 118.700 -0.099 0.000 2.353 179 N HA -0.001 4.737 4.740 -0.004 0.000 0.185 179 N C 0.410 175.897 175.510 -0.038 0.000 1.098 179 N CA 0.349 53.372 53.050 -0.046 0.000 0.872 179 N CB -0.244 38.236 38.487 -0.012 0.000 0.970 179 N HN 0.195 nan 8.380 nan 0.000 0.467 180 L N 0.638 121.840 121.223 -0.036 0.000 2.387 180 L HA 0.488 4.826 4.340 -0.004 0.000 0.266 180 L C -2.263 174.560 176.870 -0.079 0.000 1.059 180 L CA -2.201 52.616 54.840 -0.038 0.000 0.801 180 L CB 1.063 43.121 42.059 -0.002 0.000 1.223 180 L HN -0.210 nan 8.230 nan 0.000 0.456 181 P HA 0.063 nan 4.420 nan 0.000 0.269 181 P C -0.821 176.307 177.300 -0.287 0.000 1.215 181 P CA -0.112 62.876 63.100 -0.186 0.000 0.780 181 P CB 0.594 32.175 31.700 -0.199 0.000 0.898 182 S N 1.072 116.649 115.700 -0.204 0.000 2.585 182 S HA 0.223 4.691 4.470 -0.004 0.000 0.273 182 S C -0.477 173.936 174.600 -0.312 0.000 1.339 182 S CA 0.042 58.148 58.200 -0.156 0.000 1.028 182 S CB -0.190 63.008 63.200 -0.002 0.000 0.906 182 S HN 0.245 nan 8.310 nan 0.000 0.528 183 Y N 1.069 121.392 120.300 0.037 0.000 2.335 183 Y HA 0.394 4.942 4.550 -0.004 0.000 0.339 183 Y C 0.641 176.480 175.900 -0.102 0.000 0.987 183 Y CA -0.692 57.413 58.100 0.008 0.000 1.140 183 Y CB 0.729 39.193 38.460 0.006 0.000 1.173 183 Y HN 0.504 nan 8.280 nan 0.000 0.486 184 R N 3.121 123.582 120.500 -0.066 0.000 2.438 184 R HA 0.223 4.560 4.340 -0.004 0.000 0.287 184 R C 0.110 176.082 176.300 -0.547 0.000 1.077 184 R CA 0.007 55.740 56.100 -0.613 0.000 1.034 184 R CB 0.401 30.202 30.300 -0.831 0.000 0.993 184 R HN 0.757 nan 8.270 nan 0.000 0.459 185 I N 1.802 121.952 120.570 -0.699 0.000 3.445 185 I HA 0.017 4.185 4.170 -0.004 0.000 0.288 185 I C 0.910 176.814 176.117 -0.355 0.000 1.198 185 I CA 0.811 61.872 61.300 -0.399 0.000 1.417 185 I CB -0.330 37.414 38.000 -0.427 0.000 1.205 185 I HN 0.673 nan 8.210 nan 0.000 0.448 186 T N -3.711 110.465 114.554 -0.629 0.000 2.907 186 T HA 0.378 4.726 4.350 -0.004 0.000 0.292 186 T C -0.110 174.295 174.700 -0.492 0.000 1.043 186 T CA -0.515 61.368 62.100 -0.361 0.000 1.003 186 T CB 2.148 70.790 68.868 -0.377 0.000 1.084 186 T HN 0.217 nan 8.240 nan 0.000 0.483 187 W N 0.874 122.070 121.300 -0.174 0.000 2.714 187 W HA 0.118 4.776 4.660 -0.004 0.000 0.353 187 W C 1.451 177.917 176.519 -0.088 0.000 0.999 187 W CA 0.036 57.314 57.345 -0.112 0.000 1.629 187 W CB 0.570 29.984 29.460 -0.078 0.000 1.106 187 W HN 0.952 nan 8.180 nan 0.000 0.545 188 T N -2.501 112.091 114.554 0.063 0.000 3.060 188 T HA 0.183 4.531 4.350 -0.004 0.000 0.249 188 T C 1.191 175.881 174.700 -0.016 0.000 1.079 188 T CA 0.158 62.279 62.100 0.035 0.000 1.013 188 T CB 0.169 69.055 68.868 0.031 0.000 0.975 188 T HN -0.058 nan 8.240 nan 0.000 0.518 189 G N 1.145 109.903 108.800 -0.069 0.000 2.414 189 G HA2 0.391 4.348 3.960 -0.004 0.000 0.236 189 G HA3 0.391 4.348 3.960 -0.004 0.000 0.236 189 G C -0.660 174.174 174.900 -0.110 0.000 1.293 189 G CA -0.445 44.591 45.100 -0.107 0.000 0.869 189 G HN 0.542 nan 8.290 nan 0.000 0.556 190 K N 1.558 121.870 120.400 -0.146 0.000 2.589 190 K HA 0.141 4.459 4.320 -0.004 0.000 0.253 190 K C -0.354 176.126 176.600 -0.200 0.000 0.974 190 K CA -0.629 55.577 56.287 -0.135 0.000 0.835 190 K CB 1.652 34.107 32.500 -0.074 0.000 1.272 190 K HN 0.642 nan 8.250 nan 0.000 0.444 191 E N 2.940 123.031 120.200 -0.181 0.000 2.608 191 E HA -0.146 4.202 4.350 -0.004 0.000 0.259 191 E C -0.507 175.999 176.600 -0.158 0.000 0.951 191 E CA 1.057 57.345 56.400 -0.187 0.000 0.945 191 E CB 0.282 29.907 29.700 -0.125 0.000 0.916 191 E HN 0.631 nan 8.360 nan 0.000 0.477 192 D N 2.396 122.684 120.400 -0.188 0.000 3.059 192 D HA -0.241 4.397 4.640 -0.004 0.000 0.213 192 D C 0.510 176.830 176.300 0.033 0.000 1.144 192 D CA 1.338 55.338 54.000 -0.001 0.000 0.975 192 D CB -0.453 40.391 40.800 0.073 0.000 1.125 192 D HN 0.411 nan 8.370 nan 0.000 0.412 193 I N -1.096 119.404 120.570 -0.117 0.000 3.669 193 I HA 0.094 4.262 4.170 -0.004 0.000 0.255 193 I C 0.698 176.856 176.117 0.070 0.000 1.144 193 I CA 0.360 61.680 61.300 0.034 0.000 1.447 193 I CB 0.209 38.218 38.000 0.015 0.000 1.622 193 I HN -0.140 nan 8.210 nan 0.000 0.435 194 I N 2.017 122.548 120.570 -0.066 0.000 2.355 194 I HA 0.252 4.420 4.170 -0.004 0.000 0.288 194 I C -1.244 174.830 176.117 -0.071 0.000 0.999 194 I CA -0.514 60.808 61.300 0.036 0.000 1.163 194 I CB 0.760 38.778 38.000 0.031 0.000 1.316 194 I HN 0.045 nan 8.210 nan 0.000 0.454 195 Y N 4.739 125.125 120.300 0.142 0.000 2.356 195 Y HA 0.377 4.924 4.550 -0.004 0.000 0.334 195 Y C 0.485 176.438 175.900 0.088 0.000 0.958 195 Y CA -0.753 57.432 58.100 0.141 0.000 1.196 195 Y CB 0.801 39.425 38.460 0.273 0.000 1.137 195 Y HN 0.416 nan 8.280 nan 0.000 0.485 196 N N 2.249 120.998 118.700 0.081 0.000 2.425 196 N HA 0.328 5.065 4.740 -0.004 0.000 0.268 196 N C 0.905 176.342 175.510 -0.123 0.000 0.991 196 N CA 0.492 53.520 53.050 -0.037 0.000 0.931 196 N CB 1.834 40.200 38.487 -0.202 0.000 1.130 196 N HN 0.983 nan 8.380 nan 0.000 0.493 197 G N 1.557 110.295 108.800 -0.104 0.000 2.184 197 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.264 197 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.264 197 G C 0.121 174.854 174.900 -0.279 0.000 0.975 197 G CA 0.745 45.710 45.100 -0.225 0.000 0.642 197 G HN 0.670 nan 8.290 nan 0.000 0.536 198 I N -1.803 118.676 120.570 -0.152 0.000 2.828 198 I HA 0.798 4.966 4.170 -0.004 0.000 0.302 198 I C 0.376 176.511 176.117 0.031 0.000 1.101 198 I CA -0.698 60.425 61.300 -0.295 0.000 1.031 198 I CB 1.967 39.620 38.000 -0.580 0.000 1.231 198 I HN 0.154 nan 8.210 nan 0.000 0.427 199 T N -0.349 114.146 114.554 -0.099 0.000 2.882 199 T HA 0.305 4.653 4.350 -0.004 0.000 0.287 199 T C -0.076 174.413 174.700 -0.351 0.000 1.014 199 T CA -0.639 61.265 62.100 -0.327 0.000 1.049 199 T CB 1.125 69.880 68.868 -0.188 0.000 1.001 199 T HN 0.775 nan 8.240 nan 0.000 0.525 200 D N 0.329 120.264 120.400 -0.775 0.000 2.414 200 D HA -0.007 4.631 4.640 -0.004 0.000 0.259 200 D C 0.972 177.202 176.300 -0.118 0.000 1.269 200 D CA -1.016 52.567 54.000 -0.696 0.000 1.028 200 D CB 0.091 40.432 40.800 -0.765 0.000 1.093 200 D HN 0.722 nan 8.370 nan 0.000 0.545 201 W N 0.103 121.355 121.300 -0.081 0.000 2.335 201 W HA -0.186 4.471 4.660 -0.004 0.000 0.311 201 W C 2.114 178.552 176.519 -0.135 0.000 1.213 201 W CA 2.152 59.457 57.345 -0.066 0.000 1.274 201 W CB -0.408 28.964 29.460 -0.146 0.000 1.148 201 W HN 0.186 nan 8.180 nan 0.000 0.498 202 V N -0.200 119.785 119.914 0.119 0.000 2.591 202 V HA -0.245 3.873 4.120 -0.004 0.000 0.249 202 V C 1.799 177.739 176.094 -0.255 0.000 1.053 202 V CA 1.797 64.060 62.300 -0.061 0.000 1.068 202 V CB -0.679 31.124 31.823 -0.033 0.000 0.689 202 V HN 0.281 nan 8.190 nan 0.000 0.462 203 Y N 0.731 120.872 120.300 -0.266 0.000 2.263 203 Y HA -0.152 4.396 4.550 -0.004 0.000 0.292 203 Y C 2.561 178.365 175.900 -0.161 0.000 1.130 203 Y CA 2.044 59.996 58.100 -0.247 0.000 1.179 203 Y CB -0.041 38.170 38.460 -0.415 0.000 0.998 203 Y HN 0.401 nan 8.280 nan 0.000 0.532 204 E N 0.431 120.596 120.200 -0.057 0.000 2.051 204 E HA -0.291 4.057 4.350 -0.004 0.000 0.192 204 E C 2.001 178.541 176.600 -0.099 0.000 0.991 204 E CA 1.617 58.002 56.400 -0.025 0.000 0.799 204 E CB -0.012 29.686 29.700 -0.005 0.000 0.748 204 E HN 0.393 nan 8.360 nan 0.000 0.449 205 E N 0.175 120.135 120.200 -0.400 0.000 2.051 205 E HA -0.134 4.214 4.350 -0.004 0.000 0.189 205 E C 1.605 178.079 176.600 -0.209 0.000 0.979 205 E CA 1.454 57.608 56.400 -0.410 0.000 0.803 205 E CB 0.193 29.312 29.700 -0.967 0.000 0.761 205 E HN 0.236 nan 8.360 nan 0.000 0.451 206 E N -0.659 119.396 120.200 -0.242 0.000 2.447 206 E HA 0.062 4.410 4.350 -0.004 0.000 0.204 206 E C 1.646 178.106 176.600 -0.232 0.000 0.977 206 E CA 0.682 56.983 56.400 -0.166 0.000 0.950 206 E CB 1.216 30.817 29.700 -0.164 0.000 0.975 206 E HN 0.284 nan 8.360 nan 0.000 0.496 207 V N -1.565 118.166 119.914 -0.304 0.000 2.996 207 V HA 0.134 4.252 4.120 -0.004 0.000 0.235 207 V C 1.153 176.982 176.094 -0.442 0.000 1.205 207 V CA 0.368 62.404 62.300 -0.440 0.000 1.225 207 V CB -0.139 31.276 31.823 -0.679 0.000 0.995 207 V HN -0.018 nan 8.190 nan 0.000 0.484 208 F N 1.399 121.362 119.950 0.022 0.000 2.714 208 F HA 0.457 4.982 4.527 -0.004 0.000 0.294 208 F C 1.672 177.437 175.800 -0.058 0.000 1.120 208 F CA 0.652 58.675 58.000 0.040 0.000 1.398 208 F CB -0.137 38.925 39.000 0.103 0.000 1.120 208 F HN 0.192 nan 8.300 nan 0.000 0.589 209 S N 0.384 116.096 115.700 0.020 0.000 3.581 209 S HA 0.000 4.468 4.470 -0.004 0.000 0.354 209 S C 0.016 174.248 174.600 -0.613 0.000 1.059 209 S CA 0.426 58.516 58.200 -0.183 0.000 1.060 209 S CB -1.650 61.494 63.200 -0.093 0.000 0.908 209 S HN 0.665 nan 8.310 nan 0.000 0.475 210 A N -0.649 122.000 122.820 -0.285 0.000 2.599 210 A HA 0.674 4.992 4.320 -0.004 0.000 0.294 210 A C -0.318 177.245 177.584 -0.035 0.000 1.055 210 A CA -0.467 51.415 52.037 -0.258 0.000 0.683 210 A CB 0.277 19.151 19.000 -0.209 0.000 1.278 210 A HN 0.305 nan 8.150 nan 0.000 0.412 211 Y N 1.356 121.516 120.300 -0.234 0.000 2.420 211 Y HA 0.190 4.738 4.550 -0.004 0.000 0.292 211 Y C 1.566 177.179 175.900 -0.479 0.000 1.119 211 Y CA 1.115 59.068 58.100 -0.245 0.000 1.229 211 Y CB 0.030 38.386 38.460 -0.174 0.000 1.026 211 Y HN 0.678 nan 8.280 nan 0.000 0.554 212 S N 0.450 115.644 115.700 -0.842 0.000 2.564 212 S HA 0.477 4.945 4.470 -0.004 0.000 0.278 212 S C 0.207 174.267 174.600 -0.899 0.000 1.333 212 S CA 0.122 57.574 58.200 -1.247 0.000 1.048 212 S CB 0.490 62.667 63.200 -1.705 0.000 0.900 212 S HN 0.401 nan 8.310 nan 0.000 0.505 213 A N 5.645 127.936 122.820 -0.883 0.000 3.176 213 A HA 0.516 4.834 4.320 -0.004 0.000 0.265 213 A C -0.640 176.223 177.584 -1.202 0.000 0.936 213 A CA -0.480 50.921 52.037 -1.059 0.000 1.033 213 A CB -0.017 18.790 19.000 -0.321 0.000 1.158 213 A HN 0.717 nan 8.150 nan 0.000 0.485 214 L N 0.480 120.908 121.223 -1.325 0.000 2.386 214 L HA 0.615 4.952 4.340 -0.004 0.000 0.271 214 L C -1.183 175.195 176.870 -0.820 0.000 0.993 214 L CA -0.549 53.831 54.840 -0.767 0.000 0.819 214 L CB 2.004 43.819 42.059 -0.406 0.000 1.294 214 L HN 0.490 nan 8.230 nan 0.000 0.414 215 W N 2.492 123.819 121.300 0.045 0.000 2.591 215 W HA 0.219 4.877 4.660 -0.003 0.000 0.311 215 W C -1.059 175.667 176.519 0.345 0.000 1.003 215 W CA -1.060 56.431 57.345 0.243 0.000 1.332 215 W CB 1.254 30.909 29.460 0.324 0.000 1.272 215 W HN 0.488 nan 8.180 nan 0.000 0.412 216 W N 2.428 123.930 121.300 0.338 0.000 2.158 216 W HA 0.197 4.854 4.660 -0.004 0.000 0.339 216 W C 1.392 177.763 176.519 -0.248 0.000 1.294 216 W CA 0.465 57.880 57.345 0.116 0.000 1.231 216 W CB 0.779 30.279 29.460 0.067 0.000 1.143 216 W HN 0.194 nan 8.180 nan 0.000 0.571 217 S N 2.484 117.953 115.700 -0.383 0.000 2.600 217 S HA 0.178 4.645 4.470 -0.004 0.000 0.265 217 S C -1.746 172.606 174.600 -0.414 0.000 1.325 217 S CA -0.989 56.464 58.200 -1.246 0.000 1.002 217 S CB 1.077 63.499 63.200 -1.296 0.000 0.921 217 S HN 0.285 nan 8.310 nan 0.000 0.554 218 P HA -0.116 nan 4.420 nan 0.000 0.216 218 P C 0.853 178.117 177.300 -0.060 0.000 1.150 218 P CA 1.480 64.539 63.100 -0.069 0.000 0.843 218 P CB -0.208 31.498 31.700 0.009 0.000 0.787 219 N N -1.857 116.792 118.700 -0.084 0.000 2.230 219 N HA 0.131 4.869 4.740 -0.004 0.000 0.202 219 N C 1.053 176.489 175.510 -0.123 0.000 1.119 219 N CA 0.462 53.461 53.050 -0.084 0.000 0.851 219 N CB -0.699 37.753 38.487 -0.059 0.000 0.990 219 N HN 0.142 nan 8.380 nan 0.000 0.497 220 G N -0.955 107.781 108.800 -0.106 0.000 2.143 220 G HA2 -0.319 3.638 3.960 -0.004 0.000 0.249 220 G HA3 -0.319 3.638 3.960 -0.004 0.000 0.249 220 G C 0.872 175.805 174.900 0.054 0.000 0.981 220 G CA 0.708 45.766 45.100 -0.071 0.000 0.665 220 G HN 0.371 nan 8.290 nan 0.000 0.528 221 T N -0.109 114.399 114.554 -0.076 0.000 2.737 221 T HA 0.219 4.566 4.350 -0.004 0.000 0.265 221 T C 0.844 175.408 174.700 -0.227 0.000 1.038 221 T CA 1.296 63.249 62.100 -0.246 0.000 1.144 221 T CB -0.083 68.473 68.868 -0.519 0.000 0.866 221 T HN 0.298 nan 8.240 nan 0.000 0.434 222 F N 0.376 120.363 119.950 0.062 0.000 2.425 222 F HA 0.580 5.104 4.527 -0.004 0.000 0.331 222 F C -0.031 175.834 175.800 0.109 0.000 1.085 222 F CA -1.343 56.725 58.000 0.114 0.000 1.028 222 F CB 1.064 40.203 39.000 0.231 0.000 1.177 222 F HN -0.083 nan 8.300 nan 0.000 0.487 223 L N 2.776 124.151 121.223 0.252 0.000 2.343 223 L HA 0.724 5.062 4.340 -0.004 0.000 0.278 223 L C -0.813 176.153 176.870 0.160 0.000 0.996 223 L CA -0.508 54.321 54.840 -0.018 0.000 0.831 223 L CB 1.034 42.823 42.059 -0.449 0.000 1.232 223 L HN 0.799 nan 8.230 nan 0.000 0.413 224 A N 4.996 127.983 122.820 0.279 0.000 2.295 224 A HA 0.749 5.067 4.320 -0.004 0.000 0.318 224 A C -1.342 176.319 177.584 0.130 0.000 1.134 224 A CA -0.291 51.796 52.037 0.083 0.000 0.827 224 A CB 0.961 20.081 19.000 0.200 0.000 1.136 224 A HN 0.740 nan 8.150 nan 0.000 0.493 225 Y N -2.062 118.044 120.300 -0.323 0.000 2.592 225 Y HA 0.718 5.266 4.550 -0.004 0.000 0.334 225 Y C -0.362 175.379 175.900 -0.265 0.000 1.136 225 Y CA -0.872 57.115 58.100 -0.189 0.000 1.042 225 Y CB 0.766 39.085 38.460 -0.236 0.000 1.325 225 Y HN 0.931 nan 8.280 nan 0.000 0.457 226 A N 2.385 125.256 122.820 0.085 0.000 2.306 226 A HA 0.674 4.992 4.320 -0.004 0.000 0.330 226 A C -1.032 176.415 177.584 -0.228 0.000 1.146 226 A CA -0.796 51.156 52.037 -0.141 0.000 0.827 226 A CB 1.572 20.444 19.000 -0.214 0.000 1.178 226 A HN 0.821 nan 8.150 nan 0.000 0.490 227 Q N 1.163 120.757 119.800 -0.343 0.000 2.310 227 Q HA 0.585 4.922 4.340 -0.004 0.000 0.270 227 Q C -2.070 173.679 176.000 -0.419 0.000 1.025 227 Q CA -0.369 55.325 55.803 -0.181 0.000 0.772 227 Q CB 0.968 29.824 28.738 0.197 0.000 1.253 227 Q HN 0.583 nan 8.270 nan 0.000 0.450 228 F N 2.402 122.447 119.950 0.159 0.000 2.443 228 F HA 0.407 4.932 4.527 -0.004 0.000 0.335 228 F C 0.454 176.405 175.800 0.251 0.000 1.104 228 F CA -0.917 57.163 58.000 0.134 0.000 1.013 228 F CB 1.280 40.278 39.000 -0.004 0.000 1.136 228 F HN 0.449 nan 8.300 nan 0.000 0.470 229 N N 2.105 121.019 118.700 0.356 0.000 2.518 229 N HA 0.200 4.938 4.740 -0.004 0.000 0.254 229 N C -0.835 174.848 175.510 0.289 0.000 0.979 229 N CA -0.325 52.897 53.050 0.287 0.000 0.930 229 N CB 0.855 39.459 38.487 0.194 0.000 1.152 229 N HN 0.536 nan 8.380 nan 0.000 0.505 230 D N 1.430 122.025 120.400 0.326 0.000 2.395 230 D HA 0.117 4.755 4.640 -0.004 0.000 0.226 230 D C 1.202 177.621 176.300 0.199 0.000 1.146 230 D CA 0.166 54.336 54.000 0.283 0.000 0.830 230 D CB 0.501 41.529 40.800 0.380 0.000 0.958 230 D HN 0.456 nan 8.370 nan 0.000 0.501 231 T N 0.438 115.089 114.554 0.161 0.000 2.653 231 T HA -0.197 4.151 4.350 -0.004 0.000 0.268 231 T C 1.261 176.019 174.700 0.098 0.000 1.035 231 T CA 1.276 63.444 62.100 0.114 0.000 1.154 231 T CB -0.029 68.895 68.868 0.093 0.000 0.862 231 T HN 0.349 nan 8.240 nan 0.000 0.441 232 E N 0.458 120.716 120.200 0.098 0.000 2.501 232 E HA 0.191 4.539 4.350 -0.004 0.000 0.200 232 E C -0.466 176.185 176.600 0.086 0.000 1.016 232 E CA -0.201 56.246 56.400 0.079 0.000 0.921 232 E CB 0.596 30.335 29.700 0.065 0.000 1.034 232 E HN 0.219 nan 8.360 nan 0.000 0.468 233 V N 3.736 123.716 119.914 0.110 0.000 2.508 233 V HA 0.105 4.223 4.120 -0.004 0.000 0.281 233 V C -1.952 174.204 176.094 0.102 0.000 1.041 233 V CA -1.480 60.890 62.300 0.115 0.000 1.016 233 V CB 0.365 32.277 31.823 0.149 0.000 0.984 233 V HN 0.051 nan 8.190 nan 0.000 0.478 234 P HA 0.253 nan 4.420 nan 0.000 0.272 234 P C -0.744 176.598 177.300 0.071 0.000 1.230 234 P CA -0.292 62.849 63.100 0.070 0.000 0.788 234 P CB 0.503 32.240 31.700 0.063 0.000 0.949 235 L N 1.752 122.995 121.223 0.033 0.000 2.295 235 L HA 0.429 4.767 4.340 -0.004 0.000 0.285 235 L C 0.391 177.221 176.870 -0.067 0.000 1.035 235 L CA -1.021 53.821 54.840 0.003 0.000 0.806 235 L CB 1.000 43.053 42.059 -0.009 0.000 1.214 235 L HN 0.294 nan 8.230 nan 0.000 0.426 236 I N 2.771 123.256 120.570 -0.143 0.000 2.428 236 I HA 0.188 4.356 4.170 -0.004 0.000 0.289 236 I C -0.252 175.731 176.117 -0.224 0.000 1.019 236 I CA 0.321 61.440 61.300 -0.302 0.000 1.351 236 I CB 0.730 38.303 38.000 -0.713 0.000 1.412 236 I HN 0.565 nan 8.210 nan 0.000 0.513 237 E N 7.533 127.619 120.200 -0.189 0.000 2.224 237 E HA 0.464 4.812 4.350 -0.004 0.000 0.265 237 E C -1.763 174.778 176.600 -0.097 0.000 0.878 237 E CA -0.571 55.722 56.400 -0.178 0.000 0.759 237 E CB 1.901 31.522 29.700 -0.131 0.000 1.164 237 E HN 0.569 nan 8.360 nan 0.000 0.414 238 Y N -1.502 118.711 120.300 -0.144 0.000 2.597 238 Y HA 0.573 5.121 4.550 -0.004 0.000 0.340 238 Y C -0.694 175.135 175.900 -0.118 0.000 1.097 238 Y CA -1.263 56.758 58.100 -0.132 0.000 1.037 238 Y CB 0.947 39.333 38.460 -0.124 0.000 1.305 238 Y HN 0.172 nan 8.280 nan 0.000 0.463 239 S N 2.007 117.693 115.700 -0.023 0.000 2.562 239 S HA 0.500 4.968 4.470 -0.004 0.000 0.275 239 S C -1.437 173.003 174.600 -0.266 0.000 1.281 239 S CA -0.415 57.629 58.200 -0.261 0.000 1.045 239 S CB 0.411 63.332 63.200 -0.465 0.000 0.962 239 S HN 0.540 nan 8.310 nan 0.000 0.503 240 F N 2.288 121.974 119.950 -0.440 0.000 2.493 240 F HA 0.441 4.966 4.527 -0.004 0.000 0.329 240 F C -0.267 175.300 175.800 -0.387 0.000 1.126 240 F CA -0.808 57.010 58.000 -0.303 0.000 0.937 240 F CB 0.901 39.858 39.000 -0.072 0.000 1.146 240 F HN 0.668 nan 8.300 nan 0.000 0.442 241 Y N 2.741 122.830 120.300 -0.352 0.000 2.436 241 Y HA 0.143 4.691 4.550 -0.004 0.000 0.288 241 Y C 1.646 177.472 175.900 -0.123 0.000 1.112 241 Y CA 1.035 59.025 58.100 -0.184 0.000 1.220 241 Y CB -0.350 37.989 38.460 -0.201 0.000 1.073 241 Y HN 0.747 nan 8.280 nan 0.000 0.552 242 S N -0.182 115.432 115.700 -0.143 0.000 3.443 242 S HA -0.218 4.250 4.470 -0.004 0.000 0.635 242 S C -0.562 174.083 174.600 0.074 0.000 2.555 242 S CA 0.249 58.507 58.200 0.096 0.000 2.778 242 S CB -1.233 62.130 63.200 0.270 0.000 0.331 242 S HN 0.433 nan 8.310 nan 0.000 1.765 243 D N 1.567 122.029 120.400 0.103 0.000 2.378 243 D HA 0.154 4.792 4.640 -0.004 0.000 0.238 243 D C 1.406 177.738 176.300 0.053 0.000 1.180 243 D CA 0.485 54.527 54.000 0.070 0.000 0.895 243 D CB 0.212 41.055 40.800 0.071 0.000 1.192 243 D HN 0.650 nan 8.370 nan 0.000 0.438 244 E N 0.488 120.708 120.200 0.033 0.000 2.219 244 E HA -0.229 4.118 4.350 -0.004 0.000 0.198 244 E C 1.488 178.100 176.600 0.021 0.000 0.998 244 E CA 1.320 57.731 56.400 0.018 0.000 0.818 244 E CB 0.138 29.843 29.700 0.007 0.000 0.741 244 E HN 0.424 nan 8.360 nan 0.000 0.477 245 S N 0.214 115.932 115.700 0.031 0.000 2.447 245 S HA -0.130 4.338 4.470 -0.004 0.000 0.233 245 S C 0.931 175.555 174.600 0.041 0.000 1.006 245 S CA 0.009 58.228 58.200 0.032 0.000 0.957 245 S CB -0.219 63.002 63.200 0.036 0.000 0.773 245 S HN 0.251 nan 8.310 nan 0.000 0.507 246 L N 2.546 123.803 121.223 0.056 0.000 2.433 246 L HA 0.295 4.633 4.340 -0.004 0.000 0.275 246 L C 1.388 178.292 176.870 0.056 0.000 1.128 246 L CA 0.149 55.033 54.840 0.073 0.000 0.875 246 L CB 0.555 42.672 42.059 0.098 0.000 1.171 246 L HN 0.293 nan 8.230 nan 0.000 0.463 247 Q N 3.940 123.776 119.800 0.061 0.000 2.046 247 Q HA -0.082 4.256 4.340 -0.004 0.000 0.200 247 Q C -0.491 175.426 176.000 -0.139 0.000 0.975 247 Q CA 1.352 57.140 55.803 -0.024 0.000 0.836 247 Q CB 0.115 28.863 28.738 0.016 0.000 0.896 247 Q HN 0.684 nan 8.270 nan 0.000 0.428 248 Y N 0.666 120.980 120.300 0.024 0.000 2.352 248 Y HA 0.381 4.929 4.550 -0.004 0.000 0.339 248 Y C -2.021 173.891 175.900 0.021 0.000 0.992 248 Y CA -2.921 55.191 58.100 0.019 0.000 1.100 248 Y CB 1.324 39.786 38.460 0.004 0.000 1.192 248 Y HN 0.172 nan 8.280 nan 0.000 0.458 249 P HA 0.063 nan 4.420 nan 0.000 0.269 249 P C -1.002 176.313 177.300 0.023 0.000 1.215 249 P CA -0.382 62.742 63.100 0.040 0.000 0.780 249 P CB 0.663 32.327 31.700 -0.060 0.000 0.898 250 K N 0.865 121.262 120.400 -0.005 0.000 2.143 250 K HA 0.378 4.696 4.320 -0.004 0.000 0.272 250 K C -0.247 176.307 176.600 -0.077 0.000 1.001 250 K CA -0.434 55.847 56.287 -0.010 0.000 0.915 250 K CB 0.703 33.220 32.500 0.027 0.000 1.047 250 K HN 0.318 nan 8.250 nan 0.000 0.458 251 T N 2.033 116.529 114.554 -0.097 0.000 2.733 251 T HA 0.174 4.521 4.350 -0.004 0.000 0.294 251 T C 0.028 174.604 174.700 -0.207 0.000 0.956 251 T CA -0.601 61.406 62.100 -0.154 0.000 0.987 251 T CB 0.700 69.495 68.868 -0.122 0.000 0.920 251 T HN 0.186 nan 8.240 nan 0.000 0.470 252 V N 5.846 125.545 119.914 -0.359 0.000 2.530 252 V HA 0.375 4.492 4.120 -0.004 0.000 0.282 252 V C 0.510 176.348 176.094 -0.426 0.000 1.048 252 V CA -0.353 61.683 62.300 -0.441 0.000 0.997 252 V CB 0.573 31.955 31.823 -0.734 0.000 0.987 252 V HN 0.715 nan 8.190 nan 0.000 0.477 253 R N 3.692 124.066 120.500 -0.211 0.000 2.476 253 R HA 0.709 5.047 4.340 -0.004 0.000 0.305 253 R C -1.700 174.592 176.300 -0.012 0.000 0.965 253 R CA -0.597 55.426 56.100 -0.128 0.000 0.867 253 R CB 2.220 32.472 30.300 -0.080 0.000 1.176 253 R HN 0.500 nan 8.270 nan 0.000 0.447 254 V N 3.996 123.908 119.914 -0.002 0.000 2.531 254 V HA 0.324 4.442 4.120 -0.004 0.000 0.301 254 V C -2.344 173.812 176.094 0.104 0.000 1.034 254 V CA -2.482 59.883 62.300 0.109 0.000 0.865 254 V CB 2.139 33.991 31.823 0.048 0.000 0.995 254 V HN 0.614 nan 8.190 nan 0.000 0.424 255 P HA 0.128 nan 4.420 nan 0.000 0.261 255 P C -1.296 176.127 177.300 0.205 0.000 1.203 255 P CA 0.386 63.603 63.100 0.195 0.000 0.767 255 P CB -0.194 31.661 31.700 0.259 0.000 0.785 256 Y N 6.267 126.560 120.300 -0.011 0.000 2.307 256 Y HA 0.373 4.920 4.550 -0.004 0.000 0.323 256 Y C -2.762 173.122 175.900 -0.026 0.000 1.100 256 Y CA -2.821 55.227 58.100 -0.087 0.000 1.140 256 Y CB 1.824 40.112 38.460 -0.287 0.000 1.159 256 Y HN 0.271 nan 8.280 nan 0.000 0.436 257 P HA 0.275 nan 4.420 nan 0.000 0.287 257 P C -0.914 176.442 177.300 0.093 0.000 1.307 257 P CA -0.198 62.952 63.100 0.084 0.000 0.777 257 P CB 1.322 33.050 31.700 0.048 0.000 0.883 258 K N 1.946 122.472 120.400 0.210 0.000 2.117 258 K HA 0.536 4.854 4.320 -0.004 0.000 0.240 258 K C 0.572 177.265 176.600 0.154 0.000 1.031 258 K CA -0.748 55.677 56.287 0.229 0.000 0.909 258 K CB 0.528 33.184 32.500 0.260 0.000 1.097 258 K HN 0.443 nan 8.250 nan 0.000 0.492 259 A N 0.500 123.433 122.820 0.188 0.000 2.546 259 A HA 0.345 4.663 4.320 -0.004 0.000 0.243 259 A C 1.153 178.765 177.584 0.047 0.000 1.063 259 A CA 0.842 52.976 52.037 0.162 0.000 0.757 259 A CB -0.997 18.185 19.000 0.304 0.000 0.991 259 A HN 0.880 nan 8.150 nan 0.000 0.503 260 G N 0.741 109.560 108.800 0.033 0.000 2.205 260 G HA2 0.098 4.056 3.960 -0.004 0.000 0.261 260 G HA3 0.098 4.056 3.960 -0.004 0.000 0.261 260 G C 0.676 175.585 174.900 0.015 0.000 0.980 260 G CA 0.756 45.850 45.100 -0.009 0.000 0.632 260 G HN 2.125 nan 8.290 nan 0.000 0.533 261 A N -0.378 122.468 122.820 0.044 0.000 2.249 261 A HA 0.756 5.073 4.320 -0.004 0.000 0.281 261 A C 0.859 178.473 177.584 0.051 0.000 1.127 261 A CA 0.287 52.354 52.037 0.050 0.000 0.833 261 A CB 0.650 19.694 19.000 0.073 0.000 1.140 261 A HN 1.157 nan 8.150 nan 0.000 0.502 262 V N 2.492 122.437 119.914 0.053 0.000 2.485 262 V HA 0.006 4.124 4.120 -0.004 0.000 0.287 262 V C 0.377 176.516 176.094 0.076 0.000 1.022 262 V CA -0.025 62.308 62.300 0.055 0.000 1.067 262 V CB -0.441 31.416 31.823 0.056 0.000 0.967 262 V HN 0.780 nan 8.190 nan 0.000 0.479 263 N N 6.541 125.285 118.700 0.073 0.000 2.463 263 N HA 0.438 5.176 4.740 -0.004 0.000 0.270 263 N C -2.315 173.280 175.510 0.142 0.000 1.205 263 N CA -1.469 51.647 53.050 0.110 0.000 0.974 263 N CB 0.875 39.421 38.487 0.098 0.000 1.197 263 N HN 0.392 nan 8.380 nan 0.000 0.504 264 P HA 0.079 nan 4.420 nan 0.000 0.272 264 P C -0.409 177.050 177.300 0.265 0.000 1.223 264 P CA -0.109 63.154 63.100 0.272 0.000 0.784 264 P CB 0.369 32.292 31.700 0.372 0.000 0.923 265 T N -1.442 113.247 114.554 0.225 0.000 2.948 265 T HA 0.622 4.970 4.350 -0.004 0.000 0.285 265 T C -0.369 174.465 174.700 0.223 0.000 1.019 265 T CA -0.864 61.329 62.100 0.156 0.000 1.013 265 T CB 1.508 70.428 68.868 0.087 0.000 1.117 265 T HN 0.346 nan 8.240 nan 0.000 0.533 266 V N 0.380 120.400 119.914 0.177 0.000 2.888 266 V HA 0.717 4.835 4.120 -0.004 0.000 0.309 266 V C -1.618 174.558 176.094 0.136 0.000 1.114 266 V CA -0.828 61.550 62.300 0.130 0.000 0.940 266 V CB 2.115 34.073 31.823 0.225 0.000 1.021 266 V HN 1.067 nan 8.190 nan 0.000 0.426 267 K N 4.557 124.970 120.400 0.021 0.000 2.435 267 K HA 0.598 4.916 4.320 -0.004 0.000 0.251 267 K C -1.897 174.601 176.600 -0.171 0.000 0.954 267 K CA -0.547 55.708 56.287 -0.054 0.000 0.820 267 K CB 2.893 35.324 32.500 -0.115 0.000 1.292 267 K HN 0.543 nan 8.250 nan 0.000 0.436 268 F N 2.050 121.695 119.950 -0.509 0.000 2.507 268 F HA 0.559 5.083 4.527 -0.004 0.000 0.325 268 F C -1.488 173.785 175.800 -0.878 0.000 1.116 268 F CA -0.688 57.000 58.000 -0.520 0.000 0.930 268 F CB 0.879 39.699 39.000 -0.300 0.000 1.146 268 F HN 0.385 nan 8.300 nan 0.000 0.447 269 F N 4.055 123.296 119.950 -1.181 0.000 2.588 269 F HA 0.742 5.266 4.527 -0.004 0.000 0.314 269 F C -0.993 174.188 175.800 -1.032 0.000 1.069 269 F CA -1.214 56.209 58.000 -0.961 0.000 0.931 269 F CB 2.129 40.471 39.000 -1.097 0.000 1.260 269 F HN 0.113 nan 8.300 nan 0.000 0.465 270 V N 2.696 122.395 119.914 -0.358 0.000 2.531 270 V HA 0.598 4.716 4.120 -0.004 0.000 0.301 270 V C -1.041 175.124 176.094 0.117 0.000 1.034 270 V CA -0.848 61.321 62.300 -0.217 0.000 0.865 270 V CB 1.866 33.352 31.823 -0.561 0.000 0.995 270 V HN 0.602 nan 8.190 nan 0.000 0.424 271 V N 4.223 124.273 119.914 0.227 0.000 2.628 271 V HA 0.502 4.620 4.120 -0.004 0.000 0.306 271 V C -0.042 176.282 176.094 0.383 0.000 1.045 271 V CA -0.644 61.827 62.300 0.286 0.000 0.905 271 V CB 1.986 33.925 31.823 0.193 0.000 0.997 271 V HN 1.010 nan 8.190 nan 0.000 0.436 272 N N 3.074 121.982 118.700 0.347 0.000 2.439 272 N HA 0.139 4.877 4.740 -0.004 0.000 0.243 272 N C 1.267 176.791 175.510 0.023 0.000 1.088 272 N CA 0.368 53.512 53.050 0.157 0.000 0.940 272 N CB 1.071 39.622 38.487 0.107 0.000 1.180 272 N HN 0.883 nan 8.380 nan 0.000 0.505 273 T N 0.079 114.636 114.554 0.005 0.000 2.995 273 T HA -0.078 4.270 4.350 -0.004 0.000 0.269 273 T C 0.967 175.633 174.700 -0.056 0.000 1.091 273 T CA 0.809 62.911 62.100 0.005 0.000 1.128 273 T CB 0.024 68.980 68.868 0.147 0.000 0.891 273 T HN 0.358 nan 8.240 nan 0.000 0.492 274 D N 2.006 122.349 120.400 -0.096 0.000 2.264 274 D HA -0.040 4.598 4.640 -0.004 0.000 0.208 274 D C 2.314 178.557 176.300 -0.094 0.000 0.966 274 D CA 1.320 55.258 54.000 -0.104 0.000 0.864 274 D CB -0.256 40.461 40.800 -0.139 0.000 0.933 274 D HN 0.683 nan 8.370 nan 0.000 0.499 275 S N -0.563 115.088 115.700 -0.083 0.000 2.562 275 S HA 0.049 4.517 4.470 -0.004 0.000 0.221 275 S C 2.023 176.560 174.600 -0.105 0.000 0.975 275 S CA -0.084 58.081 58.200 -0.058 0.000 0.918 275 S CB -0.282 62.914 63.200 -0.007 0.000 0.772 275 S HN 0.196 nan 8.310 nan 0.000 0.531 276 L N 2.232 123.334 121.223 -0.202 0.000 2.046 276 L HA -0.079 4.259 4.340 -0.004 0.000 0.208 276 L C 2.816 179.409 176.870 -0.462 0.000 1.077 276 L CA 1.587 56.183 54.840 -0.408 0.000 0.747 276 L CB -0.691 40.921 42.059 -0.745 0.000 0.896 276 L HN 0.591 nan 8.230 nan 0.000 0.432 277 S N -2.723 112.782 115.700 -0.325 0.000 2.603 277 S HA 0.038 4.506 4.470 -0.004 0.000 0.220 277 S C 1.556 176.150 174.600 -0.011 0.000 0.967 277 S CA 0.412 58.553 58.200 -0.099 0.000 0.920 277 S CB 0.289 63.497 63.200 0.013 0.000 0.773 277 S HN 0.242 nan 8.310 nan 0.000 0.529 278 S N 0.679 116.358 115.700 -0.034 0.000 2.505 278 S HA 0.352 4.819 4.470 -0.004 0.000 0.216 278 S C 0.476 175.084 174.600 0.013 0.000 1.018 278 S CA 0.122 58.322 58.200 0.001 0.000 0.911 278 S CB 0.682 63.880 63.200 -0.004 0.000 0.818 278 S HN 0.680 nan 8.310 nan 0.000 0.497 279 V N -0.126 119.793 119.914 0.007 0.000 2.962 279 V HA 0.592 4.710 4.120 -0.004 0.000 0.313 279 V C 0.993 177.113 176.094 0.045 0.000 1.099 279 V CA -0.452 61.863 62.300 0.025 0.000 0.971 279 V CB 1.246 33.084 31.823 0.024 0.000 1.028 279 V HN 0.208 nan 8.190 nan 0.000 0.430 280 T N -0.988 113.603 114.554 0.061 0.000 2.904 280 T HA 0.051 4.399 4.350 -0.004 0.000 0.267 280 T C 0.751 175.525 174.700 0.123 0.000 1.059 280 T CA 1.456 63.615 62.100 0.100 0.000 1.137 280 T CB -0.352 68.561 68.868 0.075 0.000 0.879 280 T HN 0.749 nan 8.240 nan 0.000 0.467 281 N N 1.278 120.025 118.700 0.078 0.000 2.609 281 N HA 0.556 5.293 4.740 -0.004 0.000 0.268 281 N C -1.059 174.493 175.510 0.070 0.000 1.106 281 N CA -0.404 52.699 53.050 0.089 0.000 0.823 281 N CB 1.326 39.804 38.487 -0.014 0.000 1.263 281 N HN 0.487 nan 8.380 nan 0.000 0.533 282 A N 1.925 124.793 122.820 0.081 0.000 2.425 282 A HA 0.396 4.714 4.320 -0.004 0.000 0.249 282 A C 0.286 177.925 177.584 0.093 0.000 1.084 282 A CA 0.087 52.165 52.037 0.069 0.000 0.781 282 A CB -0.010 19.018 19.000 0.046 0.000 1.019 282 A HN 0.537 nan 8.150 nan 0.000 0.490 283 T N 2.572 117.189 114.554 0.104 0.000 2.794 283 T HA 0.291 4.639 4.350 -0.004 0.000 0.296 283 T C 0.427 175.219 174.700 0.154 0.000 0.949 283 T CA 0.223 62.393 62.100 0.117 0.000 1.101 283 T CB 0.457 69.400 68.868 0.125 0.000 0.905 283 T HN 0.540 nan 8.240 nan 0.000 0.516 284 S N 4.105 119.882 115.700 0.129 0.000 2.439 284 S HA 0.292 4.759 4.470 -0.004 0.000 0.282 284 S C 0.323 175.073 174.600 0.250 0.000 1.170 284 S CA -0.731 57.558 58.200 0.149 0.000 1.054 284 S CB -0.030 63.162 63.200 -0.013 0.000 0.956 284 S HN 0.436 nan 8.310 nan 0.000 0.490 285 I N 3.616 124.349 120.570 0.271 0.000 2.371 285 I HA 0.235 4.403 4.170 -0.004 0.000 0.290 285 I C 0.657 176.896 176.117 0.204 0.000 1.028 285 I CA -0.188 61.280 61.300 0.280 0.000 1.345 285 I CB 0.817 39.050 38.000 0.387 0.000 1.407 285 I HN 0.635 nan 8.210 nan 0.000 0.501 286 Q N 5.995 125.884 119.800 0.148 0.000 2.259 286 Q HA 0.485 4.822 4.340 -0.004 0.000 0.249 286 Q C -1.051 174.904 176.000 -0.075 0.000 0.914 286 Q CA -0.448 55.252 55.803 -0.171 0.000 0.904 286 Q CB 1.349 29.940 28.738 -0.246 0.000 1.213 286 Q HN 0.546 nan 8.270 nan 0.000 0.428 287 I N 3.895 124.409 120.570 -0.094 0.000 2.354 287 I HA 0.201 4.369 4.170 -0.004 0.000 0.286 287 I C 0.170 176.291 176.117 0.007 0.000 1.007 287 I CA -0.655 60.653 61.300 0.014 0.000 1.167 287 I CB 1.576 39.611 38.000 0.059 0.000 1.320 287 I HN 0.681 nan 8.210 nan 0.000 0.458 288 T N 2.990 117.514 114.554 -0.050 0.000 2.904 288 T HA 0.633 4.980 4.350 -0.004 0.000 0.290 288 T C 0.433 174.973 174.700 -0.267 0.000 1.018 288 T CA -0.831 61.189 62.100 -0.133 0.000 1.075 288 T CB 1.581 70.366 68.868 -0.138 0.000 0.986 288 T HN 0.584 nan 8.240 nan 0.000 0.523 289 A N 3.433 125.872 122.820 -0.635 0.000 2.466 289 A HA 0.502 4.820 4.320 -0.004 0.000 0.238 289 A C -1.827 175.325 177.584 -0.719 0.000 1.074 289 A CA -1.305 49.968 52.037 -1.274 0.000 0.774 289 A CB -0.828 17.079 19.000 -1.822 0.000 1.015 289 A HN 0.802 nan 8.150 nan 0.000 0.498 290 P HA 0.156 nan 4.420 nan 0.000 0.269 290 P C 0.812 177.910 177.300 -0.336 0.000 1.215 290 P CA 0.579 63.462 63.100 -0.363 0.000 0.780 290 P CB 0.728 32.274 31.700 -0.257 0.000 0.898 291 A N 3.004 125.694 122.820 -0.217 0.000 1.958 291 A HA -0.247 4.071 4.320 -0.004 0.000 0.221 291 A C 2.211 179.692 177.584 -0.171 0.000 1.178 291 A CA 2.669 54.600 52.037 -0.177 0.000 0.642 291 A CB -1.841 17.088 19.000 -0.119 0.000 0.816 291 A HN 0.681 nan 8.150 nan 0.000 0.453 292 S N -1.546 114.069 115.700 -0.141 0.000 2.469 292 S HA -0.082 4.386 4.470 -0.004 0.000 0.238 292 S C 1.740 176.260 174.600 -0.133 0.000 0.998 292 S CA 1.535 59.673 58.200 -0.102 0.000 0.957 292 S CB -0.279 62.929 63.200 0.013 0.000 0.764 292 S HN 0.410 nan 8.310 nan 0.000 0.514 293 M N 0.861 120.310 119.600 -0.251 0.000 2.447 293 M HA 0.353 4.831 4.480 -0.004 0.000 0.266 293 M C 2.010 178.034 176.300 -0.460 0.000 1.120 293 M CA 0.717 55.784 55.300 -0.388 0.000 1.166 293 M CB -1.161 31.021 32.600 -0.697 0.000 1.349 293 M HN 0.325 nan 8.290 nan 0.000 0.463 294 L N 0.893 121.856 121.223 -0.435 0.000 2.362 294 L HA -0.136 4.202 4.340 -0.004 0.000 0.219 294 L C 2.280 179.083 176.870 -0.111 0.000 1.134 294 L CA 0.577 55.258 54.840 -0.264 0.000 0.807 294 L CB -0.848 41.071 42.059 -0.235 0.000 0.927 294 L HN 0.304 nan 8.230 nan 0.000 0.447 295 I N -2.536 117.967 120.570 -0.113 0.000 2.700 295 I HA 0.037 4.205 4.170 -0.004 0.000 0.261 295 I C 1.121 177.216 176.117 -0.037 0.000 1.219 295 I CA 0.926 62.183 61.300 -0.072 0.000 1.463 295 I CB -0.520 37.429 38.000 -0.085 0.000 1.092 295 I HN 0.110 nan 8.210 nan 0.000 0.452 296 G N -0.133 108.664 108.800 -0.005 0.000 2.731 296 G HA2 0.263 4.220 3.960 -0.004 0.000 0.309 296 G HA3 0.263 4.220 3.960 -0.004 0.000 0.309 296 G C -1.798 173.158 174.900 0.092 0.000 1.273 296 G CA -0.563 44.549 45.100 0.020 0.000 0.798 296 G HN 0.027 nan 8.290 nan 0.000 0.509 297 D N 1.280 121.686 120.400 0.010 0.000 2.443 297 D HA 0.440 5.078 4.640 -0.004 0.000 0.239 297 D C 0.334 176.585 176.300 -0.082 0.000 1.136 297 D CA 0.700 54.648 54.000 -0.088 0.000 0.879 297 D CB 0.464 41.178 40.800 -0.143 0.000 1.195 297 D HN 0.545 nan 8.370 nan 0.000 0.443 298 H N -0.833 118.093 119.070 -0.239 0.000 2.918 298 H HA 0.426 4.980 4.556 -0.004 0.000 0.303 298 H C -1.386 173.773 175.328 -0.281 0.000 1.380 298 H CA -0.806 55.094 56.048 -0.247 0.000 1.134 298 H CB 0.307 30.056 29.762 -0.021 0.000 1.842 298 H HN 0.292 nan 8.280 nan 0.000 0.533 299 Y N 0.014 120.548 120.300 0.391 0.000 2.545 299 Y HA 0.396 4.943 4.550 -0.004 0.000 0.348 299 Y C -0.309 175.911 175.900 0.534 0.000 1.002 299 Y CA -1.149 57.193 58.100 0.403 0.000 1.039 299 Y CB 1.938 40.478 38.460 0.134 0.000 1.271 299 Y HN 0.472 nan 8.280 nan 0.000 0.467 300 L N 3.174 124.793 121.223 0.659 0.000 2.281 300 L HA 0.370 4.708 4.340 -0.004 0.000 0.285 300 L C 0.453 177.417 176.870 0.158 0.000 1.074 300 L CA -0.149 54.757 54.840 0.109 0.000 0.817 300 L CB 0.338 42.358 42.059 -0.065 0.000 1.168 300 L HN 0.995 nan 8.230 nan 0.000 0.434 301 C N 0.861 120.102 119.300 -0.099 0.000 3.559 301 C HA 0.605 5.063 4.460 -0.004 0.000 0.314 301 C C 0.158 175.004 174.990 -0.240 0.000 1.419 301 C CA -0.246 58.629 59.018 -0.239 0.000 1.775 301 C CB -1.145 26.498 27.740 -0.161 0.000 2.430 301 C HN 0.878 nan 8.230 nan 0.000 0.686 302 D N -0.240 120.056 120.400 -0.174 0.000 2.769 302 D HA 0.569 5.206 4.640 -0.004 0.000 0.219 302 D C -1.539 174.521 176.300 -0.400 0.000 1.245 302 D CA -0.148 53.771 54.000 -0.135 0.000 0.801 302 D CB 2.234 42.930 40.800 -0.173 0.000 1.598 302 D HN 0.021 nan 8.370 nan 0.000 0.485 303 V N 2.283 121.885 119.914 -0.520 0.000 2.577 303 V HA 0.735 4.852 4.120 -0.004 0.000 0.303 303 V C -0.513 175.197 176.094 -0.640 0.000 1.042 303 V CA -0.600 61.151 62.300 -0.914 0.000 0.872 303 V CB 1.783 32.546 31.823 -1.766 0.000 0.998 303 V HN 0.660 nan 8.190 nan 0.000 0.423 304 T N 4.288 118.547 114.554 -0.491 0.000 3.031 304 T HA 0.453 4.801 4.350 -0.004 0.000 0.305 304 T C -1.286 173.273 174.700 -0.235 0.000 0.985 304 T CA -0.267 61.706 62.100 -0.212 0.000 1.008 304 T CB 0.481 69.304 68.868 -0.076 0.000 1.005 304 T HN 0.493 nan 8.240 nan 0.000 0.444 305 W N 3.963 125.203 121.300 -0.099 0.000 2.253 305 W HA 0.506 5.163 4.660 -0.004 0.000 0.322 305 W C 1.178 177.572 176.519 -0.209 0.000 1.342 305 W CA -0.079 57.200 57.345 -0.110 0.000 1.218 305 W CB 0.769 30.248 29.460 0.032 0.000 1.205 305 W HN 0.884 nan 8.180 nan 0.000 0.551 306 A N 2.193 124.886 122.820 -0.212 0.000 1.920 306 A HA 0.180 4.498 4.320 -0.004 0.000 0.209 306 A C 0.935 178.476 177.584 -0.073 0.000 1.229 306 A CA 1.554 53.248 52.037 -0.571 0.000 0.671 306 A CB -0.356 17.884 19.000 -1.267 0.000 0.886 306 A HN 0.532 nan 8.150 nan 0.000 0.461 307 T N -5.576 109.037 114.554 0.098 0.000 2.654 307 T HA 0.348 4.696 4.350 -0.004 0.000 0.289 307 T C 0.135 175.000 174.700 0.275 0.000 1.062 307 T CA -0.387 61.813 62.100 0.168 0.000 1.041 307 T CB 0.685 69.635 68.868 0.137 0.000 1.417 307 T HN -0.026 nan 8.240 nan 0.000 0.510 308 Q N 0.308 120.235 119.800 0.212 0.000 2.291 308 Q HA 0.046 4.384 4.340 -0.004 0.000 0.205 308 Q C 0.738 176.994 176.000 0.428 0.000 0.970 308 Q CA 1.349 57.281 55.803 0.215 0.000 0.876 308 Q CB -0.071 28.752 28.738 0.143 0.000 0.935 308 Q HN 0.815 nan 8.270 nan 0.000 0.455 309 E N 0.056 120.508 120.200 0.421 0.000 2.812 309 E HA 0.209 4.557 4.350 -0.004 0.000 0.211 309 E C -0.250 176.612 176.600 0.437 0.000 0.986 309 E CA -0.171 56.494 56.400 0.443 0.000 1.119 309 E CB 0.965 30.829 29.700 0.272 0.000 1.046 309 E HN -0.021 nan 8.360 nan 0.000 0.474 310 R N 1.533 122.323 120.500 0.484 0.000 2.522 310 R HA 0.488 4.826 4.340 -0.004 0.000 0.283 310 R C -1.874 174.445 176.300 0.031 0.000 1.074 310 R CA -0.453 55.797 56.100 0.251 0.000 0.925 310 R CB 1.347 31.688 30.300 0.068 0.000 1.205 310 R HN 0.096 nan 8.270 nan 0.000 0.436 311 I N 3.216 123.639 120.570 -0.244 0.000 2.569 311 I HA 0.444 4.612 4.170 -0.004 0.000 0.296 311 I C -0.806 174.999 176.117 -0.520 0.000 1.028 311 I CA -0.540 60.347 61.300 -0.688 0.000 1.082 311 I CB 2.246 39.418 38.000 -1.381 0.000 1.264 311 I HN 0.858 nan 8.210 nan 0.000 0.429 312 S N 7.605 122.986 115.700 -0.532 0.000 2.509 312 S HA 0.753 5.221 4.470 -0.004 0.000 0.297 312 S C -0.959 173.314 174.600 -0.545 0.000 1.118 312 S CA -0.746 57.210 58.200 -0.405 0.000 1.074 312 S CB 1.522 64.592 63.200 -0.216 0.000 1.038 312 S HN 0.541 nan 8.310 nan 0.000 0.498 313 L N 2.089 122.996 121.223 -0.526 0.000 2.385 313 L HA 0.524 4.862 4.340 -0.004 0.000 0.273 313 L C -0.397 176.148 176.870 -0.540 0.000 0.990 313 L CA -0.685 53.722 54.840 -0.722 0.000 0.821 313 L CB 2.081 43.589 42.059 -0.919 0.000 1.279 313 L HN 0.685 nan 8.230 nan 0.000 0.412 314 Q N 1.894 121.359 119.800 -0.559 0.000 2.293 314 Q HA 0.443 4.781 4.340 -0.004 0.000 0.261 314 Q C -1.670 174.080 176.000 -0.415 0.000 0.960 314 Q CA -0.518 55.072 55.803 -0.354 0.000 0.882 314 Q CB 2.338 30.939 28.738 -0.229 0.000 1.275 314 Q HN 0.420 nan 8.270 nan 0.000 0.445 315 W N 2.392 123.649 121.300 -0.072 0.000 2.689 315 W HA 0.606 5.264 4.660 -0.004 0.000 0.340 315 W C -0.920 175.630 176.519 0.052 0.000 1.060 315 W CA -0.716 56.635 57.345 0.010 0.000 1.218 315 W CB 1.125 30.567 29.460 -0.029 0.000 1.410 315 W HN 0.373 nan 8.180 nan 0.000 0.528 316 L N 2.936 124.394 121.223 0.392 0.000 2.385 316 L HA 0.559 4.896 4.340 -0.004 0.000 0.273 316 L C -0.035 177.030 176.870 0.324 0.000 0.990 316 L CA -1.148 53.881 54.840 0.314 0.000 0.821 316 L CB 1.273 43.503 42.059 0.285 0.000 1.279 316 L HN 0.396 nan 8.230 nan 0.000 0.412 317 R N 2.637 123.287 120.500 0.250 0.000 2.694 317 R HA 0.175 4.513 4.340 -0.004 0.000 0.268 317 R C 0.987 177.349 176.300 0.104 0.000 1.061 317 R CA -0.129 56.066 56.100 0.158 0.000 1.133 317 R CB 0.522 30.906 30.300 0.140 0.000 1.020 317 R HN 0.648 nan 8.270 nan 0.000 0.475 318 R N 1.417 121.890 120.500 -0.045 0.000 2.120 318 R HA -0.055 4.283 4.340 -0.004 0.000 0.234 318 R C 0.391 176.743 176.300 0.087 0.000 1.123 318 R CA 1.027 57.086 56.100 -0.068 0.000 0.975 318 R CB 0.210 30.418 30.300 -0.153 0.000 0.866 318 R HN 0.383 nan 8.270 nan 0.000 0.446 319 I N 2.863 123.469 120.570 0.061 0.000 2.347 319 I HA -0.006 4.161 4.170 -0.004 0.000 0.294 319 I C 0.275 176.455 176.117 0.104 0.000 1.090 319 I CA 0.521 61.862 61.300 0.068 0.000 1.314 319 I CB 0.997 39.023 38.000 0.043 0.000 1.423 319 I HN 0.268 nan 8.210 nan 0.000 0.503 320 Q N 4.685 124.546 119.800 0.101 0.000 2.292 320 Q HA -0.004 4.334 4.340 -0.004 0.000 0.247 320 Q C 0.465 176.546 176.000 0.134 0.000 0.911 320 Q CA 0.016 55.894 55.803 0.125 0.000 0.948 320 Q CB -0.206 28.569 28.738 0.063 0.000 1.093 320 Q HN 0.625 nan 8.270 nan 0.000 0.428 321 N N -0.774 118.007 118.700 0.134 0.000 2.235 321 N HA -0.011 4.727 4.740 -0.004 0.000 0.231 321 N C -1.093 174.527 175.510 0.184 0.000 1.177 321 N CA -0.226 52.896 53.050 0.119 0.000 0.874 321 N CB 0.295 38.828 38.487 0.077 0.000 1.097 321 N HN 0.161 nan 8.380 nan 0.000 0.518 322 Y N -0.189 120.138 120.300 0.045 0.000 2.358 322 Y HA 0.555 5.103 4.550 -0.004 0.000 0.324 322 Y C -1.375 174.562 175.900 0.062 0.000 1.123 322 Y CA -0.798 57.327 58.100 0.041 0.000 1.067 322 Y CB 1.747 40.222 38.460 0.026 0.000 1.230 322 Y HN 0.014 nan 8.280 nan 0.000 0.429 323 S N 4.226 119.798 115.700 -0.214 0.000 2.549 323 S HA 0.895 5.362 4.470 -0.004 0.000 0.280 323 S C -2.068 172.415 174.600 -0.194 0.000 1.109 323 S CA -0.501 57.650 58.200 -0.081 0.000 0.905 323 S CB 1.439 64.615 63.200 -0.040 0.000 1.081 323 S HN 0.464 nan 8.310 nan 0.000 0.477 324 V N 4.779 124.679 119.914 -0.024 0.000 2.577 324 V HA 0.509 4.627 4.120 -0.004 0.000 0.303 324 V C -0.356 175.773 176.094 0.059 0.000 1.042 324 V CA -0.616 61.679 62.300 -0.009 0.000 0.872 324 V CB 1.769 33.616 31.823 0.040 0.000 0.998 324 V HN 0.948 nan 8.190 nan 0.000 0.423 325 M N 3.856 123.461 119.600 0.009 0.000 2.180 325 M HA 0.507 4.984 4.480 -0.004 0.000 0.350 325 M C -1.215 175.098 176.300 0.022 0.000 1.125 325 M CA -0.254 55.031 55.300 -0.025 0.000 1.031 325 M CB 1.014 33.551 32.600 -0.105 0.000 1.623 325 M HN 0.606 nan 8.290 nan 0.000 0.451 326 D N 5.235 125.639 120.400 0.006 0.000 2.185 326 D HA 0.530 5.168 4.640 -0.004 0.000 0.247 326 D C -0.964 175.303 176.300 -0.055 0.000 1.027 326 D CA -0.037 53.966 54.000 0.004 0.000 0.861 326 D CB 1.778 42.605 40.800 0.046 0.000 1.202 326 D HN 0.592 nan 8.370 nan 0.000 0.453 327 I N 2.258 122.819 120.570 -0.015 0.000 2.410 327 I HA 0.295 4.463 4.170 -0.004 0.000 0.286 327 I C -0.662 175.451 176.117 -0.006 0.000 1.009 327 I CA -0.557 60.726 61.300 -0.027 0.000 1.111 327 I CB 1.382 39.420 38.000 0.062 0.000 1.262 327 I HN 0.166 nan 8.210 nan 0.000 0.443 328 c N 3.840 122.429 118.600 -0.018 0.000 2.455 328 c HA 0.578 5.145 4.570 -0.004 0.000 0.320 328 c C -0.481 173.746 174.090 0.229 0.000 1.226 328 c CA -0.711 55.674 56.329 0.092 0.000 1.569 328 c CB 1.288 43.850 42.510 0.088 0.000 2.200 328 c HN 0.582 nan 8.230 nan 0.000 0.491 329 D N 0.280 120.793 120.400 0.189 0.000 2.350 329 D HA 0.312 4.950 4.640 -0.004 0.000 0.245 329 D C -0.736 175.458 176.300 -0.178 0.000 1.036 329 D CA -0.265 53.789 54.000 0.090 0.000 0.848 329 D CB 0.979 41.789 40.800 0.016 0.000 1.307 329 D HN 0.568 nan 8.370 nan 0.000 0.469 330 Y N 1.632 121.488 120.300 -0.739 0.000 2.465 330 Y HA 0.182 4.730 4.550 -0.004 0.000 0.331 330 Y C -0.139 175.449 175.900 -0.519 0.000 1.102 330 Y CA -0.106 57.264 58.100 -1.217 0.000 1.358 330 Y CB 0.571 38.257 38.460 -1.290 0.000 1.213 330 Y HN 0.143 nan 8.280 nan 0.000 0.525 331 D N 5.744 125.553 120.400 -0.985 0.000 2.412 331 D HA 0.083 4.721 4.640 -0.004 0.000 0.224 331 D C 0.704 176.460 176.300 -0.907 0.000 1.093 331 D CA -0.014 53.581 54.000 -0.674 0.000 0.850 331 D CB 0.763 41.327 40.800 -0.395 0.000 1.046 331 D HN 0.872 nan 8.370 nan 0.000 0.507 332 E N 1.576 121.390 120.200 -0.643 0.000 2.153 332 E HA -0.168 4.180 4.350 -0.004 0.000 0.194 332 E C 1.520 177.995 176.600 -0.208 0.000 0.988 332 E CA 0.926 57.100 56.400 -0.376 0.000 0.811 332 E CB 0.382 30.050 29.700 -0.054 0.000 0.746 332 E HN 0.539 nan 8.360 nan 0.000 0.466 333 S N -0.348 115.241 115.700 -0.184 0.000 2.436 333 S HA -0.085 4.382 4.470 -0.004 0.000 0.228 333 S C 2.006 176.542 174.600 -0.107 0.000 1.014 333 S CA 1.112 59.249 58.200 -0.106 0.000 0.950 333 S CB 0.117 63.268 63.200 -0.083 0.000 0.784 333 S HN 0.210 nan 8.310 nan 0.000 0.504 334 S N -0.123 115.477 115.700 -0.166 0.000 2.511 334 S HA 0.458 4.926 4.470 -0.004 0.000 0.214 334 S C 1.667 176.195 174.600 -0.120 0.000 0.997 334 S CA 0.569 58.695 58.200 -0.124 0.000 0.908 334 S CB -0.450 62.678 63.200 -0.120 0.000 0.803 334 S HN 1.441 nan 8.310 nan 0.000 0.504 335 G N 2.082 110.746 108.800 -0.227 0.000 2.180 335 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.263 335 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.263 335 G C 0.167 175.018 174.900 -0.081 0.000 0.989 335 G CA 0.444 45.472 45.100 -0.120 0.000 0.692 335 G HN 0.535 nan 8.290 nan 0.000 0.526 336 R N -1.537 118.828 120.500 -0.225 0.000 2.700 336 R HA 0.651 4.989 4.340 -0.004 0.000 0.253 336 R C -0.657 175.503 176.300 -0.233 0.000 1.091 336 R CA -1.115 54.940 56.100 -0.076 0.000 1.104 336 R CB 0.427 30.705 30.300 -0.037 0.000 1.202 336 R HN 0.203 nan 8.270 nan 0.000 0.532 337 W N 0.576 121.873 121.300 -0.005 0.000 2.411 337 W HA 0.397 5.054 4.660 -0.004 0.000 0.317 337 W C -0.384 176.114 176.519 -0.035 0.000 1.030 337 W CA -0.383 56.956 57.345 -0.011 0.000 1.239 337 W CB 0.936 30.395 29.460 -0.002 0.000 1.304 337 W HN 0.404 nan 8.180 nan 0.000 0.437 338 N N 2.307 121.069 118.700 0.104 0.000 2.372 338 N HA 0.519 5.257 4.740 -0.004 0.000 0.291 338 N C -1.363 174.181 175.510 0.057 0.000 1.024 338 N CA -0.664 52.415 53.050 0.049 0.000 0.873 338 N CB 1.229 39.708 38.487 -0.014 0.000 1.206 338 N HN 0.171 nan 8.380 nan 0.000 0.486 339 c N 3.074 121.695 118.600 0.035 0.000 2.250 339 c HA 0.345 4.913 4.570 -0.004 0.000 0.319 339 c C 0.422 174.511 174.090 -0.002 0.000 1.124 339 c CA -1.006 55.335 56.329 0.019 0.000 1.527 339 c CB -1.386 41.130 42.510 0.010 0.000 2.001 339 c HN 0.626 nan 8.230 nan 0.000 0.435 340 L N 2.701 123.924 121.223 0.000 0.000 2.499 340 L HA 0.053 4.391 4.340 -0.004 0.000 0.273 340 L C 1.527 178.382 176.870 -0.025 0.000 1.195 340 L CA 0.130 54.963 54.840 -0.012 0.000 0.882 340 L CB 0.732 42.788 42.059 -0.005 0.000 1.133 340 L HN 0.568 nan 8.230 nan 0.000 0.483 341 V N 3.300 123.193 119.914 -0.034 0.000 2.469 341 V HA -0.309 3.809 4.120 -0.004 0.000 0.251 341 V C 2.292 178.347 176.094 -0.065 0.000 1.064 341 V CA 1.994 64.265 62.300 -0.048 0.000 1.066 341 V CB -0.749 31.047 31.823 -0.044 0.000 0.667 341 V HN 1.026 nan 8.190 nan 0.000 0.461 342 A N -0.263 122.526 122.820 -0.051 0.000 2.186 342 A HA -0.169 4.149 4.320 -0.004 0.000 0.219 342 A C 2.199 179.732 177.584 -0.086 0.000 1.159 342 A CA 1.366 53.368 52.037 -0.059 0.000 0.680 342 A CB -0.426 18.555 19.000 -0.031 0.000 0.787 342 A HN 0.577 nan 8.150 nan 0.000 0.467 343 R N -1.023 119.432 120.500 -0.075 0.000 2.432 343 R HA 0.158 4.496 4.340 -0.004 0.000 0.260 343 R C 0.478 176.681 176.300 -0.162 0.000 0.935 343 R CA -0.151 55.917 56.100 -0.053 0.000 1.080 343 R CB 0.247 30.584 30.300 0.061 0.000 1.155 343 R HN 0.624 nan 8.270 nan 0.000 0.531 344 Q N 0.740 120.397 119.800 -0.237 0.000 2.243 344 Q HA 0.138 4.476 4.340 -0.004 0.000 0.252 344 Q C -1.186 174.577 176.000 -0.394 0.000 0.909 344 Q CA -0.309 55.380 55.803 -0.189 0.000 0.922 344 Q CB 0.802 29.479 28.738 -0.101 0.000 1.215 344 Q HN 0.228 nan 8.270 nan 0.000 0.427 345 H N 2.689 121.751 119.070 -0.014 0.000 2.547 345 H HA 0.385 4.939 4.556 -0.004 0.000 0.342 345 H C -0.737 174.553 175.328 -0.062 0.000 1.048 345 H CA -0.702 55.339 56.048 -0.012 0.000 1.204 345 H CB 1.107 30.853 29.762 -0.028 0.000 1.493 345 H HN 0.467 nan 8.280 nan 0.000 0.511 346 I N 2.021 122.601 120.570 0.016 0.000 2.392 346 I HA 0.290 4.458 4.170 -0.004 0.000 0.295 346 I C 0.287 176.347 176.117 -0.096 0.000 0.985 346 I CA -0.432 60.791 61.300 -0.129 0.000 1.221 346 I CB 1.359 39.257 38.000 -0.169 0.000 1.366 346 I HN 0.684 nan 8.210 nan 0.000 0.467 347 E N 6.901 126.989 120.200 -0.185 0.000 2.234 347 E HA 0.693 5.041 4.350 -0.004 0.000 0.266 347 E C -1.126 175.374 176.600 -0.166 0.000 0.877 347 E CA -0.609 55.731 56.400 -0.101 0.000 0.758 347 E CB 2.194 31.865 29.700 -0.049 0.000 1.170 347 E HN 0.644 nan 8.360 nan 0.000 0.415 348 M N 0.665 120.221 119.600 -0.074 0.000 2.622 348 M HA 0.620 5.098 4.480 -0.004 0.000 0.276 348 M C -1.331 174.974 176.300 0.008 0.000 1.265 348 M CA -0.919 54.368 55.300 -0.021 0.000 0.850 348 M CB 2.275 34.905 32.600 0.050 0.000 1.720 348 M HN 0.288 nan 8.290 nan 0.000 0.465 349 S N -0.285 115.424 115.700 0.015 0.000 2.557 349 S HA 0.547 5.015 4.470 -0.004 0.000 0.291 349 S C 0.379 174.970 174.600 -0.015 0.000 1.116 349 S CA 0.021 58.210 58.200 -0.019 0.000 0.992 349 S CB 1.778 64.927 63.200 -0.085 0.000 1.028 349 S HN 0.895 nan 8.310 nan 0.000 0.484 350 T N 0.212 114.758 114.554 -0.015 0.000 3.054 350 T HA 0.026 4.373 4.350 -0.004 0.000 0.259 350 T C 1.489 176.168 174.700 -0.036 0.000 1.092 350 T CA 1.090 63.183 62.100 -0.012 0.000 1.121 350 T CB -0.430 68.438 68.868 -0.001 0.000 0.912 350 T HN 0.687 nan 8.240 nan 0.000 0.489 351 T N -2.301 112.215 114.554 -0.063 0.000 3.001 351 T HA 0.620 4.967 4.350 -0.004 0.000 0.251 351 T C 1.054 175.563 174.700 -0.318 0.000 1.040 351 T CA 0.265 62.319 62.100 -0.077 0.000 0.985 351 T CB 0.543 69.443 68.868 0.054 0.000 1.011 351 T HN 0.604 nan 8.240 nan 0.000 0.509 352 G N 0.467 108.919 108.800 -0.580 0.000 2.635 352 G HA2 0.491 4.449 3.960 -0.004 0.000 0.194 352 G HA3 0.491 4.449 3.960 -0.004 0.000 0.194 352 G C -1.732 172.904 174.900 -0.441 0.000 1.198 352 G CA -0.593 43.942 45.100 -0.942 0.000 0.972 352 G HN 0.480 nan 8.290 nan 0.000 0.520 353 W N -0.226 120.825 121.300 -0.414 0.000 2.481 353 W HA 0.765 5.423 4.660 -0.004 0.000 0.369 353 W C -0.447 176.021 176.519 -0.084 0.000 1.235 353 W CA -1.355 55.872 57.345 -0.197 0.000 1.344 353 W CB 0.862 30.180 29.460 -0.236 0.000 1.360 353 W HN 0.274 nan 8.180 nan 0.000 0.658 354 V N 3.080 123.065 119.914 0.120 0.000 2.406 354 V HA 0.693 4.811 4.120 -0.004 0.000 0.272 354 V C 0.750 176.911 176.094 0.111 0.000 1.043 354 V CA 0.359 62.688 62.300 0.048 0.000 0.915 354 V CB -0.129 31.724 31.823 0.049 0.000 0.988 354 V HN 1.287 nan 8.190 nan 0.000 0.466 355 G N 5.016 113.838 108.800 0.037 0.000 2.746 355 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.685 355 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.685 355 G C 0.313 175.284 174.900 0.119 0.000 1.350 355 G CA 0.102 45.250 45.100 0.080 0.000 0.837 355 G HN 0.633 nan 8.290 nan 0.000 0.564 356 R N -0.588 119.972 120.500 0.100 0.000 2.070 356 R HA 0.038 4.376 4.340 -0.004 0.000 0.233 356 R C 1.968 178.209 176.300 -0.097 0.000 1.137 356 R CA 2.363 58.468 56.100 0.009 0.000 0.945 356 R CB -0.144 30.170 30.300 0.023 0.000 0.845 356 R HN 0.502 nan 8.270 nan 0.000 0.430 357 F N -1.095 118.997 119.950 0.235 0.000 2.784 357 F HA 0.273 4.798 4.527 -0.004 0.000 0.323 357 F C 0.471 176.302 175.800 0.052 0.000 1.085 357 F CA -0.510 57.574 58.000 0.140 0.000 1.196 357 F CB 0.737 39.805 39.000 0.113 0.000 1.053 357 F HN -0.087 nan 8.300 nan 0.000 0.578 358 R N -0.854 119.782 120.500 0.225 0.000 2.765 358 R HA 0.384 4.721 4.340 -0.004 0.000 0.277 358 R C -3.433 172.920 176.300 0.088 0.000 1.028 358 R CA -1.770 54.388 56.100 0.098 0.000 0.860 358 R CB 0.278 30.582 30.300 0.007 0.000 1.270 358 R HN -0.343 nan 8.270 nan 0.000 0.484 359 P HA -0.017 nan 4.420 nan 0.000 0.265 359 P C -0.253 177.063 177.300 0.026 0.000 1.187 359 P CA 0.126 63.241 63.100 0.025 0.000 0.766 359 P CB 0.689 32.382 31.700 -0.012 0.000 0.820 360 S N 1.401 117.127 115.700 0.043 0.000 2.593 360 S HA 0.156 4.623 4.470 -0.004 0.000 0.269 360 S C 0.066 174.677 174.600 0.019 0.000 1.334 360 S CA -0.722 57.519 58.200 0.069 0.000 1.015 360 S CB 0.236 63.498 63.200 0.103 0.000 0.912 360 S HN 0.551 nan 8.310 nan 0.000 0.541 361 E N 1.248 121.472 120.200 0.040 0.000 2.331 361 E HA 0.468 4.816 4.350 -0.004 0.000 0.272 361 E C -2.632 173.909 176.600 -0.099 0.000 1.036 361 E CA -2.134 54.233 56.400 -0.056 0.000 0.864 361 E CB 0.254 29.920 29.700 -0.058 0.000 1.035 361 E HN 0.414 nan 8.360 nan 0.000 0.408 362 P HA 0.128 nan 4.420 nan 0.000 0.282 362 P C -1.029 176.062 177.300 -0.348 0.000 1.249 362 P CA -0.316 62.608 63.100 -0.294 0.000 0.806 362 P CB 0.718 31.938 31.700 -0.799 0.000 0.984 363 H N 2.140 121.210 119.070 0.000 0.000 2.685 363 H HA 0.294 4.848 4.556 -0.004 0.000 0.307 363 H C -0.282 175.151 175.328 0.176 0.000 1.017 363 H CA -0.328 55.808 56.048 0.147 0.000 1.237 363 H CB 0.282 30.161 29.762 0.196 0.000 1.409 363 H HN 0.308 nan 8.280 nan 0.000 0.488 364 F N 1.881 122.009 119.950 0.296 0.000 2.389 364 F HA 0.059 4.583 4.527 -0.004 0.000 0.337 364 F C 1.649 177.641 175.800 0.321 0.000 1.112 364 F CA -0.452 57.732 58.000 0.307 0.000 1.192 364 F CB 0.980 40.093 39.000 0.189 0.000 1.185 364 F HN 0.383 nan 8.300 nan 0.000 0.552 365 T N 0.543 115.399 114.554 0.503 0.000 2.802 365 T HA 0.077 4.425 4.350 -0.004 0.000 0.305 365 T C 1.089 175.985 174.700 0.327 0.000 1.053 365 T CA -0.762 61.572 62.100 0.391 0.000 1.058 365 T CB 0.699 69.784 68.868 0.361 0.000 0.988 365 T HN 0.592 nan 8.240 nan 0.000 0.539 366 L N 1.244 122.613 121.223 0.243 0.000 2.042 366 L HA -0.073 4.265 4.340 -0.004 0.000 0.210 366 L C 2.145 179.123 176.870 0.180 0.000 1.076 366 L CA 2.449 57.405 54.840 0.194 0.000 0.749 366 L CB -1.088 41.061 42.059 0.149 0.000 0.893 366 L HN 0.950 nan 8.230 nan 0.000 0.432 367 D N -1.197 119.310 120.400 0.178 0.000 2.371 367 D HA 0.036 4.673 4.640 -0.004 0.000 0.221 367 D C 1.646 178.049 176.300 0.172 0.000 0.986 367 D CA 0.783 54.877 54.000 0.156 0.000 0.899 367 D CB -0.599 40.282 40.800 0.136 0.000 0.902 367 D HN 0.452 nan 8.370 nan 0.000 0.530 368 G N 0.593 109.533 108.800 0.232 0.000 2.166 368 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.260 368 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.260 368 G C 0.834 175.918 174.900 0.306 0.000 0.986 368 G CA 0.396 45.645 45.100 0.248 0.000 0.683 368 G HN 0.400 nan 8.290 nan 0.000 0.527 369 N N 0.156 119.020 118.700 0.273 0.000 2.280 369 N HA 0.211 4.949 4.740 -0.004 0.000 0.192 369 N C 0.803 176.437 175.510 0.208 0.000 1.109 369 N CA 1.058 54.241 53.050 0.222 0.000 0.855 369 N CB 0.529 39.104 38.487 0.146 0.000 0.974 369 N HN 0.907 nan 8.380 nan 0.000 0.482 370 S N -0.426 115.433 115.700 0.266 0.000 2.615 370 S HA 0.759 5.227 4.470 -0.004 0.000 0.269 370 S C -1.015 173.680 174.600 0.158 0.000 1.161 370 S CA -1.012 57.217 58.200 0.047 0.000 0.817 370 S CB 1.696 64.818 63.200 -0.130 0.000 1.131 370 S HN 0.121 nan 8.310 nan 0.000 0.467 371 F N -1.899 117.877 119.950 -0.290 0.000 2.693 371 F HA 0.827 5.352 4.527 -0.004 0.000 0.309 371 F C -2.192 173.452 175.800 -0.259 0.000 1.129 371 F CA -1.478 56.303 58.000 -0.366 0.000 0.948 371 F CB 0.646 39.031 39.000 -1.025 0.000 1.315 371 F HN 0.607 nan 8.300 nan 0.000 0.447 372 Y N 1.196 121.634 120.300 0.230 0.000 2.409 372 Y HA 0.708 5.255 4.550 -0.004 0.000 0.339 372 Y C -0.237 175.818 175.900 0.258 0.000 1.033 372 Y CA -0.891 57.335 58.100 0.209 0.000 1.094 372 Y CB 2.218 40.764 38.460 0.143 0.000 1.210 372 Y HN 0.736 nan 8.280 nan 0.000 0.456 373 K N 2.775 123.388 120.400 0.356 0.000 2.542 373 K HA 0.513 4.831 4.320 -0.004 0.000 0.259 373 K C -1.754 174.972 176.600 0.210 0.000 0.932 373 K CA -0.580 55.878 56.287 0.285 0.000 0.820 373 K CB 1.662 34.306 32.500 0.239 0.000 1.345 373 K HN 0.716 nan 8.250 nan 0.000 0.432 374 I N 4.996 125.669 120.570 0.172 0.000 2.416 374 I HA 0.209 4.377 4.170 -0.004 0.000 0.288 374 I C -0.167 176.032 176.117 0.137 0.000 1.051 374 I CA -0.376 61.003 61.300 0.133 0.000 1.375 374 I CB 0.507 38.572 38.000 0.109 0.000 1.407 374 I HN 0.355 nan 8.210 nan 0.000 0.516 375 I N 4.643 125.318 120.570 0.174 0.000 2.769 375 I HA 0.178 4.345 4.170 -0.004 0.000 0.298 375 I C 0.081 176.335 176.117 0.228 0.000 1.128 375 I CA -0.637 60.779 61.300 0.193 0.000 1.031 375 I CB 2.055 40.178 38.000 0.205 0.000 1.235 375 I HN 0.383 nan 8.210 nan 0.000 0.423 376 S N 5.190 120.961 115.700 0.118 0.000 2.488 376 S HA 0.191 4.659 4.470 -0.004 0.000 0.278 376 S C 0.382 175.021 174.600 0.065 0.000 1.259 376 S CA -0.404 57.811 58.200 0.025 0.000 1.061 376 S CB -0.222 62.932 63.200 -0.076 0.000 0.910 376 S HN 0.764 nan 8.310 nan 0.000 0.491 377 N N 3.311 121.942 118.700 -0.116 0.000 2.322 377 N HA 0.157 4.894 4.740 -0.004 0.000 0.270 377 N C 0.707 176.097 175.510 -0.201 0.000 1.286 377 N CA -0.711 52.100 53.050 -0.398 0.000 0.948 377 N CB 0.320 38.209 38.487 -0.998 0.000 1.164 377 N HN 0.643 nan 8.380 nan 0.000 0.551 378 E N -0.192 119.879 120.200 -0.216 0.000 2.153 378 E HA -0.170 4.178 4.350 -0.004 0.000 0.194 378 E C 1.039 177.573 176.600 -0.109 0.000 0.988 378 E CA 1.168 57.497 56.400 -0.119 0.000 0.811 378 E CB -0.005 29.634 29.700 -0.101 0.000 0.746 378 E HN 0.600 nan 8.360 nan 0.000 0.466 379 E N -0.743 119.389 120.200 -0.113 0.000 2.511 379 E HA 0.004 4.352 4.350 -0.004 0.000 0.196 379 E C 0.911 177.453 176.600 -0.097 0.000 1.066 379 E CA 0.328 56.703 56.400 -0.042 0.000 0.871 379 E CB 0.416 30.154 29.700 0.063 0.000 0.863 379 E HN 0.372 nan 8.360 nan 0.000 0.520 380 G N 0.982 109.679 108.800 -0.173 0.000 2.141 380 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.242 380 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.242 380 G C -0.338 174.283 174.900 -0.466 0.000 0.982 380 G CA -0.086 44.820 45.100 -0.323 0.000 0.662 380 G HN 0.240 nan 8.290 nan 0.000 0.527 381 Y N 0.296 120.474 120.300 -0.205 0.000 2.342 381 Y HA 0.623 5.171 4.550 -0.004 0.000 0.334 381 Y C 1.201 176.963 175.900 -0.230 0.000 1.067 381 Y CA -0.884 57.084 58.100 -0.221 0.000 1.128 381 Y CB 1.004 39.342 38.460 -0.204 0.000 1.200 381 Y HN 0.070 nan 8.280 nan 0.000 0.464 382 R N 3.831 124.224 120.500 -0.179 0.000 2.248 382 R HA 0.272 4.610 4.340 -0.004 0.000 0.328 382 R C -0.762 175.276 176.300 -0.437 0.000 1.067 382 R CA -0.062 55.931 56.100 -0.178 0.000 0.924 382 R CB 0.139 30.372 30.300 -0.112 0.000 1.013 382 R HN 0.676 nan 8.270 nan 0.000 0.454 383 H N 1.671 120.730 119.070 -0.017 0.000 2.977 383 H HA 0.337 4.890 4.556 -0.004 0.000 0.350 383 H C -0.249 175.136 175.328 0.095 0.000 1.238 383 H CA -0.912 55.105 56.048 -0.052 0.000 1.124 383 H CB 1.654 31.323 29.762 -0.154 0.000 1.866 383 H HN 0.317 nan 8.280 nan 0.000 0.550 384 I N 1.268 121.918 120.570 0.132 0.000 2.416 384 I HA 0.071 4.239 4.170 -0.004 0.000 0.288 384 I C 0.282 176.408 176.117 0.016 0.000 1.051 384 I CA 0.075 61.401 61.300 0.045 0.000 1.375 384 I CB 0.444 38.389 38.000 -0.092 0.000 1.407 384 I HN 0.152 nan 8.210 nan 0.000 0.516 385 c N 6.941 125.491 118.600 -0.084 0.000 2.456 385 c HA 0.469 5.037 4.570 -0.004 0.000 0.325 385 c C -0.570 173.390 174.090 -0.217 0.000 1.217 385 c CA -0.478 55.603 56.329 -0.414 0.000 1.687 385 c CB 1.078 43.102 42.510 -0.810 0.000 2.270 385 c HN 0.639 nan 8.230 nan 0.000 0.499 386 Y N 4.033 124.002 120.300 -0.551 0.000 2.328 386 Y HA 0.685 5.233 4.550 -0.004 0.000 0.337 386 Y C -1.124 174.324 175.900 -0.753 0.000 0.966 386 Y CA -1.075 56.650 58.100 -0.625 0.000 1.136 386 Y CB 0.470 38.631 38.460 -0.498 0.000 1.170 386 Y HN 0.633 nan 8.280 nan 0.000 0.470 387 F N 4.440 123.633 119.950 -1.262 0.000 2.508 387 F HA 0.443 4.968 4.527 -0.004 0.000 0.325 387 F C -0.166 174.894 175.800 -1.232 0.000 1.090 387 F CA -0.963 56.274 58.000 -1.272 0.000 0.945 387 F CB 1.590 39.455 39.000 -1.891 0.000 1.156 387 F HN 0.311 nan 8.300 nan 0.000 0.463 388 Q N 3.334 122.786 119.800 -0.580 0.000 2.259 388 Q HA 0.279 4.617 4.340 -0.004 0.000 0.249 388 Q C 1.251 177.232 176.000 -0.032 0.000 0.914 388 Q CA -0.286 55.335 55.803 -0.304 0.000 0.904 388 Q CB 1.676 30.300 28.738 -0.190 0.000 1.213 388 Q HN 0.873 nan 8.270 nan 0.000 0.428 389 I N -1.251 119.398 120.570 0.131 0.000 2.493 389 I HA -0.149 4.019 4.170 -0.004 0.000 0.254 389 I C 0.719 177.055 176.117 0.364 0.000 1.160 389 I CA 1.375 62.905 61.300 0.383 0.000 1.445 389 I CB -0.121 38.106 38.000 0.379 0.000 1.086 389 I HN 0.370 nan 8.210 nan 0.000 0.433 390 D N 0.700 121.207 120.400 0.178 0.000 2.501 390 D HA 0.207 4.845 4.640 -0.004 0.000 0.226 390 D C -0.014 176.315 176.300 0.049 0.000 1.198 390 D CA -0.252 53.800 54.000 0.087 0.000 0.830 390 D CB 0.053 40.883 40.800 0.050 0.000 1.014 390 D HN 0.372 nan 8.370 nan 0.000 0.496 391 K N 0.374 120.834 120.400 0.100 0.000 2.378 391 K HA 0.279 4.596 4.320 -0.004 0.000 0.252 391 K C 0.544 177.213 176.600 0.116 0.000 0.931 391 K CA -0.830 55.484 56.287 0.046 0.000 0.794 391 K CB 2.266 34.754 32.500 -0.020 0.000 1.181 391 K HN -0.304 nan 8.250 nan 0.000 0.425 392 K N 0.589 121.017 120.400 0.047 0.000 2.186 392 K HA 0.044 4.362 4.320 -0.004 0.000 0.202 392 K C -0.028 176.612 176.600 0.066 0.000 1.052 392 K CA 1.016 57.358 56.287 0.091 0.000 0.965 392 K CB 0.166 32.675 32.500 0.015 0.000 0.746 392 K HN 0.568 nan 8.250 nan 0.000 0.457 393 D N 1.382 121.756 120.400 -0.045 0.000 2.277 393 D HA 0.063 4.701 4.640 -0.004 0.000 0.249 393 D C 0.456 176.557 176.300 -0.330 0.000 1.134 393 D CA -0.207 53.708 54.000 -0.143 0.000 0.863 393 D CB 1.178 41.912 40.800 -0.109 0.000 1.143 393 D HN 0.160 nan 8.370 nan 0.000 0.458 394 c N 0.789 119.034 118.600 -0.591 0.000 2.354 394 c HA 0.783 5.351 4.570 -0.004 0.000 0.381 394 c C 0.310 174.025 174.090 -0.625 0.000 1.240 394 c CA -0.534 55.227 56.329 -0.946 0.000 2.089 394 c CB 1.019 42.337 42.510 -1.986 0.000 2.234 394 c HN 0.473 nan 8.230 nan 0.000 0.544 395 T N 1.646 115.860 114.554 -0.567 0.000 2.786 395 T HA 0.469 4.817 4.350 -0.004 0.000 0.283 395 T C -0.757 173.743 174.700 -0.334 0.000 0.992 395 T CA 0.167 62.090 62.100 -0.294 0.000 0.954 395 T CB 0.319 69.139 68.868 -0.079 0.000 0.934 395 T HN 0.479 nan 8.240 nan 0.000 0.440 396 F N 3.434 123.281 119.950 -0.172 0.000 2.504 396 F HA 0.252 4.777 4.527 -0.004 0.000 0.369 396 F C 1.620 177.289 175.800 -0.219 0.000 1.082 396 F CA -0.658 57.230 58.000 -0.185 0.000 1.216 396 F CB 0.467 39.353 39.000 -0.189 0.000 1.108 396 F HN 0.589 nan 8.300 nan 0.000 0.554 397 I N -0.394 120.088 120.570 -0.147 0.000 4.057 397 I HA 0.212 4.379 4.170 -0.004 0.000 0.334 397 I C 0.286 176.250 176.117 -0.256 0.000 1.308 397 I CA 0.124 61.164 61.300 -0.434 0.000 1.125 397 I CB 0.106 37.529 38.000 -0.962 0.000 1.034 397 I HN 0.498 nan 8.210 nan 0.000 0.401 398 T N 0.287 114.755 114.554 -0.143 0.000 2.916 398 T HA 0.692 5.040 4.350 -0.004 0.000 0.292 398 T C -0.610 173.778 174.700 -0.519 0.000 1.055 398 T CA -0.672 61.337 62.100 -0.152 0.000 1.009 398 T CB 2.593 71.458 68.868 -0.005 0.000 1.118 398 T HN 0.492 nan 8.240 nan 0.000 0.497 399 K N -0.346 119.608 120.400 -0.743 0.000 2.607 399 K HA 0.764 5.082 4.320 -0.004 0.000 0.287 399 K C -0.478 175.543 176.600 -0.965 0.000 0.996 399 K CA -0.877 54.640 56.287 -1.284 0.000 0.876 399 K CB 1.364 33.472 32.500 -0.653 0.000 1.496 399 K HN 1.575 nan 8.250 nan 0.000 0.415 400 G N -0.065 108.170 108.800 -0.942 0.000 2.347 400 G HA2 0.081 4.038 3.960 -0.004 0.000 0.477 400 G HA3 0.081 4.038 3.960 -0.004 0.000 0.477 400 G C -0.840 173.536 174.900 -0.873 0.000 1.349 400 G CA -0.352 44.367 45.100 -0.635 0.000 1.000 400 G HN 1.031 nan 8.290 nan 0.000 0.605 401 T N -0.441 113.716 114.554 -0.661 0.000 3.855 401 T HA 0.586 4.934 4.350 -0.004 0.000 0.306 401 T C 0.162 174.602 174.700 -0.432 0.000 1.575 401 T CA 0.502 61.959 62.100 -1.071 0.000 1.214 401 T CB -0.886 67.592 68.868 -0.650 0.000 1.262 401 T HN 1.564 nan 8.240 nan 0.000 0.883 402 W N -0.078 121.010 121.300 -0.353 0.000 2.895 402 W HA 0.619 5.276 4.660 -0.004 0.000 0.377 402 W C -1.539 174.951 176.519 -0.049 0.000 1.191 402 W CA -0.968 56.331 57.345 -0.076 0.000 1.179 402 W CB 0.587 30.007 29.460 -0.066 0.000 1.469 402 W HN 0.233 nan 8.180 nan 0.000 0.577 403 E N 0.833 121.193 120.200 0.266 0.000 2.317 403 E HA 0.443 4.791 4.350 -0.004 0.000 0.270 403 E C -1.062 175.646 176.600 0.180 0.000 0.885 403 E CA -1.171 55.206 56.400 -0.039 0.000 0.760 403 E CB 3.357 33.081 29.700 0.040 0.000 1.227 403 E HN 0.164 nan 8.360 nan 0.000 0.434 404 V N 3.647 123.538 119.914 -0.039 0.000 2.508 404 V HA -0.008 4.110 4.120 -0.004 0.000 0.281 404 V C 1.183 177.359 176.094 0.136 0.000 1.041 404 V CA 0.106 62.470 62.300 0.107 0.000 1.016 404 V CB 0.409 32.195 31.823 -0.062 0.000 0.984 404 V HN 0.687 nan 8.190 nan 0.000 0.478 405 I N 3.046 123.729 120.570 0.188 0.000 2.429 405 I HA 0.287 4.455 4.170 -0.004 0.000 0.247 405 I C 1.119 177.348 176.117 0.187 0.000 1.099 405 I CA 1.190 62.598 61.300 0.180 0.000 1.422 405 I CB -0.669 37.386 38.000 0.092 0.000 1.112 405 I HN 0.739 nan 8.210 nan 0.000 0.430 406 G N 0.745 109.657 108.800 0.186 0.000 2.720 406 G HA2 0.592 4.549 3.960 -0.004 0.000 0.295 406 G HA3 0.592 4.549 3.960 -0.004 0.000 0.295 406 G C -1.296 173.701 174.900 0.162 0.000 1.437 406 G CA -0.483 44.724 45.100 0.177 0.000 0.886 406 G HN -0.038 nan 8.290 nan 0.000 0.509 407 I N 1.395 122.004 120.570 0.065 0.000 2.342 407 I HA 0.284 4.452 4.170 -0.004 0.000 0.291 407 I C 0.601 176.679 176.117 -0.064 0.000 1.010 407 I CA -0.531 60.715 61.300 -0.091 0.000 1.308 407 I CB 1.831 39.532 38.000 -0.498 0.000 1.400 407 I HN 0.494 nan 8.210 nan 0.000 0.488 408 E N 4.676 124.892 120.200 0.027 0.000 2.330 408 E HA 0.363 4.710 4.350 -0.004 0.000 0.200 408 E C 0.031 176.613 176.600 -0.030 0.000 0.922 408 E CA 0.201 56.664 56.400 0.105 0.000 0.935 408 E CB 1.015 30.860 29.700 0.243 0.000 0.917 408 E HN 0.666 nan 8.360 nan 0.000 0.491 409 A N 0.671 123.387 122.820 -0.174 0.000 2.605 409 A HA 0.615 4.933 4.320 -0.004 0.000 0.294 409 A C -1.992 175.538 177.584 -0.091 0.000 1.062 409 A CA -0.623 51.234 52.037 -0.300 0.000 0.682 409 A CB 1.304 19.672 19.000 -1.053 0.000 1.278 409 A HN 0.038 nan 8.150 nan 0.000 0.410 410 L N 1.510 122.711 121.223 -0.036 0.000 2.439 410 L HA 0.792 5.129 4.340 -0.004 0.000 0.270 410 L C 0.219 177.120 176.870 0.051 0.000 0.972 410 L CA 0.452 55.298 54.840 0.010 0.000 0.836 410 L CB 2.020 44.108 42.059 0.048 0.000 1.255 410 L HN 1.172 nan 8.230 nan 0.000 0.404 411 T N -0.233 114.365 114.554 0.072 0.000 2.919 411 T HA 0.404 4.752 4.350 -0.004 0.000 0.282 411 T C 1.144 175.880 174.700 0.059 0.000 1.020 411 T CA 0.069 62.220 62.100 0.086 0.000 0.994 411 T CB 1.125 70.075 68.868 0.138 0.000 1.180 411 T HN 0.656 nan 8.240 nan 0.000 0.566 412 S N -0.221 115.514 115.700 0.059 0.000 2.419 412 S HA -0.111 4.357 4.470 -0.004 0.000 0.235 412 S C 0.806 175.384 174.600 -0.037 0.000 1.019 412 S CA 1.312 59.532 58.200 0.035 0.000 0.982 412 S CB -0.539 62.685 63.200 0.040 0.000 0.789 412 S HN 0.749 nan 8.310 nan 0.000 0.490 413 D N -1.058 119.292 120.400 -0.083 0.000 2.473 413 D HA 0.289 4.927 4.640 -0.004 0.000 0.230 413 D C -0.559 175.353 176.300 -0.646 0.000 1.097 413 D CA 0.328 54.133 54.000 -0.325 0.000 0.861 413 D CB 0.338 40.952 40.800 -0.310 0.000 1.114 413 D HN 0.449 nan 8.370 nan 0.000 0.500 414 Y N 0.129 120.358 120.300 -0.119 0.000 2.512 414 Y HA 0.484 5.032 4.550 -0.004 0.000 0.348 414 Y C -0.603 175.101 175.900 -0.326 0.000 0.990 414 Y CA -1.069 56.867 58.100 -0.274 0.000 1.033 414 Y CB 2.663 40.856 38.460 -0.444 0.000 1.259 414 Y HN -0.269 nan 8.280 nan 0.000 0.461 415 L N 3.151 124.238 121.223 -0.226 0.000 2.322 415 L HA 0.609 4.947 4.340 -0.004 0.000 0.281 415 L C -1.836 174.893 176.870 -0.235 0.000 1.014 415 L CA -0.646 54.050 54.840 -0.240 0.000 0.815 415 L CB 0.943 42.779 42.059 -0.373 0.000 1.247 415 L HN 0.621 nan 8.230 nan 0.000 0.421 416 Y N 4.830 125.074 120.300 -0.093 0.000 2.352 416 Y HA 0.536 5.084 4.550 -0.004 0.000 0.339 416 Y C -0.539 175.376 175.900 0.024 0.000 0.992 416 Y CA -0.400 57.642 58.100 -0.097 0.000 1.100 416 Y CB 1.377 39.700 38.460 -0.229 0.000 1.192 416 Y HN 0.529 nan 8.280 nan 0.000 0.458 417 Y N 1.050 121.418 120.300 0.112 0.000 2.597 417 Y HA 0.780 5.328 4.550 -0.004 0.000 0.340 417 Y C -1.747 174.239 175.900 0.145 0.000 1.097 417 Y CA -1.831 56.324 58.100 0.091 0.000 1.037 417 Y CB 1.107 39.594 38.460 0.045 0.000 1.305 417 Y HN 0.291 nan 8.280 nan 0.000 0.463 418 I N 3.107 123.839 120.570 0.270 0.000 2.437 418 I HA 0.621 4.789 4.170 -0.004 0.000 0.298 418 I C -0.021 176.287 176.117 0.318 0.000 0.984 418 I CA -0.282 61.129 61.300 0.186 0.000 1.214 418 I CB 1.611 39.671 38.000 0.101 0.000 1.365 418 I HN 0.909 nan 8.210 nan 0.000 0.469 419 S N 3.491 119.348 115.700 0.262 0.000 2.656 419 S HA 0.410 4.878 4.470 -0.004 0.000 0.273 419 S C -0.367 174.298 174.600 0.108 0.000 1.168 419 S CA -0.800 57.538 58.200 0.231 0.000 0.817 419 S CB 1.844 65.201 63.200 0.262 0.000 1.146 419 S HN 0.604 nan 8.310 nan 0.000 0.475 420 N N -0.310 118.446 118.700 0.093 0.000 2.320 420 N HA 0.143 4.881 4.740 -0.004 0.000 0.237 420 N C 0.626 176.122 175.510 -0.023 0.000 1.129 420 N CA -0.170 52.894 53.050 0.024 0.000 0.854 420 N CB 0.194 38.681 38.487 0.000 0.000 1.083 420 N HN 0.804 nan 8.380 nan 0.000 0.504 421 E N -0.090 119.957 120.200 -0.256 0.000 2.077 421 E HA -0.223 4.125 4.350 -0.004 0.000 0.193 421 E C -0.366 176.093 176.600 -0.236 0.000 0.989 421 E CA 0.443 56.452 56.400 -0.652 0.000 0.800 421 E CB -0.098 28.634 29.700 -1.615 0.000 0.746 421 E HN 0.432 nan 8.360 nan 0.000 0.452 422 Y N 1.881 122.090 120.300 -0.151 0.000 2.729 422 Y HA -0.117 4.431 4.550 -0.004 0.000 0.331 422 Y C 0.391 176.259 175.900 -0.054 0.000 1.208 422 Y CA 0.869 58.930 58.100 -0.065 0.000 1.521 422 Y CB 0.077 38.527 38.460 -0.016 0.000 1.233 422 Y HN 0.073 nan 8.280 nan 0.000 0.539 423 K N 3.560 123.671 120.400 -0.481 0.000 3.193 423 K HA -0.250 4.068 4.320 -0.004 0.000 0.294 423 K C 0.834 177.364 176.600 -0.116 0.000 1.185 423 K CA 0.829 56.896 56.287 -0.366 0.000 0.866 423 K CB -1.747 30.471 32.500 -0.470 0.000 1.227 423 K HN 1.275 nan 8.250 nan 0.000 0.467 424 G N 0.633 109.383 108.800 -0.083 0.000 2.283 424 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.280 424 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.280 424 G C -0.010 174.886 174.900 -0.007 0.000 1.029 424 G CA 0.840 45.940 45.100 -0.001 0.000 0.840 424 G HN 0.330 nan 8.290 nan 0.000 0.505 425 M N 0.176 119.705 119.600 -0.119 0.000 2.055 425 M HA 0.266 4.744 4.480 -0.004 0.000 0.347 425 M C -1.280 174.795 176.300 -0.376 0.000 1.123 425 M CA -2.097 52.980 55.300 -0.372 0.000 1.035 425 M CB 1.778 34.237 32.600 -0.235 0.000 1.484 425 M HN -0.123 nan 8.290 nan 0.000 0.428 426 P HA -0.037 nan 4.420 nan 0.000 0.226 426 P C 1.093 178.253 177.300 -0.233 0.000 1.153 426 P CA 0.879 63.810 63.100 -0.282 0.000 0.777 426 P CB 0.184 31.714 31.700 -0.283 0.000 0.794 427 G N -0.952 107.650 108.800 -0.331 0.000 3.284 427 G HA2 0.326 4.284 3.960 -0.004 0.000 0.236 427 G HA3 0.326 4.284 3.960 -0.004 0.000 0.236 427 G C 0.576 175.478 174.900 0.004 0.000 1.158 427 G CA 0.017 45.045 45.100 -0.120 0.000 0.774 427 G HN 0.380 nan 8.290 nan 0.000 0.545 428 G N -0.163 108.588 108.800 -0.081 0.000 2.489 428 G HA2 0.663 4.620 3.960 -0.004 0.000 0.327 428 G HA3 0.663 4.620 3.960 -0.004 0.000 0.327 428 G C -0.895 173.884 174.900 -0.202 0.000 1.189 428 G CA -0.781 44.294 45.100 -0.041 0.000 0.962 428 G HN 0.082 nan 8.290 nan 0.000 0.486 429 R N 1.028 121.362 120.500 -0.276 0.000 2.533 429 R HA 0.426 4.764 4.340 -0.004 0.000 0.288 429 R C -1.264 174.990 176.300 -0.076 0.000 1.039 429 R CA -0.791 55.128 56.100 -0.301 0.000 0.909 429 R CB 2.078 31.967 30.300 -0.685 0.000 1.195 429 R HN 0.606 nan 8.270 nan 0.000 0.438 430 N N 1.479 120.153 118.700 -0.044 0.000 2.357 430 N HA 0.385 5.123 4.740 -0.004 0.000 0.284 430 N C -1.272 174.085 175.510 -0.256 0.000 1.236 430 N CA -0.831 52.101 53.050 -0.196 0.000 0.774 430 N CB 2.678 40.934 38.487 -0.385 0.000 1.534 430 N HN 0.238 nan 8.380 nan 0.000 0.478 431 L N 1.798 122.721 121.223 -0.501 0.000 2.289 431 L HA 0.493 4.830 4.340 -0.004 0.000 0.285 431 L C -1.399 175.055 176.870 -0.695 0.000 1.049 431 L CA -0.059 54.521 54.840 -0.433 0.000 0.804 431 L CB 0.125 41.936 42.059 -0.413 0.000 1.195 431 L HN 0.424 nan 8.230 nan 0.000 0.428 432 Y N 3.361 123.309 120.300 -0.587 0.000 2.602 432 Y HA 0.593 5.141 4.550 -0.004 0.000 0.342 432 Y C -0.387 175.167 175.900 -0.577 0.000 1.029 432 Y CA -0.867 56.832 58.100 -0.668 0.000 1.080 432 Y CB 1.720 39.570 38.460 -1.018 0.000 1.284 432 Y HN 0.456 nan 8.280 nan 0.000 0.485 433 K N 2.577 122.826 120.400 -0.251 0.000 2.507 433 K HA 0.613 4.931 4.320 -0.004 0.000 0.252 433 K C -1.981 174.567 176.600 -0.087 0.000 0.943 433 K CA -0.547 55.536 56.287 -0.341 0.000 0.808 433 K CB 1.667 33.898 32.500 -0.448 0.000 1.142 433 K HN 0.787 nan 8.250 nan 0.000 0.426 434 I N 3.135 123.714 120.570 0.015 0.000 2.465 434 I HA 0.226 4.394 4.170 -0.004 0.000 0.291 434 I C -0.660 175.550 176.117 0.155 0.000 1.014 434 I CA -0.637 60.747 61.300 0.139 0.000 1.093 434 I CB 1.813 39.918 38.000 0.175 0.000 1.267 434 I HN 0.702 nan 8.210 nan 0.000 0.431 435 Q N 5.982 125.875 119.800 0.155 0.000 2.286 435 Q HA 0.204 4.542 4.340 -0.004 0.000 0.267 435 Q C 0.269 176.222 176.000 -0.079 0.000 1.028 435 Q CA -0.134 55.614 55.803 -0.093 0.000 0.901 435 Q CB 1.197 29.916 28.738 -0.032 0.000 1.183 435 Q HN 0.828 nan 8.270 nan 0.000 0.392 436 L N 2.336 123.433 121.223 -0.210 0.000 2.156 436 L HA -0.134 4.204 4.340 -0.004 0.000 0.208 436 L C 2.157 178.929 176.870 -0.164 0.000 1.095 436 L CA 1.149 55.950 54.840 -0.065 0.000 0.770 436 L CB -0.251 41.740 42.059 -0.113 0.000 0.914 436 L HN 0.673 nan 8.230 nan 0.000 0.439 437 S N -2.342 113.225 115.700 -0.222 0.000 2.562 437 S HA -0.044 4.424 4.470 -0.004 0.000 0.221 437 S C 0.465 174.902 174.600 -0.270 0.000 0.975 437 S CA 0.102 58.161 58.200 -0.236 0.000 0.918 437 S CB -0.008 63.087 63.200 -0.175 0.000 0.772 437 S HN 0.355 nan 8.310 nan 0.000 0.531 438 D N -0.189 120.068 120.400 -0.239 0.000 2.319 438 D HA 0.215 4.853 4.640 -0.004 0.000 0.237 438 D C -0.501 175.773 176.300 -0.044 0.000 1.353 438 D CA -0.594 53.296 54.000 -0.184 0.000 0.992 438 D CB 0.118 40.862 40.800 -0.093 0.000 1.368 438 D HN -0.029 nan 8.370 nan 0.000 0.564 439 Y N 0.951 121.233 120.300 -0.030 0.000 2.574 439 Y HA -0.077 4.471 4.550 -0.004 0.000 0.294 439 Y C 2.554 178.462 175.900 0.013 0.000 1.142 439 Y CA 1.385 59.479 58.100 -0.011 0.000 1.314 439 Y CB -0.857 37.596 38.460 -0.011 0.000 0.991 439 Y HN 0.434 nan 8.280 nan 0.000 0.555 440 T N -2.855 111.780 114.554 0.134 0.000 3.072 440 T HA -0.032 4.315 4.350 -0.004 0.000 0.266 440 T C 0.709 175.460 174.700 0.086 0.000 1.127 440 T CA 0.334 62.490 62.100 0.093 0.000 1.107 440 T CB -0.085 68.813 68.868 0.050 0.000 0.910 440 T HN -0.123 nan 8.240 nan 0.000 0.513 441 K N 2.429 122.884 120.400 0.092 0.000 2.244 441 K HA 0.518 4.836 4.320 -0.004 0.000 0.263 441 K C -1.152 175.517 176.600 0.115 0.000 1.103 441 K CA -0.307 56.033 56.287 0.088 0.000 0.966 441 K CB 1.239 33.787 32.500 0.079 0.000 1.429 441 K HN 0.171 nan 8.250 nan 0.000 0.434 442 V N 2.415 122.392 119.914 0.105 0.000 2.487 442 V HA 0.334 4.451 4.120 -0.004 0.000 0.298 442 V C -0.095 176.050 176.094 0.085 0.000 1.028 442 V CA -0.706 61.666 62.300 0.120 0.000 0.860 442 V CB 2.061 33.978 31.823 0.157 0.000 0.991 442 V HN 0.557 nan 8.190 nan 0.000 0.427 443 T N 3.319 117.893 114.554 0.034 0.000 2.807 443 T HA 0.268 4.616 4.350 -0.004 0.000 0.279 443 T C -0.415 174.215 174.700 -0.117 0.000 0.993 443 T CA -0.273 61.803 62.100 -0.040 0.000 0.970 443 T CB 1.358 70.166 68.868 -0.100 0.000 0.950 443 T HN 0.756 nan 8.240 nan 0.000 0.441 444 C N 5.136 124.307 119.300 -0.215 0.000 2.373 444 C HA 0.367 4.825 4.460 -0.004 0.000 0.354 444 C C 1.460 176.140 174.990 -0.517 0.000 1.249 444 C CA -0.595 58.050 59.018 -0.623 0.000 1.784 444 C CB -1.541 25.764 27.740 -0.725 0.000 2.408 444 C HN 0.834 nan 8.230 nan 0.000 0.542 445 L N 4.787 125.664 121.223 -0.576 0.000 2.341 445 L HA 0.084 4.422 4.340 -0.004 0.000 0.214 445 L C 2.396 178.955 176.870 -0.518 0.000 1.115 445 L CA 1.746 56.325 54.840 -0.436 0.000 0.820 445 L CB -0.369 41.459 42.059 -0.386 0.000 0.944 445 L HN 0.893 nan 8.230 nan 0.000 0.452 446 S N -4.390 110.885 115.700 -0.709 0.000 2.589 446 S HA -0.018 4.450 4.470 -0.004 0.000 0.235 446 S C 1.979 176.179 174.600 -0.668 0.000 1.051 446 S CA 0.125 57.805 58.200 -0.866 0.000 0.978 446 S CB -0.647 61.625 63.200 -1.546 0.000 0.929 446 S HN 0.263 nan 8.310 nan 0.000 0.523 447 C N 2.597 121.485 119.300 -0.687 0.000 2.401 447 C HA 0.023 4.481 4.460 -0.004 0.000 0.276 447 C C 2.168 176.847 174.990 -0.518 0.000 1.233 447 C CA 0.981 59.502 59.018 -0.828 0.000 1.753 447 C CB -0.801 26.211 27.740 -1.213 0.000 2.029 447 C HN 0.602 nan 8.230 nan 0.000 0.478 448 E N 0.045 120.043 120.200 -0.337 0.000 2.538 448 E HA 0.202 4.550 4.350 -0.004 0.000 0.207 448 E C 1.777 178.322 176.600 -0.091 0.000 1.002 448 E CA -0.089 56.217 56.400 -0.156 0.000 0.952 448 E CB -0.143 29.489 29.700 -0.113 0.000 1.031 448 E HN 0.632 nan 8.360 nan 0.000 0.476 449 L N 0.593 121.756 121.223 -0.100 0.000 1.994 449 L HA -0.092 4.246 4.340 -0.004 0.000 0.208 449 L C 0.676 177.553 176.870 0.012 0.000 1.071 449 L CA 1.130 55.951 54.840 -0.032 0.000 0.745 449 L CB -0.078 41.975 42.059 -0.009 0.000 0.892 449 L HN 0.045 nan 8.230 nan 0.000 0.431 450 N N -1.021 117.702 118.700 0.038 0.000 2.751 450 N HA 0.134 4.871 4.740 -0.004 0.000 0.234 450 N C -2.153 173.377 175.510 0.033 0.000 1.403 450 N CA -0.582 52.483 53.050 0.026 0.000 0.747 450 N CB 1.557 40.053 38.487 0.015 0.000 1.326 450 N HN -0.026 nan 8.380 nan 0.000 0.532 451 P HA -0.142 nan 4.420 nan 0.000 0.221 451 P C 1.274 178.615 177.300 0.069 0.000 1.150 451 P CA 1.276 64.420 63.100 0.073 0.000 0.800 451 P CB 0.492 32.253 31.700 0.102 0.000 0.787 452 E N 1.245 121.468 120.200 0.039 0.000 2.072 452 E HA -0.191 4.157 4.350 -0.004 0.000 0.190 452 E C 2.142 178.743 176.600 0.003 0.000 0.982 452 E CA 1.136 57.550 56.400 0.024 0.000 0.803 452 E CB -0.970 28.737 29.700 0.012 0.000 0.755 452 E HN 0.234 nan 8.360 nan 0.000 0.453 453 R N -0.249 120.240 120.500 -0.018 0.000 2.173 453 R HA 0.123 4.461 4.340 -0.004 0.000 0.208 453 R C -0.106 176.145 176.300 -0.081 0.000 1.035 453 R CA 0.707 56.773 56.100 -0.056 0.000 1.004 453 R CB 0.337 30.594 30.300 -0.071 0.000 0.917 453 R HN 0.124 nan 8.270 nan 0.000 0.462 454 c N 0.862 119.423 118.600 -0.065 0.000 2.407 454 c HA 0.399 4.967 4.570 -0.004 0.000 0.328 454 c C -0.031 174.023 174.090 -0.060 0.000 1.137 454 c CA -0.686 55.545 56.329 -0.162 0.000 1.390 454 c CB 1.375 43.758 42.510 -0.212 0.000 1.989 454 c HN 0.525 nan 8.230 nan 0.000 0.432 455 Q N 0.470 120.232 119.800 -0.064 0.000 2.113 455 Q HA 0.189 4.526 4.340 -0.004 0.000 0.225 455 Q C -0.896 175.157 176.000 0.088 0.000 0.786 455 Q CA 0.086 55.932 55.803 0.071 0.000 0.989 455 Q CB 1.437 30.240 28.738 0.108 0.000 1.174 455 Q HN 0.776 nan 8.270 nan 0.000 0.470 456 Y N 0.494 120.686 120.300 -0.180 0.000 2.349 456 Y HA 0.388 4.936 4.550 -0.004 0.000 0.324 456 Y C -1.560 174.195 175.900 -0.242 0.000 1.005 456 Y CA -1.048 56.976 58.100 -0.127 0.000 1.240 456 Y CB 0.777 39.173 38.460 -0.107 0.000 1.117 456 Y HN -0.083 nan 8.280 nan 0.000 0.463 457 Y N 2.317 122.563 120.300 -0.090 0.000 2.509 457 Y HA 0.673 5.220 4.550 -0.004 0.000 0.341 457 Y C 0.236 176.095 175.900 -0.069 0.000 1.038 457 Y CA -0.578 57.478 58.100 -0.073 0.000 1.089 457 Y CB 2.244 40.621 38.460 -0.140 0.000 1.241 457 Y HN 0.532 nan 8.280 nan 0.000 0.468 458 S N 0.554 116.350 115.700 0.161 0.000 2.667 458 S HA 0.867 5.334 4.470 -0.004 0.000 0.292 458 S C -1.537 173.124 174.600 0.103 0.000 1.126 458 S CA -0.834 57.437 58.200 0.119 0.000 0.881 458 S CB 1.910 65.191 63.200 0.135 0.000 1.132 458 S HN 0.567 nan 8.310 nan 0.000 0.492 459 V N 0.216 120.181 119.914 0.084 0.000 3.007 459 V HA 0.843 4.961 4.120 -0.004 0.000 0.311 459 V C -1.223 174.917 176.094 0.077 0.000 1.120 459 V CA -0.320 61.988 62.300 0.014 0.000 0.980 459 V CB 2.332 34.071 31.823 -0.139 0.000 1.033 459 V HN 1.140 nan 8.190 nan 0.000 0.429 460 S N 4.944 120.681 115.700 0.062 0.000 2.756 460 S HA 0.664 5.131 4.470 -0.004 0.000 0.303 460 S C -1.173 173.530 174.600 0.170 0.000 1.135 460 S CA -0.375 57.957 58.200 0.221 0.000 1.066 460 S CB 0.414 63.814 63.200 0.333 0.000 1.008 460 S HN 0.492 nan 8.310 nan 0.000 0.482 461 F N 3.223 123.229 119.950 0.094 0.000 2.379 461 F HA 0.425 4.950 4.527 -0.004 0.000 0.332 461 F C 1.418 176.869 175.800 -0.581 0.000 1.096 461 F CA -0.191 57.711 58.000 -0.164 0.000 1.105 461 F CB 1.479 40.367 39.000 -0.187 0.000 1.189 461 F HN 0.650 nan 8.300 nan 0.000 0.515 462 S N 2.379 117.537 115.700 -0.902 0.000 2.626 462 S HA 0.158 4.626 4.470 -0.004 0.000 0.257 462 S C 1.166 175.566 174.600 -0.333 0.000 1.288 462 S CA -0.728 56.719 58.200 -1.254 0.000 0.980 462 S CB 0.739 63.247 63.200 -1.152 0.000 0.975 462 S HN 0.570 nan 8.310 nan 0.000 0.577 463 K N 0.617 120.942 120.400 -0.124 0.000 2.147 463 K HA -0.004 4.314 4.320 -0.004 0.000 0.205 463 K C 0.694 177.307 176.600 0.021 0.000 1.049 463 K CA 1.184 57.485 56.287 0.024 0.000 0.936 463 K CB -0.275 32.281 32.500 0.093 0.000 0.722 463 K HN 0.650 nan 8.250 nan 0.000 0.446 464 E N -0.544 119.657 120.200 0.003 0.000 2.685 464 E HA 0.225 4.573 4.350 -0.004 0.000 0.208 464 E C -0.078 176.503 176.600 -0.032 0.000 0.996 464 E CA -0.146 56.259 56.400 0.008 0.000 1.054 464 E CB 0.674 30.394 29.700 0.034 0.000 1.075 464 E HN 0.182 nan 8.360 nan 0.000 0.460 465 A N 1.338 124.121 122.820 -0.062 0.000 2.860 465 A HA -0.315 4.002 4.320 -0.004 0.000 0.267 465 A C 1.510 179.075 177.584 -0.033 0.000 1.421 465 A CA 1.676 53.680 52.037 -0.055 0.000 0.831 465 A CB -2.050 16.791 19.000 -0.267 0.000 1.041 465 A HN 0.286 nan 8.150 nan 0.000 0.623 466 K N -1.773 118.560 120.400 -0.111 0.000 2.167 466 K HA 0.097 4.415 4.320 -0.004 0.000 0.203 466 K C 0.102 176.325 176.600 -0.627 0.000 1.052 466 K CA 1.394 57.499 56.287 -0.303 0.000 0.956 466 K CB 0.001 32.337 32.500 -0.273 0.000 0.735 466 K HN 0.686 nan 8.250 nan 0.000 0.451 467 Y N -0.917 119.321 120.300 -0.102 0.000 2.576 467 Y HA 0.323 4.871 4.550 -0.003 0.000 0.346 467 Y C -0.983 174.843 175.900 -0.123 0.000 1.018 467 Y CA -1.396 56.632 58.100 -0.120 0.000 1.050 467 Y CB 1.608 40.010 38.460 -0.097 0.000 1.280 467 Y HN -0.053 nan 8.280 nan 0.000 0.474 468 Y N -1.053 119.225 120.300 -0.037 0.000 2.504 468 Y HA 0.527 5.074 4.550 -0.004 0.000 0.344 468 Y C -1.086 174.833 175.900 0.031 0.000 1.023 468 Y CA -1.505 56.432 58.100 -0.270 0.000 1.020 468 Y CB 1.431 39.295 38.460 -0.993 0.000 1.282 468 Y HN 0.596 nan 8.280 nan 0.000 0.454 469 Q N 3.959 123.888 119.800 0.215 0.000 2.278 469 Q HA 0.517 4.855 4.340 -0.004 0.000 0.257 469 Q C -1.610 174.480 176.000 0.150 0.000 0.928 469 Q CA -0.624 55.275 55.803 0.160 0.000 0.932 469 Q CB 1.128 29.933 28.738 0.112 0.000 1.221 469 Q HN 0.961 nan 8.270 nan 0.000 0.434 470 L N 4.092 125.425 121.223 0.185 0.000 2.307 470 L HA 0.496 4.834 4.340 -0.004 0.000 0.282 470 L C -0.566 176.371 176.870 0.111 0.000 1.051 470 L CA -0.700 54.237 54.840 0.160 0.000 0.804 470 L CB 1.227 43.378 42.059 0.153 0.000 1.197 470 L HN 0.579 nan 8.230 nan 0.000 0.431 471 R N 2.163 122.703 120.500 0.067 0.000 2.388 471 R HA 0.316 4.654 4.340 -0.004 0.000 0.314 471 R C -0.978 175.172 176.300 -0.250 0.000 0.959 471 R CA -0.308 55.672 56.100 -0.200 0.000 0.851 471 R CB 1.367 31.621 30.300 -0.077 0.000 1.168 471 R HN 0.558 nan 8.270 nan 0.000 0.472 472 c N 2.132 120.449 118.600 -0.472 0.000 2.285 472 c HA 0.429 4.997 4.570 -0.004 0.000 0.335 472 c C 0.855 174.701 174.090 -0.405 0.000 1.267 472 c CA -0.254 55.705 56.329 -0.617 0.000 1.762 472 c CB 0.258 42.354 42.510 -0.690 0.000 2.365 472 c HN 0.937 nan 8.230 nan 0.000 0.527 473 S N 3.149 118.703 115.700 -0.243 0.000 2.524 473 S HA 0.506 4.973 4.470 -0.004 0.000 0.215 473 S C 0.641 175.181 174.600 -0.099 0.000 0.986 473 S CA 0.520 58.637 58.200 -0.138 0.000 0.911 473 S CB 0.192 63.335 63.200 -0.094 0.000 0.805 473 S HN 1.393 nan 8.310 nan 0.000 0.501 474 G N 1.399 110.129 108.800 -0.116 0.000 2.321 474 G HA2 0.265 4.222 3.960 -0.004 0.000 0.298 474 G HA3 0.265 4.222 3.960 -0.004 0.000 0.298 474 G C -3.137 171.732 174.900 -0.051 0.000 1.385 474 G CA -0.666 44.405 45.100 -0.050 0.000 0.856 474 G HN -0.178 nan 8.290 nan 0.000 0.584 475 P HA 0.192 nan 4.420 nan 0.000 0.245 475 P C 1.264 178.583 177.300 0.031 0.000 1.203 475 P CA 1.085 64.206 63.100 0.034 0.000 0.792 475 P CB 0.761 32.483 31.700 0.036 0.000 0.997 476 G N 0.458 109.207 108.800 -0.085 0.000 2.510 476 G HA2 0.416 4.374 3.960 -0.004 0.000 0.280 476 G HA3 0.416 4.374 3.960 -0.004 0.000 0.280 476 G C -0.377 174.267 174.900 -0.427 0.000 1.386 476 G CA -0.727 44.247 45.100 -0.210 0.000 1.047 476 G HN 0.017 nan 8.290 nan 0.000 0.527 477 L N 1.473 122.379 121.223 -0.528 0.000 2.453 477 L HA 0.178 4.516 4.340 -0.004 0.000 0.272 477 L C -1.828 174.862 176.870 -0.299 0.000 1.182 477 L CA -1.323 53.164 54.840 -0.589 0.000 0.858 477 L CB 0.761 42.563 42.059 -0.428 0.000 1.120 477 L HN 0.236 nan 8.230 nan 0.000 0.474 478 P HA -0.008 nan 4.420 nan 0.000 0.264 478 P C -0.898 176.318 177.300 -0.140 0.000 1.179 478 P CA 0.054 63.053 63.100 -0.170 0.000 0.763 478 P CB 0.506 32.194 31.700 -0.020 0.000 0.806 479 L N 5.108 126.161 121.223 -0.283 0.000 2.409 479 L HA 0.504 4.841 4.340 -0.004 0.000 0.272 479 L C -1.730 174.957 176.870 -0.305 0.000 0.980 479 L CA -0.749 53.993 54.840 -0.164 0.000 0.826 479 L CB 1.081 43.060 42.059 -0.133 0.000 1.268 479 L HN 0.214 nan 8.230 nan 0.000 0.407 480 Y N 2.643 122.900 120.300 -0.072 0.000 2.341 480 Y HA 0.765 5.313 4.550 -0.003 0.000 0.338 480 Y C 0.368 176.167 175.900 -0.167 0.000 0.965 480 Y CA -0.530 57.511 58.100 -0.097 0.000 1.108 480 Y CB 2.211 40.596 38.460 -0.125 0.000 1.180 480 Y HN 0.685 nan 8.280 nan 0.000 0.458 481 T N 0.647 115.199 114.554 -0.003 0.000 2.896 481 T HA 0.737 5.085 4.350 -0.004 0.000 0.297 481 T C -1.635 172.966 174.700 -0.166 0.000 1.108 481 T CA -0.870 61.161 62.100 -0.114 0.000 1.004 481 T CB 2.035 70.891 68.868 -0.019 0.000 1.159 481 T HN 0.393 nan 8.240 nan 0.000 0.499 482 L N 1.652 122.641 121.223 -0.390 0.000 2.346 482 L HA 0.634 4.972 4.340 -0.004 0.000 0.276 482 L C -0.923 175.552 176.870 -0.658 0.000 1.006 482 L CA -0.363 54.277 54.840 -0.333 0.000 0.817 482 L CB 1.434 43.355 42.059 -0.229 0.000 1.272 482 L HN 0.826 nan 8.230 nan 0.000 0.421 483 H N 1.467 120.331 119.070 -0.342 0.000 2.768 483 H HA 0.534 5.088 4.556 -0.004 0.000 0.371 483 H C -0.921 174.177 175.328 -0.383 0.000 1.151 483 H CA -0.830 54.898 56.048 -0.533 0.000 1.165 483 H CB 2.077 31.134 29.762 -1.176 0.000 1.722 483 H HN 0.580 nan 8.280 nan 0.000 0.543 484 S N 0.650 116.279 115.700 -0.117 0.000 2.462 484 S HA 0.204 4.672 4.470 -0.004 0.000 0.294 484 S C 0.752 175.300 174.600 -0.087 0.000 1.144 484 S CA -0.762 57.379 58.200 -0.098 0.000 1.088 484 S CB 1.744 64.927 63.200 -0.028 0.000 1.009 484 S HN 0.558 nan 8.310 nan 0.000 0.484 485 S N 1.849 117.506 115.700 -0.073 0.000 2.436 485 S HA -0.070 4.398 4.470 -0.004 0.000 0.228 485 S C 1.786 176.413 174.600 0.044 0.000 1.014 485 S CA 0.563 58.844 58.200 0.135 0.000 0.950 485 S CB -0.264 63.011 63.200 0.126 0.000 0.784 485 S HN 0.651 nan 8.310 nan 0.000 0.504 486 V N 3.626 123.512 119.914 -0.047 0.000 2.490 486 V HA -0.164 3.954 4.120 -0.004 0.000 0.250 486 V C 1.315 177.405 176.094 -0.006 0.000 1.061 486 V CA 2.135 64.419 62.300 -0.026 0.000 1.064 486 V CB -0.399 31.392 31.823 -0.053 0.000 0.670 486 V HN 0.750 nan 8.190 nan 0.000 0.461 487 N N -2.736 115.961 118.700 -0.006 0.000 2.118 487 N HA 0.077 4.815 4.740 -0.004 0.000 0.226 487 N C 0.206 175.722 175.510 0.010 0.000 1.305 487 N CA 0.428 53.478 53.050 -0.000 0.000 0.890 487 N CB 0.059 38.544 38.487 -0.002 0.000 1.118 487 N HN 0.360 nan 8.380 nan 0.000 0.511 488 D N 0.477 120.901 120.400 0.041 0.000 2.792 488 D HA -0.215 4.423 4.640 -0.004 0.000 0.231 488 D C -0.368 175.964 176.300 0.054 0.000 1.160 488 D CA 1.071 55.121 54.000 0.083 0.000 0.697 488 D CB -0.893 39.950 40.800 0.072 0.000 1.070 488 D HN 0.779 nan 8.370 nan 0.000 0.426 489 K N -0.254 120.160 120.400 0.023 0.000 2.118 489 K HA 0.532 4.850 4.320 -0.004 0.000 0.267 489 K C 0.566 177.164 176.600 -0.003 0.000 0.991 489 K CA -0.461 55.835 56.287 0.016 0.000 0.916 489 K CB 1.414 33.911 32.500 -0.005 0.000 1.041 489 K HN -0.061 nan 8.250 nan 0.000 0.455 490 G N 2.791 111.575 108.800 -0.027 0.000 2.380 490 G HA2 0.221 4.179 3.960 -0.004 0.000 0.262 490 G HA3 0.221 4.179 3.960 -0.004 0.000 0.262 490 G C 0.380 175.144 174.900 -0.227 0.000 1.243 490 G CA -0.764 44.180 45.100 -0.261 0.000 0.865 490 G HN 0.675 nan 8.290 nan 0.000 0.513 491 L N 1.652 122.697 121.223 -0.297 0.000 2.145 491 L HA 0.327 4.665 4.340 -0.004 0.000 0.201 491 L C 1.591 178.365 176.870 -0.160 0.000 1.075 491 L CA 0.734 55.473 54.840 -0.169 0.000 0.773 491 L CB -0.176 41.803 42.059 -0.133 0.000 0.936 491 L HN 0.743 nan 8.230 nan 0.000 0.451 492 R N -1.826 118.541 120.500 -0.222 0.000 2.728 492 R HA 0.424 4.762 4.340 -0.004 0.000 0.274 492 R C -1.671 174.496 176.300 -0.221 0.000 1.032 492 R CA -0.877 55.116 56.100 -0.178 0.000 0.866 492 R CB 1.426 31.649 30.300 -0.130 0.000 1.263 492 R HN -0.278 nan 8.270 nan 0.000 0.475 493 V N 2.896 122.709 119.914 -0.169 0.000 2.461 493 V HA 0.181 4.298 4.120 -0.004 0.000 0.275 493 V C 1.258 177.218 176.094 -0.224 0.000 1.047 493 V CA -0.346 61.856 62.300 -0.164 0.000 0.955 493 V CB 1.164 32.928 31.823 -0.099 0.000 0.988 493 V HN 0.646 nan 8.190 nan 0.000 0.471 494 L N 2.621 123.649 121.223 -0.326 0.000 2.200 494 L HA 0.295 4.633 4.340 -0.004 0.000 0.200 494 L C 0.734 177.381 176.870 -0.372 0.000 1.072 494 L CA 0.710 55.181 54.840 -0.614 0.000 0.787 494 L CB 0.223 41.545 42.059 -1.228 0.000 0.957 494 L HN 0.666 nan 8.230 nan 0.000 0.459 495 E N -0.236 119.874 120.200 -0.150 0.000 2.321 495 E HA 0.117 4.465 4.350 -0.004 0.000 0.281 495 E C -1.147 175.514 176.600 0.101 0.000 0.910 495 E CA -0.386 56.027 56.400 0.021 0.000 0.770 495 E CB 1.354 31.083 29.700 0.048 0.000 1.225 495 E HN 0.164 nan 8.360 nan 0.000 0.417 496 D N 2.862 123.295 120.400 0.055 0.000 2.469 496 D HA 0.131 4.769 4.640 -0.004 0.000 0.213 496 D C -0.316 175.997 176.300 0.021 0.000 1.135 496 D CA -0.192 53.826 54.000 0.030 0.000 0.834 496 D CB -0.009 40.789 40.800 -0.004 0.000 1.009 496 D HN 0.433 nan 8.370 nan 0.000 0.507 497 N N 0.390 119.117 118.700 0.046 0.000 2.735 497 N HA -0.199 4.538 4.740 -0.004 0.000 0.248 497 N C 0.918 176.434 175.510 0.009 0.000 1.083 497 N CA 0.935 54.005 53.050 0.033 0.000 0.703 497 N CB -1.449 37.049 38.487 0.019 0.000 1.005 497 N HN 0.486 nan 8.380 nan 0.000 0.550 498 S N -1.327 114.381 115.700 0.014 0.000 2.402 498 S HA 0.026 4.494 4.470 -0.004 0.000 0.229 498 S C 2.087 176.702 174.600 0.024 0.000 1.021 498 S CA 0.850 59.056 58.200 0.009 0.000 0.974 498 S CB -0.049 63.157 63.200 0.009 0.000 0.800 498 S HN 0.504 nan 8.310 nan 0.000 0.484 499 A N 2.241 125.084 122.820 0.039 0.000 1.858 499 A HA 0.052 4.370 4.320 -0.004 0.000 0.216 499 A C 2.230 179.857 177.584 0.072 0.000 1.190 499 A CA 1.620 53.690 52.037 0.054 0.000 0.617 499 A CB -1.011 18.024 19.000 0.058 0.000 0.827 499 A HN 0.505 nan 8.150 nan 0.000 0.443 500 L N 0.460 121.730 121.223 0.078 0.000 2.046 500 L HA -0.181 4.157 4.340 -0.004 0.000 0.208 500 L C 1.944 178.848 176.870 0.058 0.000 1.077 500 L CA 2.825 57.727 54.840 0.103 0.000 0.747 500 L CB -0.781 41.339 42.059 0.102 0.000 0.896 500 L HN 0.548 nan 8.230 nan 0.000 0.432 501 D N -1.004 119.403 120.400 0.012 0.000 2.123 501 D HA -0.243 4.395 4.640 -0.004 0.000 0.196 501 D C 2.016 178.321 176.300 0.008 0.000 0.992 501 D CA 1.290 55.280 54.000 -0.017 0.000 0.833 501 D CB 0.118 40.899 40.800 -0.033 0.000 0.954 501 D HN 0.109 nan 8.370 nan 0.000 0.455 502 K N -0.349 120.069 120.400 0.030 0.000 2.057 502 K HA 0.029 4.347 4.320 -0.004 0.000 0.206 502 K C 2.146 178.784 176.600 0.063 0.000 1.050 502 K CA 0.889 57.200 56.287 0.040 0.000 0.935 502 K CB -0.324 32.202 32.500 0.042 0.000 0.715 502 K HN 0.307 nan 8.250 nan 0.000 0.439 503 M N -0.057 119.605 119.600 0.102 0.000 2.080 503 M HA -0.149 4.329 4.480 -0.004 0.000 0.260 503 M C 1.857 178.210 176.300 0.089 0.000 1.068 503 M CA 1.522 56.925 55.300 0.171 0.000 1.109 503 M CB -0.354 32.438 32.600 0.320 0.000 1.342 503 M HN 0.049 nan 8.290 nan 0.000 0.405 504 L N -0.393 120.830 121.223 0.000 0.000 2.376 504 L HA -0.178 4.160 4.340 -0.004 0.000 0.219 504 L C 2.295 179.134 176.870 -0.051 0.000 1.133 504 L CA 0.861 55.636 54.840 -0.107 0.000 0.816 504 L CB -0.556 41.451 42.059 -0.086 0.000 0.933 504 L HN 0.429 nan 8.230 nan 0.000 0.449 505 Q N -0.007 119.787 119.800 -0.009 0.000 2.226 505 Q HA -0.136 4.202 4.340 -0.004 0.000 0.204 505 Q C 1.223 177.234 176.000 0.017 0.000 0.975 505 Q CA 0.985 56.790 55.803 0.002 0.000 0.866 505 Q CB 0.015 28.761 28.738 0.012 0.000 0.915 505 Q HN 0.538 nan 8.270 nan 0.000 0.440 506 N N -0.061 118.658 118.700 0.032 0.000 2.383 506 N HA 0.045 4.783 4.740 -0.004 0.000 0.192 506 N C -0.671 174.869 175.510 0.051 0.000 1.141 506 N CA 0.271 53.353 53.050 0.052 0.000 0.851 506 N CB 0.929 39.465 38.487 0.081 0.000 0.976 506 N HN -0.032 nan 8.380 nan 0.000 0.465 507 V N 1.039 120.959 119.914 0.010 0.000 2.628 507 V HA 0.198 4.316 4.120 -0.004 0.000 0.306 507 V C 0.266 176.363 176.094 0.005 0.000 1.045 507 V CA -0.931 61.374 62.300 0.008 0.000 0.905 507 V CB 2.443 34.216 31.823 -0.083 0.000 0.997 507 V HN 0.007 nan 8.190 nan 0.000 0.436 508 Q N 4.140 123.963 119.800 0.037 0.000 2.613 508 Q HA 0.266 4.604 4.340 -0.004 0.000 0.228 508 Q C -0.447 175.540 176.000 -0.020 0.000 1.318 508 Q CA -0.085 55.725 55.803 0.012 0.000 0.907 508 Q CB 0.204 28.980 28.738 0.064 0.000 1.593 508 Q HN 0.533 nan 8.270 nan 0.000 0.559 509 M N 3.285 122.849 119.600 -0.061 0.000 2.255 509 M HA 0.349 4.827 4.480 -0.004 0.000 0.336 509 M C -1.961 174.272 176.300 -0.112 0.000 1.135 509 M CA -2.329 52.919 55.300 -0.088 0.000 1.145 509 M CB -0.005 32.541 32.600 -0.090 0.000 1.473 509 M HN 0.251 nan 8.290 nan 0.000 0.462 510 P HA 0.268 nan 4.420 nan 0.000 0.276 510 P C -0.806 176.407 177.300 -0.145 0.000 1.261 510 P CA -0.380 62.630 63.100 -0.150 0.000 0.800 510 P CB 0.609 32.207 31.700 -0.170 0.000 1.066 511 S N -0.588 115.016 115.700 -0.161 0.000 2.704 511 S HA 0.643 5.111 4.470 -0.004 0.000 0.305 511 S C -0.533 173.969 174.600 -0.163 0.000 1.107 511 S CA -0.763 57.354 58.200 -0.138 0.000 0.993 511 S CB 1.626 64.746 63.200 -0.133 0.000 1.110 511 S HN 0.535 nan 8.310 nan 0.000 0.534 512 K N 0.536 120.863 120.400 -0.122 0.000 2.507 512 K HA 0.390 4.708 4.320 -0.004 0.000 0.252 512 K C -1.356 175.190 176.600 -0.091 0.000 0.943 512 K CA -0.516 55.704 56.287 -0.112 0.000 0.808 512 K CB 1.454 33.908 32.500 -0.078 0.000 1.142 512 K HN 0.699 nan 8.250 nan 0.000 0.426 513 K N 4.786 125.123 120.400 -0.106 0.000 2.159 513 K HA 0.341 4.659 4.320 -0.004 0.000 0.266 513 K C -1.463 175.101 176.600 -0.061 0.000 0.975 513 K CA -0.824 55.416 56.287 -0.078 0.000 0.865 513 K CB 0.999 33.444 32.500 -0.091 0.000 1.087 513 K HN 0.500 nan 8.250 nan 0.000 0.446 514 L N 3.779 124.976 121.223 -0.043 0.000 2.356 514 L HA 0.532 4.869 4.340 -0.004 0.000 0.277 514 L C -1.155 175.688 176.870 -0.044 0.000 0.996 514 L CA 0.102 54.934 54.840 -0.015 0.000 0.822 514 L CB 1.560 43.684 42.059 0.108 0.000 1.256 514 L HN 0.798 nan 8.230 nan 0.000 0.413 515 D N 2.467 122.685 120.400 -0.305 0.000 2.851 515 D HA 0.489 5.127 4.640 -0.004 0.000 0.339 515 D C -1.676 174.232 176.300 -0.652 0.000 1.347 515 D CA -0.007 53.702 54.000 -0.485 0.000 0.888 515 D CB 1.568 42.059 40.800 -0.514 0.000 1.431 515 D HN 0.255 nan 8.370 nan 0.000 0.509 516 F N -0.040 119.575 119.950 -0.559 0.000 2.613 516 F HA 0.727 5.251 4.527 -0.004 0.000 0.314 516 F C -0.656 175.191 175.800 0.079 0.000 1.075 516 F CA -1.074 56.686 58.000 -0.400 0.000 0.945 516 F CB 1.111 39.441 39.000 -1.117 0.000 1.310 516 F HN 0.280 nan 8.300 nan 0.000 0.467 517 I N 0.174 121.036 120.570 0.487 0.000 2.846 517 I HA 0.685 4.853 4.170 -0.004 0.000 0.307 517 I C -1.410 174.958 176.117 0.418 0.000 1.053 517 I CA -1.237 60.295 61.300 0.386 0.000 1.050 517 I CB 2.437 40.620 38.000 0.305 0.000 1.239 517 I HN 0.673 nan 8.210 nan 0.000 0.439 518 I N 4.730 125.481 120.570 0.301 0.000 2.330 518 I HA 0.389 4.557 4.170 -0.004 0.000 0.289 518 I C -0.693 175.558 176.117 0.224 0.000 1.001 518 I CA -0.357 61.081 61.300 0.230 0.000 1.193 518 I CB 1.437 39.535 38.000 0.163 0.000 1.345 518 I HN 0.353 nan 8.210 nan 0.000 0.461 519 L N 6.831 128.246 121.223 0.320 0.000 2.333 519 L HA 0.478 4.816 4.340 -0.004 0.000 0.280 519 L C -0.019 176.991 176.870 0.234 0.000 1.004 519 L CA -0.820 54.184 54.840 0.274 0.000 0.820 519 L CB 1.292 43.537 42.059 0.310 0.000 1.247 519 L HN 0.587 nan 8.230 nan 0.000 0.416 520 N N 3.140 121.915 118.700 0.125 0.000 2.727 520 N HA -0.216 4.522 4.740 -0.004 0.000 0.249 520 N C 0.039 175.586 175.510 0.062 0.000 1.048 520 N CA 1.302 54.401 53.050 0.081 0.000 0.714 520 N CB -0.845 37.688 38.487 0.076 0.000 0.959 520 N HN 0.885 nan 8.380 nan 0.000 0.544 521 E N -4.641 115.590 120.200 0.052 0.000 3.628 521 E HA -0.205 4.143 4.350 -0.004 0.000 0.309 521 E C -0.553 176.032 176.600 -0.025 0.000 0.839 521 E CA 1.286 57.696 56.400 0.016 0.000 1.123 521 E CB -2.023 27.680 29.700 0.005 0.000 1.568 521 E HN 0.501 nan 8.360 nan 0.000 0.440 522 T N 1.304 115.838 114.554 -0.033 0.000 2.829 522 T HA 0.346 4.694 4.350 -0.004 0.000 0.280 522 T C 0.005 174.525 174.700 -0.300 0.000 0.999 522 T CA -0.815 61.156 62.100 -0.216 0.000 0.983 522 T CB 1.764 70.437 68.868 -0.325 0.000 0.968 522 T HN -0.010 nan 8.240 nan 0.000 0.446 523 K N 2.672 122.846 120.400 -0.377 0.000 2.339 523 K HA 0.369 4.687 4.320 -0.004 0.000 0.286 523 K C -0.996 175.336 176.600 -0.446 0.000 1.050 523 K CA 0.028 56.097 56.287 -0.364 0.000 0.956 523 K CB 0.531 32.664 32.500 -0.613 0.000 0.990 523 K HN 0.465 nan 8.250 nan 0.000 0.475 524 F N 1.841 121.850 119.950 0.098 0.000 2.493 524 F HA 0.285 4.809 4.527 -0.004 0.000 0.329 524 F C -0.383 175.535 175.800 0.196 0.000 1.126 524 F CA -0.972 57.114 58.000 0.143 0.000 0.937 524 F CB 1.072 40.190 39.000 0.197 0.000 1.146 524 F HN 0.448 nan 8.300 nan 0.000 0.442 525 W N 3.739 125.197 121.300 0.262 0.000 2.313 525 W HA 0.517 5.175 4.660 -0.004 0.000 0.328 525 W C -0.641 176.075 176.519 0.327 0.000 1.197 525 W CA -0.583 56.927 57.345 0.276 0.000 1.235 525 W CB 0.738 30.294 29.460 0.159 0.000 1.158 525 W HN 0.446 nan 8.180 nan 0.000 0.578 526 Y N -0.248 120.385 120.300 0.555 0.000 2.597 526 Y HA 0.623 5.171 4.550 -0.004 0.000 0.340 526 Y C -0.966 175.155 175.900 0.368 0.000 1.097 526 Y CA -1.755 56.661 58.100 0.526 0.000 1.037 526 Y CB 1.127 40.043 38.460 0.760 0.000 1.305 526 Y HN 0.570 nan 8.280 nan 0.000 0.463 527 Q N 2.579 122.625 119.800 0.411 0.000 2.451 527 Q HA 0.762 5.100 4.340 -0.004 0.000 0.281 527 Q C -1.774 174.355 176.000 0.215 0.000 1.099 527 Q CA -1.217 54.707 55.803 0.202 0.000 0.806 527 Q CB 3.351 32.165 28.738 0.127 0.000 1.419 527 Q HN 0.876 nan 8.270 nan 0.000 0.427 528 M N 2.252 121.894 119.600 0.071 0.000 2.327 528 M HA 0.416 4.894 4.480 -0.004 0.000 0.298 528 M C -1.294 174.928 176.300 -0.129 0.000 1.065 528 M CA -0.964 54.302 55.300 -0.056 0.000 0.916 528 M CB 2.169 34.688 32.600 -0.135 0.000 1.630 528 M HN 0.602 nan 8.290 nan 0.000 0.442 529 I N 5.173 125.661 120.570 -0.136 0.000 2.301 529 I HA 0.347 4.515 4.170 -0.004 0.000 0.292 529 I C -0.438 175.519 176.117 -0.266 0.000 1.046 529 I CA -0.228 60.964 61.300 -0.180 0.000 1.282 529 I CB 0.032 37.947 38.000 -0.142 0.000 1.409 529 I HN 0.626 nan 8.210 nan 0.000 0.484 530 L N 8.369 129.387 121.223 -0.341 0.000 2.317 530 L HA 0.483 4.821 4.340 -0.004 0.000 0.281 530 L C -2.216 174.461 176.870 -0.321 0.000 1.024 530 L CA -1.844 52.697 54.840 -0.497 0.000 0.810 530 L CB 1.513 43.099 42.059 -0.789 0.000 1.240 530 L HN 0.278 nan 8.230 nan 0.000 0.427 531 P HA 0.029 nan 4.420 nan 0.000 0.269 531 P C -2.464 174.793 177.300 -0.072 0.000 1.217 531 P CA -0.758 62.274 63.100 -0.113 0.000 0.783 531 P CB -0.291 31.398 31.700 -0.019 0.000 0.898 532 P HA -0.063 nan 4.420 nan 0.000 0.269 532 P C -0.120 177.113 177.300 -0.112 0.000 1.209 532 P CA 0.714 63.695 63.100 -0.198 0.000 0.776 532 P CB -0.009 31.558 31.700 -0.222 0.000 0.876 533 H N -1.398 117.707 119.070 0.057 0.000 2.862 533 H HA -0.200 4.353 4.556 -0.004 0.000 0.290 533 H C 0.163 175.546 175.328 0.092 0.000 1.211 533 H CA 0.109 56.194 56.048 0.061 0.000 1.140 533 H CB -2.417 27.373 29.762 0.047 0.000 1.341 533 H HN 0.417 nan 8.280 nan 0.000 0.392 534 F N 2.633 122.569 119.950 -0.023 0.000 2.623 534 F HA 0.147 4.671 4.527 -0.004 0.000 0.383 534 F C 0.557 176.365 175.800 0.014 0.000 1.077 534 F CA 0.156 58.101 58.000 -0.091 0.000 1.268 534 F CB 0.526 39.356 39.000 -0.283 0.000 1.053 534 F HN 0.171 nan 8.300 nan 0.000 0.571 535 D N 5.798 125.788 120.400 -0.683 0.000 2.542 535 D HA 0.185 4.823 4.640 -0.004 0.000 0.252 535 D C 0.354 176.285 176.300 -0.614 0.000 1.222 535 D CA -0.463 53.261 54.000 -0.460 0.000 0.895 535 D CB 1.266 41.979 40.800 -0.145 0.000 1.207 535 D HN 0.636 nan 8.370 nan 0.000 0.558 536 K N 0.899 120.973 120.400 -0.543 0.000 2.360 536 K HA -0.072 4.245 4.320 -0.004 0.000 0.201 536 K C 1.430 178.022 176.600 -0.013 0.000 1.046 536 K CA 0.895 57.020 56.287 -0.269 0.000 0.945 536 K CB 0.202 32.687 32.500 -0.025 0.000 0.750 536 K HN 0.402 nan 8.250 nan 0.000 0.464 537 S N 0.154 115.814 115.700 -0.067 0.000 2.593 537 S HA 0.067 4.535 4.470 -0.004 0.000 0.217 537 S C 0.294 174.860 174.600 -0.056 0.000 0.966 537 S CA -0.184 57.997 58.200 -0.033 0.000 0.914 537 S CB 0.125 63.297 63.200 -0.045 0.000 0.776 537 S HN 0.059 nan 8.310 nan 0.000 0.523 538 K N 1.072 121.415 120.400 -0.095 0.000 2.139 538 K HA 0.461 4.779 4.320 -0.004 0.000 0.243 538 K C -0.638 175.884 176.600 -0.131 0.000 0.983 538 K CA -0.899 55.267 56.287 -0.203 0.000 0.890 538 K CB 0.734 32.961 32.500 -0.455 0.000 1.090 538 K HN -0.040 nan 8.250 nan 0.000 0.445 539 K N 2.344 122.619 120.400 -0.208 0.000 2.316 539 K HA 0.272 4.590 4.320 -0.004 0.000 0.267 539 K C -1.019 175.482 176.600 -0.166 0.000 1.025 539 K CA -0.379 55.861 56.287 -0.077 0.000 0.896 539 K CB 0.721 33.177 32.500 -0.075 0.000 1.124 539 K HN 0.483 nan 8.250 nan 0.000 0.451 540 Y N 2.767 123.104 120.300 0.061 0.000 2.387 540 Y HA 0.262 4.810 4.550 -0.004 0.000 0.330 540 Y C -1.765 174.085 175.900 -0.083 0.000 1.133 540 Y CA -2.324 55.789 58.100 0.023 0.000 1.152 540 Y CB 0.924 39.464 38.460 0.133 0.000 1.215 540 Y HN 0.442 nan 8.280 nan 0.000 0.466 541 P HA 0.083 nan 4.420 nan 0.000 0.269 541 P C -1.046 176.151 177.300 -0.172 0.000 1.209 541 P CA -0.035 62.812 63.100 -0.423 0.000 0.776 541 P CB 0.972 32.119 31.700 -0.922 0.000 0.876 542 L N 2.751 123.893 121.223 -0.134 0.000 2.385 542 L HA 0.497 4.834 4.340 -0.004 0.000 0.273 542 L C -1.106 175.941 176.870 0.296 0.000 0.990 542 L CA -0.861 54.038 54.840 0.098 0.000 0.821 542 L CB 1.459 43.581 42.059 0.107 0.000 1.279 542 L HN 0.225 nan 8.230 nan 0.000 0.412 543 L N 5.572 126.981 121.223 0.310 0.000 2.287 543 L HA 0.432 4.769 4.340 -0.004 0.000 0.287 543 L C -1.087 176.008 176.870 0.374 0.000 1.022 543 L CA -0.883 54.191 54.840 0.390 0.000 0.814 543 L CB 1.700 43.938 42.059 0.298 0.000 1.217 543 L HN 0.594 nan 8.230 nan 0.000 0.420 544 L N 5.321 126.813 121.223 0.448 0.000 2.278 544 L HA 0.320 4.657 4.340 -0.004 0.000 0.287 544 L C -0.360 176.743 176.870 0.389 0.000 1.072 544 L CA 0.126 55.220 54.840 0.424 0.000 0.819 544 L CB 0.884 43.232 42.059 0.483 0.000 1.176 544 L HN 0.477 nan 8.230 nan 0.000 0.435 545 D N 4.693 125.297 120.400 0.341 0.000 2.359 545 D HA 0.341 4.979 4.640 -0.004 0.000 0.230 545 D C -1.092 175.286 176.300 0.130 0.000 1.118 545 D CA -0.123 54.007 54.000 0.218 0.000 0.844 545 D CB 1.140 42.140 40.800 0.334 0.000 1.059 545 D HN 0.266 nan 8.370 nan 0.000 0.493 546 V N 5.464 125.385 119.914 0.011 0.000 2.628 546 V HA 0.310 4.428 4.120 -0.004 0.000 0.306 546 V C -0.142 176.041 176.094 0.149 0.000 1.045 546 V CA -0.659 61.709 62.300 0.112 0.000 0.905 546 V CB 1.517 33.401 31.823 0.102 0.000 0.997 546 V HN 0.643 nan 8.190 nan 0.000 0.436 547 Y N 3.417 123.784 120.300 0.112 0.000 3.059 547 Y HA 0.522 5.070 4.550 -0.004 0.000 0.212 547 Y C 1.648 177.685 175.900 0.229 0.000 0.947 547 Y CA 1.084 59.278 58.100 0.157 0.000 1.571 547 Y CB 0.256 38.790 38.460 0.124 0.000 1.432 547 Y HN 0.706 nan 8.280 nan 0.000 0.450 548 A N 0.862 123.791 122.820 0.181 0.000 2.899 548 A HA -0.159 4.159 4.320 -0.004 0.000 0.257 548 A C 0.884 178.320 177.584 -0.246 0.000 1.335 548 A CA 0.827 52.912 52.037 0.081 0.000 0.924 548 A CB -2.500 16.605 19.000 0.174 0.000 1.105 548 A HN 0.926 nan 8.150 nan 0.000 0.765 549 G N -0.760 107.650 108.800 -0.651 0.000 2.651 549 G HA2 0.483 4.441 3.960 -0.004 0.000 0.260 549 G HA3 0.483 4.441 3.960 -0.004 0.000 0.260 549 G C -2.211 172.403 174.900 -0.477 0.000 1.216 549 G CA -0.620 43.746 45.100 -1.223 0.000 0.913 549 G HN 0.344 nan 8.290 nan 0.000 0.535 550 P HA 0.141 nan 4.420 nan 0.000 0.267 550 P C 0.531 177.707 177.300 -0.208 0.000 1.205 550 P CA -0.109 62.750 63.100 -0.402 0.000 0.765 550 P CB 0.913 32.061 31.700 -0.921 0.000 0.828 551 C N 2.146 121.374 119.300 -0.120 0.000 4.392 551 C HA -0.153 4.305 4.460 -0.004 0.000 0.280 551 C C 1.005 176.011 174.990 0.027 0.000 1.381 551 C CA 1.256 60.167 59.018 -0.177 0.000 1.871 551 C CB -2.696 24.767 27.740 -0.461 0.000 1.323 551 C HN 0.812 nan 8.230 nan 0.000 0.772 552 S N 0.062 115.848 115.700 0.142 0.000 2.617 552 S HA 0.550 5.017 4.470 -0.004 0.000 0.269 552 S C -0.617 174.147 174.600 0.273 0.000 1.292 552 S CA 0.141 58.513 58.200 0.286 0.000 1.010 552 S CB 1.616 65.045 63.200 0.382 0.000 0.944 552 S HN 0.786 nan 8.310 nan 0.000 0.536 553 Q N 0.169 120.157 119.800 0.313 0.000 2.295 553 Q HA 0.360 4.698 4.340 -0.004 0.000 0.259 553 Q C -0.650 175.478 176.000 0.214 0.000 0.966 553 Q CA -0.594 55.380 55.803 0.285 0.000 0.763 553 Q CB 1.031 29.991 28.738 0.371 0.000 1.283 553 Q HN 0.708 nan 8.270 nan 0.000 0.445 554 K N 1.071 121.594 120.400 0.205 0.000 2.358 554 K HA 0.339 4.657 4.320 -0.004 0.000 0.200 554 K C -0.448 176.258 176.600 0.178 0.000 1.030 554 K CA 0.193 56.590 56.287 0.183 0.000 1.097 554 K CB 1.518 34.149 32.500 0.218 0.000 0.862 554 K HN 0.496 nan 8.250 nan 0.000 0.534 555 A N 2.703 125.636 122.820 0.188 0.000 2.267 555 A HA 0.472 4.789 4.320 -0.004 0.000 0.315 555 A C -0.764 176.891 177.584 0.118 0.000 1.297 555 A CA -0.480 51.668 52.037 0.185 0.000 0.865 555 A CB 0.316 19.484 19.000 0.280 0.000 1.165 555 A HN 0.256 nan 8.150 nan 0.000 0.513 556 D N -0.076 120.371 120.400 0.079 0.000 2.768 556 D HA 0.369 5.007 4.640 -0.004 0.000 0.327 556 D C 0.254 176.573 176.300 0.030 0.000 1.302 556 D CA 0.304 54.339 54.000 0.057 0.000 0.897 556 D CB 0.210 41.048 40.800 0.064 0.000 1.420 556 D HN 0.216 nan 8.370 nan 0.000 0.494 557 T N -2.225 112.362 114.554 0.055 0.000 3.186 557 T HA 0.352 4.700 4.350 -0.004 0.000 0.257 557 T C 0.408 175.080 174.700 -0.047 0.000 1.029 557 T CA -0.343 61.784 62.100 0.044 0.000 0.916 557 T CB -0.609 68.332 68.868 0.120 0.000 1.041 557 T HN 0.283 nan 8.240 nan 0.000 0.562 558 V N 2.441 122.234 119.914 -0.202 0.000 2.614 558 V HA 0.345 4.463 4.120 -0.004 0.000 0.291 558 V C 0.059 176.108 176.094 -0.075 0.000 1.049 558 V CA -1.035 61.109 62.300 -0.259 0.000 1.038 558 V CB 0.298 31.853 31.823 -0.447 0.000 0.980 558 V HN 0.553 nan 8.190 nan 0.000 0.481 559 F N 6.209 126.067 119.950 -0.152 0.000 2.445 559 F HA 0.515 5.039 4.527 -0.004 0.000 0.359 559 F C 0.561 176.306 175.800 -0.090 0.000 1.101 559 F CA -0.093 57.842 58.000 -0.109 0.000 1.177 559 F CB 0.211 39.155 39.000 -0.094 0.000 1.110 559 F HN 0.428 nan 8.300 nan 0.000 0.522 560 R N 6.568 126.663 120.500 -0.675 0.000 2.686 560 R HA 0.562 4.900 4.340 -0.004 0.000 0.283 560 R C -1.590 174.306 176.300 -0.672 0.000 0.978 560 R CA -1.074 54.739 56.100 -0.478 0.000 0.897 560 R CB 2.138 32.296 30.300 -0.237 0.000 1.192 560 R HN 0.652 nan 8.270 nan 0.000 0.457 561 L N 4.129 125.134 121.223 -0.364 0.000 2.324 561 L HA 0.424 4.762 4.340 -0.004 0.000 0.274 561 L C -0.599 176.241 176.870 -0.049 0.000 1.012 561 L CA -0.647 54.031 54.840 -0.271 0.000 0.859 561 L CB 0.663 42.686 42.059 -0.059 0.000 1.224 561 L HN 0.779 nan 8.230 nan 0.000 0.429 562 N N 0.587 119.181 118.700 -0.177 0.000 3.418 562 N HA 0.131 4.869 4.740 -0.004 0.000 0.316 562 N C 0.114 175.267 175.510 -0.594 0.000 1.601 562 N CA -0.881 51.971 53.050 -0.329 0.000 0.805 562 N CB 0.228 38.653 38.487 -0.104 0.000 1.873 562 N HN 0.318 nan 8.380 nan 0.000 0.615 563 W N 0.722 121.446 121.300 -0.960 0.000 2.342 563 W HA 0.173 4.831 4.660 -0.004 0.000 0.297 563 W C 2.053 178.500 176.519 -0.120 0.000 1.213 563 W CA 2.865 59.865 57.345 -0.575 0.000 1.251 563 W CB -0.963 28.306 29.460 -0.319 0.000 1.136 563 W HN 0.720 nan 8.180 nan 0.000 0.526 564 A N -0.521 122.268 122.820 -0.051 0.000 1.978 564 A HA -0.214 4.104 4.320 -0.004 0.000 0.220 564 A C 1.943 179.416 177.584 -0.186 0.000 1.170 564 A CA 2.477 54.421 52.037 -0.155 0.000 0.636 564 A CB -1.272 17.713 19.000 -0.025 0.000 0.810 564 A HN 0.298 nan 8.150 nan 0.000 0.448 565 T N -1.124 113.333 114.554 -0.162 0.000 2.684 565 T HA -0.226 4.122 4.350 -0.004 0.000 0.267 565 T C 1.816 176.523 174.700 0.012 0.000 1.036 565 T CA 1.793 63.778 62.100 -0.192 0.000 1.148 565 T CB -0.524 68.075 68.868 -0.448 0.000 0.863 565 T HN 0.684 nan 8.240 nan 0.000 0.436 566 Y N 2.122 122.491 120.300 0.115 0.000 2.145 566 Y HA -0.067 4.481 4.550 -0.004 0.000 0.286 566 Y C 1.985 177.867 175.900 -0.029 0.000 1.145 566 Y CA 0.957 59.154 58.100 0.162 0.000 1.148 566 Y CB -0.815 37.736 38.460 0.151 0.000 0.981 566 Y HN 0.130 nan 8.280 nan 0.000 0.507 567 L N 0.159 120.956 121.223 -0.710 0.000 2.042 567 L HA -0.234 4.104 4.340 -0.004 0.000 0.210 567 L C 2.838 179.455 176.870 -0.421 0.000 1.076 567 L CA 1.398 55.757 54.840 -0.801 0.000 0.749 567 L CB -1.040 40.587 42.059 -0.720 0.000 0.893 567 L HN 0.418 nan 8.230 nan 0.000 0.432 568 A N -1.209 121.445 122.820 -0.277 0.000 1.872 568 A HA -0.190 4.127 4.320 -0.004 0.000 0.214 568 A C 2.525 180.039 177.584 -0.116 0.000 1.187 568 A CA 1.834 53.765 52.037 -0.177 0.000 0.614 568 A CB -0.662 18.230 19.000 -0.179 0.000 0.826 568 A HN 0.338 nan 8.150 nan 0.000 0.442 569 S N -1.323 114.327 115.700 -0.084 0.000 2.355 569 S HA -0.113 4.355 4.470 -0.004 0.000 0.222 569 S C 1.988 176.608 174.600 0.034 0.000 1.031 569 S CA 2.258 60.460 58.200 0.003 0.000 0.993 569 S CB -0.351 62.907 63.200 0.096 0.000 0.859 569 S HN 0.585 nan 8.310 nan 0.000 0.453 570 T N 1.052 115.608 114.554 0.003 0.000 3.021 570 T HA 0.187 4.535 4.350 -0.004 0.000 0.245 570 T C 1.288 175.969 174.700 -0.031 0.000 1.028 570 T CA 0.468 62.594 62.100 0.042 0.000 1.139 570 T CB -0.046 68.936 68.868 0.191 0.000 0.884 570 T HN 0.303 nan 8.240 nan 0.000 0.457 571 E N 1.313 121.407 120.200 -0.176 0.000 2.474 571 E HA 0.174 4.521 4.350 -0.004 0.000 0.195 571 E C -0.123 176.464 176.600 -0.023 0.000 1.039 571 E CA -0.092 56.240 56.400 -0.114 0.000 0.881 571 E CB -0.308 29.259 29.700 -0.222 0.000 0.970 571 E HN 0.522 nan 8.360 nan 0.000 0.486 572 N N 0.802 119.501 118.700 -0.002 0.000 2.725 572 N HA -0.198 4.540 4.740 -0.004 0.000 0.251 572 N C -0.845 174.745 175.510 0.133 0.000 1.031 572 N CA 0.297 53.409 53.050 0.103 0.000 0.720 572 N CB -1.254 37.343 38.487 0.185 0.000 0.930 572 N HN 0.228 nan 8.380 nan 0.000 0.543 573 I N 0.877 121.458 120.570 0.018 0.000 2.354 573 I HA 0.323 4.491 4.170 -0.004 0.000 0.292 573 I C 0.614 176.704 176.117 -0.045 0.000 0.989 573 I CA -0.864 60.453 61.300 0.028 0.000 1.188 573 I CB 1.205 39.221 38.000 0.027 0.000 1.342 573 I HN 0.051 nan 8.210 nan 0.000 0.457 574 I N 6.694 127.244 120.570 -0.034 0.000 2.533 574 I HA 0.095 4.263 4.170 -0.004 0.000 0.284 574 I C -0.291 175.803 176.117 -0.037 0.000 1.109 574 I CA -0.170 61.064 61.300 -0.110 0.000 1.412 574 I CB 0.672 38.607 38.000 -0.108 0.000 1.396 574 I HN 0.209 nan 8.210 nan 0.000 0.543 575 V N 6.844 126.722 119.914 -0.060 0.000 2.357 575 V HA 0.641 4.759 4.120 -0.004 0.000 0.284 575 V C 0.340 176.454 176.094 0.034 0.000 1.018 575 V CA -0.444 61.873 62.300 0.027 0.000 0.841 575 V CB 1.147 32.980 31.823 0.017 0.000 0.991 575 V HN 0.845 nan 8.190 nan 0.000 0.437 576 A N 4.033 126.909 122.820 0.093 0.000 2.356 576 A HA 0.955 5.273 4.320 -0.004 0.000 0.323 576 A C -0.208 177.532 177.584 0.260 0.000 1.119 576 A CA -0.514 51.573 52.037 0.084 0.000 0.790 576 A CB 1.744 20.646 19.000 -0.164 0.000 1.273 576 A HN 0.699 nan 8.150 nan 0.000 0.452 577 S N -0.205 115.695 115.700 0.333 0.000 2.549 577 S HA 0.753 5.221 4.470 -0.004 0.000 0.280 577 S C -1.534 173.427 174.600 0.601 0.000 1.109 577 S CA -0.312 58.136 58.200 0.415 0.000 0.905 577 S CB 1.370 64.751 63.200 0.302 0.000 1.081 577 S HN 0.750 nan 8.310 nan 0.000 0.477 578 F N 1.848 122.039 119.950 0.401 0.000 2.547 578 F HA 0.486 5.011 4.527 -0.004 0.000 0.316 578 F C -1.510 174.492 175.800 0.338 0.000 1.121 578 F CA -0.891 57.361 58.000 0.421 0.000 0.911 578 F CB 1.497 40.697 39.000 0.332 0.000 1.179 578 F HN 0.393 nan 8.300 nan 0.000 0.443 579 D N 4.473 124.687 120.400 -0.310 0.000 2.454 579 D HA 0.407 5.044 4.640 -0.004 0.000 0.225 579 D C 0.345 176.388 176.300 -0.428 0.000 1.081 579 D CA 0.140 54.031 54.000 -0.181 0.000 0.864 579 D CB 1.499 42.342 40.800 0.071 0.000 1.040 579 D HN 0.759 nan 8.370 nan 0.000 0.517 580 G N 1.349 109.987 108.800 -0.269 0.000 2.782 580 G HA2 0.318 4.275 3.960 -0.004 0.000 0.201 580 G HA3 0.318 4.275 3.960 -0.004 0.000 0.201 580 G C 0.087 175.020 174.900 0.055 0.000 1.374 580 G CA -0.706 44.274 45.100 -0.201 0.000 1.039 580 G HN 0.281 nan 8.290 nan 0.000 0.576 581 R N -0.684 119.831 120.500 0.024 0.000 2.623 581 R HA 0.379 4.717 4.340 -0.004 0.000 0.271 581 R C 1.243 177.635 176.300 0.153 0.000 1.043 581 R CA 1.440 57.630 56.100 0.150 0.000 1.083 581 R CB 0.543 30.907 30.300 0.106 0.000 0.974 581 R HN 1.058 nan 8.270 nan 0.000 0.436 582 G N 1.115 110.000 108.800 0.142 0.000 2.241 582 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.244 582 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.244 582 G C 0.169 175.098 174.900 0.049 0.000 0.998 582 G CA 0.245 45.406 45.100 0.101 0.000 0.621 582 G HN 0.728 nan 8.290 nan 0.000 0.519 583 S N 0.265 116.006 115.700 0.068 0.000 2.600 583 S HA 0.669 5.137 4.470 -0.004 0.000 0.265 583 S C 0.811 175.402 174.600 -0.015 0.000 1.325 583 S CA 0.458 58.691 58.200 0.055 0.000 1.002 583 S CB 1.777 65.040 63.200 0.105 0.000 0.921 583 S HN 1.677 nan 8.310 nan 0.000 0.554 584 G N -0.946 107.811 108.800 -0.071 0.000 2.521 584 G HA2 0.512 4.470 3.960 -0.004 0.000 0.323 584 G HA3 0.512 4.470 3.960 -0.004 0.000 0.323 584 G C -0.989 173.773 174.900 -0.230 0.000 1.211 584 G CA -0.993 43.890 45.100 -0.362 0.000 0.979 584 G HN 0.980 nan 8.290 nan 0.000 0.490 585 Y N -2.442 117.862 120.300 0.008 0.000 4.841 585 Y HA -0.213 4.335 4.550 -0.004 0.000 0.242 585 Y C 1.371 177.285 175.900 0.023 0.000 1.002 585 Y CA 0.993 59.104 58.100 0.019 0.000 2.011 585 Y CB -2.150 36.334 38.460 0.041 0.000 1.554 585 Y HN 0.561 nan 8.280 nan 0.000 0.618 586 Q N 0.028 119.859 119.800 0.052 0.000 2.086 586 Q HA 0.517 4.855 4.340 -0.004 0.000 0.220 586 Q C 0.929 176.850 176.000 -0.131 0.000 0.792 586 Q CA 0.215 56.057 55.803 0.065 0.000 1.062 586 Q CB 1.688 30.456 28.738 0.051 0.000 1.198 586 Q HN 0.587 nan 8.270 nan 0.000 0.466 587 G N 0.762 109.355 108.800 -0.345 0.000 2.662 587 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.686 587 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.686 587 G C -0.522 174.027 174.900 -0.586 0.000 1.271 587 G CA -0.525 44.092 45.100 -0.805 0.000 0.816 587 G HN 0.112 nan 8.290 nan 0.000 0.608 588 D N -0.176 119.833 120.400 -0.652 0.000 2.224 588 D HA -0.025 4.613 4.640 -0.004 0.000 0.205 588 D C 2.222 178.244 176.300 -0.464 0.000 0.965 588 D CA 1.172 54.752 54.000 -0.700 0.000 0.852 588 D CB 0.028 40.371 40.800 -0.761 0.000 0.947 588 D HN 0.564 nan 8.370 nan 0.000 0.494 589 K N 0.522 120.711 120.400 -0.353 0.000 2.063 589 K HA -0.123 4.194 4.320 -0.004 0.000 0.208 589 K C 2.024 178.548 176.600 -0.125 0.000 1.048 589 K CA 0.948 57.118 56.287 -0.195 0.000 0.928 589 K CB -0.042 32.361 32.500 -0.160 0.000 0.713 589 K HN 0.108 nan 8.250 nan 0.000 0.442 590 I N 0.265 120.748 120.570 -0.145 0.000 2.277 590 I HA -0.221 3.947 4.170 -0.004 0.000 0.243 590 I C 2.629 178.732 176.117 -0.024 0.000 1.094 590 I CA 0.843 62.125 61.300 -0.030 0.000 1.393 590 I CB -0.100 37.900 38.000 -0.001 0.000 1.078 590 I HN 0.282 nan 8.210 nan 0.000 0.417 591 M N 0.030 119.544 119.600 -0.143 0.000 2.132 591 M HA -0.213 4.264 4.480 -0.004 0.000 0.263 591 M C 1.853 178.190 176.300 0.060 0.000 1.065 591 M CA 1.962 57.205 55.300 -0.096 0.000 1.122 591 M CB -0.264 32.181 32.600 -0.258 0.000 1.365 591 M HN 0.269 nan 8.290 nan 0.000 0.411 592 H N -0.801 118.184 119.070 -0.143 0.000 2.543 592 H HA 0.189 4.743 4.556 -0.004 0.000 0.269 592 H C 1.818 177.172 175.328 0.043 0.000 1.005 592 H CA 0.090 56.064 56.048 -0.124 0.000 1.146 592 H CB 0.183 29.776 29.762 -0.281 0.000 1.353 592 H HN 0.507 nan 8.280 nan 0.000 0.595 593 A N 1.526 124.454 122.820 0.181 0.000 2.024 593 A HA -0.137 4.181 4.320 -0.004 0.000 0.220 593 A C 2.036 179.819 177.584 0.331 0.000 1.164 593 A CA 1.099 53.265 52.037 0.215 0.000 0.643 593 A CB -0.664 18.430 19.000 0.156 0.000 0.806 593 A HN 0.582 nan 8.150 nan 0.000 0.451 594 I N -2.929 117.811 120.570 0.283 0.000 3.855 594 I HA 0.144 4.312 4.170 -0.004 0.000 0.327 594 I C 0.397 176.600 176.117 0.144 0.000 1.359 594 I CA -0.446 60.973 61.300 0.198 0.000 1.142 594 I CB -0.619 37.466 38.000 0.142 0.000 1.041 594 I HN 0.205 nan 8.210 nan 0.000 0.403 595 N N 3.001 121.831 118.700 0.217 0.000 2.411 595 N HA -0.061 4.677 4.740 -0.004 0.000 0.261 595 N C 0.202 175.743 175.510 0.052 0.000 1.248 595 N CA 0.265 53.440 53.050 0.208 0.000 0.885 595 N CB 0.337 38.913 38.487 0.148 0.000 1.062 595 N HN 0.417 nan 8.380 nan 0.000 0.471 596 R N 0.782 121.289 120.500 0.012 0.000 4.000 596 R HA -0.151 4.187 4.340 -0.004 0.000 0.362 596 R C -0.304 175.885 176.300 -0.184 0.000 1.183 596 R CA 0.798 56.859 56.100 -0.064 0.000 1.011 596 R CB -0.742 29.537 30.300 -0.035 0.000 1.501 596 R HN 0.644 nan 8.270 nan 0.000 0.553 597 R N 0.458 120.837 120.500 -0.201 0.000 2.648 597 R HA 0.259 4.596 4.340 -0.004 0.000 0.341 597 R C -0.336 175.913 176.300 -0.085 0.000 1.154 597 R CA -0.250 55.608 56.100 -0.403 0.000 1.228 597 R CB 0.381 30.417 30.300 -0.440 0.000 1.311 597 R HN 0.103 nan 8.270 nan 0.000 0.659 598 L N -0.109 121.127 121.223 0.022 0.000 2.483 598 L HA 0.165 4.502 4.340 -0.004 0.000 0.276 598 L C 1.378 178.474 176.870 0.375 0.000 1.213 598 L CA 0.974 55.875 54.840 0.102 0.000 0.843 598 L CB 0.398 42.304 42.059 -0.255 0.000 1.107 598 L HN 0.658 nan 8.230 nan 0.000 0.487 599 G N 0.889 109.952 108.800 0.438 0.000 2.136 599 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.242 599 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.242 599 G C 0.423 175.415 174.900 0.154 0.000 0.989 599 G CA 0.543 45.853 45.100 0.350 0.000 0.682 599 G HN 0.846 nan 8.290 nan 0.000 0.522 600 T N -3.510 111.091 114.554 0.079 0.000 3.066 600 T HA 0.492 4.839 4.350 -0.004 0.000 0.176 600 T C 1.622 176.316 174.700 -0.009 0.000 0.826 600 T CA 0.892 62.941 62.100 -0.085 0.000 1.280 600 T CB -0.028 68.611 68.868 -0.381 0.000 2.214 600 T HN 0.136 nan 8.240 nan 0.000 0.399 601 F N 3.377 123.368 119.950 0.069 0.000 2.171 601 F HA 0.092 4.617 4.527 -0.004 0.000 0.300 601 F C 2.804 178.638 175.800 0.058 0.000 1.090 601 F CA 1.131 59.160 58.000 0.048 0.000 1.293 601 F CB -0.674 38.352 39.000 0.042 0.000 1.013 601 F HN 0.534 nan 8.300 nan 0.000 0.486 602 E N 0.741 121.102 120.200 0.268 0.000 2.204 602 E HA -0.124 4.224 4.350 -0.004 0.000 0.194 602 E C 2.067 178.776 176.600 0.181 0.000 0.989 602 E CA 1.425 57.953 56.400 0.213 0.000 0.824 602 E CB -0.969 28.858 29.700 0.213 0.000 0.756 602 E HN 0.295 nan 8.360 nan 0.000 0.477 603 V N 1.619 121.618 119.914 0.142 0.000 2.302 603 V HA -0.190 3.928 4.120 -0.004 0.000 0.243 603 V C 2.339 178.474 176.094 0.069 0.000 1.036 603 V CA 2.030 64.370 62.300 0.067 0.000 1.020 603 V CB -0.591 31.230 31.823 -0.005 0.000 0.657 603 V HN 0.198 nan 8.190 nan 0.000 0.453 604 E N 0.258 120.513 120.200 0.092 0.000 2.085 604 E HA -0.253 4.095 4.350 -0.004 0.000 0.194 604 E C 1.896 178.529 176.600 0.054 0.000 0.994 604 E CA 1.581 58.030 56.400 0.082 0.000 0.801 604 E CB -0.210 29.568 29.700 0.130 0.000 0.743 604 E HN 0.559 nan 8.360 nan 0.000 0.453 605 D N 0.258 120.707 120.400 0.082 0.000 2.219 605 D HA -0.124 4.514 4.640 -0.004 0.000 0.205 605 D C 1.952 178.261 176.300 0.014 0.000 0.970 605 D CA 0.721 54.748 54.000 0.044 0.000 0.851 605 D CB -0.067 40.806 40.800 0.121 0.000 0.943 605 D HN 0.124 nan 8.370 nan 0.000 0.488 606 Q N 0.104 119.967 119.800 0.104 0.000 2.119 606 Q HA -0.023 4.315 4.340 -0.004 0.000 0.201 606 Q C 2.547 178.586 176.000 0.065 0.000 0.972 606 Q CA 0.465 56.331 55.803 0.105 0.000 0.847 606 Q CB -0.066 28.762 28.738 0.149 0.000 0.903 606 Q HN 0.425 nan 8.270 nan 0.000 0.433 607 I N 0.792 121.414 120.570 0.087 0.000 2.179 607 I HA -0.270 3.898 4.170 -0.004 0.000 0.242 607 I C 2.431 178.507 176.117 -0.068 0.000 1.088 607 I CA 1.313 62.697 61.300 0.139 0.000 1.357 607 I CB -0.219 37.851 38.000 0.118 0.000 1.051 607 I HN 0.152 nan 8.210 nan 0.000 0.409 608 E N 1.516 121.623 120.200 -0.154 0.000 2.110 608 E HA -0.194 4.154 4.350 -0.004 0.000 0.193 608 E C 2.092 178.398 176.600 -0.490 0.000 0.988 608 E CA 1.610 57.852 56.400 -0.263 0.000 0.804 608 E CB -0.195 29.368 29.700 -0.230 0.000 0.745 608 E HN 0.406 nan 8.360 nan 0.000 0.458 609 A N 0.835 123.218 122.820 -0.727 0.000 1.908 609 A HA -0.116 4.202 4.320 -0.004 0.000 0.218 609 A C 2.458 179.336 177.584 -1.176 0.000 1.181 609 A CA 2.277 53.564 52.037 -1.250 0.000 0.627 609 A CB -1.075 17.044 19.000 -1.469 0.000 0.818 609 A HN 0.405 nan 8.150 nan 0.000 0.445 610 A N -0.397 122.106 122.820 -0.530 0.000 1.898 610 A HA -0.137 4.181 4.320 -0.004 0.000 0.216 610 A C 2.230 179.622 177.584 -0.320 0.000 1.181 610 A CA 1.410 53.277 52.037 -0.283 0.000 0.620 610 A CB -0.456 18.422 19.000 -0.204 0.000 0.819 610 A HN 0.556 nan 8.150 nan 0.000 0.442 611 R N -0.598 119.705 120.500 -0.328 0.000 2.083 611 R HA -0.152 4.186 4.340 -0.004 0.000 0.237 611 R C 2.426 178.560 176.300 -0.276 0.000 1.137 611 R CA 1.585 57.526 56.100 -0.264 0.000 0.951 611 R CB -0.344 29.825 30.300 -0.220 0.000 0.851 611 R HN 0.584 nan 8.270 nan 0.000 0.434 612 Q N -0.193 119.370 119.800 -0.396 0.000 2.084 612 Q HA -0.135 4.203 4.340 -0.004 0.000 0.202 612 Q C 2.091 177.934 176.000 -0.262 0.000 0.978 612 Q CA 1.341 56.929 55.803 -0.358 0.000 0.844 612 Q CB -0.200 28.253 28.738 -0.475 0.000 0.898 612 Q HN 0.290 nan 8.270 nan 0.000 0.426 613 F N 1.264 121.046 119.950 -0.279 0.000 2.134 613 F HA -0.126 4.399 4.527 -0.004 0.000 0.299 613 F C 2.626 178.228 175.800 -0.329 0.000 1.097 613 F CA 0.780 58.597 58.000 -0.304 0.000 1.264 613 F CB -1.137 37.728 39.000 -0.225 0.000 1.001 613 F HN -0.050 nan 8.300 nan 0.000 0.479 614 S N 0.036 115.685 115.700 -0.085 0.000 2.374 614 S HA -0.220 4.248 4.470 -0.004 0.000 0.227 614 S C 1.932 176.429 174.600 -0.171 0.000 1.037 614 S CA 1.348 59.463 58.200 -0.141 0.000 1.024 614 S CB -0.376 62.741 63.200 -0.138 0.000 0.861 614 S HN 0.382 nan 8.310 nan 0.000 0.456 615 K N 0.605 120.909 120.400 -0.159 0.000 2.280 615 K HA 0.051 4.369 4.320 -0.004 0.000 0.202 615 K C 1.867 178.371 176.600 -0.161 0.000 1.047 615 K CA 0.883 57.086 56.287 -0.139 0.000 0.942 615 K CB -0.247 32.182 32.500 -0.117 0.000 0.739 615 K HN 0.409 nan 8.250 nan 0.000 0.457 616 M N -0.777 118.675 119.600 -0.247 0.000 2.460 616 M HA -0.050 4.427 4.480 -0.004 0.000 0.263 616 M C 1.283 177.351 176.300 -0.387 0.000 1.071 616 M CA 1.311 56.413 55.300 -0.330 0.000 1.096 616 M CB 0.175 32.467 32.600 -0.514 0.000 1.408 616 M HN 0.478 nan 8.290 nan 0.000 0.463 617 G N 0.432 109.010 108.800 -0.371 0.000 2.176 617 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.232 617 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.232 617 G C 0.342 175.203 174.900 -0.065 0.000 0.986 617 G CA 0.181 45.180 45.100 -0.168 0.000 0.643 617 G HN 0.582 nan 8.290 nan 0.000 0.522 618 F N 0.042 120.054 119.950 0.103 0.000 2.708 618 F HA 0.782 5.307 4.527 -0.004 0.000 0.300 618 F C -0.025 175.902 175.800 0.212 0.000 1.118 618 F CA -1.602 56.502 58.000 0.174 0.000 1.307 618 F CB 0.139 39.318 39.000 0.299 0.000 0.986 618 F HN 0.072 nan 8.300 nan 0.000 0.522 619 V N 1.063 121.022 119.914 0.074 0.000 2.540 619 V HA 0.253 4.371 4.120 -0.004 0.000 0.302 619 V C -0.830 175.264 176.094 -0.000 0.000 1.035 619 V CA -0.769 61.577 62.300 0.077 0.000 0.873 619 V CB 1.870 33.676 31.823 -0.027 0.000 0.992 619 V HN 0.092 nan 8.190 nan 0.000 0.428 620 D N 3.695 124.084 120.400 -0.017 0.000 2.344 620 D HA 0.100 4.738 4.640 -0.004 0.000 0.253 620 D C 1.081 177.329 176.300 -0.087 0.000 1.255 620 D CA 0.059 54.016 54.000 -0.072 0.000 0.894 620 D CB 0.687 41.420 40.800 -0.112 0.000 1.067 620 D HN 0.420 nan 8.370 nan 0.000 0.492 621 N N 3.073 121.725 118.700 -0.080 0.000 2.348 621 N HA -0.133 4.605 4.740 -0.004 0.000 0.185 621 N C 0.937 176.400 175.510 -0.077 0.000 1.019 621 N CA 0.735 53.732 53.050 -0.088 0.000 0.880 621 N CB 0.215 38.652 38.487 -0.083 0.000 0.965 621 N HN 0.435 nan 8.380 nan 0.000 0.437 622 K N 0.297 120.658 120.400 -0.065 0.000 2.404 622 K HA 0.138 4.456 4.320 -0.004 0.000 0.194 622 K C 0.178 176.767 176.600 -0.017 0.000 1.023 622 K CA 0.174 56.440 56.287 -0.035 0.000 1.094 622 K CB 0.657 33.140 32.500 -0.029 0.000 0.841 622 K HN 0.115 nan 8.250 nan 0.000 0.523 623 R N 0.813 121.265 120.500 -0.080 0.000 2.653 623 R HA 0.402 4.740 4.340 -0.004 0.000 0.269 623 R C -0.784 175.416 176.300 -0.165 0.000 1.603 623 R CA -0.072 55.935 56.100 -0.154 0.000 1.671 623 R CB 0.580 30.592 30.300 -0.480 0.000 1.300 623 R HN -0.047 nan 8.270 nan 0.000 0.668 624 I N 0.966 121.595 120.570 0.098 0.000 2.406 624 I HA 0.638 4.806 4.170 -0.004 0.000 0.290 624 I C -0.035 176.364 176.117 0.469 0.000 0.999 624 I CA -0.879 60.534 61.300 0.189 0.000 1.124 624 I CB 1.943 39.910 38.000 -0.055 0.000 1.289 624 I HN 0.307 nan 8.210 nan 0.000 0.441 625 A N 6.947 130.149 122.820 0.637 0.000 2.387 625 A HA 0.919 5.237 4.320 -0.004 0.000 0.303 625 A C -1.167 176.774 177.584 0.594 0.000 1.145 625 A CA -0.655 51.743 52.037 0.603 0.000 0.801 625 A CB 2.147 21.401 19.000 0.424 0.000 1.342 625 A HN 0.735 nan 8.150 nan 0.000 0.440 626 I N 0.538 121.354 120.570 0.410 0.000 2.686 626 I HA 0.721 4.889 4.170 -0.004 0.000 0.295 626 I C -1.815 174.542 176.117 0.400 0.000 1.114 626 I CA -0.596 60.867 61.300 0.272 0.000 1.038 626 I CB 1.678 39.536 38.000 -0.237 0.000 1.238 626 I HN 0.919 nan 8.210 nan 0.000 0.420 627 W N 7.046 128.467 121.300 0.201 0.000 3.137 627 W HA 0.833 5.490 4.660 -0.004 0.000 0.324 627 W C -1.540 175.128 176.519 0.248 0.000 1.253 627 W CA -0.930 56.553 57.345 0.229 0.000 1.183 627 W CB 1.125 30.775 29.460 0.317 0.000 1.424 627 W HN 0.828 nan 8.180 nan 0.000 0.566 628 G N 0.945 109.690 108.800 -0.091 0.000 2.547 628 G HA2 0.435 4.393 3.960 -0.004 0.000 0.291 628 G HA3 0.435 4.393 3.960 -0.004 0.000 0.291 628 G C -2.842 172.026 174.900 -0.054 0.000 1.471 628 G CA -0.757 44.152 45.100 -0.320 0.000 0.798 628 G HN 0.596 nan 8.290 nan 0.000 0.504 629 W N 1.185 122.382 121.300 -0.172 0.000 2.656 629 W HA 0.606 5.263 4.660 -0.004 0.000 0.327 629 W C 0.718 177.295 176.519 0.097 0.000 1.041 629 W CA 0.442 57.770 57.345 -0.028 0.000 1.229 629 W CB 1.812 31.250 29.460 -0.037 0.000 1.397 629 W HN 1.314 nan 8.180 nan 0.000 0.479 630 S N 2.983 118.913 115.700 0.384 0.000 4.120 630 S HA -0.415 4.052 4.470 -0.004 0.000 0.625 630 S C 1.135 175.843 174.600 0.180 0.000 1.925 630 S CA 1.511 59.953 58.200 0.403 0.000 4.213 630 S CB -1.820 61.798 63.200 0.697 0.000 0.206 630 S HN 0.696 nan 8.310 nan 0.000 0.523 631 Y N 2.220 122.516 120.300 -0.006 0.000 2.139 631 Y HA -0.082 4.466 4.550 -0.004 0.000 0.282 631 Y C 2.434 178.253 175.900 -0.134 0.000 1.179 631 Y CA 2.910 60.899 58.100 -0.186 0.000 1.161 631 Y CB -1.043 37.095 38.460 -0.538 0.000 0.970 631 Y HN 0.575 nan 8.280 nan 0.000 0.511 632 G N -1.373 107.453 108.800 0.043 0.000 2.443 632 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.219 632 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.219 632 G C 1.900 176.842 174.900 0.070 0.000 1.131 632 G CA 0.706 45.863 45.100 0.096 0.000 0.775 632 G HN 0.588 nan 8.290 nan 0.000 0.547 633 G N -0.066 108.783 108.800 0.082 0.000 2.402 633 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.216 633 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.216 633 G C 1.581 176.508 174.900 0.046 0.000 1.162 633 G CA 1.029 46.160 45.100 0.051 0.000 0.777 633 G HN 0.389 nan 8.290 nan 0.000 0.539 634 Y N 1.466 121.677 120.300 -0.148 0.000 2.097 634 Y HA -0.171 4.377 4.550 -0.004 0.000 0.282 634 Y C 2.800 178.611 175.900 -0.149 0.000 1.152 634 Y CA 1.774 59.730 58.100 -0.238 0.000 1.136 634 Y CB -0.517 37.645 38.460 -0.498 0.000 0.975 634 Y HN 0.035 nan 8.280 nan 0.000 0.498 635 V N -0.487 119.327 119.914 -0.167 0.000 2.358 635 V HA -0.310 3.808 4.120 -0.004 0.000 0.246 635 V C 2.328 178.320 176.094 -0.170 0.000 1.047 635 V CA 2.354 64.539 62.300 -0.193 0.000 1.035 635 V CB -1.221 30.627 31.823 0.042 0.000 0.658 635 V HN 0.476 nan 8.190 nan 0.000 0.452 636 T N 0.085 114.592 114.554 -0.079 0.000 2.665 636 T HA -0.227 4.121 4.350 -0.004 0.000 0.268 636 T C 2.139 176.786 174.700 -0.089 0.000 1.035 636 T CA 2.159 64.221 62.100 -0.063 0.000 1.151 636 T CB -0.296 68.611 68.868 0.065 0.000 0.862 636 T HN 0.528 nan 8.240 nan 0.000 0.438 637 S N 0.918 116.596 115.700 -0.037 0.000 2.368 637 S HA -0.012 4.456 4.470 -0.004 0.000 0.224 637 S C 2.162 176.688 174.600 -0.124 0.000 1.029 637 S CA 0.923 59.132 58.200 0.015 0.000 0.988 637 S CB -0.275 62.982 63.200 0.095 0.000 0.838 637 S HN 0.333 nan 8.310 nan 0.000 0.462 638 M N 0.973 120.409 119.600 -0.273 0.000 2.117 638 M HA -0.044 4.434 4.480 -0.004 0.000 0.262 638 M C 2.247 178.395 176.300 -0.254 0.000 1.065 638 M CA 1.148 56.268 55.300 -0.300 0.000 1.114 638 M CB -1.459 30.862 32.600 -0.466 0.000 1.361 638 M HN 0.177 nan 8.290 nan 0.000 0.408 639 V N 0.768 120.528 119.914 -0.257 0.000 2.295 639 V HA -0.251 3.867 4.120 -0.004 0.000 0.246 639 V C 2.551 178.462 176.094 -0.305 0.000 1.049 639 V CA 1.479 63.627 62.300 -0.253 0.000 1.024 639 V CB -0.678 30.935 31.823 -0.351 0.000 0.648 639 V HN 0.408 nan 8.190 nan 0.000 0.447 640 L N 0.385 121.364 121.223 -0.407 0.000 2.131 640 L HA -0.072 4.266 4.340 -0.004 0.000 0.210 640 L C 2.271 178.614 176.870 -0.878 0.000 1.092 640 L CA 1.560 56.063 54.840 -0.563 0.000 0.759 640 L CB -0.761 40.929 42.059 -0.614 0.000 0.903 640 L HN 0.491 nan 8.230 nan 0.000 0.435 641 G N -1.350 106.917 108.800 -0.889 0.000 3.088 641 G HA2 -0.066 3.891 3.960 -0.004 0.000 0.212 641 G HA3 -0.066 3.891 3.960 -0.004 0.000 0.212 641 G C 1.516 176.253 174.900 -0.272 0.000 1.173 641 G CA 0.587 45.291 45.100 -0.660 0.000 0.779 641 G HN 0.447 nan 8.290 nan 0.000 0.540 642 S N -0.666 114.900 115.700 -0.222 0.000 2.489 642 S HA 0.284 4.752 4.470 -0.004 0.000 0.228 642 S C 1.985 176.539 174.600 -0.076 0.000 0.995 642 S CA 1.031 59.164 58.200 -0.112 0.000 0.934 642 S CB -0.138 63.017 63.200 -0.076 0.000 0.771 642 S HN 1.357 nan 8.310 nan 0.000 0.522 643 G N 1.338 110.083 108.800 -0.092 0.000 2.148 643 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.254 643 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.254 643 G C 1.000 175.886 174.900 -0.024 0.000 0.981 643 G CA 0.968 46.036 45.100 -0.053 0.000 0.670 643 G HN 1.288 nan 8.290 nan 0.000 0.528 644 S N -0.581 115.115 115.700 -0.006 0.000 2.423 644 S HA 0.280 4.748 4.470 -0.004 0.000 0.231 644 S C 2.603 177.204 174.600 0.001 0.000 1.014 644 S CA 1.739 59.946 58.200 0.012 0.000 0.965 644 S CB -0.304 62.930 63.200 0.056 0.000 0.785 644 S HN 2.432 nan 8.310 nan 0.000 0.495 645 G N -0.077 108.729 108.800 0.010 0.000 2.184 645 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.264 645 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.264 645 G C 0.763 175.646 174.900 -0.028 0.000 0.975 645 G CA 0.421 45.519 45.100 -0.003 0.000 0.642 645 G HN 0.708 nan 8.290 nan 0.000 0.536 646 V N -0.540 119.342 119.914 -0.054 0.000 2.591 646 V HA 0.285 4.403 4.120 -0.004 0.000 0.249 646 V C 1.085 176.943 176.094 -0.393 0.000 1.053 646 V CA 1.376 63.510 62.300 -0.276 0.000 1.068 646 V CB -0.298 31.262 31.823 -0.437 0.000 0.689 646 V HN 0.297 nan 8.190 nan 0.000 0.462 647 F N -0.048 119.916 119.950 0.023 0.000 2.427 647 F HA 0.399 4.924 4.527 -0.004 0.000 0.346 647 F C 1.081 176.927 175.800 0.077 0.000 1.120 647 F CA -0.605 57.437 58.000 0.069 0.000 1.033 647 F CB 1.507 40.548 39.000 0.068 0.000 1.126 647 F HN -0.251 nan 8.300 nan 0.000 0.462 648 K N 1.861 122.420 120.400 0.265 0.000 2.062 648 K HA 0.021 4.339 4.320 -0.004 0.000 0.205 648 K C -0.009 176.724 176.600 0.223 0.000 1.051 648 K CA 1.177 57.589 56.287 0.209 0.000 0.941 648 K CB 0.200 32.831 32.500 0.218 0.000 0.719 648 K HN 0.803 nan 8.250 nan 0.000 0.440 649 c N -3.391 115.381 118.600 0.286 0.000 3.320 649 c HA 0.898 5.465 4.570 -0.004 0.000 0.335 649 c C -0.167 174.142 174.090 0.366 0.000 1.430 649 c CA -0.578 55.935 56.329 0.307 0.000 1.271 649 c CB 1.105 43.741 42.510 0.210 0.000 1.609 649 c HN 0.380 nan 8.230 nan 0.000 0.457 650 G N -0.310 108.767 108.800 0.461 0.000 2.576 650 G HA2 0.719 4.677 3.960 -0.004 0.000 0.290 650 G HA3 0.719 4.677 3.960 -0.004 0.000 0.290 650 G C -2.166 172.975 174.900 0.403 0.000 1.442 650 G CA -0.698 44.656 45.100 0.422 0.000 0.792 650 G HN 1.023 nan 8.290 nan 0.000 0.491 651 I N 0.735 121.504 120.570 0.332 0.000 2.478 651 I HA 0.578 4.746 4.170 -0.004 0.000 0.287 651 I C 0.131 176.368 176.117 0.200 0.000 1.042 651 I CA -0.886 60.498 61.300 0.139 0.000 1.067 651 I CB 2.162 40.242 38.000 0.133 0.000 1.233 651 I HN 0.673 nan 8.210 nan 0.000 0.431 652 A N 6.639 129.476 122.820 0.029 0.000 2.271 652 A HA 0.776 5.094 4.320 -0.004 0.000 0.317 652 A C -0.630 176.869 177.584 -0.141 0.000 1.245 652 A CA -0.491 51.563 52.037 0.029 0.000 0.857 652 A CB 0.985 20.056 19.000 0.118 0.000 1.175 652 A HN 0.441 nan 8.150 nan 0.000 0.512 653 V N 2.246 122.028 119.914 -0.219 0.000 2.370 653 V HA 0.554 4.672 4.120 -0.004 0.000 0.283 653 V C 0.923 176.614 176.094 -0.672 0.000 1.023 653 V CA 0.339 62.287 62.300 -0.586 0.000 0.857 653 V CB 0.584 31.765 31.823 -1.071 0.000 0.985 653 V HN 2.074 nan 8.190 nan 0.000 0.443 654 A N 5.767 128.187 122.820 -0.666 0.000 2.560 654 A HA -0.100 4.218 4.320 -0.004 0.000 0.299 654 A C -1.628 175.795 177.584 -0.268 0.000 1.484 654 A CA 0.271 51.824 52.037 -0.808 0.000 0.749 654 A CB -1.594 17.043 19.000 -0.606 0.000 1.072 654 A HN 0.636 nan 8.150 nan 0.000 0.426 655 P HA 0.336 nan 4.420 nan 0.000 0.271 655 P C 0.341 177.618 177.300 -0.039 0.000 1.216 655 P CA 0.046 63.129 63.100 -0.029 0.000 0.776 655 P CB 1.053 32.759 31.700 0.010 0.000 0.881 656 V N 2.911 122.710 119.914 -0.191 0.000 2.740 656 V HA 0.014 4.132 4.120 -0.004 0.000 0.303 656 V C 1.784 177.708 176.094 -0.282 0.000 1.054 656 V CA 1.212 63.259 62.300 -0.421 0.000 1.106 656 V CB 0.523 31.715 31.823 -1.052 0.000 0.957 656 V HN 0.835 nan 8.190 nan 0.000 0.486 657 S N 3.633 119.188 115.700 -0.241 0.000 2.589 657 S HA 0.294 4.762 4.470 -0.004 0.000 0.235 657 S C 0.508 174.962 174.600 -0.243 0.000 1.051 657 S CA -0.367 57.758 58.200 -0.126 0.000 0.978 657 S CB 0.336 63.523 63.200 -0.022 0.000 0.929 657 S HN 0.728 nan 8.310 nan 0.000 0.523 658 R N -0.797 119.439 120.500 -0.440 0.000 2.522 658 R HA 0.338 4.676 4.340 -0.004 0.000 0.273 658 R C -1.055 174.940 176.300 -0.508 0.000 1.133 658 R CA -0.644 55.146 56.100 -0.516 0.000 0.969 658 R CB 0.337 30.188 30.300 -0.749 0.000 1.235 658 R HN 0.229 nan 8.270 nan 0.000 0.433 659 W N 2.055 123.281 121.300 -0.123 0.000 2.374 659 W HA -0.056 4.602 4.660 -0.004 0.000 0.288 659 W C 1.287 177.932 176.519 0.210 0.000 1.218 659 W CA 0.815 58.176 57.345 0.026 0.000 1.245 659 W CB 0.319 29.727 29.460 -0.086 0.000 1.126 659 W HN 0.698 nan 8.180 nan 0.000 0.545 660 E N -0.864 119.505 120.200 0.283 0.000 2.333 660 E HA -0.212 4.136 4.350 -0.004 0.000 0.198 660 E C 1.283 177.996 176.600 0.189 0.000 1.007 660 E CA 0.910 57.400 56.400 0.149 0.000 0.845 660 E CB -0.264 29.418 29.700 -0.031 0.000 0.766 660 E HN 0.394 nan 8.360 nan 0.000 0.507 661 Y N -1.545 118.845 120.300 0.149 0.000 2.523 661 Y HA 0.056 4.604 4.550 -0.004 0.000 0.279 661 Y C 0.681 176.688 175.900 0.179 0.000 1.139 661 Y CA -0.265 57.901 58.100 0.109 0.000 1.296 661 Y CB -0.408 38.064 38.460 0.020 0.000 1.045 661 Y HN 0.014 nan 8.280 nan 0.000 0.538 662 Y N 1.956 122.410 120.300 0.257 0.000 2.392 662 Y HA 0.283 4.831 4.550 -0.004 0.000 0.323 662 Y C 0.353 176.462 175.900 0.349 0.000 1.291 662 Y CA -2.151 56.110 58.100 0.267 0.000 1.345 662 Y CB 0.385 39.025 38.460 0.301 0.000 1.320 662 Y HN 0.201 nan 8.280 nan 0.000 0.518 663 D N -0.440 119.651 120.400 -0.515 0.000 2.382 663 D HA 0.073 4.711 4.640 -0.004 0.000 0.240 663 D C 0.957 177.236 176.300 -0.034 0.000 1.146 663 D CA 0.415 54.200 54.000 -0.359 0.000 0.897 663 D CB 0.870 41.238 40.800 -0.720 0.000 1.197 663 D HN 0.485 nan 8.370 nan 0.000 0.432 664 S N 1.152 116.841 115.700 -0.018 0.000 2.356 664 S HA -0.217 4.251 4.470 -0.004 0.000 0.223 664 S C 1.879 176.513 174.600 0.057 0.000 1.032 664 S CA 1.168 59.411 58.200 0.072 0.000 1.005 664 S CB -0.941 62.304 63.200 0.076 0.000 0.867 664 S HN 0.431 nan 8.310 nan 0.000 0.449 665 V N 0.709 120.599 119.914 -0.040 0.000 2.307 665 V HA -0.128 3.990 4.120 -0.004 0.000 0.245 665 V C 2.301 178.324 176.094 -0.117 0.000 1.045 665 V CA 2.069 64.264 62.300 -0.174 0.000 1.024 665 V CB -1.063 30.504 31.823 -0.428 0.000 0.651 665 V HN 0.588 nan 8.190 nan 0.000 0.449 666 Y N 1.407 121.659 120.300 -0.081 0.000 2.133 666 Y HA -0.234 4.313 4.550 -0.004 0.000 0.287 666 Y C 2.730 178.644 175.900 0.025 0.000 1.134 666 Y CA 2.374 60.506 58.100 0.053 0.000 1.133 666 Y CB -0.567 38.118 38.460 0.375 0.000 0.987 666 Y HN 0.212 nan 8.280 nan 0.000 0.502 667 T N 0.317 115.097 114.554 0.377 0.000 2.708 667 T HA -0.190 4.158 4.350 -0.004 0.000 0.266 667 T C 1.538 176.229 174.700 -0.015 0.000 1.037 667 T CA 1.919 64.177 62.100 0.263 0.000 1.146 667 T CB -0.292 68.860 68.868 0.473 0.000 0.865 667 T HN 0.440 nan 8.240 nan 0.000 0.435 668 E N 0.494 120.705 120.200 0.019 0.000 2.268 668 E HA -0.052 4.296 4.350 -0.004 0.000 0.195 668 E C 2.304 178.788 176.600 -0.194 0.000 0.995 668 E CA 0.338 56.737 56.400 -0.002 0.000 0.836 668 E CB -0.084 29.662 29.700 0.077 0.000 0.763 668 E HN 0.310 nan 8.360 nan 0.000 0.491 669 R N 0.097 120.320 120.500 -0.463 0.000 2.105 669 R HA -0.196 4.142 4.340 -0.004 0.000 0.239 669 R C 1.267 177.019 176.300 -0.914 0.000 1.135 669 R CA 1.633 57.258 56.100 -0.792 0.000 0.967 669 R CB -0.016 29.490 30.300 -1.324 0.000 0.861 669 R HN 0.232 nan 8.270 nan 0.000 0.442 670 Y N -2.283 117.698 120.300 -0.531 0.000 2.524 670 Y HA 0.208 4.756 4.550 -0.004 0.000 0.270 670 Y C 1.738 177.454 175.900 -0.306 0.000 1.094 670 Y CA 0.121 57.905 58.100 -0.527 0.000 1.276 670 Y CB 0.340 38.368 38.460 -0.720 0.000 1.130 670 Y HN -0.036 nan 8.280 nan 0.000 0.536 671 M N -0.379 119.114 119.600 -0.179 0.000 2.308 671 M HA 0.351 4.828 4.480 -0.004 0.000 0.269 671 M C 1.139 177.448 176.300 0.016 0.000 1.040 671 M CA 0.734 55.919 55.300 -0.192 0.000 1.024 671 M CB -0.380 31.889 32.600 -0.552 0.000 1.465 671 M HN 0.359 nan 8.290 nan 0.000 0.517 672 G N 1.959 110.787 108.800 0.046 0.000 2.601 672 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.261 672 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.261 672 G C -0.638 174.407 174.900 0.242 0.000 1.289 672 G CA -0.684 44.486 45.100 0.116 0.000 0.920 672 G HN 0.259 nan 8.290 nan 0.000 0.571 673 L N 2.557 123.890 121.223 0.183 0.000 2.325 673 L HA 0.529 4.866 4.340 -0.004 0.000 0.279 673 L C -1.400 175.488 176.870 0.029 0.000 1.054 673 L CA -2.080 52.822 54.840 0.103 0.000 0.804 673 L CB 1.240 43.321 42.059 0.035 0.000 1.200 673 L HN 0.429 nan 8.230 nan 0.000 0.436 674 P HA 0.114 nan 4.420 nan 0.000 0.220 674 P C -0.660 176.513 177.300 -0.211 0.000 1.806 674 P CA -0.160 62.595 63.100 -0.576 0.000 0.976 674 P CB -0.438 30.576 31.700 -1.143 0.000 1.952 675 T N -2.558 111.953 114.554 -0.071 0.000 2.924 675 T HA 0.482 4.830 4.350 -0.004 0.000 0.291 675 T C -2.193 172.510 174.700 0.006 0.000 1.045 675 T CA -2.513 59.568 62.100 -0.032 0.000 1.015 675 T CB 1.719 70.576 68.868 -0.018 0.000 1.103 675 T HN -0.271 nan 8.240 nan 0.000 0.496 676 P HA -0.064 nan 4.420 nan 0.000 0.218 676 P C 0.957 178.272 177.300 0.026 0.000 1.148 676 P CA 1.062 64.175 63.100 0.020 0.000 0.822 676 P CB 0.070 31.778 31.700 0.013 0.000 0.784 677 E N -1.285 118.926 120.200 0.019 0.000 2.274 677 E HA -0.095 4.253 4.350 -0.004 0.000 0.194 677 E C 1.432 178.049 176.600 0.029 0.000 0.996 677 E CA 0.870 57.281 56.400 0.019 0.000 0.840 677 E CB -0.378 29.328 29.700 0.011 0.000 0.772 677 E HN 0.313 nan 8.360 nan 0.000 0.491 678 D N -0.732 119.692 120.400 0.040 0.000 2.970 678 D HA 0.102 4.739 4.640 -0.004 0.000 0.236 678 D C 0.217 176.571 176.300 0.090 0.000 1.415 678 D CA 0.073 54.108 54.000 0.059 0.000 1.279 678 D CB -0.050 40.787 40.800 0.061 0.000 0.932 678 D HN -0.003 nan 8.370 nan 0.000 0.216 679 N N -0.031 118.757 118.700 0.146 0.000 2.377 679 N HA 0.052 4.790 4.740 -0.004 0.000 0.259 679 N C 1.123 176.819 175.510 0.310 0.000 1.332 679 N CA -0.109 53.070 53.050 0.215 0.000 0.877 679 N CB 0.807 39.440 38.487 0.243 0.000 1.299 679 N HN 0.006 nan 8.380 nan 0.000 0.501 680 L N 1.079 122.415 121.223 0.187 0.000 2.079 680 L HA -0.129 4.209 4.340 -0.004 0.000 0.210 680 L C 1.403 178.381 176.870 0.180 0.000 1.081 680 L CA 1.967 56.896 54.840 0.148 0.000 0.752 680 L CB -0.381 41.700 42.059 0.037 0.000 0.896 680 L HN 0.151 nan 8.230 nan 0.000 0.433 681 D N -1.502 118.987 120.400 0.147 0.000 2.123 681 D HA -0.243 4.394 4.640 -0.004 0.000 0.196 681 D C 2.077 178.471 176.300 0.157 0.000 0.992 681 D CA 1.669 55.744 54.000 0.125 0.000 0.833 681 D CB -0.155 40.706 40.800 0.102 0.000 0.954 681 D HN 0.544 nan 8.370 nan 0.000 0.455 682 H N -0.799 118.333 119.070 0.103 0.000 2.395 682 H HA -0.068 4.485 4.556 -0.004 0.000 0.299 682 H C 1.703 177.093 175.328 0.103 0.000 1.070 682 H CA 1.283 57.371 56.048 0.068 0.000 1.356 682 H CB -0.373 29.391 29.762 0.003 0.000 1.401 682 H HN 0.157 nan 8.280 nan 0.000 0.524 683 Y N 0.419 120.710 120.300 -0.017 0.000 2.102 683 Y HA -0.251 4.296 4.550 -0.004 0.000 0.280 683 Y C 2.474 178.339 175.900 -0.058 0.000 1.178 683 Y CA 1.747 59.841 58.100 -0.009 0.000 1.146 683 Y CB 0.051 38.538 38.460 0.044 0.000 0.968 683 Y HN 0.143 nan 8.280 nan 0.000 0.504 684 R N -0.538 120.035 120.500 0.122 0.000 2.193 684 R HA -0.072 4.265 4.340 -0.004 0.000 0.213 684 R C 1.423 177.717 176.300 -0.010 0.000 1.055 684 R CA 0.901 57.027 56.100 0.042 0.000 0.995 684 R CB -0.663 29.663 30.300 0.043 0.000 0.893 684 R HN 0.313 nan 8.270 nan 0.000 0.459 685 N N 0.451 119.120 118.700 -0.052 0.000 2.412 685 N HA -0.056 4.682 4.740 -0.004 0.000 0.184 685 N C 0.310 175.756 175.510 -0.107 0.000 1.101 685 N CA 0.427 53.443 53.050 -0.058 0.000 0.881 685 N CB 0.324 38.811 38.487 0.001 0.000 0.969 685 N HN 0.088 nan 8.380 nan 0.000 0.459 686 S N -1.441 114.154 115.700 -0.174 0.000 2.588 686 S HA 0.148 4.616 4.470 -0.004 0.000 0.245 686 S C 0.330 174.970 174.600 0.066 0.000 1.021 686 S CA -0.682 57.469 58.200 -0.081 0.000 1.006 686 S CB -0.672 62.403 63.200 -0.207 0.000 0.830 686 S HN 0.192 nan 8.310 nan 0.000 0.468 687 T N -1.522 113.032 114.554 -0.001 0.000 2.922 687 T HA 0.523 4.871 4.350 -0.004 0.000 0.285 687 T C 1.356 176.050 174.700 -0.009 0.000 1.005 687 T CA -0.633 61.456 62.100 -0.018 0.000 1.061 687 T CB 1.362 70.190 68.868 -0.067 0.000 1.007 687 T HN -0.041 nan 8.240 nan 0.000 0.502 688 V N 1.918 121.824 119.914 -0.013 0.000 2.358 688 V HA -0.151 3.967 4.120 -0.004 0.000 0.246 688 V C 2.647 178.718 176.094 -0.039 0.000 1.047 688 V CA 1.771 64.054 62.300 -0.029 0.000 1.035 688 V CB -0.969 30.831 31.823 -0.038 0.000 0.658 688 V HN 0.823 nan 8.190 nan 0.000 0.452 689 M N 1.214 120.777 119.600 -0.061 0.000 2.149 689 M HA -0.161 4.317 4.480 -0.004 0.000 0.261 689 M C 2.328 178.603 176.300 -0.041 0.000 1.064 689 M CA 2.140 57.397 55.300 -0.072 0.000 1.102 689 M CB -1.001 31.568 32.600 -0.052 0.000 1.369 689 M HN 0.543 nan 8.290 nan 0.000 0.408 690 S N -0.527 115.159 115.700 -0.022 0.000 2.507 690 S HA -0.082 4.386 4.470 -0.004 0.000 0.235 690 S C 1.794 176.400 174.600 0.011 0.000 0.988 690 S CA 0.733 58.929 58.200 -0.007 0.000 0.944 690 S CB -0.403 62.792 63.200 -0.007 0.000 0.762 690 S HN 0.500 nan 8.310 nan 0.000 0.526 691 R N 0.415 120.935 120.500 0.033 0.000 2.388 691 R HA 0.471 4.809 4.340 -0.004 0.000 0.247 691 R C 2.114 178.515 176.300 0.169 0.000 0.931 691 R CA 0.457 56.603 56.100 0.077 0.000 1.082 691 R CB -0.228 30.116 30.300 0.074 0.000 1.135 691 R HN 0.484 nan 8.270 nan 0.000 0.525 692 A N 1.146 124.019 122.820 0.089 0.000 1.940 692 A HA -0.253 4.064 4.320 -0.004 0.000 0.219 692 A C 1.969 179.639 177.584 0.143 0.000 1.176 692 A CA 1.707 53.777 52.037 0.054 0.000 0.631 692 A CB -0.212 18.740 19.000 -0.081 0.000 0.814 692 A HN 0.257 nan 8.150 nan 0.000 0.446 693 E N 0.377 120.633 120.200 0.093 0.000 2.118 693 E HA -0.176 4.172 4.350 -0.004 0.000 0.195 693 E C 1.659 178.316 176.600 0.096 0.000 0.992 693 E CA 1.711 58.159 56.400 0.080 0.000 0.804 693 E CB -0.428 29.301 29.700 0.047 0.000 0.741 693 E HN 0.795 nan 8.360 nan 0.000 0.458 694 N N -1.258 117.496 118.700 0.090 0.000 2.459 694 N HA -0.068 4.670 4.740 -0.004 0.000 0.181 694 N C 0.827 176.318 175.510 -0.032 0.000 1.046 694 N CA 0.241 53.295 53.050 0.007 0.000 0.904 694 N CB -0.087 38.358 38.487 -0.071 0.000 0.964 694 N HN 0.155 nan 8.380 nan 0.000 0.444 695 F N 1.446 121.352 119.950 -0.074 0.000 2.546 695 F HA -0.010 4.515 4.527 -0.004 0.000 0.298 695 F C 1.890 177.692 175.800 0.003 0.000 1.120 695 F CA 0.627 58.580 58.000 -0.078 0.000 1.456 695 F CB 0.025 38.930 39.000 -0.159 0.000 1.088 695 F HN -0.064 nan 8.300 nan 0.000 0.572 696 K N 0.133 120.630 120.400 0.161 0.000 2.211 696 K HA -0.227 4.091 4.320 -0.004 0.000 0.204 696 K C 1.667 178.324 176.600 0.095 0.000 1.047 696 K CA 1.305 57.666 56.287 0.124 0.000 0.935 696 K CB -0.244 32.311 32.500 0.090 0.000 0.728 696 K HN 0.440 nan 8.250 nan 0.000 0.452 697 Q N 0.291 120.125 119.800 0.057 0.000 2.432 697 Q HA 0.004 4.342 4.340 -0.004 0.000 0.205 697 Q C 0.485 176.519 176.000 0.057 0.000 0.945 697 Q CA 0.282 56.109 55.803 0.040 0.000 0.924 697 Q CB 0.490 29.230 28.738 0.004 0.000 1.016 697 Q HN 0.170 nan 8.270 nan 0.000 0.503 698 V N -2.782 117.179 119.914 0.078 0.000 3.074 698 V HA 0.473 4.591 4.120 -0.004 0.000 0.314 698 V C -1.168 175.058 176.094 0.219 0.000 1.117 698 V CA -1.300 61.072 62.300 0.120 0.000 1.014 698 V CB 2.242 34.099 31.823 0.055 0.000 1.057 698 V HN -0.051 nan 8.190 nan 0.000 0.438 699 E N 1.692 122.049 120.200 0.263 0.000 2.146 699 E HA 0.492 4.840 4.350 -0.004 0.000 0.282 699 E C -1.727 175.233 176.600 0.599 0.000 0.989 699 E CA -0.262 56.368 56.400 0.383 0.000 0.799 699 E CB 1.559 31.413 29.700 0.257 0.000 1.088 699 E HN 0.679 nan 8.360 nan 0.000 0.397 700 Y N 3.158 123.725 120.300 0.445 0.000 2.425 700 Y HA 0.515 5.063 4.550 -0.004 0.000 0.344 700 Y C -1.715 174.274 175.900 0.148 0.000 0.969 700 Y CA -1.598 56.702 58.100 0.334 0.000 1.052 700 Y CB 1.180 39.857 38.460 0.360 0.000 1.215 700 Y HN 0.444 nan 8.280 nan 0.000 0.451 701 L N 7.287 128.261 121.223 -0.415 0.000 2.376 701 L HA 0.632 4.970 4.340 -0.004 0.000 0.275 701 L C -2.252 174.189 176.870 -0.714 0.000 0.987 701 L CA -0.770 53.671 54.840 -0.665 0.000 0.828 701 L CB 1.447 42.794 42.059 -1.187 0.000 1.249 701 L HN 0.631 nan 8.230 nan 0.000 0.409 702 L N 6.512 127.398 121.223 -0.561 0.000 2.313 702 L HA 0.716 5.054 4.340 -0.004 0.000 0.283 702 L C -1.171 175.580 176.870 -0.198 0.000 1.013 702 L CA -0.046 54.512 54.840 -0.470 0.000 0.816 702 L CB 1.286 43.107 42.059 -0.398 0.000 1.236 702 L HN 0.599 nan 8.230 nan 0.000 0.419 703 I N 4.384 124.851 120.570 -0.171 0.000 2.582 703 I HA 0.456 4.624 4.170 -0.004 0.000 0.292 703 I C -1.241 174.866 176.117 -0.017 0.000 1.066 703 I CA -0.685 60.569 61.300 -0.076 0.000 1.053 703 I CB 2.123 40.038 38.000 -0.142 0.000 1.241 703 I HN 0.679 nan 8.210 nan 0.000 0.421 704 H N 2.205 121.326 119.070 0.086 0.000 3.085 704 H HA 0.500 5.053 4.556 -0.004 0.000 0.356 704 H C -0.394 175.162 175.328 0.381 0.000 1.178 704 H CA -0.594 55.550 56.048 0.161 0.000 1.214 704 H CB 2.080 31.870 29.762 0.047 0.000 1.881 704 H HN 0.742 nan 8.280 nan 0.000 0.538 705 G N 0.865 109.999 108.800 0.558 0.000 2.372 705 G HA2 0.223 4.181 3.960 -0.004 0.000 0.283 705 G HA3 0.223 4.181 3.960 -0.004 0.000 0.283 705 G C 1.134 176.323 174.900 0.483 0.000 1.177 705 G CA 0.134 45.530 45.100 0.494 0.000 0.842 705 G HN 0.751 nan 8.290 nan 0.000 0.503 706 T N -0.505 114.194 114.554 0.241 0.000 2.951 706 T HA 0.046 4.394 4.350 -0.004 0.000 0.268 706 T C 1.746 176.442 174.700 -0.006 0.000 1.073 706 T CA 1.302 63.362 62.100 -0.066 0.000 1.134 706 T CB 0.119 68.877 68.868 -0.183 0.000 0.884 706 T HN 0.684 nan 8.240 nan 0.000 0.479 707 A N 1.177 124.070 122.820 0.122 0.000 2.684 707 A HA 0.309 4.627 4.320 -0.004 0.000 0.288 707 A C 0.388 177.959 177.584 -0.022 0.000 1.337 707 A CA -0.494 51.601 52.037 0.096 0.000 0.946 707 A CB -0.390 18.928 19.000 0.529 0.000 1.093 707 A HN 0.383 nan 8.150 nan 0.000 0.543 708 D N 1.437 121.825 120.400 -0.019 0.000 2.352 708 D HA 0.010 4.648 4.640 -0.004 0.000 0.245 708 D C 0.400 176.665 176.300 -0.058 0.000 1.224 708 D CA -0.041 54.044 54.000 0.142 0.000 0.879 708 D CB 0.670 41.706 40.800 0.394 0.000 1.057 708 D HN 0.560 nan 8.370 nan 0.000 0.491 709 D N 2.113 122.518 120.400 0.009 0.000 2.363 709 D HA -0.111 4.527 4.640 -0.004 0.000 0.220 709 D C 0.922 177.192 176.300 -0.050 0.000 0.994 709 D CA 0.191 54.151 54.000 -0.067 0.000 0.890 709 D CB 0.345 41.046 40.800 -0.165 0.000 0.906 709 D HN 0.453 nan 8.370 nan 0.000 0.530 710 N N -0.064 118.682 118.700 0.078 0.000 2.530 710 N HA -0.015 4.723 4.740 -0.004 0.000 0.216 710 N C -0.247 175.199 175.510 -0.107 0.000 1.031 710 N CA 0.016 53.145 53.050 0.132 0.000 1.063 710 N CB 0.826 39.407 38.487 0.157 0.000 1.346 710 N HN -0.183 nan 8.380 nan 0.000 0.515 711 V N 3.263 123.110 119.914 -0.111 0.000 2.320 711 V HA 0.194 4.312 4.120 -0.004 0.000 0.265 711 V C -0.748 175.402 176.094 0.092 0.000 1.048 711 V CA -0.531 61.760 62.300 -0.014 0.000 0.865 711 V CB 0.164 32.022 31.823 0.059 0.000 1.043 711 V HN 0.364 nan 8.190 nan 0.000 0.474 712 H N 3.673 122.741 119.070 -0.003 0.000 2.897 712 H HA 0.018 4.572 4.556 -0.004 0.000 0.347 712 H C 0.863 176.070 175.328 -0.202 0.000 1.068 712 H CA -0.299 55.666 56.048 -0.138 0.000 1.426 712 H CB 0.511 30.106 29.762 -0.279 0.000 1.410 712 H HN 0.631 nan 8.280 nan 0.000 0.597 713 F N 2.119 121.886 119.950 -0.305 0.000 2.184 713 F HA -0.315 4.210 4.527 -0.004 0.000 0.301 713 F C 2.584 178.105 175.800 -0.465 0.000 1.076 713 F CA 1.974 59.580 58.000 -0.657 0.000 1.295 713 F CB -0.054 38.738 39.000 -0.347 0.000 1.026 713 F HN 0.661 nan 8.300 nan 0.000 0.494 714 Q N 0.109 119.787 119.800 -0.204 0.000 2.182 714 Q HA -0.343 3.995 4.340 -0.004 0.000 0.213 714 Q C 2.128 177.890 176.000 -0.396 0.000 1.000 714 Q CA 2.474 58.096 55.803 -0.302 0.000 0.889 714 Q CB -0.342 28.182 28.738 -0.356 0.000 0.932 714 Q HN 0.604 nan 8.270 nan 0.000 0.415 715 Q N -0.519 119.088 119.800 -0.321 0.000 2.050 715 Q HA -0.121 4.216 4.340 -0.004 0.000 0.202 715 Q C 2.269 178.164 176.000 -0.175 0.000 0.980 715 Q CA 1.737 57.461 55.803 -0.132 0.000 0.840 715 Q CB -0.083 28.662 28.738 0.012 0.000 0.898 715 Q HN 0.336 nan 8.270 nan 0.000 0.424 716 S N 0.726 116.215 115.700 -0.352 0.000 2.406 716 S HA -0.017 4.451 4.470 -0.004 0.000 0.228 716 S C 2.050 176.400 174.600 -0.415 0.000 1.020 716 S CA 0.704 58.696 58.200 -0.348 0.000 0.965 716 S CB -0.104 62.876 63.200 -0.366 0.000 0.798 716 S HN 0.460 nan 8.310 nan 0.000 0.488 717 A N 1.485 123.967 122.820 -0.562 0.000 1.940 717 A HA -0.155 4.163 4.320 -0.004 0.000 0.219 717 A C 2.132 179.614 177.584 -0.170 0.000 1.176 717 A CA 1.206 53.053 52.037 -0.316 0.000 0.631 717 A CB -0.402 18.472 19.000 -0.210 0.000 0.814 717 A HN 0.385 nan 8.150 nan 0.000 0.446 718 Q N -0.611 119.093 119.800 -0.161 0.000 2.187 718 Q HA 0.021 4.359 4.340 -0.004 0.000 0.199 718 Q C 2.132 178.080 176.000 -0.086 0.000 0.957 718 Q CA 0.918 56.680 55.803 -0.070 0.000 0.857 718 Q CB -0.282 28.480 28.738 0.040 0.000 0.929 718 Q HN 0.781 nan 8.270 nan 0.000 0.453 719 I N 1.315 121.807 120.570 -0.130 0.000 2.163 719 I HA -0.304 3.864 4.170 -0.004 0.000 0.243 719 I C 2.599 178.553 176.117 -0.272 0.000 1.085 719 I CA 1.607 62.786 61.300 -0.202 0.000 1.347 719 I CB -0.458 37.425 38.000 -0.195 0.000 1.044 719 I HN 0.187 nan 8.210 nan 0.000 0.408 720 S N 0.773 116.342 115.700 -0.218 0.000 2.368 720 S HA -0.265 4.203 4.470 -0.004 0.000 0.225 720 S C 2.043 176.619 174.600 -0.040 0.000 1.030 720 S CA 1.377 59.484 58.200 -0.154 0.000 0.999 720 S CB -0.438 62.815 63.200 0.088 0.000 0.844 720 S HN 0.379 nan 8.310 nan 0.000 0.459 721 K N 1.662 122.040 120.400 -0.037 0.000 2.057 721 K HA 0.010 4.328 4.320 -0.004 0.000 0.207 721 K C 2.300 178.882 176.600 -0.030 0.000 1.049 721 K CA 1.172 57.453 56.287 -0.010 0.000 0.931 721 K CB -0.671 31.820 32.500 -0.014 0.000 0.714 721 K HN 0.458 nan 8.250 nan 0.000 0.440 722 A N 1.041 123.815 122.820 -0.077 0.000 1.902 722 A HA -0.112 4.206 4.320 -0.004 0.000 0.217 722 A C 2.087 179.610 177.584 -0.102 0.000 1.181 722 A CA 1.253 53.239 52.037 -0.085 0.000 0.623 722 A CB -0.548 18.386 19.000 -0.111 0.000 0.818 722 A HN 0.314 nan 8.150 nan 0.000 0.443 723 L N -0.649 120.466 121.223 -0.179 0.000 2.027 723 L HA -0.139 4.199 4.340 -0.004 0.000 0.206 723 L C 2.532 179.421 176.870 0.031 0.000 1.074 723 L CA 1.004 55.742 54.840 -0.170 0.000 0.745 723 L CB -0.583 41.192 42.059 -0.473 0.000 0.898 723 L HN 0.237 nan 8.230 nan 0.000 0.433 724 V N -0.124 119.851 119.914 0.102 0.000 2.332 724 V HA -0.310 3.807 4.120 -0.004 0.000 0.248 724 V C 1.963 178.096 176.094 0.065 0.000 1.055 724 V CA 1.918 64.295 62.300 0.128 0.000 1.038 724 V CB -0.551 31.349 31.823 0.127 0.000 0.651 724 V HN 0.440 nan 8.190 nan 0.000 0.450 725 D N 0.077 120.496 120.400 0.032 0.000 2.264 725 D HA -0.083 4.555 4.640 -0.004 0.000 0.208 725 D C 1.719 178.033 176.300 0.023 0.000 0.966 725 D CA 1.517 55.530 54.000 0.022 0.000 0.864 725 D CB 0.026 40.831 40.800 0.009 0.000 0.933 725 D HN 0.572 nan 8.370 nan 0.000 0.499 726 V N -3.972 115.957 119.914 0.025 0.000 3.483 726 V HA 0.517 4.635 4.120 -0.004 0.000 0.301 726 V C 1.142 177.266 176.094 0.050 0.000 1.389 726 V CA 0.248 62.567 62.300 0.032 0.000 1.101 726 V CB 0.006 31.845 31.823 0.026 0.000 0.971 726 V HN 0.113 nan 8.190 nan 0.000 0.434 727 G N 0.553 109.391 108.800 0.063 0.000 2.256 727 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.272 727 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.272 727 G C -0.155 174.807 174.900 0.104 0.000 1.076 727 G CA 0.166 45.312 45.100 0.077 0.000 0.882 727 G HN 0.860 nan 8.290 nan 0.000 0.497 728 V N 0.304 120.300 119.914 0.138 0.000 2.427 728 V HA 0.507 4.625 4.120 -0.004 0.000 0.286 728 V C 0.303 176.578 176.094 0.302 0.000 1.034 728 V CA -0.593 61.820 62.300 0.188 0.000 0.893 728 V CB 1.836 33.757 31.823 0.164 0.000 0.982 728 V HN 0.417 nan 8.190 nan 0.000 0.452 729 D N 3.864 124.419 120.400 0.258 0.000 2.210 729 D HA 0.612 5.250 4.640 -0.004 0.000 0.249 729 D C -0.640 175.882 176.300 0.369 0.000 1.078 729 D CA 0.067 54.204 54.000 0.227 0.000 0.875 729 D CB 0.879 41.748 40.800 0.114 0.000 1.175 729 D HN 0.332 nan 8.370 nan 0.000 0.440 730 F N 0.173 120.200 119.950 0.128 0.000 2.745 730 F HA 0.547 5.072 4.527 -0.004 0.000 0.316 730 F C -1.393 174.466 175.800 0.098 0.000 1.155 730 F CA -1.096 57.003 58.000 0.164 0.000 0.937 730 F CB 0.776 39.907 39.000 0.218 0.000 1.361 730 F HN 0.053 nan 8.300 nan 0.000 0.472 731 Q N 1.265 121.132 119.800 0.112 0.000 2.306 731 Q HA 0.833 5.170 4.340 -0.004 0.000 0.265 731 Q C -0.960 175.034 176.000 -0.010 0.000 1.022 731 Q CA -0.886 54.894 55.803 -0.039 0.000 0.853 731 Q CB 2.177 30.929 28.738 0.024 0.000 1.327 731 Q HN 1.075 nan 8.270 nan 0.000 0.449 732 A N 1.510 124.301 122.820 -0.049 0.000 2.556 732 A HA 0.858 5.176 4.320 -0.004 0.000 0.294 732 A C -1.372 176.175 177.584 -0.061 0.000 1.091 732 A CA -0.577 51.464 52.037 0.007 0.000 0.704 732 A CB 1.989 21.052 19.000 0.106 0.000 1.300 732 A HN 0.614 nan 8.150 nan 0.000 0.406 733 M N 1.371 120.920 119.600 -0.086 0.000 2.255 733 M HA 0.565 5.043 4.480 -0.004 0.000 0.275 733 M C -1.851 174.347 176.300 -0.169 0.000 1.050 733 M CA -0.596 54.515 55.300 -0.315 0.000 0.978 733 M CB 1.085 33.397 32.600 -0.480 0.000 1.761 733 M HN 0.937 nan 8.290 nan 0.000 0.479 734 W N 4.251 125.420 121.300 -0.218 0.000 2.448 734 W HA 0.757 5.415 4.660 -0.004 0.000 0.339 734 W C -1.909 174.377 176.519 -0.388 0.000 1.124 734 W CA -0.743 56.549 57.345 -0.090 0.000 1.262 734 W CB 0.310 29.761 29.460 -0.015 0.000 1.251 734 W HN 0.620 nan 8.180 nan 0.000 0.597 735 Y N 2.266 122.699 120.300 0.220 0.000 2.388 735 Y HA 0.280 4.828 4.550 -0.004 0.000 0.328 735 Y C 0.507 176.521 175.900 0.190 0.000 0.963 735 Y CA -1.012 57.136 58.100 0.079 0.000 1.240 735 Y CB 1.456 39.937 38.460 0.035 0.000 1.118 735 Y HN 0.412 nan 8.280 nan 0.000 0.484 736 T N 4.632 119.354 114.554 0.281 0.000 2.831 736 T HA -0.036 4.312 4.350 -0.004 0.000 0.291 736 T C 0.177 174.963 174.700 0.142 0.000 0.981 736 T CA 0.797 63.019 62.100 0.202 0.000 1.174 736 T CB -0.175 68.751 68.868 0.097 0.000 0.929 736 T HN 0.729 nan 8.240 nan 0.000 0.532 737 D N 0.939 121.406 120.400 0.111 0.000 3.028 737 D HA -0.120 4.518 4.640 -0.004 0.000 0.207 737 D C 0.246 176.682 176.300 0.228 0.000 1.100 737 D CA 1.093 55.100 54.000 0.011 0.000 0.995 737 D CB -0.369 40.261 40.800 -0.284 0.000 1.108 737 D HN 0.545 nan 8.370 nan 0.000 0.421 738 E N 0.886 121.238 120.200 0.254 0.000 2.313 738 E HA 0.339 4.687 4.350 -0.004 0.000 0.272 738 E C 0.732 177.520 176.600 0.314 0.000 1.038 738 E CA -0.273 56.294 56.400 0.277 0.000 0.863 738 E CB 1.236 31.085 29.700 0.249 0.000 1.060 738 E HN 0.349 nan 8.360 nan 0.000 0.402 739 D N -0.329 120.266 120.400 0.325 0.000 2.541 739 D HA -0.004 4.634 4.640 -0.004 0.000 0.276 739 D C 1.068 177.603 176.300 0.392 0.000 1.190 739 D CA -0.151 54.064 54.000 0.358 0.000 1.095 739 D CB -0.175 40.858 40.800 0.387 0.000 1.173 739 D HN 0.408 nan 8.370 nan 0.000 0.604 740 H N -1.677 117.577 119.070 0.307 0.000 2.456 740 H HA 0.126 4.679 4.556 -0.004 0.000 0.296 740 H C 1.847 177.428 175.328 0.423 0.000 1.079 740 H CA 2.035 58.288 56.048 0.341 0.000 1.322 740 H CB -0.328 29.619 29.762 0.309 0.000 1.388 740 H HN 0.485 nan 8.280 nan 0.000 0.538 741 G N -0.425 108.554 108.800 0.298 0.000 2.880 741 G HA2 0.044 4.001 3.960 -0.004 0.000 0.209 741 G HA3 0.044 4.001 3.960 -0.004 0.000 0.209 741 G C 0.529 175.605 174.900 0.293 0.000 1.157 741 G CA 0.173 45.368 45.100 0.159 0.000 0.779 741 G HN 0.492 nan 8.290 nan 0.000 0.539 742 I N 0.134 120.911 120.570 0.345 0.000 3.815 742 I HA -0.334 3.834 4.170 -0.004 0.000 0.126 742 I C 1.478 177.722 176.117 0.212 0.000 1.050 742 I CA 0.228 61.675 61.300 0.246 0.000 2.736 742 I CB -0.991 37.119 38.000 0.183 0.000 1.417 742 I HN 0.257 nan 8.210 nan 0.000 0.341 743 A N 1.734 124.655 122.820 0.168 0.000 2.431 743 A HA 0.297 4.615 4.320 -0.004 0.000 0.239 743 A C 1.119 178.753 177.584 0.083 0.000 1.230 743 A CA 0.509 52.615 52.037 0.116 0.000 0.928 743 A CB 0.227 19.268 19.000 0.068 0.000 1.006 743 A HN 0.641 nan 8.150 nan 0.000 0.520 744 S N -0.314 115.448 115.700 0.103 0.000 2.576 744 S HA 0.138 4.605 4.470 -0.004 0.000 0.272 744 S C 1.257 175.907 174.600 0.083 0.000 1.352 744 S CA 0.438 58.690 58.200 0.087 0.000 1.021 744 S CB 1.032 64.291 63.200 0.098 0.000 0.887 744 S HN 0.523 nan 8.310 nan 0.000 0.542 745 S N 1.670 117.405 115.700 0.060 0.000 2.359 745 S HA -0.163 4.305 4.470 -0.004 0.000 0.224 745 S C 2.057 176.714 174.600 0.095 0.000 1.035 745 S CA 2.132 60.367 58.200 0.059 0.000 1.018 745 S CB -1.561 61.657 63.200 0.031 0.000 0.876 745 S HN 1.030 nan 8.310 nan 0.000 0.448 746 T N -0.181 114.420 114.554 0.078 0.000 2.812 746 T HA 0.197 4.545 4.350 -0.004 0.000 0.264 746 T C 1.994 176.749 174.700 0.092 0.000 1.042 746 T CA 1.198 63.346 62.100 0.080 0.000 1.140 746 T CB -0.880 68.024 68.868 0.060 0.000 0.870 746 T HN 0.444 nan 8.240 nan 0.000 0.445 747 A N 1.448 124.305 122.820 0.061 0.000 1.898 747 A HA -0.063 4.255 4.320 -0.004 0.000 0.216 747 A C 2.180 179.722 177.584 -0.069 0.000 1.181 747 A CA 1.935 53.943 52.037 -0.049 0.000 0.620 747 A CB -1.253 17.686 19.000 -0.101 0.000 0.819 747 A HN 0.729 nan 8.150 nan 0.000 0.442 748 H N -0.074 118.979 119.070 -0.030 0.000 2.289 748 H HA -0.190 4.364 4.556 -0.004 0.000 0.296 748 H C 2.137 177.523 175.328 0.096 0.000 1.091 748 H CA 2.501 58.583 56.048 0.057 0.000 1.274 748 H CB -0.213 29.587 29.762 0.064 0.000 1.364 748 H HN 0.582 nan 8.280 nan 0.000 0.490 749 Q N -1.066 118.757 119.800 0.039 0.000 2.084 749 Q HA -0.194 4.144 4.340 -0.004 0.000 0.202 749 Q C 2.296 178.284 176.000 -0.020 0.000 0.978 749 Q CA 1.363 57.144 55.803 -0.037 0.000 0.844 749 Q CB -0.222 28.530 28.738 0.023 0.000 0.898 749 Q HN 0.651 nan 8.270 nan 0.000 0.426 750 H N 0.648 119.690 119.070 -0.048 0.000 2.321 750 H HA -0.104 4.450 4.556 -0.004 0.000 0.300 750 H C 2.091 177.402 175.328 -0.027 0.000 1.087 750 H CA 1.457 57.505 56.048 0.001 0.000 1.319 750 H CB -0.027 29.789 29.762 0.090 0.000 1.379 750 H HN 0.277 nan 8.280 nan 0.000 0.501 751 I N 0.168 120.687 120.570 -0.086 0.000 2.226 751 I HA -0.324 3.844 4.170 -0.004 0.000 0.245 751 I C 1.773 177.646 176.117 -0.408 0.000 1.100 751 I CA 1.265 62.416 61.300 -0.249 0.000 1.374 751 I CB -0.235 37.442 38.000 -0.538 0.000 1.057 751 I HN 0.156 nan 8.210 nan 0.000 0.413 752 Y N 0.799 120.876 120.300 -0.372 0.000 2.314 752 Y HA -0.181 4.367 4.550 -0.004 0.000 0.293 752 Y C 2.711 178.410 175.900 -0.336 0.000 1.129 752 Y CA 1.714 59.486 58.100 -0.548 0.000 1.201 752 Y CB -0.867 37.260 38.460 -0.554 0.000 0.999 752 Y HN 0.133 nan 8.280 nan 0.000 0.541 753 T N -1.504 112.979 114.554 -0.118 0.000 2.708 753 T HA -0.244 4.104 4.350 -0.004 0.000 0.266 753 T C 1.582 176.197 174.700 -0.141 0.000 1.037 753 T CA 1.961 63.965 62.100 -0.159 0.000 1.146 753 T CB -0.459 68.310 68.868 -0.166 0.000 0.865 753 T HN 0.411 nan 8.240 nan 0.000 0.435 754 H N 0.742 119.708 119.070 -0.172 0.000 2.321 754 H HA 0.101 4.655 4.556 -0.004 0.000 0.300 754 H C 2.207 177.539 175.328 0.007 0.000 1.087 754 H CA 1.595 57.616 56.048 -0.045 0.000 1.319 754 H CB -0.245 29.468 29.762 -0.082 0.000 1.379 754 H HN 0.252 nan 8.280 nan 0.000 0.501 755 M N -0.787 118.782 119.600 -0.052 0.000 2.159 755 M HA -0.170 4.308 4.480 -0.004 0.000 0.263 755 M C 2.416 178.848 176.300 0.220 0.000 1.063 755 M CA 1.542 56.806 55.300 -0.060 0.000 1.110 755 M CB -0.022 32.297 32.600 -0.469 0.000 1.374 755 M HN 0.218 nan 8.290 nan 0.000 0.411 756 S N -0.597 115.261 115.700 0.264 0.000 2.359 756 S HA -0.166 4.302 4.470 -0.004 0.000 0.224 756 S C 1.698 176.408 174.600 0.183 0.000 1.035 756 S CA 1.063 59.494 58.200 0.385 0.000 1.018 756 S CB -0.644 62.774 63.200 0.364 0.000 0.876 756 S HN 0.460 nan 8.310 nan 0.000 0.448 757 H N -0.053 119.089 119.070 0.119 0.000 2.353 757 H HA -0.083 4.471 4.556 -0.004 0.000 0.298 757 H C 1.982 177.324 175.328 0.023 0.000 1.103 757 H CA 1.477 57.548 56.048 0.038 0.000 1.293 757 H CB -0.741 28.997 29.762 -0.039 0.000 1.372 757 H HN 0.457 nan 8.280 nan 0.000 0.501 758 F N 1.149 121.102 119.950 0.005 0.000 2.102 758 F HA -0.173 4.352 4.527 -0.004 0.000 0.298 758 F C 2.331 178.090 175.800 -0.069 0.000 1.105 758 F CA 0.856 58.820 58.000 -0.059 0.000 1.239 758 F CB -0.285 38.655 39.000 -0.099 0.000 0.991 758 F HN -0.044 nan 8.300 nan 0.000 0.474 759 I N 0.709 121.293 120.570 0.022 0.000 2.179 759 I HA -0.285 3.882 4.170 -0.004 0.000 0.242 759 I C 2.266 178.173 176.117 -0.350 0.000 1.088 759 I CA 1.556 62.700 61.300 -0.259 0.000 1.357 759 I CB -1.306 36.619 38.000 -0.124 0.000 1.051 759 I HN 0.226 nan 8.210 nan 0.000 0.409 760 K N 0.236 120.577 120.400 -0.097 0.000 2.057 760 K HA -0.235 4.083 4.320 -0.004 0.000 0.207 760 K C 2.095 178.680 176.600 -0.025 0.000 1.049 760 K CA 1.361 57.644 56.287 -0.006 0.000 0.931 760 K CB -0.196 32.354 32.500 0.083 0.000 0.714 760 K HN 0.340 nan 8.250 nan 0.000 0.440 761 Q N 0.721 120.473 119.800 -0.079 0.000 2.050 761 Q HA -0.227 4.111 4.340 -0.004 0.000 0.202 761 Q C 2.286 178.194 176.000 -0.154 0.000 0.980 761 Q CA 1.819 57.559 55.803 -0.105 0.000 0.840 761 Q CB -0.304 28.351 28.738 -0.138 0.000 0.898 761 Q HN 0.400 nan 8.270 nan 0.000 0.424 762 c N -0.039 118.362 118.600 -0.331 0.000 2.403 762 c HA -0.138 4.430 4.570 -0.004 0.000 0.277 762 c C 1.782 175.897 174.090 0.040 0.000 1.248 762 c CA 0.669 56.821 56.329 -0.294 0.000 1.762 762 c CB -1.150 41.019 42.510 -0.567 0.000 2.014 762 c HN 0.653 nan 8.230 nan 0.000 0.486 763 F N 1.305 121.220 119.950 -0.058 0.000 2.664 763 F HA 0.252 4.777 4.527 -0.004 0.000 0.303 763 F C 1.556 177.344 175.800 -0.019 0.000 1.092 763 F CA 0.224 58.210 58.000 -0.023 0.000 1.305 763 F CB -1.151 37.844 39.000 -0.009 0.000 1.054 763 F HN 0.176 nan 8.300 nan 0.000 0.565 764 S N 0.887 116.670 115.700 0.139 0.000 3.614 764 S HA -0.215 4.252 4.470 -0.004 0.000 0.360 764 S C 0.046 174.692 174.600 0.077 0.000 1.023 764 S CA 0.153 58.398 58.200 0.076 0.000 1.114 764 S CB -2.239 60.995 63.200 0.056 0.000 0.907 764 S HN 0.252 nan 8.310 nan 0.000 0.470 765 L N 1.855 123.137 121.223 0.097 0.000 2.289 765 L HA 0.514 4.851 4.340 -0.004 0.000 0.285 765 L C -1.110 175.803 176.870 0.072 0.000 1.049 765 L CA -1.891 53.001 54.840 0.087 0.000 0.804 765 L CB 0.487 42.614 42.059 0.113 0.000 1.195 765 L HN 0.066 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.061 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726