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 2i78_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.662 174.600 0.104 0.000 1.055 39 S CA 0.000 58.279 58.200 0.131 0.000 1.107 39 S CB 0.000 63.340 63.200 0.233 0.000 0.593 40 R N 1.809 122.366 120.500 0.095 0.000 2.293 40 R HA -0.186 4.154 4.340 -0.000 0.000 0.228 40 R C 0.745 177.097 176.300 0.087 0.000 1.105 40 R CA 2.354 58.504 56.100 0.083 0.000 0.860 40 R CB -0.706 29.644 30.300 0.083 0.000 0.923 40 R HN 0.697 nan 8.270 nan 0.000 0.414 41 K N -1.255 119.202 120.400 0.095 0.000 2.617 41 K HA 0.250 4.569 4.320 -0.000 0.000 0.293 41 K C -0.935 175.727 176.600 0.104 0.000 1.034 41 K CA -0.352 55.995 56.287 0.100 0.000 0.884 41 K CB 1.231 33.796 32.500 0.107 0.000 1.541 41 K HN 0.279 nan 8.250 nan 0.000 0.409 42 T N -2.212 112.408 114.554 0.111 0.000 2.897 42 T HA 0.350 4.700 4.350 -0.000 0.000 0.278 42 T C -0.431 174.369 174.700 0.166 0.000 0.981 42 T CA -0.566 61.606 62.100 0.121 0.000 0.973 42 T CB 0.592 69.529 68.868 0.115 0.000 1.092 42 T HN 0.457 nan 8.240 nan 0.000 0.543 43 Y N 2.288 122.613 120.300 0.042 0.000 2.452 43 Y HA 0.410 4.960 4.550 -0.000 0.000 0.348 43 Y C 0.720 176.743 175.900 0.206 0.000 0.985 43 Y CA -0.465 57.674 58.100 0.066 0.000 1.214 43 Y CB 0.064 38.501 38.460 -0.037 0.000 1.136 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.686 117.169 114.554 -0.118 0.000 2.912 44 T HA 0.164 4.514 4.350 -0.000 0.000 0.280 44 T C 0.916 175.485 174.700 -0.218 0.000 0.989 44 T CA -0.813 61.293 62.100 0.011 0.000 0.995 44 T CB 1.391 70.261 68.868 0.004 0.000 1.077 44 T HN 0.698 nan 8.240 nan 0.000 0.531 45 L N 1.415 122.354 121.223 -0.473 0.000 2.079 45 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 45 L C 2.573 179.304 176.870 -0.232 0.000 1.081 45 L CA 2.415 56.872 54.840 -0.639 0.000 0.752 45 L CB -1.463 40.081 42.059 -0.859 0.000 0.896 45 L HN 1.001 nan 8.230 nan 0.000 0.433 46 T N -2.087 112.364 114.554 -0.173 0.000 2.788 46 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 46 T C 1.571 176.208 174.700 -0.105 0.000 1.044 46 T CA 1.215 63.252 62.100 -0.106 0.000 1.139 46 T CB -0.540 68.286 68.868 -0.069 0.000 0.867 46 T HN 0.343 nan 8.240 nan 0.000 0.454 47 D N 0.450 120.758 120.400 -0.154 0.000 2.123 47 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 47 D C 1.762 178.015 176.300 -0.078 0.000 0.992 47 D CA 1.154 55.058 54.000 -0.160 0.000 0.833 47 D CB -0.394 40.219 40.800 -0.311 0.000 0.954 47 D HN 0.494 nan 8.370 nan 0.000 0.455 48 Y N 1.354 121.511 120.300 -0.238 0.000 2.220 48 Y HA -0.049 4.501 4.550 -0.000 0.000 0.291 48 Y C 2.166 178.089 175.900 0.038 0.000 1.129 48 Y CA 1.076 59.195 58.100 0.032 0.000 1.161 48 Y CB -0.465 38.063 38.460 0.114 0.000 0.997 48 Y HN -0.118 nan 8.280 nan 0.000 0.522 49 L N 0.157 121.244 121.223 -0.225 0.000 2.056 49 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 49 L C 2.074 178.851 176.870 -0.155 0.000 1.078 49 L CA 1.406 56.087 54.840 -0.264 0.000 0.749 49 L CB -0.439 41.542 42.059 -0.130 0.000 0.901 49 L HN 0.113 nan 8.230 nan 0.000 0.433 50 K N -0.152 120.188 120.400 -0.100 0.000 2.404 50 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 50 K C 0.103 176.669 176.600 -0.056 0.000 1.023 50 K CA -0.024 56.222 56.287 -0.069 0.000 1.094 50 K CB -0.268 32.198 32.500 -0.058 0.000 0.841 50 K HN 0.340 nan 8.250 nan 0.000 0.523 51 N N 2.015 120.692 118.700 -0.038 0.000 2.681 51 N HA -0.180 4.560 4.740 -0.000 0.000 0.259 51 N C 0.368 175.887 175.510 0.016 0.000 1.066 51 N CA 0.443 53.509 53.050 0.027 0.000 0.717 51 N CB -0.371 38.115 38.487 -0.001 0.000 0.885 51 N HN 0.342 nan 8.380 nan 0.000 0.547 52 T N -2.153 112.394 114.554 -0.012 0.000 3.081 52 T HA 0.030 4.380 4.350 -0.000 0.000 0.255 52 T C 0.352 174.844 174.700 -0.346 0.000 1.113 52 T CA 0.727 62.706 62.100 -0.201 0.000 1.082 52 T CB -0.046 68.627 68.868 -0.326 0.000 0.939 52 T HN 0.372 nan 8.240 nan 0.000 0.506 53 Y N 1.454 121.850 120.300 0.161 0.000 2.842 53 Y HA 0.595 5.145 4.550 -0.000 0.000 0.334 53 Y C 0.371 176.373 175.900 0.171 0.000 1.019 53 Y CA -1.509 56.706 58.100 0.191 0.000 1.258 53 Y CB 0.565 39.206 38.460 0.301 0.000 1.106 53 Y HN -0.051 nan 8.280 nan 0.000 0.545 54 R N 2.110 122.728 120.500 0.197 0.000 2.389 54 R HA 0.392 4.732 4.340 -0.000 0.000 0.295 54 R C -0.897 175.497 176.300 0.156 0.000 1.075 54 R CA -0.144 56.044 56.100 0.146 0.000 1.005 54 R CB 0.429 30.776 30.300 0.078 0.000 0.987 54 R HN 0.642 nan 8.270 nan 0.000 0.452 55 L N 5.293 126.608 121.223 0.154 0.000 2.261 55 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 55 L C 0.150 177.086 176.870 0.111 0.000 1.059 55 L CA -0.230 54.698 54.840 0.147 0.000 0.816 55 L CB 0.886 43.051 42.059 0.177 0.000 1.191 55 L HN 0.469 nan 8.230 nan 0.000 0.431 56 K N 5.239 125.695 120.400 0.094 0.000 2.350 56 K HA 0.377 4.697 4.320 -0.000 0.000 0.279 56 K C -0.399 176.225 176.600 0.039 0.000 1.027 56 K CA -0.212 56.111 56.287 0.058 0.000 0.969 56 K CB 1.091 33.624 32.500 0.055 0.000 0.954 56 K HN 0.460 nan 8.250 nan 0.000 0.474 57 L N 1.518 122.712 121.223 -0.048 0.000 2.421 57 L HA 0.448 4.788 4.340 -0.000 0.000 0.267 57 L C -0.446 176.155 176.870 -0.447 0.000 1.036 57 L CA -1.094 53.598 54.840 -0.246 0.000 0.829 57 L CB 0.321 42.335 42.059 -0.076 0.000 1.437 57 L HN 0.486 nan 8.230 nan 0.000 0.488 58 Y N 0.146 119.861 120.300 -0.975 0.000 2.563 58 Y HA 0.327 4.877 4.550 -0.000 0.000 0.351 58 Y C -0.656 175.094 175.900 -0.249 0.000 1.087 58 Y CA -0.488 57.303 58.100 -0.515 0.000 1.272 58 Y CB 1.169 39.182 38.460 -0.744 0.000 1.095 58 Y HN 0.430 nan 8.280 nan 0.000 0.620 59 S N 5.776 121.423 115.700 -0.089 0.000 2.416 59 S HA 0.500 4.970 4.470 -0.000 0.000 0.287 59 S C -0.628 173.947 174.600 -0.042 0.000 1.139 59 S CA -0.483 57.697 58.200 -0.034 0.000 1.058 59 S CB -0.198 62.980 63.200 -0.035 0.000 0.967 59 S HN 0.572 nan 8.310 nan 0.000 0.495 60 L N 1.474 122.657 121.223 -0.067 0.000 2.333 60 L HA 0.813 5.153 4.340 -0.000 0.000 0.269 60 L C -0.285 176.512 176.870 -0.122 0.000 1.010 60 L CA -0.837 53.916 54.840 -0.145 0.000 0.818 60 L CB 1.000 42.715 42.059 -0.574 0.000 1.306 60 L HN 0.238 nan 8.230 nan 0.000 0.430 61 R N 1.579 122.039 120.500 -0.068 0.000 2.388 61 R HA 0.342 4.682 4.340 -0.000 0.000 0.314 61 R C -1.722 174.594 176.300 0.026 0.000 0.959 61 R CA -0.559 55.552 56.100 0.019 0.000 0.851 61 R CB 0.846 31.187 30.300 0.069 0.000 1.168 61 R HN 0.860 nan 8.270 nan 0.000 0.472 62 W N 4.898 126.299 121.300 0.169 0.000 2.181 62 W HA 0.121 4.781 4.660 -0.000 0.000 0.335 62 W C 1.743 178.338 176.519 0.127 0.000 1.310 62 W CA -0.333 57.117 57.345 0.175 0.000 1.226 62 W CB 0.524 30.085 29.460 0.168 0.000 1.155 62 W HN 0.581 nan 8.180 nan 0.000 0.565 63 I N -0.031 120.752 120.570 0.355 0.000 4.227 63 I HA 0.351 4.520 4.170 -0.000 0.000 0.334 63 I C 0.428 176.669 176.117 0.205 0.000 1.341 63 I CA -0.180 61.240 61.300 0.199 0.000 1.123 63 I CB -0.119 37.918 38.000 0.062 0.000 1.097 63 I HN 0.262 nan 8.210 nan 0.000 0.399 64 S N -0.755 115.119 115.700 0.289 0.000 2.683 64 S HA 0.226 4.696 4.470 -0.000 0.000 0.269 64 S C -0.171 174.566 174.600 0.229 0.000 1.165 64 S CA -0.328 58.019 58.200 0.246 0.000 0.840 64 S CB 1.321 64.681 63.200 0.266 0.000 1.169 64 S HN 0.026 nan 8.310 nan 0.000 0.490 65 D N -0.465 120.018 120.400 0.138 0.000 2.350 65 D HA 0.079 4.718 4.640 -0.000 0.000 0.216 65 D C 1.090 177.307 176.300 -0.138 0.000 0.968 65 D CA 1.537 55.483 54.000 -0.091 0.000 0.894 65 D CB -0.109 40.548 40.800 -0.237 0.000 0.909 65 D HN 0.632 nan 8.370 nan 0.000 0.520 66 H N -1.576 117.653 119.070 0.265 0.000 3.017 66 H HA 0.440 4.996 4.556 -0.000 0.000 0.255 66 H C 0.043 175.505 175.328 0.224 0.000 0.990 66 H CA -0.071 56.117 56.048 0.234 0.000 1.205 66 H CB 0.855 30.727 29.762 0.183 0.000 1.460 66 H HN -0.028 nan 8.280 nan 0.000 0.478 67 E N 0.220 120.680 120.200 0.434 0.000 2.343 67 E HA 0.360 4.710 4.350 -0.000 0.000 0.270 67 E C -1.551 175.227 176.600 0.297 0.000 0.895 67 E CA -1.179 55.379 56.400 0.263 0.000 0.767 67 E CB 2.721 32.498 29.700 0.128 0.000 1.248 67 E HN 0.209 nan 8.360 nan 0.000 0.440 68 Y N -0.275 119.991 120.300 -0.056 0.000 2.524 68 Y HA 0.619 5.169 4.550 -0.000 0.000 0.347 68 Y C -1.513 174.312 175.900 -0.125 0.000 1.005 68 Y CA -1.355 56.592 58.100 -0.256 0.000 1.025 68 Y CB 0.771 38.720 38.460 -0.851 0.000 1.275 68 Y HN 0.296 nan 8.280 nan 0.000 0.460 69 L N 3.920 125.167 121.223 0.039 0.000 2.312 69 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 69 L C -1.084 175.902 176.870 0.193 0.000 1.070 69 L CA -0.832 54.006 54.840 -0.004 0.000 0.805 69 L CB 0.885 42.853 42.059 -0.152 0.000 1.174 69 L HN 0.733 nan 8.230 nan 0.000 0.434 70 Y N 3.288 123.615 120.300 0.045 0.000 2.376 70 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 70 Y C -0.741 175.117 175.900 -0.070 0.000 0.965 70 Y CA -1.301 56.777 58.100 -0.037 0.000 1.078 70 Y CB 1.517 39.961 38.460 -0.027 0.000 1.193 70 Y HN 0.406 nan 8.280 nan 0.000 0.452 71 K N 7.289 127.242 120.400 -0.745 0.000 2.404 71 K HA 0.248 4.568 4.320 -0.000 0.000 0.257 71 K C -0.731 175.406 176.600 -0.771 0.000 1.026 71 K CA -0.736 55.216 56.287 -0.558 0.000 0.951 71 K CB 1.431 33.739 32.500 -0.320 0.000 1.203 71 K HN 0.728 nan 8.250 nan 0.000 0.446 72 Q N 1.642 121.101 119.800 -0.568 0.000 2.317 72 Q HA 0.121 4.461 4.340 -0.000 0.000 0.229 72 Q C 0.780 176.665 176.000 -0.192 0.000 0.984 72 Q CA -0.567 55.023 55.803 -0.353 0.000 0.911 72 Q CB 1.243 29.891 28.738 -0.150 0.000 1.217 72 Q HN 0.575 nan 8.270 nan 0.000 0.501 73 E N 1.349 121.476 120.200 -0.122 0.000 2.136 73 E HA -0.352 3.998 4.350 -0.000 0.000 0.208 73 E C 0.809 177.383 176.600 -0.043 0.000 1.035 73 E CA 2.076 58.436 56.400 -0.068 0.000 0.838 73 E CB 0.107 29.783 29.700 -0.041 0.000 0.748 73 E HN 0.658 nan 8.360 nan 0.000 0.459 74 N N 0.687 119.362 118.700 -0.040 0.000 2.158 74 N HA -0.050 4.690 4.740 -0.000 0.000 0.190 74 N C 0.442 175.935 175.510 -0.029 0.000 1.060 74 N CA 1.215 54.253 53.050 -0.021 0.000 0.872 74 N CB -0.239 38.239 38.487 -0.015 0.000 1.055 74 N HN 0.249 nan 8.380 nan 0.000 0.452 75 N N -0.095 118.575 118.700 -0.050 0.000 2.381 75 N HA 0.417 5.157 4.740 -0.000 0.000 0.294 75 N C -0.936 174.518 175.510 -0.093 0.000 1.216 75 N CA -0.552 52.464 53.050 -0.057 0.000 0.803 75 N CB 1.305 39.773 38.487 -0.032 0.000 1.372 75 N HN 0.054 nan 8.380 nan 0.000 0.500 76 I N 0.903 121.411 120.570 -0.103 0.000 2.308 76 I HA 0.188 4.358 4.170 -0.000 0.000 0.293 76 I C -0.372 175.756 176.117 0.019 0.000 1.078 76 I CA -0.481 60.762 61.300 -0.096 0.000 1.292 76 I CB -0.089 37.819 38.000 -0.152 0.000 1.423 76 I HN 0.228 nan 8.210 nan 0.000 0.493 77 L N 6.793 128.040 121.223 0.041 0.000 2.334 77 L HA 0.504 4.844 4.340 -0.000 0.000 0.277 77 L C 0.021 176.928 176.870 0.062 0.000 1.075 77 L CA -0.765 54.114 54.840 0.066 0.000 0.804 77 L CB 1.597 43.730 42.059 0.124 0.000 1.174 77 L HN 0.344 nan 8.230 nan 0.000 0.438 78 V N 3.379 123.279 119.914 -0.024 0.000 2.427 78 V HA 0.470 4.590 4.120 -0.000 0.000 0.286 78 V C -0.736 175.202 176.094 -0.259 0.000 1.034 78 V CA -0.158 62.084 62.300 -0.097 0.000 0.893 78 V CB 1.246 33.061 31.823 -0.013 0.000 0.982 78 V HN 0.469 nan 8.190 nan 0.000 0.452 79 F N 5.540 125.203 119.950 -0.478 0.000 2.522 79 F HA 0.493 5.019 4.527 -0.000 0.000 0.324 79 F C 0.396 175.917 175.800 -0.464 0.000 1.077 79 F CA -0.540 57.117 58.000 -0.573 0.000 0.944 79 F CB 1.746 40.087 39.000 -1.099 0.000 1.175 79 F HN 0.544 nan 8.300 nan 0.000 0.468 80 N N 1.794 120.451 118.700 -0.072 0.000 2.438 80 N HA 0.334 5.074 4.740 -0.000 0.000 0.282 80 N C 0.178 175.686 175.510 -0.003 0.000 1.037 80 N CA 0.091 53.141 53.050 0.000 0.000 0.942 80 N CB 1.957 40.487 38.487 0.071 0.000 1.136 80 N HN 0.786 nan 8.380 nan 0.000 0.481 81 A N 3.663 126.428 122.820 -0.092 0.000 1.855 81 A HA -0.109 4.211 4.320 -0.000 0.000 0.213 81 A C 1.881 179.297 177.584 -0.280 0.000 1.195 81 A CA 1.317 53.180 52.037 -0.290 0.000 0.610 81 A CB -0.695 17.763 19.000 -0.904 0.000 0.837 81 A HN 0.835 nan 8.150 nan 0.000 0.444 82 E N -0.999 119.054 120.200 -0.245 0.000 2.070 82 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 82 E C 1.446 177.780 176.600 -0.443 0.000 1.004 82 E CA 2.208 58.448 56.400 -0.268 0.000 0.805 82 E CB -0.319 29.129 29.700 -0.421 0.000 0.744 82 E HN 0.757 nan 8.360 nan 0.000 0.451 83 Y N -2.690 117.641 120.300 0.052 0.000 2.535 83 Y HA 0.363 4.913 4.550 -0.000 0.000 0.266 83 Y C 1.610 177.531 175.900 0.034 0.000 1.088 83 Y CA 0.276 58.398 58.100 0.037 0.000 1.285 83 Y CB 0.835 39.311 38.460 0.028 0.000 1.166 83 Y HN 0.157 nan 8.280 nan 0.000 0.525 84 G N 1.177 110.077 108.800 0.167 0.000 2.141 84 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 84 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 84 G C -0.262 174.753 174.900 0.192 0.000 0.982 84 G CA 0.070 45.278 45.100 0.181 0.000 0.662 84 G HN 0.431 nan 8.290 nan 0.000 0.527 85 N N 0.485 119.231 118.700 0.077 0.000 2.513 85 N HA 0.590 5.329 4.740 -0.000 0.000 0.274 85 N C 0.106 175.440 175.510 -0.293 0.000 1.189 85 N CA 0.451 53.463 53.050 -0.063 0.000 0.975 85 N CB 1.586 40.047 38.487 -0.045 0.000 1.157 85 N HN 0.782 nan 8.380 nan 0.000 0.465 86 S N -0.299 115.113 115.700 -0.479 0.000 2.599 86 S HA 0.770 5.240 4.470 -0.000 0.000 0.294 86 S C -0.654 173.714 174.600 -0.387 0.000 1.094 86 S CA -0.774 56.973 58.200 -0.755 0.000 0.931 86 S CB 1.492 63.737 63.200 -1.592 0.000 1.093 86 S HN 0.633 nan 8.310 nan 0.000 0.488 87 S N 0.094 115.608 115.700 -0.310 0.000 2.667 87 S HA 0.629 5.099 4.470 -0.000 0.000 0.292 87 S C -0.864 173.674 174.600 -0.105 0.000 1.126 87 S CA -0.854 57.251 58.200 -0.159 0.000 0.881 87 S CB 1.475 64.618 63.200 -0.095 0.000 1.132 87 S HN 0.735 nan 8.310 nan 0.000 0.492 88 V N 2.517 122.395 119.914 -0.060 0.000 2.408 88 V HA 0.218 4.338 4.120 -0.000 0.000 0.267 88 V C 0.535 176.643 176.094 0.024 0.000 1.047 88 V CA -0.063 62.225 62.300 -0.020 0.000 0.937 88 V CB -0.143 31.656 31.823 -0.039 0.000 0.999 88 V HN 0.932 nan 8.190 nan 0.000 0.472 89 F N 5.923 125.826 119.950 -0.079 0.000 2.206 89 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 89 F C 0.702 176.479 175.800 -0.038 0.000 1.090 89 F CA 0.962 58.927 58.000 -0.059 0.000 1.323 89 F CB 0.484 39.452 39.000 -0.053 0.000 1.028 89 F HN 0.404 nan 8.300 nan 0.000 0.492 90 L N -1.258 119.975 121.223 0.017 0.000 2.653 90 L HA 0.457 4.797 4.340 -0.000 0.000 0.257 90 L C -0.966 175.880 176.870 -0.041 0.000 0.969 90 L CA -1.031 53.774 54.840 -0.058 0.000 0.869 90 L CB 0.858 42.893 42.059 -0.040 0.000 1.439 90 L HN -0.240 nan 8.230 nan 0.000 0.414 91 E N 1.539 121.691 120.200 -0.080 0.000 2.422 91 E HA 0.124 4.474 4.350 -0.000 0.000 0.260 91 E C 1.283 177.864 176.600 -0.033 0.000 1.108 91 E CA 0.463 56.823 56.400 -0.066 0.000 0.943 91 E CB 0.742 30.388 29.700 -0.090 0.000 0.961 91 E HN 0.731 nan 8.360 nan 0.000 0.443 92 N N 0.568 119.263 118.700 -0.009 0.000 2.223 92 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 92 N C 0.961 176.496 175.510 0.043 0.000 1.016 92 N CA 1.499 54.571 53.050 0.036 0.000 0.863 92 N CB -0.236 38.263 38.487 0.021 0.000 0.983 92 N HN 0.316 nan 8.380 nan 0.000 0.429 93 S N -0.992 114.695 115.700 -0.021 0.000 2.575 93 S HA 0.084 4.553 4.470 -0.000 0.000 0.215 93 S C 1.434 175.958 174.600 -0.126 0.000 0.966 93 S CA 0.073 58.249 58.200 -0.040 0.000 0.911 93 S CB -0.313 62.862 63.200 -0.042 0.000 0.780 93 S HN 0.267 nan 8.310 nan 0.000 0.514 94 T N 1.496 115.889 114.554 -0.268 0.000 2.849 94 T HA 0.022 4.372 4.350 -0.000 0.000 0.270 94 T C 0.077 174.287 174.700 -0.818 0.000 1.066 94 T CA 0.996 62.721 62.100 -0.626 0.000 1.130 94 T CB -0.507 67.771 68.868 -0.984 0.000 0.864 94 T HN 0.576 nan 8.240 nan 0.000 0.481 95 F N 0.884 120.802 119.950 -0.054 0.000 2.831 95 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 95 F C 0.738 176.577 175.800 0.065 0.000 1.341 95 F CA -1.293 56.696 58.000 -0.017 0.000 1.201 95 F CB 0.222 39.158 39.000 -0.106 0.000 1.058 95 F HN -0.115 nan 8.300 nan 0.000 0.514 96 D N 0.883 121.351 120.400 0.114 0.000 2.110 96 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 96 D C 1.981 178.319 176.300 0.063 0.000 0.975 96 D CA 1.284 55.329 54.000 0.075 0.000 0.839 96 D CB 0.144 40.956 40.800 0.020 0.000 0.996 96 D HN 0.550 nan 8.370 nan 0.000 0.464 97 E N -0.325 119.910 120.200 0.058 0.000 2.463 97 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 97 E C 1.422 178.049 176.600 0.045 0.000 1.041 97 E CA -0.268 56.146 56.400 0.022 0.000 0.879 97 E CB -0.402 29.301 29.700 0.004 0.000 0.997 97 E HN 0.179 nan 8.360 nan 0.000 0.478 98 F N 2.184 122.120 119.950 -0.024 0.000 2.269 98 F HA 0.057 4.584 4.527 -0.000 0.000 0.301 98 F C 1.577 177.266 175.800 -0.185 0.000 1.082 98 F CA 1.904 59.883 58.000 -0.034 0.000 1.360 98 F CB 0.063 39.114 39.000 0.086 0.000 1.041 98 F HN 0.252 nan 8.300 nan 0.000 0.512 99 G N -0.904 107.704 108.800 -0.319 0.000 3.586 99 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.212 99 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.212 99 G C 0.157 174.778 174.900 -0.466 0.000 1.411 99 G CA 0.065 44.870 45.100 -0.492 0.000 0.898 99 G HN 0.526 nan 8.290 nan 0.000 0.575 100 H N 1.611 120.350 119.070 -0.550 0.000 2.886 100 H HA 0.454 5.010 4.556 -0.000 0.000 0.329 100 H C 0.584 175.857 175.328 -0.092 0.000 1.044 100 H CA 0.726 56.559 56.048 -0.357 0.000 1.456 100 H CB 1.153 30.497 29.762 -0.697 0.000 1.464 100 H HN 0.306 nan 8.280 nan 0.000 0.573 101 S N 3.914 119.668 115.700 0.090 0.000 2.466 101 S HA 0.084 4.554 4.470 -0.000 0.000 0.286 101 S C 0.530 175.175 174.600 0.074 0.000 1.221 101 S CA -0.747 57.498 58.200 0.074 0.000 1.091 101 S CB -0.817 62.413 63.200 0.051 0.000 0.956 101 S HN 0.359 nan 8.310 nan 0.000 0.501 102 I N 5.809 126.387 120.570 0.013 0.000 2.588 102 I HA 0.103 4.273 4.170 -0.000 0.000 0.283 102 I C 1.785 177.810 176.117 -0.153 0.000 1.119 102 I CA -0.023 61.202 61.300 -0.125 0.000 1.419 102 I CB 0.521 38.296 38.000 -0.376 0.000 1.394 102 I HN 0.699 nan 8.210 nan 0.000 0.562 103 N N 3.539 122.134 118.700 -0.174 0.000 2.436 103 N HA 0.006 4.746 4.740 -0.000 0.000 0.178 103 N C -0.048 175.332 175.510 -0.217 0.000 1.026 103 N CA 0.642 53.580 53.050 -0.186 0.000 0.880 103 N CB 0.691 39.072 38.487 -0.178 0.000 1.061 103 N HN 0.701 nan 8.380 nan 0.000 0.434 104 D N -1.391 118.847 120.400 -0.270 0.000 2.623 104 D HA 0.194 4.834 4.640 -0.000 0.000 0.241 104 D C -1.731 174.426 176.300 -0.238 0.000 1.241 104 D CA -0.309 53.593 54.000 -0.163 0.000 0.788 104 D CB 1.386 42.175 40.800 -0.018 0.000 1.413 104 D HN -0.072 nan 8.370 nan 0.000 0.429 105 Y N 0.150 120.487 120.300 0.061 0.000 2.468 105 Y HA 0.503 5.053 4.550 -0.000 0.000 0.342 105 Y C 0.262 176.258 175.900 0.161 0.000 1.021 105 Y CA -0.716 57.442 58.100 0.097 0.000 1.079 105 Y CB 2.265 40.776 38.460 0.084 0.000 1.226 105 Y HN 0.115 nan 8.280 nan 0.000 0.460 106 S N 2.779 118.710 115.700 0.385 0.000 2.677 106 S HA 0.641 5.111 4.470 -0.000 0.000 0.283 106 S C -1.558 173.386 174.600 0.572 0.000 1.159 106 S CA -0.404 58.047 58.200 0.419 0.000 1.001 106 S CB 0.284 63.698 63.200 0.357 0.000 1.032 106 S HN 0.492 nan 8.310 nan 0.000 0.487 107 I N 4.390 125.193 120.570 0.388 0.000 2.359 107 I HA 0.355 4.525 4.170 -0.000 0.000 0.294 107 I C 0.707 176.700 176.117 -0.207 0.000 0.987 107 I CA 0.072 61.489 61.300 0.195 0.000 1.225 107 I CB 1.922 39.994 38.000 0.121 0.000 1.366 107 I HN 0.765 nan 8.210 nan 0.000 0.466 108 S N 6.377 121.573 115.700 -0.839 0.000 2.563 108 S HA 0.143 4.613 4.470 -0.000 0.000 0.284 108 S C -2.143 172.156 174.600 -0.501 0.000 1.331 108 S CA -0.868 56.493 58.200 -1.397 0.000 1.047 108 S CB -0.159 62.214 63.200 -1.378 0.000 0.859 108 S HN 0.440 nan 8.310 nan 0.000 0.514 109 P HA 0.234 nan 4.420 nan 0.000 0.286 109 P C -0.456 176.773 177.300 -0.120 0.000 1.577 109 P CA 0.481 63.498 63.100 -0.139 0.000 0.805 109 P CB -0.145 31.506 31.700 -0.082 0.000 1.706 110 D N -1.805 118.510 120.400 -0.142 0.000 2.399 110 D HA 0.138 4.778 4.640 -0.000 0.000 0.269 110 D C 1.719 177.981 176.300 -0.063 0.000 1.105 110 D CA 0.882 54.829 54.000 -0.088 0.000 0.844 110 D CB 0.057 40.819 40.800 -0.063 0.000 1.372 110 D HN 0.088 nan 8.370 nan 0.000 0.517 111 G N 1.475 110.243 108.800 -0.054 0.000 2.189 111 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.267 111 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.267 111 G C 1.111 175.976 174.900 -0.058 0.000 0.975 111 G CA 0.956 46.080 45.100 0.041 0.000 0.644 111 G HN 0.383 nan 8.290 nan 0.000 0.537 112 Q N -1.428 118.250 119.800 -0.203 0.000 2.137 112 Q HA 0.251 4.591 4.340 -0.000 0.000 0.198 112 Q C 0.286 175.828 176.000 -0.763 0.000 0.960 112 Q CA 0.894 56.379 55.803 -0.530 0.000 0.847 112 Q CB 0.206 28.555 28.738 -0.647 0.000 0.915 112 Q HN 0.593 nan 8.270 nan 0.000 0.448 113 F N -0.546 119.368 119.950 -0.059 0.000 2.576 113 F HA 0.490 5.017 4.527 -0.000 0.000 0.313 113 F C -0.443 175.467 175.800 0.182 0.000 1.078 113 F CA -1.024 57.011 58.000 0.057 0.000 0.921 113 F CB 1.471 40.548 39.000 0.130 0.000 1.232 113 F HN -0.226 nan 8.300 nan 0.000 0.459 114 I N 3.165 124.066 120.570 0.552 0.000 2.433 114 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 114 I C -1.250 175.198 176.117 0.552 0.000 1.001 114 I CA -0.964 60.665 61.300 0.548 0.000 1.119 114 I CB 1.971 40.278 38.000 0.512 0.000 1.289 114 I HN 0.327 nan 8.210 nan 0.000 0.438 115 L N 7.708 129.258 121.223 0.544 0.000 2.255 115 L HA 0.457 4.797 4.340 -0.000 0.000 0.289 115 L C -0.682 176.315 176.870 0.212 0.000 1.046 115 L CA -0.048 54.985 54.840 0.322 0.000 0.816 115 L CB 0.563 42.721 42.059 0.164 0.000 1.197 115 L HN 0.415 nan 8.230 nan 0.000 0.427 116 L N 4.875 126.161 121.223 0.105 0.000 2.276 116 L HA 0.485 4.825 4.340 -0.000 0.000 0.286 116 L C 0.107 176.996 176.870 0.031 0.000 1.061 116 L CA -0.311 54.482 54.840 -0.079 0.000 0.807 116 L CB 1.203 43.059 42.059 -0.339 0.000 1.177 116 L HN 0.607 nan 8.230 nan 0.000 0.429 117 E N 3.972 124.117 120.200 -0.092 0.000 2.158 117 E HA 0.459 4.809 4.350 -0.000 0.000 0.271 117 E C -1.613 174.911 176.600 -0.127 0.000 0.911 117 E CA -0.538 55.696 56.400 -0.276 0.000 0.767 117 E CB 1.276 30.889 29.700 -0.145 0.000 1.120 117 E HN 0.472 nan 8.360 nan 0.000 0.405 118 Y N 1.626 121.716 120.300 -0.349 0.000 2.829 118 Y HA 0.450 5.000 4.550 -0.000 0.000 0.322 118 Y C -0.024 175.767 175.900 -0.181 0.000 1.357 118 Y CA -1.560 56.421 58.100 -0.197 0.000 1.081 118 Y CB 0.286 38.673 38.460 -0.121 0.000 1.339 118 Y HN 0.493 nan 8.280 nan 0.000 0.469 119 N N -0.413 118.239 118.700 -0.080 0.000 2.721 119 N HA -0.308 4.432 4.740 -0.000 0.000 0.249 119 N C -0.936 174.514 175.510 -0.099 0.000 1.072 119 N CA 1.075 54.044 53.050 -0.134 0.000 0.710 119 N CB -1.502 36.797 38.487 -0.313 0.000 0.993 119 N HN 0.831 nan 8.380 nan 0.000 0.547 120 Y N 0.250 120.464 120.300 -0.143 0.000 2.729 120 Y HA 0.209 4.759 4.550 -0.000 0.000 0.331 120 Y C 0.051 175.914 175.900 -0.061 0.000 1.208 120 Y CA 0.132 58.166 58.100 -0.110 0.000 1.521 120 Y CB 0.582 38.940 38.460 -0.171 0.000 1.233 120 Y HN -0.015 nan 8.280 nan 0.000 0.539 121 V N 8.289 127.902 119.914 -0.501 0.000 2.409 121 V HA 0.191 4.311 4.120 -0.000 0.000 0.290 121 V C -0.216 175.557 176.094 -0.536 0.000 1.017 121 V CA -1.399 60.664 62.300 -0.394 0.000 0.841 121 V CB 1.296 33.001 31.823 -0.196 0.000 1.003 121 V HN 0.700 nan 8.190 nan 0.000 0.426 122 K N 3.688 123.790 120.400 -0.496 0.000 2.401 122 K HA 0.193 4.513 4.320 -0.000 0.000 0.278 122 K C 0.420 176.870 176.600 -0.251 0.000 1.018 122 K CA 0.222 56.321 56.287 -0.314 0.000 0.981 122 K CB 1.084 33.567 32.500 -0.029 0.000 0.933 122 K HN 0.809 nan 8.250 nan 0.000 0.477 123 Q N 3.018 122.643 119.800 -0.291 0.000 2.679 123 Q HA 0.149 4.489 4.340 -0.000 0.000 0.255 123 Q C 0.104 175.864 176.000 -0.400 0.000 1.053 123 Q CA -0.208 55.238 55.803 -0.596 0.000 0.620 123 Q CB 0.059 28.281 28.738 -0.861 0.000 3.775 123 Q HN 0.705 nan 8.270 nan 0.000 0.446 124 W N 0.063 121.350 121.300 -0.021 0.000 1.756 124 W HA 0.342 5.002 4.660 -0.000 0.000 0.638 124 W C 1.914 178.404 176.519 -0.048 0.000 1.472 124 W CA -0.718 56.634 57.345 0.011 0.000 1.437 124 W CB -0.215 29.210 29.460 -0.057 0.000 3.368 124 W HN 0.279 nan 8.180 nan 0.000 0.771 125 R N -0.638 119.923 120.500 0.102 0.000 2.075 125 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 125 R C 1.846 177.988 176.300 -0.264 0.000 1.126 125 R CA 1.809 57.796 56.100 -0.189 0.000 0.963 125 R CB -0.408 29.592 30.300 -0.501 0.000 0.858 125 R HN 0.492 nan 8.270 nan 0.000 0.435 126 H N -1.082 118.068 119.070 0.133 0.000 2.695 126 H HA 0.165 4.721 4.556 -0.000 0.000 0.267 126 H C 0.750 176.195 175.328 0.195 0.000 0.973 126 H CA 0.480 56.632 56.048 0.174 0.000 1.223 126 H CB 0.014 29.852 29.762 0.126 0.000 1.442 126 H HN 0.144 nan 8.280 nan 0.000 0.478 127 S N 1.390 117.103 115.700 0.023 0.000 2.584 127 S HA 0.320 4.790 4.470 -0.000 0.000 0.270 127 S C -0.230 174.265 174.600 -0.176 0.000 1.346 127 S CA -0.386 57.516 58.200 -0.497 0.000 1.018 127 S CB 0.449 62.862 63.200 -1.311 0.000 0.899 127 S HN 0.509 nan 8.310 nan 0.000 0.542 128 Y N -2.670 117.446 120.300 -0.307 0.000 2.765 128 Y HA 0.563 5.113 4.550 -0.000 0.000 0.350 128 Y C -0.873 174.983 175.900 -0.074 0.000 1.196 128 Y CA -0.884 57.056 58.100 -0.268 0.000 1.119 128 Y CB 0.320 38.557 38.460 -0.372 0.000 1.368 128 Y HN 0.908 nan 8.280 nan 0.000 0.463 129 T N 0.210 114.762 114.554 -0.004 0.000 2.940 129 T HA 1.013 5.363 4.350 -0.000 0.000 0.288 129 T C -0.448 174.285 174.700 0.054 0.000 1.033 129 T CA -0.132 61.986 62.100 0.029 0.000 1.033 129 T CB 1.737 70.599 68.868 -0.010 0.000 1.079 129 T HN 1.888 nan 8.240 nan 0.000 0.496 130 A N 1.138 123.964 122.820 0.010 0.000 2.601 130 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 130 A C -0.441 176.870 177.584 -0.456 0.000 1.075 130 A CA -1.000 50.898 52.037 -0.231 0.000 0.671 130 A CB 1.179 20.034 19.000 -0.241 0.000 1.277 130 A HN 0.871 nan 8.150 nan 0.000 0.417 131 S N -0.417 114.797 115.700 -0.810 0.000 2.654 131 S HA 0.765 5.235 4.470 -0.000 0.000 0.283 131 S C -1.399 172.546 174.600 -1.091 0.000 1.180 131 S CA -0.046 57.609 58.200 -0.908 0.000 1.021 131 S CB 0.538 62.961 63.200 -1.295 0.000 1.018 131 S HN 0.460 nan 8.310 nan 0.000 0.532 132 Y N 0.150 120.238 120.300 -0.353 0.000 2.386 132 Y HA 0.378 4.928 4.550 -0.000 0.000 0.334 132 Y C -0.525 175.379 175.900 0.007 0.000 1.002 132 Y CA -0.941 57.079 58.100 -0.133 0.000 1.068 132 Y CB 1.570 39.890 38.460 -0.233 0.000 1.203 132 Y HN 0.498 nan 8.280 nan 0.000 0.443 133 D N 3.505 124.069 120.400 0.273 0.000 2.248 133 D HA 0.518 5.158 4.640 -0.000 0.000 0.246 133 D C -0.613 175.762 176.300 0.126 0.000 1.027 133 D CA -0.334 53.769 54.000 0.172 0.000 0.853 133 D CB 2.410 43.318 40.800 0.180 0.000 1.243 133 D HN 0.401 nan 8.370 nan 0.000 0.462 134 I N 2.025 122.667 120.570 0.120 0.000 2.336 134 I HA 0.182 4.352 4.170 -0.000 0.000 0.292 134 I C -0.622 175.679 176.117 0.306 0.000 0.991 134 I CA -0.884 60.530 61.300 0.191 0.000 1.227 134 I CB 0.825 38.876 38.000 0.085 0.000 1.366 134 I HN 0.189 nan 8.210 nan 0.000 0.466 135 Y N 5.542 125.983 120.300 0.236 0.000 2.330 135 Y HA 0.338 4.888 4.550 -0.000 0.000 0.336 135 Y C -0.192 175.900 175.900 0.321 0.000 1.036 135 Y CA -0.857 57.382 58.100 0.232 0.000 1.125 135 Y CB 1.048 39.638 38.460 0.216 0.000 1.194 135 Y HN 0.492 nan 8.280 nan 0.000 0.469 136 D N 5.752 126.075 120.400 -0.129 0.000 2.249 136 D HA 0.191 4.831 4.640 -0.000 0.000 0.246 136 D C 0.000 176.011 176.300 -0.482 0.000 1.114 136 D CA 0.007 53.914 54.000 -0.154 0.000 0.854 136 D CB 1.034 41.809 40.800 -0.042 0.000 1.132 136 D HN 0.775 nan 8.370 nan 0.000 0.461 137 L N 3.487 124.467 121.223 -0.405 0.000 2.791 137 L HA 0.210 4.550 4.340 -0.000 0.000 0.239 137 L C 1.153 177.836 176.870 -0.312 0.000 1.203 137 L CA -0.129 54.504 54.840 -0.344 0.000 1.002 137 L CB -0.082 41.828 42.059 -0.248 0.000 1.295 137 L HN 0.228 nan 8.230 nan 0.000 0.504 138 N N 1.201 119.713 118.700 -0.314 0.000 2.227 138 N HA 0.046 4.785 4.740 -0.000 0.000 0.196 138 N C 0.751 176.155 175.510 -0.175 0.000 1.142 138 N CA 0.325 53.240 53.050 -0.226 0.000 0.887 138 N CB 0.724 39.083 38.487 -0.215 0.000 1.022 138 N HN 0.458 nan 8.380 nan 0.000 0.500 139 K N -0.059 120.220 120.400 -0.202 0.000 2.817 139 K HA 0.305 4.625 4.320 -0.000 0.000 0.183 139 K C -0.263 176.223 176.600 -0.189 0.000 1.145 139 K CA -0.476 55.718 56.287 -0.154 0.000 1.114 139 K CB 0.643 33.084 32.500 -0.099 0.000 0.767 139 K HN -0.307 nan 8.250 nan 0.000 0.453 140 R N 0.880 121.206 120.500 -0.289 0.000 3.591 140 R HA -0.208 4.132 4.340 -0.000 0.000 0.268 140 R C -0.760 175.377 176.300 -0.272 0.000 1.102 140 R CA 1.047 56.965 56.100 -0.304 0.000 0.732 140 R CB -1.810 28.440 30.300 -0.084 0.000 1.117 140 R HN 0.608 nan 8.270 nan 0.000 0.472 141 Q N 0.167 119.723 119.800 -0.408 0.000 2.333 141 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 141 Q C -0.436 175.586 176.000 0.038 0.000 1.007 141 Q CA -0.529 55.222 55.803 -0.086 0.000 0.810 141 Q CB 1.338 30.048 28.738 -0.047 0.000 1.264 141 Q HN 0.243 nan 8.270 nan 0.000 0.452 142 L N 4.660 126.077 121.223 0.324 0.000 2.477 142 L HA 0.176 4.515 4.340 -0.000 0.000 0.272 142 L C 0.089 177.072 176.870 0.189 0.000 1.157 142 L CA 0.048 55.098 54.840 0.350 0.000 0.889 142 L CB -0.026 42.219 42.059 0.310 0.000 1.158 142 L HN 0.566 nan 8.230 nan 0.000 0.473 143 I N 3.507 124.174 120.570 0.163 0.000 2.581 143 I HA -0.070 4.099 4.170 -0.000 0.000 0.285 143 I C 1.560 177.723 176.117 0.075 0.000 1.129 143 I CA 0.194 61.551 61.300 0.095 0.000 1.397 143 I CB 1.010 39.051 38.000 0.069 0.000 1.399 143 I HN 0.781 nan 8.210 nan 0.000 0.537 144 T N 1.776 116.365 114.554 0.058 0.000 3.044 144 T HA 0.034 4.384 4.350 -0.000 0.000 0.255 144 T C 0.637 175.347 174.700 0.015 0.000 1.073 144 T CA -0.073 62.056 62.100 0.049 0.000 1.125 144 T CB 0.076 68.973 68.868 0.048 0.000 0.908 144 T HN 0.621 nan 8.240 nan 0.000 0.480 145 E N 1.455 121.655 120.200 0.000 0.000 2.212 145 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 145 E C -0.539 176.033 176.600 -0.047 0.000 0.956 145 E CA -0.541 55.845 56.400 -0.023 0.000 0.825 145 E CB 0.975 30.665 29.700 -0.018 0.000 1.167 145 E HN 0.173 nan 8.360 nan 0.000 0.400 146 E N 0.000 120.160 120.200 -0.068 0.000 2.586 146 E HA -0.238 4.111 4.350 -0.000 0.000 0.259 146 E C -0.082 176.439 176.600 -0.131 0.000 1.107 146 E CA 1.022 57.365 56.400 -0.095 0.000 0.754 146 E CB -1.663 27.991 29.700 -0.076 0.000 1.335 146 E HN 0.757 nan 8.360 nan 0.000 0.411 147 R N -0.148 120.270 120.500 -0.137 0.000 2.615 147 R HA 0.489 4.829 4.340 -0.000 0.000 0.270 147 R C 0.745 176.868 176.300 -0.295 0.000 1.081 147 R CA -0.601 55.399 56.100 -0.166 0.000 1.154 147 R CB 0.528 30.773 30.300 -0.092 0.000 1.063 147 R HN -0.006 nan 8.270 nan 0.000 0.519 148 I N 3.364 123.712 120.570 -0.370 0.000 2.741 148 I HA 0.014 4.184 4.170 -0.000 0.000 0.288 148 I C -1.507 174.295 176.117 -0.525 0.000 1.192 148 I CA -1.380 59.542 61.300 -0.630 0.000 1.426 148 I CB 0.275 37.894 38.000 -0.636 0.000 1.367 148 I HN 0.567 nan 8.210 nan 0.000 0.563 149 P HA 0.094 nan 4.420 nan 0.000 0.272 149 P C -0.834 176.215 177.300 -0.417 0.000 1.230 149 P CA -0.420 62.278 63.100 -0.671 0.000 0.788 149 P CB 0.463 31.368 31.700 -1.325 0.000 0.949 150 N N 1.623 120.170 118.700 -0.256 0.000 2.371 150 N HA -0.012 4.728 4.740 -0.000 0.000 0.243 150 N C 0.656 176.216 175.510 0.083 0.000 1.287 150 N CA 0.270 53.249 53.050 -0.118 0.000 0.911 150 N CB -0.589 37.841 38.487 -0.096 0.000 1.142 150 N HN 0.424 nan 8.380 nan 0.000 0.451 151 N N -1.574 117.161 118.700 0.058 0.000 2.735 151 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 151 N C -0.815 174.863 175.510 0.280 0.000 1.083 151 N CA 0.698 53.827 53.050 0.133 0.000 0.703 151 N CB -1.845 36.724 38.487 0.137 0.000 1.005 151 N HN 0.471 nan 8.380 nan 0.000 0.550 152 T N 0.714 115.415 114.554 0.244 0.000 2.919 152 T HA 0.109 4.459 4.350 -0.000 0.000 0.302 152 T C 1.701 176.538 174.700 0.230 0.000 1.031 152 T CA 0.176 62.445 62.100 0.281 0.000 1.127 152 T CB 1.251 70.211 68.868 0.153 0.000 0.952 152 T HN 0.217 nan 8.240 nan 0.000 0.540 153 Q N 1.154 121.080 119.800 0.210 0.000 2.396 153 Q HA 0.199 4.539 4.340 -0.000 0.000 0.220 153 Q C -0.051 176.085 176.000 0.226 0.000 0.900 153 Q CA 0.138 56.071 55.803 0.215 0.000 0.925 153 Q CB 1.079 29.906 28.738 0.149 0.000 1.065 153 Q HN 0.695 nan 8.270 nan 0.000 0.535 154 W N 0.800 122.035 121.300 -0.108 0.000 3.800 154 W HA 0.428 5.088 4.660 -0.000 0.000 0.299 154 W C -2.154 174.263 176.519 -0.170 0.000 1.231 154 W CA -0.657 56.587 57.345 -0.169 0.000 1.232 154 W CB 1.248 30.554 29.460 -0.256 0.000 1.291 154 W HN -0.313 nan 8.180 nan 0.000 0.514 155 V N 3.094 122.342 119.914 -1.110 0.000 2.769 155 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 155 V C -0.348 175.114 176.094 -1.053 0.000 1.061 155 V CA -0.789 60.948 62.300 -0.939 0.000 0.931 155 V CB 1.549 32.723 31.823 -1.082 0.000 1.010 155 V HN 0.495 nan 8.190 nan 0.000 0.433 156 T N 2.018 116.277 114.554 -0.491 0.000 3.193 156 T HA 0.435 4.785 4.350 -0.000 0.000 0.332 156 T C -1.247 173.491 174.700 0.063 0.000 1.208 156 T CA -0.414 61.588 62.100 -0.162 0.000 1.080 156 T CB 0.618 69.618 68.868 0.220 0.000 1.180 156 T HN 0.588 nan 8.240 nan 0.000 0.469 157 W N 3.481 124.841 121.300 0.099 0.000 2.160 157 W HA 0.360 5.020 4.660 -0.000 0.000 0.352 157 W C 1.429 177.839 176.519 -0.182 0.000 1.288 157 W CA -0.395 56.960 57.345 0.016 0.000 1.279 157 W CB 0.386 29.845 29.460 -0.001 0.000 1.181 157 W HN 0.807 nan 8.180 nan 0.000 0.593 158 S N 1.199 116.629 115.700 -0.450 0.000 2.596 158 S HA 0.155 4.625 4.470 -0.000 0.000 0.260 158 S C -1.761 172.566 174.600 -0.455 0.000 1.336 158 S CA -0.980 56.403 58.200 -1.362 0.000 0.993 158 S CB 0.658 62.975 63.200 -1.471 0.000 0.923 158 S HN 0.309 nan 8.310 nan 0.000 0.567 159 P HA 0.052 nan 4.420 nan 0.000 0.229 159 P C 1.245 178.500 177.300 -0.074 0.000 1.160 159 P CA 0.513 63.572 63.100 -0.067 0.000 0.777 159 P CB -0.159 31.551 31.700 0.017 0.000 0.814 160 V N -4.984 114.841 119.914 -0.149 0.000 2.996 160 V HA 0.478 4.598 4.120 -0.000 0.000 0.235 160 V C 1.493 177.493 176.094 -0.156 0.000 1.205 160 V CA 1.030 63.258 62.300 -0.120 0.000 1.225 160 V CB -0.794 30.965 31.823 -0.106 0.000 0.995 160 V HN 0.051 nan 8.190 nan 0.000 0.484 161 G N 1.089 109.758 108.800 -0.218 0.000 3.380 161 G HA2 0.295 4.255 3.960 -0.000 0.000 0.188 161 G HA3 0.295 4.255 3.960 -0.000 0.000 0.188 161 G C 0.799 175.567 174.900 -0.220 0.000 1.892 161 G CA 0.518 45.443 45.100 -0.292 0.000 0.912 161 G HN 0.866 nan 8.290 nan 0.000 0.609 162 H N -0.830 118.241 119.070 0.001 0.000 3.124 162 H HA 0.389 4.945 4.556 -0.000 0.000 0.250 162 H C -0.151 175.330 175.328 0.255 0.000 1.184 162 H CA -0.510 55.600 56.048 0.105 0.000 1.013 162 H CB 0.169 30.055 29.762 0.207 0.000 1.891 162 H HN 0.141 nan 8.280 nan 0.000 0.687 163 K N 1.802 122.356 120.400 0.256 0.000 2.397 163 K HA 0.292 4.612 4.320 -0.000 0.000 0.265 163 K C -0.477 176.287 176.600 0.272 0.000 0.982 163 K CA 0.152 56.554 56.287 0.192 0.000 0.931 163 K CB 1.249 33.706 32.500 -0.071 0.000 0.943 163 K HN 0.125 nan 8.250 nan 0.000 0.501 164 L N 0.629 122.004 121.223 0.254 0.000 2.388 164 L HA 0.623 4.963 4.340 -0.000 0.000 0.264 164 L C -1.022 176.063 176.870 0.359 0.000 0.998 164 L CA -0.818 54.129 54.840 0.179 0.000 0.817 164 L CB 2.223 44.232 42.059 -0.083 0.000 1.338 164 L HN 0.733 nan 8.230 nan 0.000 0.414 165 A N 1.980 124.991 122.820 0.318 0.000 2.427 165 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 165 A C -1.654 175.966 177.584 0.059 0.000 1.036 165 A CA -0.400 51.716 52.037 0.131 0.000 0.701 165 A CB 1.159 20.122 19.000 -0.060 0.000 1.250 165 A HN 0.650 nan 8.150 nan 0.000 0.412 166 Y N -0.391 119.862 120.300 -0.077 0.000 2.609 166 Y HA 0.828 5.378 4.550 -0.000 0.000 0.342 166 Y C -1.002 174.907 175.900 0.014 0.000 1.058 166 Y CA -1.613 56.422 58.100 -0.109 0.000 1.055 166 Y CB 1.313 39.647 38.460 -0.212 0.000 1.292 166 Y HN 0.387 nan 8.280 nan 0.000 0.476 167 V N 1.707 121.720 119.914 0.165 0.000 2.495 167 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 167 V C -1.444 174.850 176.094 0.334 0.000 1.031 167 V CA -0.642 61.736 62.300 0.129 0.000 0.871 167 V CB 1.296 33.111 31.823 -0.015 0.000 0.988 167 V HN 0.883 nan 8.190 nan 0.000 0.432 168 W N 4.897 126.283 121.300 0.142 0.000 3.211 168 W HA 0.446 5.106 4.660 -0.000 0.000 0.335 168 W C 0.149 176.719 176.519 0.086 0.000 1.113 168 W CA -0.673 56.735 57.345 0.104 0.000 1.235 168 W CB 1.190 30.693 29.460 0.071 0.000 1.365 168 W HN 0.776 nan 8.180 nan 0.000 0.476 169 N N 5.911 124.196 118.700 -0.692 0.000 2.716 169 N HA -0.366 4.374 4.740 -0.000 0.000 0.250 169 N C 0.236 175.556 175.510 -0.318 0.000 1.033 169 N CA 1.081 53.755 53.050 -0.627 0.000 0.727 169 N CB -0.978 36.935 38.487 -0.957 0.000 0.950 169 N HN 0.839 nan 8.380 nan 0.000 0.541 170 N N -1.841 116.738 118.700 -0.203 0.000 2.863 170 N HA -0.167 4.573 4.740 -0.000 0.000 0.245 170 N C -1.248 174.156 175.510 -0.175 0.000 1.001 170 N CA 1.204 54.151 53.050 -0.173 0.000 0.901 170 N CB -0.354 37.993 38.487 -0.233 0.000 1.124 170 N HN 0.460 nan 8.380 nan 0.000 0.582 171 D N 0.710 121.011 120.400 -0.165 0.000 2.252 171 D HA 0.453 5.093 4.640 -0.000 0.000 0.245 171 D C 0.386 176.467 176.300 -0.365 0.000 1.009 171 D CA -0.344 53.471 54.000 -0.308 0.000 0.870 171 D CB 1.585 42.139 40.800 -0.409 0.000 1.251 171 D HN 0.055 nan 8.370 nan 0.000 0.460 172 I N 1.845 122.058 120.570 -0.596 0.000 2.395 172 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 172 I C -0.637 175.003 176.117 -0.795 0.000 1.023 172 I CA -0.358 60.580 61.300 -0.603 0.000 1.350 172 I CB 0.380 37.953 38.000 -0.712 0.000 1.409 172 I HN 0.143 nan 8.210 nan 0.000 0.507 173 Y N 4.457 124.354 120.300 -0.671 0.000 2.462 173 Y HA 0.543 5.093 4.550 -0.000 0.000 0.346 173 Y C -0.254 175.345 175.900 -0.503 0.000 0.976 173 Y CA -0.956 56.723 58.100 -0.700 0.000 1.044 173 Y CB 2.013 39.738 38.460 -1.226 0.000 1.230 173 Y HN 0.116 nan 8.280 nan 0.000 0.455 174 V N 3.384 123.271 119.914 -0.045 0.000 2.407 174 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 174 V C -0.612 175.633 176.094 0.252 0.000 1.018 174 V CA -1.316 61.047 62.300 0.105 0.000 0.842 174 V CB 1.397 33.276 31.823 0.093 0.000 0.996 174 V HN 0.614 nan 8.190 nan 0.000 0.426 175 K N 4.522 125.074 120.400 0.254 0.000 2.266 175 K HA 0.483 4.803 4.320 -0.000 0.000 0.274 175 K C 0.985 177.716 176.600 0.218 0.000 1.090 175 K CA -0.310 56.113 56.287 0.228 0.000 0.925 175 K CB 1.016 33.605 32.500 0.149 0.000 1.225 175 K HN 0.583 nan 8.250 nan 0.000 0.458 176 I N 1.305 122.023 120.570 0.246 0.000 2.264 176 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 176 I C 0.351 176.582 176.117 0.190 0.000 1.111 176 I CA 1.520 62.944 61.300 0.207 0.000 1.382 176 I CB 0.043 38.160 38.000 0.195 0.000 1.060 176 I HN 0.593 nan 8.210 nan 0.000 0.418 177 E N -1.091 119.176 120.200 0.112 0.000 2.314 177 E HA 0.205 4.555 4.350 -0.000 0.000 0.272 177 E C -1.921 174.604 176.600 -0.126 0.000 0.884 177 E CA -1.730 54.653 56.400 -0.028 0.000 0.753 177 E CB 2.398 32.076 29.700 -0.038 0.000 1.213 177 E HN -0.245 nan 8.360 nan 0.000 0.432 178 P HA -0.210 nan 4.420 nan 0.000 0.217 178 P C 0.557 177.740 177.300 -0.194 0.000 1.148 178 P CA 1.456 64.347 63.100 -0.348 0.000 0.834 178 P CB 0.156 31.369 31.700 -0.810 0.000 0.783 179 N N -2.335 116.278 118.700 -0.145 0.000 2.236 179 N HA 0.041 4.781 4.740 -0.000 0.000 0.196 179 N C 0.154 175.635 175.510 -0.049 0.000 1.114 179 N CA 0.128 53.135 53.050 -0.073 0.000 0.859 179 N CB -0.698 37.767 38.487 -0.036 0.000 0.982 179 N HN 0.030 nan 8.380 nan 0.000 0.493 180 L N 1.712 122.911 121.223 -0.040 0.000 2.421 180 L HA 0.499 4.839 4.340 -0.000 0.000 0.263 180 L C -2.066 174.786 176.870 -0.030 0.000 1.122 180 L CA -2.062 52.768 54.840 -0.016 0.000 0.804 180 L CB 0.478 42.555 42.059 0.029 0.000 1.150 180 L HN 0.049 nan 8.230 nan 0.000 0.457 181 P HA 0.191 nan 4.420 nan 0.000 0.282 181 P C -1.023 176.207 177.300 -0.116 0.000 1.249 181 P CA -0.547 62.494 63.100 -0.098 0.000 0.806 181 P CB 0.872 32.492 31.700 -0.134 0.000 0.984 182 S N 1.541 117.217 115.700 -0.040 0.000 2.572 182 S HA 0.196 4.666 4.470 -0.000 0.000 0.279 182 S C -0.237 174.350 174.600 -0.022 0.000 1.341 182 S CA 0.065 58.309 58.200 0.073 0.000 1.043 182 S CB -0.362 62.946 63.200 0.180 0.000 0.887 182 S HN 0.285 nan 8.310 nan 0.000 0.516 183 Y N 0.907 121.240 120.300 0.054 0.000 2.323 183 Y HA 0.362 4.912 4.550 -0.000 0.000 0.331 183 Y C 1.045 176.873 175.900 -0.120 0.000 1.092 183 Y CA -0.773 57.331 58.100 0.006 0.000 1.150 183 Y CB 0.778 39.243 38.460 0.010 0.000 1.200 183 Y HN 0.353 nan 8.280 nan 0.000 0.472 184 R N 3.901 124.348 120.500 -0.089 0.000 2.216 184 R HA 0.187 4.527 4.340 -0.000 0.000 0.332 184 R C 0.285 176.347 176.300 -0.396 0.000 1.056 184 R CA -0.006 55.753 56.100 -0.569 0.000 0.901 184 R CB 0.621 30.369 30.300 -0.920 0.000 1.039 184 R HN 0.775 nan 8.270 nan 0.000 0.456 185 I N 1.064 121.333 120.570 -0.501 0.000 2.716 185 I HA -0.003 4.167 4.170 -0.000 0.000 0.259 185 I C 0.800 176.726 176.117 -0.320 0.000 1.172 185 I CA 1.019 62.129 61.300 -0.316 0.000 1.478 185 I CB -0.263 37.513 38.000 -0.373 0.000 1.104 185 I HN 0.324 nan 8.210 nan 0.000 0.439 186 T N -1.106 113.098 114.554 -0.584 0.000 2.933 186 T HA 0.333 4.683 4.350 -0.000 0.000 0.305 186 T C -0.814 173.539 174.700 -0.579 0.000 1.092 186 T CA -0.308 61.529 62.100 -0.438 0.000 1.008 186 T CB 1.863 70.435 68.868 -0.493 0.000 1.102 186 T HN 0.121 nan 8.240 nan 0.000 0.469 187 W N 0.494 121.672 121.300 -0.203 0.000 2.324 187 W HA 0.176 4.836 4.660 -0.000 0.000 0.316 187 W C 1.856 178.309 176.519 -0.112 0.000 0.927 187 W CA -0.321 56.941 57.345 -0.139 0.000 1.438 187 W CB 0.210 29.611 29.460 -0.098 0.000 1.085 187 W HN 0.739 nan 8.180 nan 0.000 0.532 188 T N -2.694 111.888 114.554 0.047 0.000 3.086 188 T HA 0.294 4.644 4.350 -0.000 0.000 0.250 188 T C 1.216 175.899 174.700 -0.030 0.000 1.074 188 T CA 0.186 62.299 62.100 0.022 0.000 0.988 188 T CB -0.128 68.750 68.868 0.016 0.000 0.988 188 T HN -0.004 nan 8.240 nan 0.000 0.530 189 G N 1.434 110.184 108.800 -0.084 0.000 2.265 189 G HA2 0.351 4.311 3.960 -0.000 0.000 0.240 189 G HA3 0.351 4.311 3.960 -0.000 0.000 0.240 189 G C -0.609 174.215 174.900 -0.128 0.000 1.270 189 G CA -0.369 44.654 45.100 -0.129 0.000 0.901 189 G HN 0.567 nan 8.290 nan 0.000 0.507 190 K N 1.995 122.303 120.400 -0.153 0.000 2.581 190 K HA 0.217 4.537 4.320 -0.000 0.000 0.249 190 K C -0.111 176.360 176.600 -0.215 0.000 0.966 190 K CA -0.691 55.510 56.287 -0.143 0.000 0.811 190 K CB 1.626 34.080 32.500 -0.076 0.000 1.223 190 K HN 0.578 nan 8.250 nan 0.000 0.438 191 E N 3.220 123.304 120.200 -0.193 0.000 2.694 191 E HA -0.160 4.190 4.350 -0.000 0.000 0.250 191 E C -0.567 175.948 176.600 -0.141 0.000 0.963 191 E CA 1.072 57.360 56.400 -0.188 0.000 0.949 191 E CB 0.214 29.840 29.700 -0.123 0.000 0.911 191 E HN 0.681 nan 8.360 nan 0.000 0.500 192 D N 2.419 122.719 120.400 -0.166 0.000 2.978 192 D HA -0.238 4.402 4.640 -0.000 0.000 0.205 192 D C 0.582 176.946 176.300 0.107 0.000 1.093 192 D CA 1.465 55.497 54.000 0.053 0.000 1.006 192 D CB -0.542 40.319 40.800 0.101 0.000 1.116 192 D HN 0.416 nan 8.370 nan 0.000 0.419 193 I N -0.627 119.915 120.570 -0.047 0.000 3.650 193 I HA 0.221 4.391 4.170 -0.000 0.000 0.261 193 I C 0.997 177.197 176.117 0.139 0.000 1.154 193 I CA 0.488 61.841 61.300 0.089 0.000 1.418 193 I CB 0.173 38.200 38.000 0.045 0.000 1.539 193 I HN -0.106 nan 8.210 nan 0.000 0.449 194 I N 1.229 121.782 120.570 -0.028 0.000 2.410 194 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 194 I C -1.453 174.642 176.117 -0.038 0.000 1.009 194 I CA -0.580 60.764 61.300 0.073 0.000 1.111 194 I CB 1.631 39.661 38.000 0.049 0.000 1.262 194 I HN -0.031 nan 8.210 nan 0.000 0.443 195 Y N 4.985 125.365 120.300 0.133 0.000 2.334 195 Y HA 0.385 4.935 4.550 -0.000 0.000 0.336 195 Y C 0.187 176.128 175.900 0.069 0.000 0.960 195 Y CA -0.910 57.266 58.100 0.127 0.000 1.164 195 Y CB 0.851 39.468 38.460 0.262 0.000 1.155 195 Y HN 0.434 nan 8.280 nan 0.000 0.478 196 N N 2.105 120.840 118.700 0.059 0.000 2.408 196 N HA 0.323 5.062 4.740 -0.000 0.000 0.280 196 N C 0.823 176.235 175.510 -0.162 0.000 1.002 196 N CA 0.326 53.329 53.050 -0.077 0.000 0.907 196 N CB 1.933 40.266 38.487 -0.257 0.000 1.161 196 N HN 0.969 nan 8.380 nan 0.000 0.488 197 G N 1.542 110.253 108.800 -0.147 0.000 2.168 197 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 197 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 197 G C 0.108 174.839 174.900 -0.282 0.000 0.977 197 G CA 0.994 45.946 45.100 -0.246 0.000 0.659 197 G HN 0.691 nan 8.290 nan 0.000 0.533 198 I N -2.834 117.651 120.570 -0.142 0.000 2.994 198 I HA 0.801 4.971 4.170 -0.000 0.000 0.306 198 I C 0.181 176.335 176.117 0.062 0.000 1.195 198 I CA -0.771 60.380 61.300 -0.249 0.000 1.001 198 I CB 1.995 39.687 38.000 -0.513 0.000 1.244 198 I HN 0.139 nan 8.210 nan 0.000 0.437 199 T N -0.496 114.025 114.554 -0.054 0.000 2.909 199 T HA 0.416 4.766 4.350 -0.000 0.000 0.286 199 T C -0.238 174.288 174.700 -0.291 0.000 1.002 199 T CA -0.696 61.250 62.100 -0.256 0.000 1.074 199 T CB 1.249 70.046 68.868 -0.118 0.000 0.984 199 T HN 0.755 nan 8.240 nan 0.000 0.495 200 D N 0.822 120.757 120.400 -0.775 0.000 2.414 200 D HA 0.008 4.648 4.640 -0.000 0.000 0.259 200 D C 1.035 177.281 176.300 -0.090 0.000 1.269 200 D CA -0.994 52.557 54.000 -0.747 0.000 1.028 200 D CB 0.106 40.408 40.800 -0.829 0.000 1.093 200 D HN 0.710 nan 8.370 nan 0.000 0.545 201 W N 0.170 121.448 121.300 -0.037 0.000 2.301 201 W HA -0.270 4.390 4.660 -0.000 0.000 0.325 201 W C 2.214 178.653 176.519 -0.134 0.000 1.250 201 W CA 2.736 60.050 57.345 -0.052 0.000 1.261 201 W CB -0.523 28.842 29.460 -0.158 0.000 1.157 201 W HN 0.198 nan 8.180 nan 0.000 0.473 202 V N -0.361 119.653 119.914 0.167 0.000 2.453 202 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 202 V C 1.889 177.845 176.094 -0.229 0.000 1.048 202 V CA 1.988 64.277 62.300 -0.018 0.000 1.049 202 V CB -0.769 31.043 31.823 -0.019 0.000 0.672 202 V HN 0.309 nan 8.190 nan 0.000 0.457 203 Y N 0.807 120.960 120.300 -0.245 0.000 2.274 203 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 203 Y C 2.560 178.375 175.900 -0.142 0.000 1.145 203 Y CA 2.161 60.118 58.100 -0.240 0.000 1.203 203 Y CB -0.080 38.103 38.460 -0.461 0.000 0.984 203 Y HN 0.419 nan 8.280 nan 0.000 0.533 204 E N 0.476 120.657 120.200 -0.032 0.000 2.017 204 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 204 E C 2.068 178.645 176.600 -0.038 0.000 0.997 204 E CA 1.642 58.050 56.400 0.013 0.000 0.804 204 E CB -0.089 29.619 29.700 0.013 0.000 0.757 204 E HN 0.414 nan 8.360 nan 0.000 0.448 205 E N -0.005 119.991 120.200 -0.341 0.000 2.072 205 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 205 E C 1.752 178.245 176.600 -0.178 0.000 0.982 205 E CA 1.564 57.749 56.400 -0.358 0.000 0.803 205 E CB 0.163 29.314 29.700 -0.915 0.000 0.755 205 E HN 0.251 nan 8.360 nan 0.000 0.453 206 E N -0.660 119.410 120.200 -0.217 0.000 2.340 206 E HA 0.035 4.385 4.350 -0.000 0.000 0.198 206 E C 1.879 178.355 176.600 -0.206 0.000 0.961 206 E CA 0.865 57.173 56.400 -0.153 0.000 0.905 206 E CB 0.715 30.314 29.700 -0.169 0.000 0.884 206 E HN 0.296 nan 8.360 nan 0.000 0.491 207 V N -1.222 118.521 119.914 -0.284 0.000 2.911 207 V HA 0.106 4.226 4.120 -0.000 0.000 0.237 207 V C 1.269 177.148 176.094 -0.359 0.000 1.156 207 V CA 0.490 62.550 62.300 -0.400 0.000 1.180 207 V CB -0.177 31.264 31.823 -0.638 0.000 0.932 207 V HN -0.010 nan 8.190 nan 0.000 0.483 208 F N 1.525 121.492 119.950 0.028 0.000 2.754 208 F HA 0.439 4.966 4.527 -0.000 0.000 0.297 208 F C 1.602 177.370 175.800 -0.054 0.000 1.122 208 F CA 0.566 58.593 58.000 0.046 0.000 1.400 208 F CB -0.338 38.734 39.000 0.120 0.000 1.117 208 F HN 0.170 nan 8.300 nan 0.000 0.587 209 S N 0.833 116.552 115.700 0.031 0.000 3.477 209 S HA 0.039 4.509 4.470 -0.000 0.000 0.371 209 S C 0.046 174.266 174.600 -0.633 0.000 0.965 209 S CA 0.439 58.515 58.200 -0.207 0.000 1.239 209 S CB -1.604 61.515 63.200 -0.135 0.000 0.918 209 S HN 0.675 nan 8.310 nan 0.000 0.498 210 A N -0.307 122.335 122.820 -0.296 0.000 2.569 210 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 210 A C -0.342 177.235 177.584 -0.010 0.000 1.032 210 A CA -0.499 51.402 52.037 -0.226 0.000 0.669 210 A CB 0.111 18.983 19.000 -0.215 0.000 1.290 210 A HN 0.319 nan 8.150 nan 0.000 0.422 211 Y N 1.336 121.495 120.300 -0.234 0.000 2.420 211 Y HA 0.202 4.751 4.550 -0.000 0.000 0.292 211 Y C 1.647 177.270 175.900 -0.460 0.000 1.119 211 Y CA 1.067 59.025 58.100 -0.236 0.000 1.229 211 Y CB 0.024 38.387 38.460 -0.163 0.000 1.026 211 Y HN 0.792 nan 8.280 nan 0.000 0.554 212 S N 0.629 115.822 115.700 -0.845 0.000 2.549 212 S HA 0.439 4.909 4.470 -0.000 0.000 0.283 212 S C 0.330 174.412 174.600 -0.864 0.000 1.320 212 S CA 0.140 57.604 58.200 -1.225 0.000 1.058 212 S CB 0.694 62.850 63.200 -1.741 0.000 0.882 212 S HN 0.407 nan 8.310 nan 0.000 0.498 213 A N 4.159 126.468 122.820 -0.853 0.000 2.663 213 A HA 0.514 4.834 4.320 -0.000 0.000 0.273 213 A C -0.690 176.165 177.584 -1.215 0.000 0.932 213 A CA -0.628 50.829 52.037 -0.966 0.000 1.055 213 A CB -0.400 18.453 19.000 -0.245 0.000 1.206 213 A HN 0.931 nan 8.150 nan 0.000 0.485 214 L N -4.824 115.597 121.223 -1.336 0.000 2.388 214 L HA 0.903 5.242 4.340 -0.000 0.000 0.264 214 L C -1.162 175.164 176.870 -0.907 0.000 0.998 214 L CA -1.114 53.179 54.840 -0.912 0.000 0.817 214 L CB 1.104 42.896 42.059 -0.445 0.000 1.338 214 L HN 0.216 nan 8.230 nan 0.000 0.414 215 W N 1.524 122.851 121.300 0.044 0.000 2.591 215 W HA 0.298 4.958 4.660 -0.000 0.000 0.311 215 W C -1.426 175.353 176.519 0.434 0.000 1.003 215 W CA -0.845 56.659 57.345 0.266 0.000 1.332 215 W CB 1.263 30.897 29.460 0.290 0.000 1.272 215 W HN 0.631 nan 8.180 nan 0.000 0.412 216 W N 2.760 124.315 121.300 0.426 0.000 2.223 216 W HA 0.135 4.795 4.660 -0.000 0.000 0.334 216 W C 1.448 177.899 176.519 -0.115 0.000 1.334 216 W CA 0.528 57.995 57.345 0.203 0.000 1.246 216 W CB 0.698 30.235 29.460 0.127 0.000 1.184 216 W HN 0.204 nan 8.180 nan 0.000 0.563 217 S N 3.384 118.881 115.700 -0.337 0.000 2.584 217 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 217 S C -1.629 172.714 174.600 -0.428 0.000 1.346 217 S CA -1.016 56.388 58.200 -1.327 0.000 1.018 217 S CB 1.169 63.583 63.200 -1.310 0.000 0.899 217 S HN 0.296 nan 8.310 nan 0.000 0.542 218 P HA -0.152 nan 4.420 nan 0.000 0.216 218 P C 1.168 178.429 177.300 -0.064 0.000 1.153 218 P CA 1.606 64.663 63.100 -0.071 0.000 0.858 218 P CB -0.195 31.507 31.700 0.003 0.000 0.789 219 N N -1.525 117.122 118.700 -0.088 0.000 2.395 219 N HA 0.043 4.783 4.740 -0.000 0.000 0.175 219 N C 1.268 176.700 175.510 -0.129 0.000 1.029 219 N CA 1.489 54.488 53.050 -0.085 0.000 0.897 219 N CB -0.808 37.641 38.487 -0.064 0.000 0.991 219 N HN 0.232 nan 8.380 nan 0.000 0.441 220 G N -1.840 106.888 108.800 -0.120 0.000 2.183 220 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.168 220 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.168 220 G C 0.748 175.639 174.900 -0.016 0.000 1.008 220 G CA 0.352 45.367 45.100 -0.141 0.000 0.677 220 G HN 0.334 nan 8.290 nan 0.000 0.498 221 T N 0.454 114.953 114.554 -0.091 0.000 2.732 221 T HA 0.270 4.620 4.350 -0.000 0.000 0.261 221 T C 0.765 175.279 174.700 -0.311 0.000 1.040 221 T CA 1.019 62.954 62.100 -0.275 0.000 1.145 221 T CB -0.058 68.519 68.868 -0.484 0.000 0.866 221 T HN 0.238 nan 8.240 nan 0.000 0.427 222 F N 0.522 120.508 119.950 0.060 0.000 2.425 222 F HA 0.616 5.143 4.527 -0.000 0.000 0.331 222 F C -0.225 175.680 175.800 0.174 0.000 1.085 222 F CA -1.523 56.553 58.000 0.128 0.000 1.028 222 F CB 1.026 40.144 39.000 0.196 0.000 1.177 222 F HN -0.079 nan 8.300 nan 0.000 0.487 223 L N 2.838 124.234 121.223 0.289 0.000 2.319 223 L HA 0.776 5.116 4.340 -0.000 0.000 0.281 223 L C -0.488 176.492 176.870 0.183 0.000 1.005 223 L CA -0.452 54.398 54.840 0.016 0.000 0.828 223 L CB 0.794 42.605 42.059 -0.414 0.000 1.227 223 L HN 0.686 nan 8.230 nan 0.000 0.415 224 A N 4.795 127.786 122.820 0.286 0.000 2.303 224 A HA 0.752 5.072 4.320 -0.000 0.000 0.317 224 A C -1.385 176.242 177.584 0.072 0.000 1.149 224 A CA -0.241 51.830 52.037 0.057 0.000 0.822 224 A CB 0.541 19.643 19.000 0.171 0.000 1.131 224 A HN 0.851 nan 8.150 nan 0.000 0.493 225 Y N -1.652 118.414 120.300 -0.390 0.000 2.581 225 Y HA 0.731 5.281 4.550 -0.000 0.000 0.337 225 Y C -0.372 175.329 175.900 -0.332 0.000 1.108 225 Y CA -0.877 57.075 58.100 -0.248 0.000 1.033 225 Y CB 0.853 39.157 38.460 -0.259 0.000 1.318 225 Y HN 0.913 nan 8.280 nan 0.000 0.459 226 A N 2.660 125.549 122.820 0.116 0.000 2.306 226 A HA 0.667 4.987 4.320 -0.000 0.000 0.330 226 A C -1.104 176.384 177.584 -0.160 0.000 1.146 226 A CA -0.832 51.176 52.037 -0.049 0.000 0.827 226 A CB 1.681 20.636 19.000 -0.075 0.000 1.178 226 A HN 0.821 nan 8.150 nan 0.000 0.490 227 Q N 1.054 120.696 119.800 -0.262 0.000 2.340 227 Q HA 0.621 4.961 4.340 -0.000 0.000 0.268 227 Q C -2.024 173.720 176.000 -0.426 0.000 1.031 227 Q CA -0.376 55.324 55.803 -0.172 0.000 0.804 227 Q CB 1.098 29.957 28.738 0.202 0.000 1.286 227 Q HN 0.599 nan 8.270 nan 0.000 0.448 228 F N 2.088 122.136 119.950 0.164 0.000 2.492 228 F HA 0.459 4.986 4.527 -0.000 0.000 0.327 228 F C 0.313 176.267 175.800 0.256 0.000 1.079 228 F CA -0.965 57.114 58.000 0.132 0.000 0.967 228 F CB 1.512 40.494 39.000 -0.030 0.000 1.169 228 F HN 0.444 nan 8.300 nan 0.000 0.472 229 N N 1.360 120.300 118.700 0.400 0.000 2.491 229 N HA 0.239 4.979 4.740 -0.000 0.000 0.274 229 N C -0.920 174.769 175.510 0.299 0.000 1.023 229 N CA -0.409 52.831 53.050 0.317 0.000 0.902 229 N CB 1.046 39.662 38.487 0.215 0.000 1.267 229 N HN 0.501 nan 8.380 nan 0.000 0.503 230 D N 1.600 122.197 120.400 0.329 0.000 2.368 230 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 230 D C 1.193 177.609 176.300 0.193 0.000 1.112 230 D CA 0.194 54.359 54.000 0.274 0.000 0.834 230 D CB 0.412 41.426 40.800 0.357 0.000 0.953 230 D HN 0.508 nan 8.370 nan 0.000 0.505 231 T N 0.599 115.250 114.554 0.162 0.000 2.594 231 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 231 T C 1.382 176.138 174.700 0.094 0.000 1.070 231 T CA 1.302 63.470 62.100 0.113 0.000 1.166 231 T CB 0.014 68.939 68.868 0.095 0.000 0.862 231 T HN 0.206 nan 8.240 nan 0.000 0.436 232 E N 0.694 120.949 120.200 0.093 0.000 2.444 232 E HA 0.172 4.522 4.350 -0.000 0.000 0.191 232 E C -0.247 176.400 176.600 0.077 0.000 1.041 232 E CA -0.040 56.404 56.400 0.073 0.000 0.883 232 E CB 0.299 30.035 29.700 0.061 0.000 1.024 232 E HN 0.276 nan 8.360 nan 0.000 0.470 233 V N 3.816 123.789 119.914 0.099 0.000 2.488 233 V HA 0.131 4.251 4.120 -0.000 0.000 0.277 233 V C -2.088 174.059 176.094 0.088 0.000 1.046 233 V CA -1.504 60.858 62.300 0.103 0.000 0.986 233 V CB 0.728 32.631 31.823 0.134 0.000 0.989 233 V HN 0.017 nan 8.190 nan 0.000 0.475 234 P HA 0.269 nan 4.420 nan 0.000 0.271 234 P C -0.732 176.595 177.300 0.046 0.000 1.218 234 P CA -0.270 62.861 63.100 0.051 0.000 0.780 234 P CB 0.508 32.234 31.700 0.044 0.000 0.901 235 L N 3.062 124.291 121.223 0.010 0.000 2.276 235 L HA 0.373 4.713 4.340 -0.000 0.000 0.286 235 L C 0.599 177.410 176.870 -0.098 0.000 1.061 235 L CA -0.950 53.876 54.840 -0.023 0.000 0.807 235 L CB 0.736 42.778 42.059 -0.028 0.000 1.177 235 L HN 0.326 nan 8.230 nan 0.000 0.429 236 I N 3.405 123.866 120.570 -0.181 0.000 2.496 236 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 236 I C -0.166 175.789 176.117 -0.270 0.000 1.080 236 I CA 0.488 61.578 61.300 -0.350 0.000 1.404 236 I CB 0.519 38.028 38.000 -0.819 0.000 1.403 236 I HN 0.578 nan 8.210 nan 0.000 0.539 237 E N 7.531 127.592 120.200 -0.231 0.000 2.234 237 E HA 0.488 4.838 4.350 -0.000 0.000 0.266 237 E C -1.744 174.781 176.600 -0.126 0.000 0.877 237 E CA -0.637 55.627 56.400 -0.227 0.000 0.758 237 E CB 1.961 31.565 29.700 -0.161 0.000 1.170 237 E HN 0.574 nan 8.360 nan 0.000 0.415 238 Y N -1.761 118.462 120.300 -0.128 0.000 2.597 238 Y HA 0.549 5.099 4.550 -0.000 0.000 0.340 238 Y C -0.599 175.248 175.900 -0.090 0.000 1.097 238 Y CA -1.300 56.738 58.100 -0.104 0.000 1.037 238 Y CB 1.006 39.416 38.460 -0.083 0.000 1.305 238 Y HN 0.206 nan 8.280 nan 0.000 0.463 239 S N 2.049 117.770 115.700 0.036 0.000 2.548 239 S HA 0.389 4.859 4.470 -0.000 0.000 0.277 239 S C -1.305 173.171 174.600 -0.206 0.000 1.315 239 S CA -0.334 57.737 58.200 -0.216 0.000 1.050 239 S CB 0.075 63.000 63.200 -0.457 0.000 0.918 239 S HN 0.511 nan 8.310 nan 0.000 0.497 240 F N 2.886 122.611 119.950 -0.376 0.000 2.467 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.336 240 F C -0.177 175.414 175.800 -0.348 0.000 1.123 240 F CA -0.796 57.063 58.000 -0.235 0.000 0.964 240 F CB 0.851 39.842 39.000 -0.015 0.000 1.136 240 F HN 0.662 nan 8.300 nan 0.000 0.447 241 Y N 2.612 122.694 120.300 -0.365 0.000 2.476 241 Y HA 0.139 4.689 4.550 -0.000 0.000 0.283 241 Y C 1.637 177.468 175.900 -0.116 0.000 1.109 241 Y CA 0.943 58.930 58.100 -0.187 0.000 1.246 241 Y CB -0.552 37.786 38.460 -0.205 0.000 1.068 241 Y HN 0.728 nan 8.280 nan 0.000 0.552 242 S N -0.029 115.604 115.700 -0.113 0.000 3.381 242 S HA -0.223 4.247 4.470 -0.000 0.000 0.636 242 S C -0.493 174.162 174.600 0.091 0.000 2.614 242 S CA 0.324 58.615 58.200 0.152 0.000 2.810 242 S CB -1.086 62.291 63.200 0.295 0.000 0.331 242 S HN 0.486 nan 8.310 nan 0.000 1.788 243 D N 1.546 122.015 120.400 0.115 0.000 2.400 243 D HA 0.105 4.745 4.640 -0.000 0.000 0.238 243 D C 1.410 177.745 176.300 0.058 0.000 1.157 243 D CA 0.518 54.563 54.000 0.076 0.000 0.889 243 D CB 0.226 41.070 40.800 0.074 0.000 1.199 243 D HN 0.695 nan 8.370 nan 0.000 0.436 244 E N 0.793 121.016 120.200 0.037 0.000 2.208 244 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 244 E C 1.555 178.171 176.600 0.027 0.000 1.014 244 E CA 1.765 58.179 56.400 0.024 0.000 0.819 244 E CB 0.096 29.804 29.700 0.013 0.000 0.735 244 E HN 0.444 nan 8.360 nan 0.000 0.469 245 S N -0.129 115.592 115.700 0.035 0.000 2.481 245 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 245 S C 1.056 175.682 174.600 0.044 0.000 0.996 245 S CA -0.084 58.136 58.200 0.034 0.000 0.942 245 S CB -0.141 63.082 63.200 0.037 0.000 0.768 245 S HN 0.279 nan 8.310 nan 0.000 0.520 246 L N 2.394 123.652 121.223 0.059 0.000 2.433 246 L HA 0.146 4.486 4.340 -0.000 0.000 0.275 246 L C 1.607 178.513 176.870 0.061 0.000 1.128 246 L CA 0.015 54.901 54.840 0.077 0.000 0.875 246 L CB 0.979 43.098 42.059 0.100 0.000 1.171 246 L HN 0.458 nan 8.230 nan 0.000 0.463 247 Q N 4.199 124.040 119.800 0.068 0.000 2.046 247 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 247 Q C -0.580 175.358 176.000 -0.102 0.000 0.975 247 Q CA 1.496 57.292 55.803 -0.013 0.000 0.836 247 Q CB 0.172 28.927 28.738 0.029 0.000 0.896 247 Q HN 0.584 nan 8.270 nan 0.000 0.428 248 Y N 0.615 120.927 120.300 0.019 0.000 2.335 248 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 248 Y C -2.016 173.888 175.900 0.006 0.000 0.977 248 Y CA -3.009 55.098 58.100 0.012 0.000 1.114 248 Y CB 1.174 39.633 38.460 -0.001 0.000 1.182 248 Y HN 0.170 nan 8.280 nan 0.000 0.463 249 P HA 0.012 nan 4.420 nan 0.000 0.268 249 P C -0.787 176.515 177.300 0.003 0.000 1.208 249 P CA -0.400 62.702 63.100 0.004 0.000 0.777 249 P CB 0.576 32.202 31.700 -0.124 0.000 0.875 250 K N 0.215 120.606 120.400 -0.015 0.000 2.095 250 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 250 K C -0.927 175.632 176.600 -0.068 0.000 0.977 250 K CA -0.604 55.676 56.287 -0.012 0.000 0.900 250 K CB 0.753 33.268 32.500 0.025 0.000 1.060 250 K HN 0.226 nan 8.250 nan 0.000 0.449 251 T N 2.106 116.606 114.554 -0.089 0.000 2.756 251 T HA 0.232 4.582 4.350 -0.000 0.000 0.290 251 T C -0.501 174.082 174.700 -0.194 0.000 0.985 251 T CA -0.742 61.272 62.100 -0.144 0.000 0.955 251 T CB 1.092 69.886 68.868 -0.124 0.000 0.930 251 T HN 0.383 nan 8.240 nan 0.000 0.451 252 V N 6.048 125.761 119.914 -0.335 0.000 2.530 252 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 252 V C 0.533 176.349 176.094 -0.464 0.000 1.048 252 V CA -0.537 61.511 62.300 -0.420 0.000 0.997 252 V CB 0.325 31.768 31.823 -0.633 0.000 0.987 252 V HN 0.783 nan 8.190 nan 0.000 0.477 253 R N 4.319 124.677 120.500 -0.236 0.000 2.532 253 R HA 0.813 5.153 4.340 -0.000 0.000 0.297 253 R C -1.822 174.454 176.300 -0.040 0.000 0.984 253 R CA -0.649 55.347 56.100 -0.173 0.000 0.884 253 R CB 1.887 32.112 30.300 -0.125 0.000 1.182 253 R HN 0.459 nan 8.270 nan 0.000 0.442 254 V N 2.906 122.801 119.914 -0.032 0.000 2.686 254 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 254 V C -2.718 173.424 176.094 0.081 0.000 1.065 254 V CA -2.363 59.993 62.300 0.093 0.000 0.894 254 V CB 2.632 34.542 31.823 0.145 0.000 1.004 254 V HN 0.678 nan 8.190 nan 0.000 0.424 255 P HA 0.231 nan 4.420 nan 0.000 0.270 255 P C -1.750 175.661 177.300 0.185 0.000 1.242 255 P CA 0.510 63.716 63.100 0.177 0.000 0.768 255 P CB -0.285 31.562 31.700 0.245 0.000 0.820 256 Y N 6.380 126.655 120.300 -0.042 0.000 2.307 256 Y HA 0.380 4.930 4.550 -0.000 0.000 0.323 256 Y C -2.773 173.092 175.900 -0.057 0.000 1.100 256 Y CA -2.962 55.059 58.100 -0.133 0.000 1.140 256 Y CB 1.756 40.002 38.460 -0.357 0.000 1.159 256 Y HN 0.273 nan 8.280 nan 0.000 0.436 257 P HA 0.244 nan 4.420 nan 0.000 0.286 257 P C -0.801 176.542 177.300 0.071 0.000 1.321 257 P CA -0.144 62.992 63.100 0.060 0.000 0.790 257 P CB 1.088 32.808 31.700 0.034 0.000 0.897 258 K N 2.026 122.543 120.400 0.195 0.000 2.149 258 K HA 0.446 4.766 4.320 -0.000 0.000 0.245 258 K C 0.648 177.337 176.600 0.148 0.000 1.024 258 K CA -0.604 55.815 56.287 0.221 0.000 0.899 258 K CB 0.464 33.114 32.500 0.249 0.000 1.038 258 K HN 0.447 nan 8.250 nan 0.000 0.496 259 A N 0.761 123.692 122.820 0.185 0.000 2.566 259 A HA 0.310 4.630 4.320 -0.000 0.000 0.245 259 A C 1.188 178.800 177.584 0.046 0.000 1.056 259 A CA 0.965 53.094 52.037 0.153 0.000 0.757 259 A CB -0.995 18.170 19.000 0.276 0.000 0.979 259 A HN 0.895 nan 8.150 nan 0.000 0.508 260 G N 0.889 109.704 108.800 0.025 0.000 2.241 260 G HA2 0.128 4.088 3.960 -0.000 0.000 0.244 260 G HA3 0.128 4.088 3.960 -0.000 0.000 0.244 260 G C 0.667 175.572 174.900 0.009 0.000 0.998 260 G CA 0.605 45.695 45.100 -0.017 0.000 0.621 260 G HN 2.156 nan 8.290 nan 0.000 0.519 261 A N -0.019 122.822 122.820 0.035 0.000 2.246 261 A HA 0.767 5.087 4.320 -0.000 0.000 0.291 261 A C 0.863 178.472 177.584 0.042 0.000 1.103 261 A CA 0.298 52.359 52.037 0.041 0.000 0.844 261 A CB 0.710 19.747 19.000 0.061 0.000 1.136 261 A HN 1.210 nan 8.150 nan 0.000 0.500 262 V N 2.364 122.303 119.914 0.043 0.000 2.540 262 V HA -0.009 4.111 4.120 -0.000 0.000 0.297 262 V C 0.424 176.555 176.094 0.060 0.000 1.024 262 V CA 0.067 62.393 62.300 0.044 0.000 1.105 262 V CB -0.401 31.449 31.823 0.045 0.000 0.938 262 V HN 0.787 nan 8.190 nan 0.000 0.482 263 N N 6.019 124.751 118.700 0.052 0.000 2.495 263 N HA 0.448 5.188 4.740 -0.000 0.000 0.280 263 N C -2.371 173.208 175.510 0.115 0.000 1.168 263 N CA -1.573 51.525 53.050 0.080 0.000 0.978 263 N CB 1.152 39.663 38.487 0.040 0.000 1.191 263 N HN 0.399 nan 8.380 nan 0.000 0.497 264 P HA 0.038 nan 4.420 nan 0.000 0.269 264 P C -0.267 177.185 177.300 0.254 0.000 1.209 264 P CA -0.042 63.216 63.100 0.262 0.000 0.776 264 P CB 0.227 32.154 31.700 0.377 0.000 0.876 265 T N -1.182 113.507 114.554 0.224 0.000 2.936 265 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 265 T C -0.317 174.523 174.700 0.233 0.000 1.003 265 T CA -0.842 61.352 62.100 0.157 0.000 1.005 265 T CB 1.512 70.436 68.868 0.093 0.000 1.097 265 T HN 0.335 nan 8.240 nan 0.000 0.532 266 V N 0.223 120.246 119.914 0.181 0.000 2.888 266 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 266 V C -1.683 174.503 176.094 0.153 0.000 1.114 266 V CA -0.819 61.560 62.300 0.132 0.000 0.940 266 V CB 2.125 34.079 31.823 0.219 0.000 1.021 266 V HN 1.077 nan 8.190 nan 0.000 0.426 267 K N 4.680 125.104 120.400 0.040 0.000 2.469 267 K HA 0.590 4.909 4.320 -0.000 0.000 0.254 267 K C -1.949 174.593 176.600 -0.097 0.000 0.939 267 K CA -0.468 55.818 56.287 -0.001 0.000 0.812 267 K CB 2.780 35.286 32.500 0.011 0.000 1.301 267 K HN 0.545 nan 8.250 nan 0.000 0.433 268 F N 2.435 122.103 119.950 -0.470 0.000 2.520 268 F HA 0.581 5.108 4.527 -0.000 0.000 0.322 268 F C -1.406 173.864 175.800 -0.884 0.000 1.103 268 F CA -0.668 57.040 58.000 -0.487 0.000 0.926 268 F CB 0.878 39.725 39.000 -0.255 0.000 1.154 268 F HN 0.383 nan 8.300 nan 0.000 0.453 269 F N 3.912 123.199 119.950 -1.105 0.000 2.588 269 F HA 0.725 5.252 4.527 -0.000 0.000 0.310 269 F C -1.022 174.144 175.800 -1.056 0.000 1.082 269 F CA -1.163 56.250 58.000 -0.977 0.000 0.929 269 F CB 2.146 40.425 39.000 -1.201 0.000 1.254 269 F HN 0.093 nan 8.300 nan 0.000 0.455 270 V N 2.833 122.529 119.914 -0.364 0.000 2.588 270 V HA 0.596 4.716 4.120 -0.000 0.000 0.304 270 V C -1.075 175.114 176.094 0.158 0.000 1.042 270 V CA -0.892 61.291 62.300 -0.195 0.000 0.877 270 V CB 1.902 33.444 31.823 -0.469 0.000 0.996 270 V HN 0.600 nan 8.190 nan 0.000 0.425 271 V N 4.355 124.426 119.914 0.262 0.000 2.555 271 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 271 V C 0.057 176.384 176.094 0.387 0.000 1.038 271 V CA -0.551 61.932 62.300 0.305 0.000 0.887 271 V CB 1.713 33.655 31.823 0.199 0.000 0.991 271 V HN 1.005 nan 8.190 nan 0.000 0.434 272 N N 3.604 122.499 118.700 0.325 0.000 2.399 272 N HA 0.102 4.842 4.740 -0.000 0.000 0.259 272 N C 1.188 176.667 175.510 -0.053 0.000 1.160 272 N CA 0.426 53.495 53.050 0.031 0.000 0.946 272 N CB 0.907 39.412 38.487 0.030 0.000 1.156 272 N HN 0.918 nan 8.380 nan 0.000 0.489 273 T N -0.380 114.125 114.554 -0.082 0.000 3.160 273 T HA 0.023 4.373 4.350 -0.000 0.000 0.257 273 T C 0.431 175.068 174.700 -0.105 0.000 1.147 273 T CA 0.430 62.504 62.100 -0.044 0.000 1.064 273 T CB 0.143 69.090 68.868 0.133 0.000 0.949 273 T HN 0.393 nan 8.240 nan 0.000 0.526 274 D N 0.836 121.146 120.400 -0.150 0.000 2.379 274 D HA 0.188 4.828 4.640 -0.000 0.000 0.208 274 D C 1.555 177.793 176.300 -0.103 0.000 1.065 274 D CA 0.172 54.095 54.000 -0.128 0.000 0.848 274 D CB 0.290 41.001 40.800 -0.148 0.000 0.949 274 D HN 0.367 nan 8.370 nan 0.000 0.509 275 S N 0.298 115.940 115.700 -0.097 0.000 2.558 275 S HA 0.064 4.534 4.470 -0.000 0.000 0.217 275 S C 0.671 175.219 174.600 -0.086 0.000 0.975 275 S CA -0.300 57.868 58.200 -0.053 0.000 0.912 275 S CB 0.430 63.630 63.200 -0.001 0.000 0.776 275 S HN 0.105 nan 8.310 nan 0.000 0.526 276 L N 3.167 124.266 121.223 -0.208 0.000 2.534 276 L HA 0.118 4.458 4.340 -0.000 0.000 0.271 276 L C 1.367 178.093 176.870 -0.240 0.000 1.178 276 L CA 0.489 55.075 54.840 -0.422 0.000 0.907 276 L CB 0.091 41.509 42.059 -1.068 0.000 1.164 276 L HN 0.249 nan 8.230 nan 0.000 0.482 277 S N 0.297 116.020 115.700 0.039 0.000 2.807 277 S HA 0.020 4.490 4.470 -0.000 0.000 0.247 277 S C 1.034 175.871 174.600 0.395 0.000 1.078 277 S CA 0.493 58.817 58.200 0.206 0.000 0.867 277 S CB 0.220 63.490 63.200 0.117 0.000 0.797 277 S HN 0.799 nan 8.310 nan 0.000 0.515 278 S N 0.174 116.115 115.700 0.401 0.000 2.929 278 S HA -0.245 4.225 4.470 -0.000 0.000 0.271 278 S C 1.060 175.745 174.600 0.141 0.000 1.295 278 S CA 0.854 59.205 58.200 0.252 0.000 1.277 278 S CB -2.377 60.877 63.200 0.090 0.000 1.557 278 S HN 0.629 nan 8.310 nan 0.000 0.666 279 V N 2.310 122.301 119.914 0.130 0.000 2.244 279 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 279 V C 1.902 178.048 176.094 0.086 0.000 1.042 279 V CA 2.130 64.482 62.300 0.088 0.000 1.006 279 V CB -1.119 30.749 31.823 0.074 0.000 0.641 279 V HN 0.917 nan 8.190 nan 0.000 0.446 280 T N -0.315 114.298 114.554 0.099 0.000 2.847 280 T HA 0.298 4.648 4.350 -0.000 0.000 0.279 280 T C -0.118 174.654 174.700 0.120 0.000 0.984 280 T CA -0.672 61.481 62.100 0.088 0.000 0.988 280 T CB 0.558 69.473 68.868 0.077 0.000 1.040 280 T HN 0.193 nan 8.240 nan 0.000 0.528 281 N N 0.364 119.124 118.700 0.101 0.000 2.424 281 N HA 0.504 5.244 4.740 -0.000 0.000 0.257 281 N C -0.023 175.568 175.510 0.136 0.000 1.250 281 N CA -0.377 52.755 53.050 0.138 0.000 0.946 281 N CB 0.172 38.710 38.487 0.085 0.000 1.175 281 N HN 0.898 nan 8.380 nan 0.000 0.477 282 A N 0.180 123.096 122.820 0.159 0.000 2.445 282 A HA 0.344 4.664 4.320 -0.000 0.000 0.242 282 A C -0.138 177.509 177.584 0.106 0.000 1.075 282 A CA -0.009 52.094 52.037 0.109 0.000 0.777 282 A CB -0.195 18.854 19.000 0.081 0.000 1.013 282 A HN 0.578 nan 8.150 nan 0.000 0.493 283 T N 1.965 116.584 114.554 0.109 0.000 2.767 283 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 283 T C -0.068 174.728 174.700 0.159 0.000 0.973 283 T CA -0.298 61.879 62.100 0.129 0.000 0.996 283 T CB 1.112 70.066 68.868 0.143 0.000 0.927 283 T HN 0.466 nan 8.240 nan 0.000 0.456 284 S N 3.223 119.013 115.700 0.150 0.000 2.433 284 S HA 0.465 4.935 4.470 -0.000 0.000 0.310 284 S C -0.103 174.665 174.600 0.280 0.000 1.097 284 S CA -0.806 57.505 58.200 0.186 0.000 1.103 284 S CB 0.309 63.530 63.200 0.035 0.000 0.992 284 S HN 0.495 nan 8.310 nan 0.000 0.469 285 I N 3.480 124.221 120.570 0.285 0.000 2.304 285 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 285 I C 0.538 176.749 176.117 0.157 0.000 1.018 285 I CA -0.299 61.165 61.300 0.273 0.000 1.260 285 I CB 0.966 39.203 38.000 0.395 0.000 1.390 285 I HN 0.659 nan 8.210 nan 0.000 0.475 286 Q N 6.579 126.436 119.800 0.096 0.000 2.295 286 Q HA 0.404 4.744 4.340 -0.000 0.000 0.259 286 Q C -0.843 175.078 176.000 -0.131 0.000 0.976 286 Q CA -0.352 55.303 55.803 -0.247 0.000 0.923 286 Q CB 0.857 29.418 28.738 -0.295 0.000 1.185 286 Q HN 0.535 nan 8.270 nan 0.000 0.410 287 I N 4.501 124.985 120.570 -0.144 0.000 2.304 287 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 287 I C 0.729 176.829 176.117 -0.028 0.000 1.018 287 I CA -0.378 60.910 61.300 -0.019 0.000 1.260 287 I CB 1.193 39.221 38.000 0.047 0.000 1.390 287 I HN 0.698 nan 8.210 nan 0.000 0.475 288 T N 3.184 117.685 114.554 -0.088 0.000 2.864 288 T HA 0.880 5.230 4.350 -0.000 0.000 0.276 288 T C 0.455 174.938 174.700 -0.361 0.000 1.006 288 T CA 0.131 62.119 62.100 -0.187 0.000 0.970 288 T CB 1.571 70.335 68.868 -0.172 0.000 1.420 288 T HN 1.073 nan 8.240 nan 0.000 0.601 289 A N 0.444 122.945 122.820 -0.532 0.000 6.086 289 A HA 0.025 4.345 4.320 -0.000 0.000 0.252 289 A C -2.557 174.401 177.584 -1.043 0.000 2.197 289 A CA -0.050 51.620 52.037 -0.612 0.000 0.706 289 A CB -2.888 15.903 19.000 -0.348 0.000 1.023 289 A HN 0.912 nan 8.150 nan 0.000 0.358 290 P HA 0.409 nan 4.420 nan 0.000 0.271 290 P C 1.003 178.093 177.300 -0.350 0.000 1.233 290 P CA 0.773 63.633 63.100 -0.399 0.000 0.789 290 P CB 0.354 31.891 31.700 -0.271 0.000 0.951 291 A N 1.512 124.199 122.820 -0.222 0.000 2.019 291 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 291 A C 2.008 179.502 177.584 -0.150 0.000 1.164 291 A CA 2.175 54.108 52.037 -0.174 0.000 0.644 291 A CB -1.685 17.245 19.000 -0.117 0.000 0.805 291 A HN 0.614 nan 8.150 nan 0.000 0.449 292 S N -2.140 113.490 115.700 -0.117 0.000 2.515 292 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 292 S C 1.609 176.173 174.600 -0.061 0.000 0.987 292 S CA 1.404 59.572 58.200 -0.054 0.000 0.936 292 S CB -0.155 63.076 63.200 0.052 0.000 0.766 292 S HN 0.341 nan 8.310 nan 0.000 0.528 293 M N 1.256 120.745 119.600 -0.185 0.000 2.556 293 M HA 0.476 4.956 4.480 -0.000 0.000 0.264 293 M C 1.615 177.679 176.300 -0.393 0.000 1.163 293 M CA 0.924 56.053 55.300 -0.285 0.000 1.186 293 M CB -0.580 31.717 32.600 -0.505 0.000 1.321 293 M HN 0.242 nan 8.290 nan 0.000 0.485 294 L N 0.540 121.507 121.223 -0.426 0.000 2.450 294 L HA -0.157 4.183 4.340 -0.000 0.000 0.224 294 L C 2.025 178.838 176.870 -0.094 0.000 1.149 294 L CA 0.658 55.336 54.840 -0.270 0.000 0.816 294 L CB -1.009 40.906 42.059 -0.241 0.000 0.932 294 L HN 0.408 nan 8.230 nan 0.000 0.449 295 I N -2.761 117.757 120.570 -0.086 0.000 2.394 295 I HA 0.046 4.216 4.170 -0.000 0.000 0.251 295 I C 1.295 177.404 176.117 -0.013 0.000 1.136 295 I CA 1.013 62.285 61.300 -0.048 0.000 1.425 295 I CB -0.556 37.409 38.000 -0.057 0.000 1.079 295 I HN 0.074 nan 8.210 nan 0.000 0.425 296 G N -0.026 108.786 108.800 0.020 0.000 3.166 296 G HA2 0.350 4.310 3.960 -0.000 0.000 0.267 296 G HA3 0.350 4.310 3.960 -0.000 0.000 0.267 296 G C -1.674 173.289 174.900 0.106 0.000 1.256 296 G CA -0.509 44.614 45.100 0.039 0.000 0.859 296 G HN 0.044 nan 8.290 nan 0.000 0.590 297 D N 1.101 121.510 120.400 0.015 0.000 2.382 297 D HA 0.433 5.073 4.640 -0.000 0.000 0.245 297 D C 0.243 176.481 176.300 -0.103 0.000 1.120 297 D CA 0.593 54.531 54.000 -0.102 0.000 0.890 297 D CB 0.609 41.313 40.800 -0.160 0.000 1.201 297 D HN 0.539 nan 8.370 nan 0.000 0.433 298 H N -0.914 118.005 119.070 -0.252 0.000 2.981 298 H HA 0.434 4.990 4.556 -0.000 0.000 0.327 298 H C -1.404 173.775 175.328 -0.249 0.000 1.342 298 H CA -0.824 55.101 56.048 -0.206 0.000 1.123 298 H CB 0.318 30.093 29.762 0.022 0.000 1.851 298 H HN 0.333 nan 8.280 nan 0.000 0.531 299 Y N -0.023 120.506 120.300 0.381 0.000 2.576 299 Y HA 0.405 4.955 4.550 -0.000 0.000 0.346 299 Y C -0.355 175.805 175.900 0.433 0.000 1.018 299 Y CA -1.249 57.082 58.100 0.386 0.000 1.050 299 Y CB 1.896 40.425 38.460 0.115 0.000 1.280 299 Y HN 0.436 nan 8.280 nan 0.000 0.474 300 L N 2.753 124.293 121.223 0.528 0.000 2.278 300 L HA 0.326 4.666 4.340 -0.000 0.000 0.287 300 L C 0.430 177.307 176.870 0.012 0.000 1.072 300 L CA -0.252 54.571 54.840 -0.028 0.000 0.819 300 L CB 0.184 42.137 42.059 -0.176 0.000 1.176 300 L HN 1.012 nan 8.230 nan 0.000 0.435 301 C N 1.263 120.443 119.300 -0.200 0.000 3.065 301 C HA 0.484 4.944 4.460 -0.000 0.000 0.285 301 C C 0.318 175.114 174.990 -0.323 0.000 1.257 301 C CA -0.446 58.368 59.018 -0.341 0.000 1.691 301 C CB -0.578 27.034 27.740 -0.212 0.000 2.089 301 C HN 0.830 nan 8.230 nan 0.000 0.630 302 D N 0.258 120.509 120.400 -0.248 0.000 2.836 302 D HA 0.351 4.991 4.640 -0.000 0.000 0.215 302 D C -1.696 174.324 176.300 -0.466 0.000 1.255 302 D CA 0.095 53.977 54.000 -0.196 0.000 0.822 302 D CB 2.668 43.343 40.800 -0.208 0.000 1.656 302 D HN 0.225 nan 8.370 nan 0.000 0.511 303 V N 1.913 121.455 119.914 -0.621 0.000 2.531 303 V HA 0.792 4.911 4.120 -0.000 0.000 0.301 303 V C -1.364 174.303 176.094 -0.711 0.000 1.034 303 V CA 0.079 61.812 62.300 -0.946 0.000 0.865 303 V CB 1.749 32.667 31.823 -1.510 0.000 0.995 303 V HN 0.577 nan 8.190 nan 0.000 0.424 304 T N 6.240 120.473 114.554 -0.534 0.000 2.879 304 T HA 0.429 4.779 4.350 -0.000 0.000 0.290 304 T C -0.982 173.537 174.700 -0.301 0.000 0.993 304 T CA -0.111 61.827 62.100 -0.270 0.000 0.975 304 T CB 1.081 69.890 68.868 -0.099 0.000 0.981 304 T HN 0.785 nan 8.240 nan 0.000 0.439 305 W N 2.274 123.521 121.300 -0.089 0.000 2.303 305 W HA 0.458 5.118 4.660 -0.000 0.000 0.318 305 W C 1.095 177.478 176.519 -0.226 0.000 1.362 305 W CA -0.440 56.845 57.345 -0.099 0.000 1.234 305 W CB 0.598 30.086 29.460 0.048 0.000 1.248 305 W HN 0.899 nan 8.180 nan 0.000 0.546 306 A N 2.309 125.024 122.820 -0.175 0.000 1.884 306 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 306 A C 1.185 178.714 177.584 -0.091 0.000 1.265 306 A CA 1.555 53.223 52.037 -0.615 0.000 0.626 306 A CB -0.654 17.585 19.000 -1.267 0.000 0.943 306 A HN 0.526 nan 8.150 nan 0.000 0.466 307 T N -4.903 109.689 114.554 0.063 0.000 2.644 307 T HA 0.347 4.697 4.350 -0.000 0.000 0.253 307 T C 0.628 175.443 174.700 0.193 0.000 0.910 307 T CA -0.195 61.985 62.100 0.133 0.000 1.066 307 T CB 0.489 69.428 68.868 0.118 0.000 1.484 307 T HN 0.075 nan 8.240 nan 0.000 0.560 308 Q N 0.333 120.224 119.800 0.152 0.000 2.311 308 Q HA 0.133 4.473 4.340 -0.000 0.000 0.203 308 Q C 0.884 177.046 176.000 0.271 0.000 0.954 308 Q CA 1.171 57.054 55.803 0.133 0.000 0.885 308 Q CB 0.086 28.884 28.738 0.100 0.000 0.963 308 Q HN 0.794 nan 8.270 nan 0.000 0.471 309 E N -0.073 120.308 120.200 0.301 0.000 2.812 309 E HA 0.209 4.559 4.350 -0.000 0.000 0.211 309 E C -0.208 176.627 176.600 0.392 0.000 0.986 309 E CA -0.150 56.442 56.400 0.321 0.000 1.119 309 E CB 1.183 31.006 29.700 0.206 0.000 1.046 309 E HN -0.055 nan 8.360 nan 0.000 0.474 310 R N 1.640 122.418 120.500 0.462 0.000 2.575 310 R HA 0.564 4.904 4.340 -0.000 0.000 0.293 310 R C -1.703 174.721 176.300 0.207 0.000 0.983 310 R CA -0.537 55.750 56.100 0.311 0.000 0.887 310 R CB 1.533 31.889 30.300 0.093 0.000 1.184 310 R HN 0.095 nan 8.270 nan 0.000 0.445 311 I N 2.808 123.336 120.570 -0.070 0.000 2.533 311 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 311 I C -0.956 174.888 176.117 -0.456 0.000 1.056 311 I CA -0.381 60.579 61.300 -0.567 0.000 1.057 311 I CB 2.181 39.409 38.000 -1.286 0.000 1.240 311 I HN 0.761 nan 8.210 nan 0.000 0.423 312 S N 7.566 122.972 115.700 -0.490 0.000 2.475 312 S HA 0.774 5.244 4.470 -0.000 0.000 0.298 312 S C -1.043 173.250 174.600 -0.512 0.000 1.119 312 S CA -0.736 57.246 58.200 -0.363 0.000 1.085 312 S CB 1.800 64.899 63.200 -0.169 0.000 1.028 312 S HN 0.434 nan 8.310 nan 0.000 0.489 313 L N 2.246 123.183 121.223 -0.476 0.000 2.385 313 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 313 L C -0.266 176.310 176.870 -0.489 0.000 0.990 313 L CA -0.295 54.146 54.840 -0.664 0.000 0.821 313 L CB 1.715 43.326 42.059 -0.747 0.000 1.279 313 L HN 0.835 nan 8.230 nan 0.000 0.412 314 Q N 2.462 121.940 119.800 -0.538 0.000 2.325 314 Q HA 0.407 4.746 4.340 -0.000 0.000 0.262 314 Q C -1.499 174.261 176.000 -0.401 0.000 0.968 314 Q CA -0.376 55.223 55.803 -0.341 0.000 0.877 314 Q CB 1.731 30.319 28.738 -0.249 0.000 1.253 314 Q HN 0.475 nan 8.270 nan 0.000 0.448 315 W N 2.765 123.998 121.300 -0.111 0.000 2.570 315 W HA 0.604 5.264 4.660 -0.000 0.000 0.337 315 W C -0.766 175.762 176.519 0.014 0.000 1.067 315 W CA -0.691 56.638 57.345 -0.027 0.000 1.229 315 W CB 1.075 30.499 29.460 -0.060 0.000 1.355 315 W HN 0.397 nan 8.180 nan 0.000 0.555 316 L N 2.774 124.217 121.223 0.365 0.000 2.436 316 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 316 L C -0.204 176.877 176.870 0.351 0.000 0.974 316 L CA -1.097 53.916 54.840 0.288 0.000 0.826 316 L CB 1.321 43.513 42.059 0.222 0.000 1.291 316 L HN 0.393 nan 8.230 nan 0.000 0.406 317 R N 2.931 123.603 120.500 0.286 0.000 2.679 317 R HA 0.181 4.521 4.340 -0.000 0.000 0.268 317 R C 1.102 177.523 176.300 0.203 0.000 1.044 317 R CA -0.100 56.135 56.100 0.225 0.000 1.105 317 R CB 0.539 30.964 30.300 0.208 0.000 0.989 317 R HN 0.690 nan 8.270 nan 0.000 0.447 318 R N 1.500 122.038 120.500 0.064 0.000 2.119 318 R HA -0.128 4.212 4.340 -0.000 0.000 0.246 318 R C 0.494 176.886 176.300 0.154 0.000 1.146 318 R CA 1.248 57.393 56.100 0.075 0.000 0.962 318 R CB 0.057 30.319 30.300 -0.064 0.000 0.863 318 R HN 0.402 nan 8.270 nan 0.000 0.442 319 I N 2.668 123.297 120.570 0.098 0.000 2.494 319 I HA -0.038 4.132 4.170 -0.000 0.000 0.289 319 I C 0.403 176.588 176.117 0.114 0.000 1.106 319 I CA 0.731 62.081 61.300 0.084 0.000 1.369 319 I CB 0.920 38.952 38.000 0.054 0.000 1.410 319 I HN 0.257 nan 8.210 nan 0.000 0.523 320 Q N 4.434 124.289 119.800 0.092 0.000 2.297 320 Q HA 0.093 4.433 4.340 -0.000 0.000 0.265 320 Q C 0.913 176.982 176.000 0.116 0.000 0.904 320 Q CA -0.136 55.728 55.803 0.103 0.000 0.969 320 Q CB 0.093 28.843 28.738 0.021 0.000 1.115 320 Q HN 0.460 nan 8.270 nan 0.000 0.433 321 N N -0.119 118.657 118.700 0.127 0.000 2.416 321 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 321 N C -0.980 174.646 175.510 0.193 0.000 1.036 321 N CA 0.663 53.788 53.050 0.125 0.000 0.901 321 N CB 0.451 39.004 38.487 0.110 0.000 0.976 321 N HN 0.317 nan 8.380 nan 0.000 0.444 322 Y N 0.249 120.576 120.300 0.044 0.000 2.330 322 Y HA 0.337 4.887 4.550 -0.000 0.000 0.324 322 Y C -1.027 174.912 175.900 0.064 0.000 1.093 322 Y CA -0.953 57.173 58.100 0.044 0.000 1.103 322 Y CB 0.897 39.377 38.460 0.033 0.000 1.183 322 Y HN -0.102 nan 8.280 nan 0.000 0.433 323 S N 4.015 119.571 115.700 -0.240 0.000 2.568 323 S HA 0.921 5.391 4.470 -0.000 0.000 0.293 323 S C -1.772 172.669 174.600 -0.265 0.000 1.089 323 S CA -0.805 57.303 58.200 -0.153 0.000 0.945 323 S CB 2.169 65.339 63.200 -0.051 0.000 1.077 323 S HN 0.423 nan 8.310 nan 0.000 0.485 324 V N 2.655 122.503 119.914 -0.110 0.000 2.569 324 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 324 V C -0.617 175.481 176.094 0.006 0.000 1.044 324 V CA -0.584 61.669 62.300 -0.079 0.000 0.874 324 V CB 1.779 33.570 31.823 -0.053 0.000 1.002 324 V HN 1.044 nan 8.190 nan 0.000 0.424 325 M N 4.227 123.816 119.600 -0.018 0.000 2.108 325 M HA 0.469 4.949 4.480 -0.000 0.000 0.354 325 M C -0.911 175.402 176.300 0.022 0.000 1.229 325 M CA -0.057 55.219 55.300 -0.041 0.000 1.081 325 M CB 0.602 33.139 32.600 -0.105 0.000 1.606 325 M HN 0.570 nan 8.290 nan 0.000 0.467 326 D N 5.472 125.882 120.400 0.017 0.000 2.163 326 D HA 0.503 5.143 4.640 -0.000 0.000 0.248 326 D C -0.915 175.370 176.300 -0.025 0.000 1.035 326 D CA 0.001 54.014 54.000 0.021 0.000 0.872 326 D CB 1.454 42.292 40.800 0.063 0.000 1.183 326 D HN 0.601 nan 8.370 nan 0.000 0.445 327 I N 2.462 123.044 120.570 0.020 0.000 2.382 327 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 327 I C -0.577 175.560 176.117 0.035 0.000 1.002 327 I CA -0.651 60.661 61.300 0.020 0.000 1.135 327 I CB 1.392 39.463 38.000 0.118 0.000 1.288 327 I HN 0.148 nan 8.210 nan 0.000 0.448 328 c N 4.163 122.779 118.600 0.026 0.000 2.379 328 c HA 0.498 5.068 4.570 -0.000 0.000 0.323 328 c C -0.326 173.936 174.090 0.285 0.000 1.262 328 c CA -0.776 55.636 56.329 0.138 0.000 1.581 328 c CB 1.083 43.663 42.510 0.117 0.000 2.221 328 c HN 0.601 nan 8.230 nan 0.000 0.497 329 D N 0.807 121.350 120.400 0.239 0.000 2.256 329 D HA 0.213 4.853 4.640 -0.000 0.000 0.246 329 D C -0.747 175.509 176.300 -0.074 0.000 1.042 329 D CA -0.200 53.887 54.000 0.144 0.000 0.841 329 D CB 1.579 42.410 40.800 0.053 0.000 1.223 329 D HN 0.622 nan 8.370 nan 0.000 0.470 330 Y N 1.833 121.775 120.300 -0.597 0.000 2.465 330 Y HA 0.072 4.621 4.550 -0.000 0.000 0.331 330 Y C 0.085 175.678 175.900 -0.512 0.000 1.102 330 Y CA -0.023 57.383 58.100 -1.156 0.000 1.358 330 Y CB 0.570 38.184 38.460 -1.411 0.000 1.213 330 Y HN 0.148 nan 8.280 nan 0.000 0.525 331 D N 5.404 125.178 120.400 -1.044 0.000 2.347 331 D HA 0.059 4.699 4.640 -0.000 0.000 0.235 331 D C 0.682 176.434 176.300 -0.914 0.000 1.149 331 D CA -0.006 53.572 54.000 -0.704 0.000 0.850 331 D CB 1.278 41.820 40.800 -0.429 0.000 1.061 331 D HN 0.875 nan 8.370 nan 0.000 0.487 332 E N 1.654 121.544 120.200 -0.517 0.000 2.023 332 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 332 E C 0.535 177.016 176.600 -0.198 0.000 1.003 332 E CA 1.032 57.269 56.400 -0.272 0.000 0.809 332 E CB 0.106 29.763 29.700 -0.072 0.000 0.755 332 E HN 0.199 nan 8.360 nan 0.000 0.449 333 S N -0.406 115.200 115.700 -0.156 0.000 4.069 333 S HA 0.228 4.698 4.470 -0.000 0.000 0.192 333 S C -0.192 174.338 174.600 -0.118 0.000 1.441 333 S CA 0.045 58.184 58.200 -0.100 0.000 0.994 333 S CB 0.018 63.178 63.200 -0.066 0.000 1.456 333 S HN 0.154 nan 8.310 nan 0.000 0.458 334 S N -0.245 115.367 115.700 -0.148 0.000 3.294 334 S HA 0.220 4.690 4.470 -0.000 0.000 0.195 334 S C 1.101 175.637 174.600 -0.106 0.000 0.943 334 S CA 0.134 58.257 58.200 -0.129 0.000 1.266 334 S CB -0.514 62.581 63.200 -0.175 0.000 1.152 334 S HN 0.734 nan 8.310 nan 0.000 0.386 335 G N 1.909 110.580 108.800 -0.215 0.000 2.155 335 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 335 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 335 G C -0.007 174.875 174.900 -0.031 0.000 0.983 335 G CA 0.986 46.049 45.100 -0.061 0.000 0.676 335 G HN 0.435 nan 8.290 nan 0.000 0.528 336 R N -1.532 118.853 120.500 -0.192 0.000 2.608 336 R HA 0.749 5.089 4.340 -0.000 0.000 0.255 336 R C -0.508 175.666 176.300 -0.210 0.000 1.086 336 R CA -0.542 55.527 56.100 -0.051 0.000 1.125 336 R CB 0.446 30.732 30.300 -0.023 0.000 1.193 336 R HN 0.253 nan 8.270 nan 0.000 0.553 337 W N -0.020 121.281 121.300 0.002 0.000 2.587 337 W HA 0.455 5.115 4.660 -0.000 0.000 0.324 337 W C -0.712 175.792 176.519 -0.025 0.000 1.040 337 W CA -0.381 56.964 57.345 0.000 0.000 1.222 337 W CB 1.308 30.780 29.460 0.020 0.000 1.381 337 W HN 0.417 nan 8.180 nan 0.000 0.483 338 N N 1.901 120.690 118.700 0.148 0.000 2.346 338 N HA 0.510 5.250 4.740 -0.000 0.000 0.289 338 N C -1.613 173.946 175.510 0.081 0.000 1.027 338 N CA -0.604 52.492 53.050 0.077 0.000 0.864 338 N CB 1.279 39.771 38.487 0.009 0.000 1.370 338 N HN 0.188 nan 8.380 nan 0.000 0.481 339 c N 2.863 121.496 118.600 0.054 0.000 2.250 339 c HA 0.375 4.945 4.570 -0.000 0.000 0.319 339 c C 0.374 174.469 174.090 0.009 0.000 1.124 339 c CA -1.107 55.244 56.329 0.036 0.000 1.527 339 c CB -1.464 41.059 42.510 0.021 0.000 2.001 339 c HN 0.615 nan 8.230 nan 0.000 0.435 340 L N 3.034 124.264 121.223 0.012 0.000 2.534 340 L HA 0.122 4.462 4.340 -0.000 0.000 0.271 340 L C 0.755 177.615 176.870 -0.017 0.000 1.178 340 L CA 0.340 55.178 54.840 -0.004 0.000 0.907 340 L CB 0.290 42.350 42.059 0.002 0.000 1.164 340 L HN 0.553 nan 8.230 nan 0.000 0.482 341 V N 5.754 125.650 119.914 -0.030 0.000 2.872 341 V HA 0.268 4.388 4.120 -0.000 0.000 0.307 341 V C 1.175 177.243 176.094 -0.044 0.000 1.072 341 V CA 0.622 62.897 62.300 -0.042 0.000 1.148 341 V CB 0.864 32.661 31.823 -0.043 0.000 0.954 341 V HN 1.111 nan 8.190 nan 0.000 0.490 342 A N 4.110 126.893 122.820 -0.062 0.000 3.080 342 A HA -0.220 4.099 4.320 -0.000 0.000 0.254 342 A C 1.498 179.033 177.584 -0.083 0.000 1.277 342 A CA 1.535 53.529 52.037 -0.072 0.000 1.065 342 A CB -1.922 17.051 19.000 -0.046 0.000 1.160 342 A HN 1.180 nan 8.150 nan 0.000 0.886 343 R N -0.222 120.230 120.500 -0.082 0.000 2.531 343 R HA 0.159 4.499 4.340 -0.000 0.000 0.316 343 R C 0.567 176.800 176.300 -0.111 0.000 0.955 343 R CA 0.661 56.723 56.100 -0.063 0.000 1.120 343 R CB 0.168 30.483 30.300 0.025 0.000 1.361 343 R HN 0.856 nan 8.270 nan 0.000 0.534 344 Q N 0.041 119.747 119.800 -0.157 0.000 2.230 344 Q HA 0.204 4.544 4.340 -0.000 0.000 0.248 344 Q C -1.301 174.530 176.000 -0.281 0.000 0.915 344 Q CA -0.399 55.334 55.803 -0.117 0.000 0.900 344 Q CB 1.306 30.009 28.738 -0.058 0.000 1.229 344 Q HN 0.189 nan 8.270 nan 0.000 0.439 345 H N 1.486 120.559 119.070 0.005 0.000 2.646 345 H HA 0.427 4.983 4.556 -0.000 0.000 0.328 345 H C -0.800 174.506 175.328 -0.037 0.000 0.998 345 H CA -0.499 55.563 56.048 0.024 0.000 1.225 345 H CB 1.171 30.964 29.762 0.052 0.000 1.457 345 H HN 0.545 nan 8.280 nan 0.000 0.505 346 I N 2.272 122.865 120.570 0.039 0.000 2.472 346 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 346 I C 0.263 176.362 176.117 -0.030 0.000 1.016 346 I CA 0.052 61.298 61.300 -0.091 0.000 1.348 346 I CB 1.001 38.929 38.000 -0.120 0.000 1.417 346 I HN 0.586 nan 8.210 nan 0.000 0.521 347 E N 8.007 128.141 120.200 -0.110 0.000 2.263 347 E HA 0.579 4.929 4.350 -0.000 0.000 0.268 347 E C -1.275 175.285 176.600 -0.066 0.000 0.884 347 E CA -0.746 55.635 56.400 -0.033 0.000 0.766 347 E CB 1.616 31.320 29.700 0.005 0.000 1.196 347 E HN 0.643 nan 8.360 nan 0.000 0.416 348 M N 1.269 120.872 119.600 0.004 0.000 2.667 348 M HA 0.644 5.124 4.480 -0.000 0.000 0.286 348 M C -1.435 174.889 176.300 0.040 0.000 1.270 348 M CA -0.869 54.462 55.300 0.052 0.000 0.826 348 M CB 2.382 35.073 32.600 0.152 0.000 1.743 348 M HN 0.270 nan 8.290 nan 0.000 0.460 349 S N -0.186 115.532 115.700 0.031 0.000 2.614 349 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 349 S C 0.354 174.937 174.600 -0.029 0.000 1.137 349 S CA -0.018 58.168 58.200 -0.024 0.000 0.992 349 S CB 1.672 64.808 63.200 -0.108 0.000 1.026 349 S HN 0.903 nan 8.310 nan 0.000 0.486 350 T N 0.283 114.823 114.554 -0.025 0.000 3.035 350 T HA -0.027 4.323 4.350 -0.000 0.000 0.259 350 T C 1.813 176.483 174.700 -0.050 0.000 1.078 350 T CA 1.250 63.337 62.100 -0.023 0.000 1.132 350 T CB -0.626 68.238 68.868 -0.006 0.000 0.900 350 T HN 0.674 nan 8.240 nan 0.000 0.480 351 T N -1.528 112.982 114.554 -0.073 0.000 3.054 351 T HA 0.535 4.885 4.350 -0.000 0.000 0.259 351 T C 1.206 175.734 174.700 -0.287 0.000 1.092 351 T CA 0.535 62.586 62.100 -0.082 0.000 1.121 351 T CB -0.021 68.870 68.868 0.037 0.000 0.912 351 T HN 0.645 nan 8.240 nan 0.000 0.489 352 G N 0.196 108.668 108.800 -0.546 0.000 2.791 352 G HA2 0.472 4.432 3.960 -0.000 0.000 0.158 352 G HA3 0.472 4.432 3.960 -0.000 0.000 0.158 352 G C -1.551 173.102 174.900 -0.410 0.000 1.193 352 G CA -0.536 44.099 45.100 -0.774 0.000 1.032 352 G HN 0.528 nan 8.290 nan 0.000 0.557 353 W N 0.018 121.058 121.300 -0.433 0.000 2.353 353 W HA 0.767 5.427 4.660 -0.000 0.000 0.377 353 W C -0.477 175.974 176.519 -0.113 0.000 1.375 353 W CA -1.301 55.910 57.345 -0.223 0.000 1.503 353 W CB 0.720 30.026 29.460 -0.257 0.000 1.345 353 W HN 0.268 nan 8.180 nan 0.000 0.683 354 V N 3.027 123.020 119.914 0.131 0.000 2.407 354 V HA 0.700 4.820 4.120 -0.000 0.000 0.278 354 V C 0.788 176.967 176.094 0.141 0.000 1.037 354 V CA 0.319 62.657 62.300 0.063 0.000 0.900 354 V CB 0.046 31.902 31.823 0.056 0.000 0.983 354 V HN 1.304 nan 8.190 nan 0.000 0.459 355 G N 5.224 114.067 108.800 0.072 0.000 2.828 355 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.463 355 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.463 355 G C 0.355 175.364 174.900 0.181 0.000 1.394 355 G CA 0.274 45.440 45.100 0.111 0.000 0.862 355 G HN 0.665 nan 8.290 nan 0.000 0.540 356 R N -0.922 119.675 120.500 0.161 0.000 2.062 356 R HA 0.177 4.517 4.340 -0.000 0.000 0.229 356 R C 2.047 178.339 176.300 -0.014 0.000 1.128 356 R CA 2.129 58.288 56.100 0.098 0.000 0.960 356 R CB -0.068 30.273 30.300 0.068 0.000 0.855 356 R HN 0.474 nan 8.270 nan 0.000 0.432 357 F N -0.903 119.175 119.950 0.213 0.000 2.729 357 F HA 0.246 4.773 4.527 -0.000 0.000 0.304 357 F C 0.197 176.008 175.800 0.020 0.000 1.008 357 F CA -0.459 57.604 58.000 0.105 0.000 1.188 357 F CB 0.734 39.797 39.000 0.105 0.000 0.980 357 F HN -0.159 nan 8.300 nan 0.000 0.627 358 R N -0.322 120.308 120.500 0.217 0.000 2.663 358 R HA 0.458 4.797 4.340 -0.000 0.000 0.267 358 R C -3.236 173.113 176.300 0.081 0.000 1.038 358 R CA -2.072 54.074 56.100 0.077 0.000 0.886 358 R CB 0.393 30.686 30.300 -0.012 0.000 1.249 358 R HN -0.348 nan 8.270 nan 0.000 0.463 359 P HA -0.049 nan 4.420 nan 0.000 0.264 359 P C -0.272 177.036 177.300 0.013 0.000 1.183 359 P CA 0.066 63.180 63.100 0.023 0.000 0.763 359 P CB 0.731 32.421 31.700 -0.017 0.000 0.807 360 S N 1.157 116.880 115.700 0.038 0.000 2.600 360 S HA 0.129 4.599 4.470 -0.000 0.000 0.265 360 S C 0.178 174.777 174.600 -0.001 0.000 1.325 360 S CA -0.806 57.428 58.200 0.057 0.000 1.002 360 S CB 0.464 63.728 63.200 0.106 0.000 0.921 360 S HN 0.567 nan 8.310 nan 0.000 0.554 361 E N 2.104 122.312 120.200 0.014 0.000 2.376 361 E HA 0.231 4.581 4.350 -0.000 0.000 0.266 361 E C -2.250 174.273 176.600 -0.129 0.000 1.009 361 E CA -1.687 54.665 56.400 -0.081 0.000 0.902 361 E CB 0.314 29.969 29.700 -0.075 0.000 0.972 361 E HN 0.431 nan 8.360 nan 0.000 0.439 362 P HA 0.112 nan 4.420 nan 0.000 0.277 362 P C -1.143 175.974 177.300 -0.304 0.000 1.240 362 P CA -0.140 62.755 63.100 -0.341 0.000 0.798 362 P CB 0.732 31.903 31.700 -0.882 0.000 0.979 363 H N 1.767 120.831 119.070 -0.011 0.000 2.887 363 H HA 0.291 4.847 4.556 -0.000 0.000 0.300 363 H C -0.372 175.071 175.328 0.192 0.000 1.038 363 H CA -0.330 55.817 56.048 0.165 0.000 1.352 363 H CB 0.236 30.138 29.762 0.232 0.000 1.473 363 H HN 0.302 nan 8.280 nan 0.000 0.503 364 F N 2.032 122.158 119.950 0.294 0.000 2.399 364 F HA 0.061 4.588 4.527 -0.000 0.000 0.342 364 F C 1.549 177.533 175.800 0.306 0.000 1.106 364 F CA -0.426 57.745 58.000 0.286 0.000 1.196 364 F CB 0.975 40.083 39.000 0.181 0.000 1.163 364 F HN 0.345 nan 8.300 nan 0.000 0.547 365 T N 1.052 115.888 114.554 0.469 0.000 2.898 365 T HA 0.098 4.448 4.350 -0.000 0.000 0.301 365 T C 1.181 176.073 174.700 0.320 0.000 1.049 365 T CA -0.837 61.489 62.100 0.377 0.000 1.095 365 T CB 0.841 69.911 68.868 0.336 0.000 0.976 365 T HN 0.611 nan 8.240 nan 0.000 0.539 366 L N 1.470 122.841 121.223 0.246 0.000 2.085 366 L HA -0.209 4.131 4.340 -0.000 0.000 0.218 366 L C 2.188 179.166 176.870 0.179 0.000 1.080 366 L CA 2.589 57.546 54.840 0.194 0.000 0.776 366 L CB -0.977 41.173 42.059 0.152 0.000 0.891 366 L HN 0.966 nan 8.230 nan 0.000 0.437 367 D N -1.370 119.138 120.400 0.180 0.000 2.347 367 D HA 0.011 4.651 4.640 -0.000 0.000 0.215 367 D C 1.627 178.031 176.300 0.172 0.000 0.976 367 D CA 0.846 54.939 54.000 0.156 0.000 0.884 367 D CB -0.619 40.264 40.800 0.140 0.000 0.915 367 D HN 0.477 nan 8.370 nan 0.000 0.526 368 G N 0.688 109.629 108.800 0.236 0.000 2.198 368 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 368 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 368 G C 0.566 175.654 174.900 0.313 0.000 1.025 368 G CA 0.485 45.748 45.100 0.271 0.000 0.769 368 G HN 0.519 nan 8.290 nan 0.000 0.507 369 N N -0.553 118.312 118.700 0.274 0.000 2.220 369 N HA 0.317 5.057 4.740 -0.000 0.000 0.195 369 N C 0.653 176.262 175.510 0.165 0.000 1.123 369 N CA 0.499 53.674 53.050 0.209 0.000 0.874 369 N CB 0.482 39.053 38.487 0.140 0.000 0.995 369 N HN 0.599 nan 8.380 nan 0.000 0.498 370 S N -0.154 115.655 115.700 0.183 0.000 2.607 370 S HA 0.714 5.184 4.470 -0.000 0.000 0.273 370 S C -1.109 173.468 174.600 -0.039 0.000 1.148 370 S CA -1.009 57.143 58.200 -0.080 0.000 0.833 370 S CB 1.492 64.603 63.200 -0.149 0.000 1.130 370 S HN 0.165 nan 8.310 nan 0.000 0.470 371 F N -1.750 117.931 119.950 -0.448 0.000 2.662 371 F HA 0.826 5.353 4.527 -0.000 0.000 0.312 371 F C -2.139 173.394 175.800 -0.446 0.000 1.113 371 F CA -1.616 56.060 58.000 -0.539 0.000 0.951 371 F CB 0.699 39.023 39.000 -1.126 0.000 1.344 371 F HN 0.589 nan 8.300 nan 0.000 0.462 372 Y N 1.111 121.555 120.300 0.239 0.000 2.352 372 Y HA 0.648 5.198 4.550 -0.000 0.000 0.339 372 Y C -0.625 175.447 175.900 0.286 0.000 0.992 372 Y CA -0.855 57.390 58.100 0.241 0.000 1.100 372 Y CB 2.007 40.575 38.460 0.180 0.000 1.192 372 Y HN 0.631 nan 8.280 nan 0.000 0.458 373 K N 2.060 122.702 120.400 0.404 0.000 2.498 373 K HA 0.614 4.934 4.320 -0.000 0.000 0.254 373 K C -1.457 175.299 176.600 0.260 0.000 0.933 373 K CA -0.797 55.666 56.287 0.294 0.000 0.806 373 K CB 2.027 34.615 32.500 0.147 0.000 1.301 373 K HN 0.531 nan 8.250 nan 0.000 0.432 374 I N 4.200 124.892 120.570 0.204 0.000 2.581 374 I HA 0.101 4.271 4.170 -0.000 0.000 0.285 374 I C 0.301 176.521 176.117 0.171 0.000 1.129 374 I CA -0.012 61.388 61.300 0.166 0.000 1.397 374 I CB -0.356 37.719 38.000 0.126 0.000 1.399 374 I HN 0.634 nan 8.210 nan 0.000 0.537 375 I N 2.221 122.926 120.570 0.225 0.000 3.145 375 I HA 0.516 4.686 4.170 -0.000 0.000 0.313 375 I C -0.200 176.055 176.117 0.230 0.000 1.122 375 I CA -0.808 60.624 61.300 0.219 0.000 0.987 375 I CB 2.138 40.284 38.000 0.243 0.000 1.236 375 I HN 0.278 nan 8.210 nan 0.000 0.453 376 S N 2.281 118.065 115.700 0.141 0.000 2.528 376 S HA 0.278 4.748 4.470 -0.000 0.000 0.277 376 S C 0.101 174.740 174.600 0.066 0.000 1.297 376 S CA -0.317 57.905 58.200 0.036 0.000 1.052 376 S CB -0.342 62.837 63.200 -0.035 0.000 0.917 376 S HN 0.642 nan 8.310 nan 0.000 0.492 377 N N 2.697 121.312 118.700 -0.141 0.000 2.305 377 N HA -0.022 4.718 4.740 -0.000 0.000 0.232 377 N C 1.151 176.588 175.510 -0.121 0.000 1.274 377 N CA 0.029 52.885 53.050 -0.323 0.000 0.870 377 N CB 0.243 38.552 38.487 -0.296 0.000 1.105 377 N HN 0.701 nan 8.380 nan 0.000 0.436 378 E N 0.773 120.907 120.200 -0.110 0.000 2.171 378 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 378 E C 0.807 177.367 176.600 -0.066 0.000 0.997 378 E CA 1.423 57.793 56.400 -0.050 0.000 0.810 378 E CB 0.074 29.750 29.700 -0.039 0.000 0.738 378 E HN 0.597 nan 8.360 nan 0.000 0.467 379 E N -1.903 118.246 120.200 -0.085 0.000 2.479 379 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 379 E C 0.576 177.157 176.600 -0.031 0.000 1.049 379 E CA 0.435 56.821 56.400 -0.024 0.000 0.870 379 E CB 0.172 29.875 29.700 0.006 0.000 0.944 379 E HN 0.393 nan 8.360 nan 0.000 0.492 380 G N 0.632 109.359 108.800 -0.122 0.000 2.175 380 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 380 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 380 G C -0.317 174.322 174.900 -0.435 0.000 0.982 380 G CA 0.125 45.056 45.100 -0.281 0.000 0.641 380 G HN 0.223 nan 8.290 nan 0.000 0.527 381 Y N 0.325 120.496 120.300 -0.215 0.000 2.342 381 Y HA 0.661 5.211 4.550 -0.000 0.000 0.334 381 Y C 1.123 176.853 175.900 -0.283 0.000 1.067 381 Y CA -0.870 57.082 58.100 -0.247 0.000 1.128 381 Y CB 1.050 39.377 38.460 -0.221 0.000 1.200 381 Y HN 0.061 nan 8.280 nan 0.000 0.464 382 R N 3.670 124.026 120.500 -0.240 0.000 2.248 382 R HA 0.276 4.616 4.340 -0.000 0.000 0.328 382 R C -0.909 175.088 176.300 -0.506 0.000 1.067 382 R CA -0.004 55.952 56.100 -0.240 0.000 0.924 382 R CB 0.053 30.271 30.300 -0.137 0.000 1.013 382 R HN 0.655 nan 8.270 nan 0.000 0.454 383 H N 1.931 120.943 119.070 -0.097 0.000 2.980 383 H HA 0.284 4.840 4.556 -0.000 0.000 0.367 383 H C -0.284 175.092 175.328 0.079 0.000 1.206 383 H CA -0.898 55.065 56.048 -0.142 0.000 1.126 383 H CB 1.609 31.166 29.762 -0.342 0.000 1.838 383 H HN 0.338 nan 8.280 nan 0.000 0.552 384 I N 1.475 122.123 120.570 0.130 0.000 2.452 384 I HA 0.010 4.180 4.170 -0.000 0.000 0.287 384 I C 0.528 176.740 176.117 0.160 0.000 1.079 384 I CA 0.262 61.630 61.300 0.113 0.000 1.387 384 I CB 0.192 38.166 38.000 -0.042 0.000 1.404 384 I HN 0.170 nan 8.210 nan 0.000 0.522 385 c N 7.041 125.710 118.600 0.114 0.000 2.391 385 c HA 0.431 5.001 4.570 -0.000 0.000 0.339 385 c C -0.416 173.648 174.090 -0.044 0.000 1.205 385 c CA -0.467 55.748 56.329 -0.190 0.000 1.937 385 c CB 0.891 43.063 42.510 -0.563 0.000 2.341 385 c HN 0.651 nan 8.230 nan 0.000 0.516 386 Y N 4.349 124.398 120.300 -0.418 0.000 2.334 386 Y HA 0.669 5.219 4.550 -0.000 0.000 0.336 386 Y C -1.102 174.412 175.900 -0.642 0.000 0.960 386 Y CA -0.915 56.895 58.100 -0.484 0.000 1.164 386 Y CB 0.245 38.474 38.460 -0.384 0.000 1.155 386 Y HN 0.610 nan 8.280 nan 0.000 0.478 387 F N 3.439 122.608 119.950 -1.302 0.000 2.470 387 F HA 0.517 5.044 4.527 -0.000 0.000 0.329 387 F C -0.193 174.848 175.800 -1.266 0.000 1.072 387 F CA -0.806 56.417 58.000 -1.294 0.000 0.989 387 F CB 1.751 39.587 39.000 -1.940 0.000 1.193 387 F HN 0.340 nan 8.300 nan 0.000 0.481 388 Q N 1.684 121.134 119.800 -0.583 0.000 2.322 388 Q HA 0.386 4.726 4.340 -0.000 0.000 0.265 388 Q C 0.914 176.870 176.000 -0.073 0.000 0.985 388 Q CA -0.318 55.281 55.803 -0.341 0.000 0.849 388 Q CB 1.464 30.061 28.738 -0.235 0.000 1.274 388 Q HN 0.656 nan 8.270 nan 0.000 0.449 389 I N -0.259 120.339 120.570 0.046 0.000 2.399 389 I HA -0.193 3.976 4.170 -0.000 0.000 0.254 389 I C 0.091 176.399 176.117 0.318 0.000 1.146 389 I CA 1.627 63.098 61.300 0.285 0.000 1.412 389 I CB -0.082 38.113 38.000 0.325 0.000 1.076 389 I HN 0.508 nan 8.210 nan 0.000 0.432 390 D N -0.488 120.000 120.400 0.146 0.000 2.696 390 D HA 0.302 4.942 4.640 -0.000 0.000 0.269 390 D C -0.225 176.088 176.300 0.022 0.000 1.319 390 D CA -0.480 53.557 54.000 0.062 0.000 0.826 390 D CB 0.192 41.014 40.800 0.036 0.000 1.086 390 D HN 0.109 nan 8.370 nan 0.000 0.481 391 K N 0.481 120.910 120.400 0.048 0.000 2.244 391 K HA 0.389 4.709 4.320 -0.000 0.000 0.260 391 K C 0.690 177.318 176.600 0.047 0.000 0.951 391 K CA -0.694 55.592 56.287 -0.001 0.000 0.826 391 K CB 1.640 34.102 32.500 -0.064 0.000 1.108 391 K HN -0.188 nan 8.250 nan 0.000 0.433 392 K N 0.336 120.727 120.400 -0.016 0.000 1.991 392 K HA 0.014 4.333 4.320 -0.000 0.000 0.207 392 K C 0.020 176.621 176.600 0.001 0.000 1.045 392 K CA 1.158 57.442 56.287 -0.005 0.000 0.937 392 K CB -0.103 32.374 32.500 -0.038 0.000 0.720 392 K HN 0.516 nan 8.250 nan 0.000 0.438 393 D N 0.806 121.148 120.400 -0.097 0.000 2.362 393 D HA 0.087 4.727 4.640 -0.000 0.000 0.242 393 D C 0.346 176.395 176.300 -0.419 0.000 1.132 393 D CA -0.113 53.765 54.000 -0.204 0.000 0.907 393 D CB 0.950 41.652 40.800 -0.164 0.000 1.195 393 D HN 0.376 nan 8.370 nan 0.000 0.429 394 c N -0.952 117.240 118.600 -0.679 0.000 2.710 394 c HA 0.806 5.376 4.570 -0.000 0.000 0.367 394 c C -0.049 173.622 174.090 -0.699 0.000 1.315 394 c CA -0.586 55.129 56.329 -1.022 0.000 1.764 394 c CB 1.232 42.516 42.510 -2.044 0.000 2.182 394 c HN 0.486 nan 8.230 nan 0.000 0.491 395 T N 1.646 115.832 114.554 -0.614 0.000 2.864 395 T HA 0.462 4.812 4.350 -0.000 0.000 0.299 395 T C -0.777 173.716 174.700 -0.345 0.000 1.011 395 T CA 0.138 62.030 62.100 -0.347 0.000 0.975 395 T CB 0.168 68.975 68.868 -0.103 0.000 0.962 395 T HN 0.460 nan 8.240 nan 0.000 0.448 396 F N 3.502 123.347 119.950 -0.174 0.000 2.578 396 F HA 0.180 4.707 4.527 -0.000 0.000 0.381 396 F C 1.666 177.344 175.800 -0.204 0.000 1.069 396 F CA -0.712 57.181 58.000 -0.178 0.000 1.231 396 F CB 0.232 39.122 39.000 -0.184 0.000 1.086 396 F HN 0.588 nan 8.300 nan 0.000 0.564 397 I N -0.769 119.759 120.570 -0.070 0.000 4.057 397 I HA 0.240 4.410 4.170 -0.000 0.000 0.334 397 I C 0.261 176.282 176.117 -0.161 0.000 1.308 397 I CA 0.056 61.200 61.300 -0.259 0.000 1.125 397 I CB 0.182 37.773 38.000 -0.683 0.000 1.034 397 I HN 0.485 nan 8.210 nan 0.000 0.401 398 T N 0.286 114.759 114.554 -0.136 0.000 2.906 398 T HA 0.806 5.156 4.350 -0.000 0.000 0.295 398 T C -0.706 173.603 174.700 -0.651 0.000 1.075 398 T CA -0.603 61.365 62.100 -0.221 0.000 1.005 398 T CB 2.593 71.391 68.868 -0.116 0.000 1.136 398 T HN 0.462 nan 8.240 nan 0.000 0.498 399 K N -0.413 119.419 120.400 -0.947 0.000 2.642 399 K HA 0.819 5.139 4.320 -0.000 0.000 0.290 399 K C -0.345 175.669 176.600 -0.978 0.000 1.006 399 K CA -0.463 54.961 56.287 -1.438 0.000 0.869 399 K CB 1.022 33.065 32.500 -0.761 0.000 1.499 399 K HN 1.595 nan 8.250 nan 0.000 0.403 400 G N -0.274 107.977 108.800 -0.915 0.000 2.361 400 G HA2 0.199 4.158 3.960 -0.000 0.000 0.331 400 G HA3 0.199 4.158 3.960 -0.000 0.000 0.331 400 G C -1.068 173.351 174.900 -0.802 0.000 1.324 400 G CA -0.407 44.362 45.100 -0.551 0.000 0.984 400 G HN 1.240 nan 8.290 nan 0.000 0.586 401 T N -0.359 113.885 114.554 -0.517 0.000 3.766 401 T HA 0.581 4.931 4.350 -0.000 0.000 0.327 401 T C 0.101 174.634 174.700 -0.278 0.000 1.595 401 T CA 0.481 62.069 62.100 -0.854 0.000 1.204 401 T CB -0.925 67.680 68.868 -0.439 0.000 1.245 401 T HN 1.628 nan 8.240 nan 0.000 0.875 402 W N -0.127 120.975 121.300 -0.330 0.000 2.929 402 W HA 0.523 5.182 4.660 -0.000 0.000 0.363 402 W C -1.766 174.712 176.519 -0.069 0.000 1.168 402 W CA -0.907 56.405 57.345 -0.055 0.000 1.163 402 W CB 0.460 29.882 29.460 -0.064 0.000 1.455 402 W HN 0.252 nan 8.180 nan 0.000 0.568 403 E N 0.937 121.243 120.200 0.177 0.000 2.317 403 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 403 E C -0.980 175.674 176.600 0.090 0.000 0.885 403 E CA -1.209 55.089 56.400 -0.170 0.000 0.760 403 E CB 3.296 32.972 29.700 -0.041 0.000 1.227 403 E HN 0.180 nan 8.360 nan 0.000 0.434 404 V N 3.582 123.430 119.914 -0.110 0.000 2.508 404 V HA -0.024 4.096 4.120 -0.000 0.000 0.281 404 V C 1.284 177.450 176.094 0.120 0.000 1.041 404 V CA 0.031 62.387 62.300 0.093 0.000 1.016 404 V CB 0.388 32.175 31.823 -0.061 0.000 0.984 404 V HN 0.702 nan 8.190 nan 0.000 0.478 405 I N 3.179 123.854 120.570 0.176 0.000 2.339 405 I HA 0.220 4.390 4.170 -0.000 0.000 0.245 405 I C 1.144 177.368 176.117 0.179 0.000 1.096 405 I CA 1.284 62.680 61.300 0.159 0.000 1.408 405 I CB -0.803 37.238 38.000 0.068 0.000 1.092 405 I HN 0.762 nan 8.210 nan 0.000 0.423 406 G N 0.469 109.381 108.800 0.186 0.000 2.703 406 G HA2 0.551 4.511 3.960 -0.000 0.000 0.294 406 G HA3 0.551 4.511 3.960 -0.000 0.000 0.294 406 G C -1.266 173.741 174.900 0.179 0.000 1.451 406 G CA -0.544 44.669 45.100 0.188 0.000 0.869 406 G HN -0.029 nan 8.290 nan 0.000 0.516 407 I N 1.887 122.523 120.570 0.110 0.000 2.312 407 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 407 I C 0.845 176.913 176.117 -0.081 0.000 1.031 407 I CA -0.508 60.755 61.300 -0.063 0.000 1.293 407 I CB 1.565 39.333 38.000 -0.386 0.000 1.403 407 I HN 0.494 nan 8.210 nan 0.000 0.484 408 E N 5.107 125.319 120.200 0.019 0.000 2.216 408 E HA 0.271 4.621 4.350 -0.000 0.000 0.192 408 E C 0.362 176.896 176.600 -0.111 0.000 0.973 408 E CA 0.285 56.731 56.400 0.077 0.000 0.851 408 E CB 0.554 30.396 29.700 0.236 0.000 0.804 408 E HN 0.682 nan 8.360 nan 0.000 0.477 409 A N 0.497 123.161 122.820 -0.259 0.000 2.612 409 A HA 0.605 4.925 4.320 -0.000 0.000 0.293 409 A C -1.946 175.564 177.584 -0.124 0.000 1.075 409 A CA -0.644 51.156 52.037 -0.394 0.000 0.680 409 A CB 1.357 19.584 19.000 -1.288 0.000 1.279 409 A HN 0.043 nan 8.150 nan 0.000 0.411 410 L N 1.642 122.836 121.223 -0.048 0.000 2.504 410 L HA 0.628 4.968 4.340 -0.000 0.000 0.265 410 L C 0.307 177.231 176.870 0.089 0.000 0.975 410 L CA 0.365 55.236 54.840 0.051 0.000 0.864 410 L CB 1.585 43.706 42.059 0.103 0.000 1.212 410 L HN 1.094 nan 8.230 nan 0.000 0.416 411 T N -0.204 114.429 114.554 0.132 0.000 2.849 411 T HA 0.380 4.730 4.350 -0.000 0.000 0.276 411 T C 1.237 176.008 174.700 0.118 0.000 0.971 411 T CA 0.053 62.233 62.100 0.134 0.000 0.949 411 T CB 1.075 70.059 68.868 0.194 0.000 1.093 411 T HN 0.614 nan 8.240 nan 0.000 0.545 412 S N -0.450 115.312 115.700 0.102 0.000 2.428 412 S HA -0.069 4.401 4.470 -0.000 0.000 0.230 412 S C 1.040 175.653 174.600 0.022 0.000 1.014 412 S CA 0.731 58.977 58.200 0.077 0.000 0.957 412 S CB -0.503 62.738 63.200 0.070 0.000 0.784 412 S HN 0.706 nan 8.310 nan 0.000 0.499 413 D N -0.035 120.376 120.400 0.017 0.000 2.201 413 D HA 0.232 4.871 4.640 -0.000 0.000 0.209 413 D C -0.225 175.855 176.300 -0.366 0.000 0.961 413 D CA 0.884 54.797 54.000 -0.145 0.000 0.861 413 D CB 0.036 40.820 40.800 -0.026 0.000 0.997 413 D HN 0.445 nan 8.370 nan 0.000 0.486 414 Y N -0.452 119.805 120.300 -0.071 0.000 2.570 414 Y HA 0.441 4.991 4.550 -0.000 0.000 0.345 414 Y C -0.428 175.311 175.900 -0.268 0.000 1.014 414 Y CA -1.226 56.732 58.100 -0.237 0.000 1.063 414 Y CB 2.122 40.289 38.460 -0.487 0.000 1.272 414 Y HN -0.241 nan 8.280 nan 0.000 0.477 415 L N 3.351 124.465 121.223 -0.181 0.000 2.319 415 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 415 L C -1.885 174.864 176.870 -0.201 0.000 1.005 415 L CA -1.075 53.647 54.840 -0.196 0.000 0.828 415 L CB 0.027 41.892 42.059 -0.323 0.000 1.227 415 L HN 0.586 nan 8.230 nan 0.000 0.415 416 Y N 5.978 126.224 120.300 -0.089 0.000 2.323 416 Y HA 0.567 5.117 4.550 -0.000 0.000 0.331 416 Y C -0.088 175.820 175.900 0.014 0.000 1.092 416 Y CA -0.296 57.747 58.100 -0.095 0.000 1.150 416 Y CB 1.221 39.564 38.460 -0.195 0.000 1.200 416 Y HN 0.580 nan 8.280 nan 0.000 0.472 417 Y N -0.298 120.070 120.300 0.114 0.000 2.625 417 Y HA 0.806 5.356 4.550 -0.000 0.000 0.338 417 Y C -1.766 174.218 175.900 0.141 0.000 1.123 417 Y CA -2.065 56.091 58.100 0.092 0.000 1.046 417 Y CB 1.018 39.509 38.460 0.052 0.000 1.299 417 Y HN 0.433 nan 8.280 nan 0.000 0.464 418 I N 2.902 123.651 120.570 0.297 0.000 2.412 418 I HA 0.671 4.840 4.170 -0.000 0.000 0.296 418 I C -0.303 176.015 176.117 0.336 0.000 0.987 418 I CA -0.371 61.056 61.300 0.212 0.000 1.180 418 I CB 1.965 40.026 38.000 0.102 0.000 1.340 418 I HN 0.867 nan 8.210 nan 0.000 0.455 419 S N 2.943 118.813 115.700 0.284 0.000 2.638 419 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 419 S C -0.570 174.103 174.600 0.121 0.000 1.157 419 S CA -0.900 57.458 58.200 0.263 0.000 0.826 419 S CB 1.627 65.031 63.200 0.340 0.000 1.139 419 S HN 0.634 nan 8.310 nan 0.000 0.474 420 N N -0.214 118.548 118.700 0.103 0.000 2.321 420 N HA 0.131 4.871 4.740 -0.000 0.000 0.242 420 N C 0.588 176.072 175.510 -0.044 0.000 1.141 420 N CA -0.181 52.877 53.050 0.014 0.000 0.864 420 N CB 0.220 38.693 38.487 -0.024 0.000 1.100 420 N HN 0.837 nan 8.380 nan 0.000 0.510 421 E N -0.018 120.025 120.200 -0.261 0.000 2.077 421 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 421 E C -0.334 176.115 176.600 -0.252 0.000 0.989 421 E CA 0.366 56.371 56.400 -0.658 0.000 0.800 421 E CB -0.135 28.637 29.700 -1.547 0.000 0.746 421 E HN 0.388 nan 8.360 nan 0.000 0.452 422 Y N 2.068 122.273 120.300 -0.159 0.000 2.865 422 Y HA -0.158 4.392 4.550 -0.000 0.000 0.338 422 Y C 0.332 176.191 175.900 -0.068 0.000 1.269 422 Y CA 1.023 59.080 58.100 -0.071 0.000 1.585 422 Y CB -0.005 38.444 38.460 -0.018 0.000 1.224 422 Y HN 0.112 nan 8.280 nan 0.000 0.554 423 K N 3.323 123.446 120.400 -0.462 0.000 3.130 423 K HA -0.233 4.087 4.320 -0.000 0.000 0.282 423 K C 0.814 177.340 176.600 -0.124 0.000 1.145 423 K CA 0.719 56.800 56.287 -0.345 0.000 0.831 423 K CB -1.808 30.465 32.500 -0.379 0.000 1.226 423 K HN 1.250 nan 8.250 nan 0.000 0.478 424 G N 1.650 110.383 108.800 -0.113 0.000 2.422 424 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.301 424 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.301 424 G C 0.089 174.963 174.900 -0.043 0.000 0.981 424 G CA 1.116 46.188 45.100 -0.047 0.000 0.994 424 G HN 0.520 nan 8.290 nan 0.000 0.514 425 M N -1.782 117.733 119.600 -0.141 0.000 2.101 425 M HA 0.523 5.003 4.480 -0.000 0.000 0.340 425 M C -2.161 173.878 176.300 -0.435 0.000 1.057 425 M CA -2.493 52.556 55.300 -0.417 0.000 0.984 425 M CB 2.200 34.579 32.600 -0.369 0.000 1.560 425 M HN -0.119 nan 8.290 nan 0.000 0.435 426 P HA 0.076 nan 4.420 nan 0.000 0.229 426 P C 1.204 178.343 177.300 -0.268 0.000 1.160 426 P CA 0.911 63.812 63.100 -0.333 0.000 0.777 426 P CB 0.180 31.683 31.700 -0.329 0.000 0.814 427 G N -0.676 107.907 108.800 -0.362 0.000 3.448 427 G HA2 0.366 4.325 3.960 -0.000 0.000 0.261 427 G HA3 0.366 4.325 3.960 -0.000 0.000 0.261 427 G C 0.494 175.372 174.900 -0.037 0.000 1.173 427 G CA -0.076 44.940 45.100 -0.139 0.000 0.835 427 G HN 0.350 nan 8.290 nan 0.000 0.534 428 G N -0.163 108.565 108.800 -0.121 0.000 2.489 428 G HA2 0.686 4.646 3.960 -0.000 0.000 0.327 428 G HA3 0.686 4.646 3.960 -0.000 0.000 0.327 428 G C -0.957 173.813 174.900 -0.217 0.000 1.189 428 G CA -0.788 44.268 45.100 -0.073 0.000 0.962 428 G HN 0.094 nan 8.290 nan 0.000 0.486 429 R N 0.891 121.241 120.500 -0.251 0.000 2.522 429 R HA 0.434 4.774 4.340 -0.000 0.000 0.283 429 R C -1.379 174.877 176.300 -0.074 0.000 1.074 429 R CA -0.807 55.114 56.100 -0.298 0.000 0.925 429 R CB 2.006 31.868 30.300 -0.730 0.000 1.205 429 R HN 0.614 nan 8.270 nan 0.000 0.436 430 N N 1.539 120.219 118.700 -0.034 0.000 2.329 430 N HA 0.343 5.083 4.740 -0.000 0.000 0.282 430 N C -1.328 174.051 175.510 -0.218 0.000 1.198 430 N CA -0.805 52.151 53.050 -0.156 0.000 0.790 430 N CB 2.773 41.084 38.487 -0.294 0.000 1.579 430 N HN 0.266 nan 8.380 nan 0.000 0.475 431 L N 1.998 122.938 121.223 -0.472 0.000 2.292 431 L HA 0.506 4.846 4.340 -0.000 0.000 0.284 431 L C -1.441 175.023 176.870 -0.676 0.000 1.065 431 L CA -0.005 54.575 54.840 -0.432 0.000 0.806 431 L CB 0.023 41.812 42.059 -0.451 0.000 1.175 431 L HN 0.423 nan 8.230 nan 0.000 0.431 432 Y N 3.354 123.300 120.300 -0.590 0.000 2.570 432 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 432 Y C -0.473 175.053 175.900 -0.622 0.000 1.014 432 Y CA -0.824 56.864 58.100 -0.688 0.000 1.063 432 Y CB 1.810 39.640 38.460 -1.050 0.000 1.272 432 Y HN 0.569 nan 8.280 nan 0.000 0.477 433 K N 2.107 122.340 120.400 -0.278 0.000 2.375 433 K HA 0.807 5.127 4.320 -0.000 0.000 0.249 433 K C -1.853 174.735 176.600 -0.021 0.000 0.942 433 K CA -0.761 55.332 56.287 -0.323 0.000 0.806 433 K CB 2.957 35.042 32.500 -0.692 0.000 1.227 433 K HN 0.740 nan 8.250 nan 0.000 0.430 434 I N 1.473 122.089 120.570 0.077 0.000 2.545 434 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 434 I C -0.990 175.183 176.117 0.094 0.000 1.040 434 I CA -0.823 60.575 61.300 0.164 0.000 1.068 434 I CB 2.263 40.391 38.000 0.212 0.000 1.251 434 I HN 0.791 nan 8.210 nan 0.000 0.424 435 Q N 5.476 125.295 119.800 0.031 0.000 2.314 435 Q HA 0.183 4.523 4.340 -0.000 0.000 0.257 435 Q C 0.083 175.975 176.000 -0.179 0.000 0.975 435 Q CA -0.600 55.042 55.803 -0.268 0.000 0.933 435 Q CB 1.279 29.871 28.738 -0.244 0.000 1.195 435 Q HN 0.700 nan 8.270 nan 0.000 0.426 436 L N 2.938 124.012 121.223 -0.248 0.000 2.549 436 L HA -0.092 4.248 4.340 -0.000 0.000 0.229 436 L C 1.689 178.354 176.870 -0.342 0.000 1.158 436 L CA 1.206 55.961 54.840 -0.141 0.000 0.842 436 L CB -0.289 41.719 42.059 -0.084 0.000 0.952 436 L HN 0.549 nan 8.230 nan 0.000 0.452 437 S N -1.549 113.943 115.700 -0.346 0.000 2.427 437 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 437 S C 0.582 174.964 174.600 -0.364 0.000 1.047 437 S CA 0.361 58.371 58.200 -0.318 0.000 0.953 437 S CB 0.226 63.288 63.200 -0.230 0.000 0.824 437 S HN 0.430 nan 8.310 nan 0.000 0.502 438 D N -0.080 120.131 120.400 -0.315 0.000 2.346 438 D HA 0.245 4.885 4.640 -0.000 0.000 0.255 438 D C -0.250 175.979 176.300 -0.118 0.000 1.276 438 D CA -0.551 53.311 54.000 -0.230 0.000 0.941 438 D CB -0.058 40.667 40.800 -0.125 0.000 1.199 438 D HN -0.042 nan 8.370 nan 0.000 0.537 439 Y N 1.279 121.540 120.300 -0.066 0.000 2.538 439 Y HA -0.100 4.450 4.550 -0.000 0.000 0.287 439 Y C 2.437 178.329 175.900 -0.013 0.000 1.157 439 Y CA 1.195 59.267 58.100 -0.047 0.000 1.338 439 Y CB -0.731 37.701 38.460 -0.048 0.000 0.970 439 Y HN 0.395 nan 8.280 nan 0.000 0.564 440 T N -0.594 114.027 114.554 0.111 0.000 3.100 440 T HA 0.033 4.382 4.350 -0.000 0.000 0.253 440 T C 0.569 175.310 174.700 0.068 0.000 1.118 440 T CA -0.001 62.146 62.100 0.078 0.000 1.058 440 T CB -0.232 68.663 68.868 0.045 0.000 0.953 440 T HN 0.103 nan 8.240 nan 0.000 0.515 441 K N 1.844 122.283 120.400 0.064 0.000 2.250 441 K HA 0.463 4.783 4.320 -0.000 0.000 0.280 441 K C -1.242 175.423 176.600 0.109 0.000 1.098 441 K CA -0.307 56.022 56.287 0.070 0.000 0.916 441 K CB 1.636 34.165 32.500 0.048 0.000 1.209 441 K HN 0.068 nan 8.250 nan 0.000 0.461 442 V N 3.366 123.348 119.914 0.113 0.000 2.482 442 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 442 V C -1.014 175.150 176.094 0.118 0.000 1.026 442 V CA -0.273 62.112 62.300 0.143 0.000 0.856 442 V CB 1.899 33.836 31.823 0.189 0.000 1.001 442 V HN 0.693 nan 8.190 nan 0.000 0.424 443 T N 5.367 119.961 114.554 0.066 0.000 2.794 443 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 443 T C -0.201 174.433 174.700 -0.111 0.000 0.987 443 T CA -0.308 61.782 62.100 -0.016 0.000 0.993 443 T CB 1.162 69.987 68.868 -0.072 0.000 0.939 443 T HN 0.828 nan 8.240 nan 0.000 0.449 444 C N 5.014 124.182 119.300 -0.219 0.000 2.464 444 C HA 0.352 4.812 4.460 -0.000 0.000 0.370 444 C C 1.698 176.366 174.990 -0.536 0.000 1.267 444 C CA -0.601 58.014 59.018 -0.672 0.000 1.781 444 C CB -1.953 25.318 27.740 -0.782 0.000 2.431 444 C HN 0.982 nan 8.230 nan 0.000 0.556 445 L N 4.667 125.533 121.223 -0.594 0.000 2.509 445 L HA 0.072 4.411 4.340 -0.000 0.000 0.222 445 L C 2.048 178.599 176.870 -0.531 0.000 1.123 445 L CA 0.981 55.553 54.840 -0.446 0.000 0.856 445 L CB -0.286 41.537 42.059 -0.393 0.000 0.985 445 L HN 0.904 nan 8.230 nan 0.000 0.456 446 S N -3.583 111.684 115.700 -0.721 0.000 2.651 446 S HA -0.005 4.465 4.470 -0.000 0.000 0.259 446 S C 1.769 175.935 174.600 -0.723 0.000 1.073 446 S CA -0.139 57.517 58.200 -0.906 0.000 1.090 446 S CB -0.283 61.999 63.200 -1.530 0.000 1.042 446 S HN 0.271 nan 8.310 nan 0.000 0.581 447 C N 2.258 121.119 119.300 -0.732 0.000 2.398 447 C HA -0.004 4.456 4.460 -0.000 0.000 0.276 447 C C 2.642 177.310 174.990 -0.536 0.000 1.222 447 C CA 1.463 59.964 59.018 -0.861 0.000 1.746 447 C CB -1.029 25.982 27.740 -1.216 0.000 2.039 447 C HN 0.571 nan 8.230 nan 0.000 0.470 448 E N 0.168 120.155 120.200 -0.356 0.000 2.447 448 E HA 0.136 4.485 4.350 -0.000 0.000 0.195 448 E C 2.015 178.559 176.600 -0.094 0.000 1.028 448 E CA 0.121 56.420 56.400 -0.168 0.000 0.876 448 E CB -0.356 29.271 29.700 -0.121 0.000 0.885 448 E HN 0.581 nan 8.360 nan 0.000 0.500 449 L N 0.305 121.464 121.223 -0.106 0.000 2.081 449 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 449 L C 0.995 177.874 176.870 0.015 0.000 1.080 449 L CA 1.081 55.902 54.840 -0.030 0.000 0.754 449 L CB -0.127 41.928 42.059 -0.007 0.000 0.893 449 L HN 0.084 nan 8.230 nan 0.000 0.433 450 N N -1.630 117.091 118.700 0.036 0.000 3.029 450 N HA 0.071 4.811 4.740 -0.000 0.000 0.198 450 N C -2.160 173.375 175.510 0.042 0.000 1.444 450 N CA -0.694 52.376 53.050 0.034 0.000 0.784 450 N CB 0.718 39.222 38.487 0.029 0.000 1.539 450 N HN -0.169 nan 8.380 nan 0.000 0.582 451 P HA -0.072 nan 4.420 nan 0.000 0.222 451 P C 0.752 178.105 177.300 0.088 0.000 1.147 451 P CA 1.080 64.233 63.100 0.087 0.000 0.790 451 P CB 0.748 32.518 31.700 0.116 0.000 0.780 452 E N -0.520 119.712 120.200 0.053 0.000 2.190 452 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 452 E C 2.287 178.899 176.600 0.020 0.000 0.978 452 E CA 0.305 56.729 56.400 0.041 0.000 0.839 452 E CB 0.015 29.732 29.700 0.028 0.000 0.787 452 E HN 0.181 nan 8.360 nan 0.000 0.473 453 R N -0.238 120.261 120.500 -0.001 0.000 2.156 453 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 453 R C -0.001 176.258 176.300 -0.068 0.000 1.040 453 R CA 0.521 56.599 56.100 -0.038 0.000 1.013 453 R CB 0.483 30.748 30.300 -0.057 0.000 0.931 453 R HN 0.015 nan 8.270 nan 0.000 0.465 454 c N 1.018 119.582 118.600 -0.060 0.000 2.534 454 c HA 0.380 4.950 4.570 -0.000 0.000 0.309 454 c C 0.120 174.171 174.090 -0.066 0.000 1.072 454 c CA -0.717 55.506 56.329 -0.177 0.000 1.441 454 c CB 1.244 43.582 42.510 -0.286 0.000 1.906 454 c HN 0.506 nan 8.230 nan 0.000 0.429 455 Q N 0.351 120.130 119.800 -0.035 0.000 2.189 455 Q HA 0.182 4.522 4.340 -0.000 0.000 0.223 455 Q C -0.760 175.298 176.000 0.096 0.000 0.828 455 Q CA 0.212 56.067 55.803 0.086 0.000 0.967 455 Q CB 1.340 30.151 28.738 0.121 0.000 1.139 455 Q HN 0.769 nan 8.270 nan 0.000 0.497 456 Y N 0.454 120.657 120.300 -0.162 0.000 2.373 456 Y HA 0.341 4.891 4.550 -0.000 0.000 0.327 456 Y C -1.638 174.115 175.900 -0.245 0.000 1.036 456 Y CA -1.184 56.840 58.100 -0.127 0.000 1.265 456 Y CB 0.671 39.066 38.460 -0.109 0.000 1.108 456 Y HN -0.089 nan 8.280 nan 0.000 0.471 457 Y N 2.435 122.696 120.300 -0.065 0.000 2.446 457 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 457 Y C 0.277 176.142 175.900 -0.058 0.000 1.055 457 Y CA -0.595 57.468 58.100 -0.061 0.000 1.101 457 Y CB 2.156 40.533 38.460 -0.138 0.000 1.221 457 Y HN 0.522 nan 8.280 nan 0.000 0.460 458 S N 1.275 117.066 115.700 0.151 0.000 2.638 458 S HA 0.848 5.318 4.470 -0.000 0.000 0.302 458 S C -1.468 173.194 174.600 0.104 0.000 1.096 458 S CA -0.782 57.489 58.200 0.119 0.000 0.953 458 S CB 1.886 65.170 63.200 0.140 0.000 1.107 458 S HN 0.559 nan 8.310 nan 0.000 0.503 459 V N 0.711 120.678 119.914 0.088 0.000 2.823 459 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 459 V C -0.915 175.237 176.094 0.097 0.000 1.072 459 V CA -0.355 61.959 62.300 0.023 0.000 0.937 459 V CB 2.258 33.993 31.823 -0.147 0.000 1.013 459 V HN 1.108 nan 8.190 nan 0.000 0.430 460 S N 5.414 121.166 115.700 0.087 0.000 2.659 460 S HA 0.682 5.152 4.470 -0.000 0.000 0.312 460 S C -1.185 173.541 174.600 0.209 0.000 1.114 460 S CA -0.387 57.966 58.200 0.255 0.000 1.063 460 S CB 0.495 63.911 63.200 0.360 0.000 0.996 460 S HN 0.504 nan 8.310 nan 0.000 0.478 461 F N 3.186 123.196 119.950 0.100 0.000 2.399 461 F HA 0.425 4.952 4.527 -0.000 0.000 0.334 461 F C 1.304 176.661 175.800 -0.739 0.000 1.097 461 F CA -0.359 57.519 58.000 -0.203 0.000 1.076 461 F CB 1.541 40.418 39.000 -0.205 0.000 1.162 461 F HN 0.634 nan 8.300 nan 0.000 0.495 462 S N 2.649 117.667 115.700 -1.136 0.000 2.580 462 S HA 0.073 4.543 4.470 -0.000 0.000 0.266 462 S C 1.222 175.596 174.600 -0.376 0.000 1.354 462 S CA -0.802 56.636 58.200 -1.270 0.000 1.008 462 S CB 0.771 63.284 63.200 -1.144 0.000 0.898 462 S HN 0.605 nan 8.310 nan 0.000 0.555 463 K N 1.076 121.379 120.400 -0.162 0.000 2.173 463 K HA -0.134 4.185 4.320 -0.000 0.000 0.207 463 K C 0.898 177.486 176.600 -0.021 0.000 1.046 463 K CA 1.562 57.842 56.287 -0.011 0.000 0.929 463 K CB -0.300 32.237 32.500 0.063 0.000 0.720 463 K HN 0.740 nan 8.250 nan 0.000 0.453 464 E N -1.210 118.952 120.200 -0.064 0.000 2.603 464 E HA 0.216 4.566 4.350 -0.000 0.000 0.211 464 E C 0.052 176.606 176.600 -0.078 0.000 0.995 464 E CA 0.171 56.544 56.400 -0.045 0.000 0.990 464 E CB 0.740 30.425 29.700 -0.025 0.000 1.036 464 E HN 0.182 nan 8.360 nan 0.000 0.475 465 A N 1.758 124.514 122.820 -0.106 0.000 2.869 465 A HA -0.306 4.014 4.320 -0.000 0.000 0.280 465 A C 1.371 178.916 177.584 -0.065 0.000 1.458 465 A CA 1.608 53.608 52.037 -0.062 0.000 0.776 465 A CB -2.183 16.637 19.000 -0.299 0.000 1.028 465 A HN 0.244 nan 8.150 nan 0.000 0.547 466 K N -1.588 118.714 120.400 -0.164 0.000 2.167 466 K HA 0.195 4.515 4.320 -0.000 0.000 0.203 466 K C 0.304 176.566 176.600 -0.563 0.000 1.052 466 K CA 1.458 57.532 56.287 -0.356 0.000 0.956 466 K CB 0.035 32.273 32.500 -0.437 0.000 0.735 466 K HN 0.709 nan 8.250 nan 0.000 0.451 467 Y N -1.146 119.039 120.300 -0.192 0.000 2.602 467 Y HA 0.358 4.908 4.550 -0.000 0.000 0.342 467 Y C -1.048 174.737 175.900 -0.191 0.000 1.029 467 Y CA -1.386 56.601 58.100 -0.189 0.000 1.080 467 Y CB 1.669 40.052 38.460 -0.128 0.000 1.284 467 Y HN -0.050 nan 8.280 nan 0.000 0.485 468 Y N -1.073 119.194 120.300 -0.054 0.000 2.482 468 Y HA 0.444 4.994 4.550 -0.000 0.000 0.334 468 Y C -1.271 174.630 175.900 0.002 0.000 1.091 468 Y CA -1.377 56.536 58.100 -0.311 0.000 1.027 468 Y CB 1.326 39.108 38.460 -1.130 0.000 1.306 468 Y HN 0.608 nan 8.280 nan 0.000 0.446 469 Q N 4.353 124.286 119.800 0.221 0.000 2.274 469 Q HA 0.509 4.849 4.340 -0.000 0.000 0.256 469 Q C -1.611 174.486 176.000 0.162 0.000 0.927 469 Q CA -0.642 55.258 55.803 0.161 0.000 0.939 469 Q CB 1.160 29.961 28.738 0.105 0.000 1.201 469 Q HN 0.966 nan 8.270 nan 0.000 0.426 470 L N 4.561 125.898 121.223 0.190 0.000 2.289 470 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 470 L C -0.191 176.742 176.870 0.105 0.000 1.049 470 L CA -0.492 54.447 54.840 0.165 0.000 0.804 470 L CB 1.253 43.404 42.059 0.154 0.000 1.195 470 L HN 0.593 nan 8.230 nan 0.000 0.428 471 R N 2.613 123.144 120.500 0.053 0.000 2.312 471 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 471 R C -0.919 175.218 176.300 -0.272 0.000 1.064 471 R CA -0.495 55.461 56.100 -0.239 0.000 0.983 471 R CB 1.309 31.531 30.300 -0.130 0.000 1.139 471 R HN 0.568 nan 8.270 nan 0.000 0.536 472 c N 2.610 120.933 118.600 -0.462 0.000 2.415 472 c HA 0.315 4.885 4.570 -0.000 0.000 0.369 472 c C 1.278 175.122 174.090 -0.411 0.000 1.279 472 c CA -0.269 55.688 56.329 -0.620 0.000 1.886 472 c CB -0.071 42.028 42.510 -0.685 0.000 2.468 472 c HN 0.933 nan 8.230 nan 0.000 0.553 473 S N 3.843 119.387 115.700 -0.260 0.000 2.663 473 S HA 0.631 5.101 4.470 -0.000 0.000 0.243 473 S C 0.420 174.954 174.600 -0.110 0.000 1.009 473 S CA 0.158 58.259 58.200 -0.165 0.000 0.988 473 S CB 0.112 63.231 63.200 -0.135 0.000 0.896 473 S HN 1.877 nan 8.310 nan 0.000 0.502 474 G N 2.152 110.882 108.800 -0.115 0.000 2.369 474 G HA2 0.256 4.216 3.960 -0.000 0.000 0.293 474 G HA3 0.256 4.216 3.960 -0.000 0.000 0.293 474 G C -2.921 171.961 174.900 -0.031 0.000 1.301 474 G CA -0.456 44.629 45.100 -0.026 0.000 0.913 474 G HN -0.121 nan 8.290 nan 0.000 0.540 475 P HA 0.084 nan 4.420 nan 0.000 0.222 475 P C 1.374 178.748 177.300 0.124 0.000 1.147 475 P CA 1.729 64.871 63.100 0.071 0.000 0.790 475 P CB 0.068 31.800 31.700 0.054 0.000 0.780 476 G N 0.113 108.911 108.800 -0.003 0.000 2.563 476 G HA2 0.399 4.359 3.960 -0.000 0.000 0.283 476 G HA3 0.399 4.359 3.960 -0.000 0.000 0.283 476 G C -0.366 174.315 174.900 -0.366 0.000 1.309 476 G CA -0.784 44.239 45.100 -0.128 0.000 1.022 476 G HN 0.048 nan 8.290 nan 0.000 0.501 477 L N 1.353 122.227 121.223 -0.581 0.000 2.578 477 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 477 L C -1.783 174.891 176.870 -0.328 0.000 1.227 477 L CA -1.019 53.428 54.840 -0.655 0.000 0.900 477 L CB 0.214 41.996 42.059 -0.463 0.000 1.144 477 L HN 0.245 nan 8.230 nan 0.000 0.496 478 P HA 0.022 nan 4.420 nan 0.000 0.264 478 P C -0.901 176.323 177.300 -0.126 0.000 1.179 478 P CA 0.058 63.060 63.100 -0.164 0.000 0.763 478 P CB 0.568 32.256 31.700 -0.020 0.000 0.806 479 L N 4.454 125.533 121.223 -0.240 0.000 2.470 479 L HA 0.479 4.819 4.340 -0.000 0.000 0.268 479 L C -1.867 174.867 176.870 -0.227 0.000 0.964 479 L CA -0.569 54.194 54.840 -0.129 0.000 0.839 479 L CB 1.121 43.110 42.059 -0.115 0.000 1.276 479 L HN 0.202 nan 8.230 nan 0.000 0.403 480 Y N 2.904 123.153 120.300 -0.084 0.000 2.328 480 Y HA 0.742 5.291 4.550 -0.000 0.000 0.337 480 Y C 0.475 176.265 175.900 -0.184 0.000 0.966 480 Y CA -0.334 57.699 58.100 -0.112 0.000 1.136 480 Y CB 2.117 40.488 38.460 -0.148 0.000 1.170 480 Y HN 0.688 nan 8.280 nan 0.000 0.470 481 T N 1.589 116.141 114.554 -0.003 0.000 2.906 481 T HA 0.712 5.062 4.350 -0.000 0.000 0.295 481 T C -1.288 173.317 174.700 -0.159 0.000 1.075 481 T CA -0.928 61.108 62.100 -0.106 0.000 1.005 481 T CB 1.721 70.577 68.868 -0.020 0.000 1.136 481 T HN 0.549 nan 8.240 nan 0.000 0.498 482 L N 1.201 122.193 121.223 -0.385 0.000 2.342 482 L HA 0.695 5.035 4.340 -0.000 0.000 0.271 482 L C -1.123 175.322 176.870 -0.708 0.000 1.008 482 L CA -0.872 53.763 54.840 -0.342 0.000 0.818 482 L CB 1.872 43.794 42.059 -0.229 0.000 1.296 482 L HN 0.932 nan 8.230 nan 0.000 0.427 483 H N -0.093 118.754 119.070 -0.372 0.000 3.012 483 H HA 0.393 4.948 4.556 -0.000 0.000 0.367 483 H C -0.754 174.304 175.328 -0.451 0.000 1.211 483 H CA -0.637 55.055 56.048 -0.592 0.000 1.139 483 H CB 2.032 30.989 29.762 -1.343 0.000 1.838 483 H HN 0.477 nan 8.280 nan 0.000 0.550 484 S N 0.198 115.768 115.700 -0.216 0.000 2.475 484 S HA 0.334 4.804 4.470 -0.000 0.000 0.298 484 S C 0.308 174.817 174.600 -0.152 0.000 1.119 484 S CA -0.662 57.394 58.200 -0.242 0.000 1.085 484 S CB 1.857 64.931 63.200 -0.211 0.000 1.028 484 S HN 0.565 nan 8.310 nan 0.000 0.489 485 S N 1.900 117.528 115.700 -0.121 0.000 2.371 485 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 485 S C 1.915 176.516 174.600 0.002 0.000 1.029 485 S CA 0.852 59.087 58.200 0.058 0.000 0.978 485 S CB -0.556 62.688 63.200 0.073 0.000 0.833 485 S HN 0.651 nan 8.310 nan 0.000 0.466 486 V N 2.351 122.230 119.914 -0.057 0.000 2.439 486 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 486 V C 0.883 176.965 176.094 -0.020 0.000 1.074 486 V CA 1.898 64.181 62.300 -0.028 0.000 1.076 486 V CB -0.430 31.368 31.823 -0.041 0.000 0.664 486 V HN 0.552 nan 8.190 nan 0.000 0.461 487 N N -1.467 117.215 118.700 -0.030 0.000 2.217 487 N HA 0.096 4.836 4.740 -0.000 0.000 0.239 487 N C -0.705 174.792 175.510 -0.021 0.000 1.330 487 N CA 0.259 53.294 53.050 -0.024 0.000 0.838 487 N CB 0.608 39.083 38.487 -0.019 0.000 1.287 487 N HN 0.310 nan 8.380 nan 0.000 0.498 488 D N 1.530 121.928 120.400 -0.003 0.000 2.701 488 D HA -0.169 4.471 4.640 -0.000 0.000 0.235 488 D C -0.434 175.875 176.300 0.016 0.000 1.155 488 D CA 1.327 55.349 54.000 0.037 0.000 0.649 488 D CB -0.680 40.141 40.800 0.036 0.000 1.050 488 D HN 0.395 nan 8.370 nan 0.000 0.425 489 K N 0.358 120.748 120.400 -0.017 0.000 2.276 489 K HA 0.407 4.727 4.320 -0.000 0.000 0.283 489 K C 1.038 177.608 176.600 -0.050 0.000 1.044 489 K CA -0.163 56.108 56.287 -0.027 0.000 0.944 489 K CB 1.167 33.642 32.500 -0.042 0.000 1.012 489 K HN 0.126 nan 8.250 nan 0.000 0.472 490 G N 2.710 111.478 108.800 -0.054 0.000 2.378 490 G HA2 0.118 4.078 3.960 -0.000 0.000 0.255 490 G HA3 0.118 4.078 3.960 -0.000 0.000 0.255 490 G C 0.570 175.326 174.900 -0.240 0.000 1.270 490 G CA -0.336 44.626 45.100 -0.232 0.000 0.876 490 G HN 0.594 nan 8.290 nan 0.000 0.521 491 L N 1.763 122.784 121.223 -0.338 0.000 2.200 491 L HA 0.360 4.700 4.340 -0.000 0.000 0.200 491 L C 1.499 178.262 176.870 -0.179 0.000 1.072 491 L CA 0.622 55.341 54.840 -0.201 0.000 0.787 491 L CB -0.120 41.845 42.059 -0.156 0.000 0.957 491 L HN 0.780 nan 8.230 nan 0.000 0.459 492 R N -1.801 118.555 120.500 -0.240 0.000 3.062 492 R HA 0.260 4.600 4.340 -0.000 0.000 0.279 492 R C -1.647 174.521 176.300 -0.221 0.000 1.003 492 R CA -0.873 55.116 56.100 -0.185 0.000 0.872 492 R CB 1.011 31.233 30.300 -0.130 0.000 1.280 492 R HN -0.269 nan 8.270 nan 0.000 0.516 493 V N 3.530 123.343 119.914 -0.169 0.000 2.415 493 V HA 0.092 4.212 4.120 -0.000 0.000 0.267 493 V C 1.670 177.626 176.094 -0.230 0.000 1.042 493 V CA -0.146 62.056 62.300 -0.164 0.000 1.000 493 V CB 0.617 32.380 31.823 -0.100 0.000 1.015 493 V HN 0.629 nan 8.190 nan 0.000 0.478 494 L N 2.701 123.712 121.223 -0.354 0.000 2.072 494 L HA 0.112 4.452 4.340 -0.000 0.000 0.205 494 L C 0.948 177.544 176.870 -0.457 0.000 1.079 494 L CA 1.154 55.588 54.840 -0.676 0.000 0.752 494 L CB 0.093 41.396 42.059 -1.260 0.000 0.906 494 L HN 0.690 nan 8.230 nan 0.000 0.436 495 E N -0.520 119.558 120.200 -0.202 0.000 2.343 495 E HA 0.093 4.443 4.350 -0.000 0.000 0.286 495 E C -1.142 175.490 176.600 0.053 0.000 0.915 495 E CA -0.409 55.975 56.400 -0.027 0.000 0.784 495 E CB 1.199 30.907 29.700 0.014 0.000 1.251 495 E HN 0.144 nan 8.360 nan 0.000 0.407 496 D N 3.211 123.625 120.400 0.023 0.000 2.469 496 D HA 0.127 4.767 4.640 -0.000 0.000 0.215 496 D C -0.261 176.041 176.300 0.003 0.000 1.154 496 D CA -0.208 53.797 54.000 0.009 0.000 0.832 496 D CB -0.074 40.715 40.800 -0.019 0.000 1.008 496 D HN 0.476 nan 8.370 nan 0.000 0.506 497 N N 0.464 119.181 118.700 0.029 0.000 2.714 497 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 497 N C 1.115 176.626 175.510 0.000 0.000 1.117 497 N CA 0.974 54.036 53.050 0.019 0.000 0.719 497 N CB -1.344 37.143 38.487 -0.000 0.000 1.081 497 N HN 0.505 nan 8.380 nan 0.000 0.557 498 S N -0.947 114.755 115.700 0.003 0.000 2.399 498 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 498 S C 2.128 176.740 174.600 0.020 0.000 1.022 498 S CA 1.110 59.311 58.200 0.003 0.000 0.983 498 S CB -0.161 63.041 63.200 0.003 0.000 0.803 498 S HN 0.481 nan 8.310 nan 0.000 0.480 499 A N 1.976 124.815 122.820 0.031 0.000 1.892 499 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 499 A C 2.280 179.902 177.584 0.063 0.000 1.188 499 A CA 1.855 53.918 52.037 0.045 0.000 0.631 499 A CB -0.959 18.069 19.000 0.046 0.000 0.822 499 A HN 0.636 nan 8.150 nan 0.000 0.447 500 L N -0.152 121.111 121.223 0.068 0.000 2.109 500 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 500 L C 1.857 178.778 176.870 0.086 0.000 1.086 500 L CA 2.646 57.549 54.840 0.106 0.000 0.760 500 L CB -0.643 41.480 42.059 0.107 0.000 0.910 500 L HN 0.427 nan 8.230 nan 0.000 0.437 501 D N -0.526 119.890 120.400 0.028 0.000 2.123 501 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 501 D C 2.044 178.366 176.300 0.037 0.000 0.992 501 D CA 1.230 55.234 54.000 0.007 0.000 0.833 501 D CB 0.104 40.889 40.800 -0.025 0.000 0.954 501 D HN 0.161 nan 8.370 nan 0.000 0.455 502 K N -0.209 120.219 120.400 0.047 0.000 2.044 502 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 502 K C 2.272 178.924 176.600 0.086 0.000 1.049 502 K CA 0.960 57.281 56.287 0.056 0.000 0.927 502 K CB -0.515 32.015 32.500 0.051 0.000 0.713 502 K HN 0.339 nan 8.250 nan 0.000 0.443 503 M N 0.540 120.215 119.600 0.125 0.000 2.159 503 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 503 M C 1.983 178.422 176.300 0.231 0.000 1.063 503 M CA 1.265 56.687 55.300 0.203 0.000 1.110 503 M CB 0.035 32.801 32.600 0.276 0.000 1.374 503 M HN 0.041 nan 8.290 nan 0.000 0.411 504 L N -0.140 121.176 121.223 0.155 0.000 2.291 504 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 504 L C 2.486 179.383 176.870 0.045 0.000 1.120 504 L CA 0.810 55.688 54.840 0.063 0.000 0.799 504 L CB -0.684 41.390 42.059 0.024 0.000 0.925 504 L HN 0.477 nan 8.230 nan 0.000 0.446 505 Q N -0.748 119.086 119.800 0.056 0.000 2.436 505 Q HA -0.120 4.220 4.340 -0.000 0.000 0.209 505 Q C 0.911 176.947 176.000 0.059 0.000 0.965 505 Q CA 0.858 56.688 55.803 0.046 0.000 0.910 505 Q CB -0.321 28.440 28.738 0.039 0.000 0.980 505 Q HN 0.508 nan 8.270 nan 0.000 0.491 506 N N 1.176 119.925 118.700 0.082 0.000 2.461 506 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 506 N C -0.056 175.511 175.510 0.095 0.000 1.134 506 N CA 0.401 53.507 53.050 0.094 0.000 0.878 506 N CB 1.205 39.764 38.487 0.121 0.000 0.972 506 N HN 0.210 nan 8.380 nan 0.000 0.456 507 V N 0.296 120.249 119.914 0.066 0.000 2.709 507 V HA 0.223 4.343 4.120 -0.000 0.000 0.308 507 V C -0.687 175.414 176.094 0.013 0.000 1.062 507 V CA -0.881 61.447 62.300 0.047 0.000 0.901 507 V CB 2.145 33.979 31.823 0.020 0.000 1.003 507 V HN -0.013 nan 8.190 nan 0.000 0.425 508 Q N 6.299 126.111 119.800 0.021 0.000 2.546 508 Q HA 0.187 4.527 4.340 -0.000 0.000 0.237 508 Q C -0.130 175.830 176.000 -0.066 0.000 1.333 508 Q CA 0.017 55.801 55.803 -0.032 0.000 0.877 508 Q CB 0.079 28.812 28.738 -0.009 0.000 1.629 508 Q HN 0.636 nan 8.270 nan 0.000 0.549 509 M N 2.959 122.508 119.600 -0.085 0.000 2.226 509 M HA 0.280 4.760 4.480 -0.000 0.000 0.324 509 M C -1.945 174.270 176.300 -0.141 0.000 1.112 509 M CA -2.246 52.986 55.300 -0.114 0.000 1.176 509 M CB -0.398 32.145 32.600 -0.096 0.000 1.430 509 M HN 0.267 nan 8.290 nan 0.000 0.462 510 P HA 0.321 nan 4.420 nan 0.000 0.280 510 P C -0.890 176.307 177.300 -0.172 0.000 1.272 510 P CA -0.524 62.467 63.100 -0.182 0.000 0.819 510 P CB 0.567 32.143 31.700 -0.206 0.000 1.122 511 S N -0.866 114.720 115.700 -0.190 0.000 2.718 511 S HA 0.599 5.069 4.470 -0.000 0.000 0.300 511 S C -0.444 174.039 174.600 -0.195 0.000 1.117 511 S CA -0.737 57.364 58.200 -0.165 0.000 1.002 511 S CB 1.318 64.423 63.200 -0.158 0.000 1.092 511 S HN 0.432 nan 8.310 nan 0.000 0.542 512 K N 0.348 120.660 120.400 -0.147 0.000 2.292 512 K HA 0.422 4.742 4.320 -0.000 0.000 0.257 512 K C -1.229 175.299 176.600 -0.121 0.000 0.940 512 K CA -0.547 55.656 56.287 -0.139 0.000 0.811 512 K CB 1.296 33.736 32.500 -0.099 0.000 1.120 512 K HN 0.695 nan 8.250 nan 0.000 0.428 513 K N 4.986 125.304 120.400 -0.137 0.000 2.265 513 K HA 0.328 4.648 4.320 -0.000 0.000 0.267 513 K C -1.305 175.233 176.600 -0.104 0.000 0.994 513 K CA -0.622 55.599 56.287 -0.110 0.000 0.860 513 K CB 0.924 33.351 32.500 -0.122 0.000 1.099 513 K HN 0.500 nan 8.250 nan 0.000 0.448 514 L N 4.465 125.646 121.223 -0.069 0.000 2.305 514 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 514 L C -1.098 175.730 176.870 -0.071 0.000 1.013 514 L CA -0.146 54.682 54.840 -0.020 0.000 0.819 514 L CB 1.250 43.388 42.059 0.131 0.000 1.227 514 L HN 0.867 nan 8.230 nan 0.000 0.417 515 D N 2.959 123.109 120.400 -0.416 0.000 2.825 515 D HA 0.495 5.135 4.640 -0.000 0.000 0.327 515 D C -1.494 174.382 176.300 -0.706 0.000 1.277 515 D CA 0.007 53.665 54.000 -0.569 0.000 0.950 515 D CB 2.144 42.612 40.800 -0.553 0.000 1.438 515 D HN 0.222 nan 8.370 nan 0.000 0.526 516 F N -0.268 119.292 119.950 -0.649 0.000 2.629 516 F HA 0.752 5.279 4.527 -0.000 0.000 0.316 516 F C -0.871 174.971 175.800 0.070 0.000 1.081 516 F CA -1.106 56.629 58.000 -0.441 0.000 0.954 516 F CB 0.899 39.161 39.000 -1.230 0.000 1.337 516 F HN 0.259 nan 8.300 nan 0.000 0.474 517 I N 0.096 120.928 120.570 0.436 0.000 2.785 517 I HA 0.630 4.800 4.170 -0.000 0.000 0.302 517 I C -1.192 175.167 176.117 0.403 0.000 1.069 517 I CA -1.209 60.290 61.300 0.333 0.000 1.045 517 I CB 2.337 40.516 38.000 0.299 0.000 1.236 517 I HN 0.600 nan 8.210 nan 0.000 0.429 518 I N 5.148 125.892 120.570 0.291 0.000 2.342 518 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 518 I C -0.631 175.628 176.117 0.236 0.000 1.010 518 I CA -0.457 60.989 61.300 0.244 0.000 1.308 518 I CB 1.230 39.335 38.000 0.175 0.000 1.400 518 I HN 0.415 nan 8.210 nan 0.000 0.488 519 L N 6.184 127.591 121.223 0.306 0.000 2.386 519 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 519 L C -0.056 176.953 176.870 0.231 0.000 0.993 519 L CA -0.941 54.065 54.840 0.276 0.000 0.819 519 L CB 1.598 43.879 42.059 0.369 0.000 1.294 519 L HN 0.552 nan 8.230 nan 0.000 0.414 520 N N 3.118 121.902 118.700 0.139 0.000 2.698 520 N HA -0.224 4.516 4.740 -0.000 0.000 0.258 520 N C 0.216 175.774 175.510 0.079 0.000 0.978 520 N CA 1.271 54.379 53.050 0.097 0.000 0.777 520 N CB -0.750 37.792 38.487 0.091 0.000 0.907 520 N HN 0.796 nan 8.380 nan 0.000 0.543 521 E N -4.397 115.843 120.200 0.066 0.000 3.799 521 E HA -0.220 4.130 4.350 -0.000 0.000 0.320 521 E C -0.532 176.068 176.600 -0.000 0.000 0.760 521 E CA 1.503 57.923 56.400 0.034 0.000 1.153 521 E CB -1.738 27.974 29.700 0.019 0.000 1.589 521 E HN 0.562 nan 8.360 nan 0.000 0.448 522 T N 1.854 116.404 114.554 -0.007 0.000 2.829 522 T HA 0.343 4.693 4.350 -0.000 0.000 0.280 522 T C 0.004 174.542 174.700 -0.271 0.000 0.999 522 T CA -0.974 61.016 62.100 -0.183 0.000 0.983 522 T CB 1.801 70.496 68.868 -0.287 0.000 0.968 522 T HN 0.014 nan 8.240 nan 0.000 0.446 523 K N 2.964 123.162 120.400 -0.336 0.000 2.312 523 K HA 0.378 4.698 4.320 -0.000 0.000 0.287 523 K C -1.186 175.173 176.600 -0.401 0.000 1.062 523 K CA -0.248 55.872 56.287 -0.278 0.000 0.934 523 K CB 0.415 32.607 32.500 -0.513 0.000 1.027 523 K HN 0.451 nan 8.250 nan 0.000 0.478 524 F N 1.855 121.910 119.950 0.175 0.000 2.444 524 F HA 0.305 4.832 4.527 -0.000 0.000 0.342 524 F C -0.342 175.586 175.800 0.214 0.000 1.121 524 F CA -0.936 57.161 58.000 0.160 0.000 0.997 524 F CB 1.050 40.129 39.000 0.130 0.000 1.130 524 F HN 0.474 nan 8.300 nan 0.000 0.454 525 W N 3.862 125.299 121.300 0.228 0.000 2.313 525 W HA 0.474 5.134 4.660 -0.000 0.000 0.328 525 W C -0.580 176.132 176.519 0.320 0.000 1.197 525 W CA -0.553 56.954 57.345 0.271 0.000 1.235 525 W CB 0.695 30.249 29.460 0.157 0.000 1.158 525 W HN 0.437 nan 8.180 nan 0.000 0.578 526 Y N -0.013 120.616 120.300 0.548 0.000 2.609 526 Y HA 0.666 5.216 4.550 -0.000 0.000 0.342 526 Y C -0.921 175.200 175.900 0.370 0.000 1.058 526 Y CA -1.806 56.618 58.100 0.540 0.000 1.055 526 Y CB 1.247 40.183 38.460 0.793 0.000 1.292 526 Y HN 0.550 nan 8.280 nan 0.000 0.476 527 Q N 2.591 122.616 119.800 0.374 0.000 2.421 527 Q HA 0.744 5.084 4.340 -0.000 0.000 0.280 527 Q C -1.921 174.186 176.000 0.179 0.000 1.085 527 Q CA -1.130 54.766 55.803 0.156 0.000 0.807 527 Q CB 3.202 32.009 28.738 0.114 0.000 1.405 527 Q HN 0.911 nan 8.270 nan 0.000 0.419 528 M N 2.428 122.050 119.600 0.038 0.000 2.393 528 M HA 0.458 4.938 4.480 -0.000 0.000 0.299 528 M C -1.185 175.018 176.300 -0.161 0.000 1.103 528 M CA -0.963 54.287 55.300 -0.084 0.000 0.910 528 M CB 2.297 34.792 32.600 -0.175 0.000 1.659 528 M HN 0.591 nan 8.290 nan 0.000 0.445 529 I N 4.752 125.221 120.570 -0.169 0.000 2.297 529 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 529 I C -0.472 175.462 176.117 -0.306 0.000 1.033 529 I CA -0.275 60.898 61.300 -0.212 0.000 1.253 529 I CB 0.232 38.132 38.000 -0.166 0.000 1.396 529 I HN 0.630 nan 8.210 nan 0.000 0.476 530 L N 8.373 129.356 121.223 -0.400 0.000 2.289 530 L HA 0.413 4.753 4.340 -0.000 0.000 0.285 530 L C -2.115 174.534 176.870 -0.369 0.000 1.049 530 L CA -1.750 52.742 54.840 -0.580 0.000 0.804 530 L CB 1.178 42.696 42.059 -0.903 0.000 1.195 530 L HN 0.255 nan 8.230 nan 0.000 0.428 531 P HA 0.055 nan 4.420 nan 0.000 0.269 531 P C -2.462 174.785 177.300 -0.089 0.000 1.217 531 P CA -0.831 62.195 63.100 -0.123 0.000 0.783 531 P CB -0.228 31.479 31.700 0.013 0.000 0.898 532 P HA 0.057 nan 4.420 nan 0.000 0.274 532 P C -0.558 176.651 177.300 -0.152 0.000 1.237 532 P CA 0.038 62.995 63.100 -0.239 0.000 0.793 532 P CB -0.014 31.448 31.700 -0.396 0.000 0.977 533 H N -2.660 116.456 119.070 0.077 0.000 2.770 533 H HA -0.210 4.346 4.556 -0.000 0.000 0.309 533 H C -0.209 175.196 175.328 0.129 0.000 1.206 533 H CA -0.224 55.874 56.048 0.083 0.000 1.147 533 H CB -2.481 27.318 29.762 0.061 0.000 1.422 533 H HN 0.301 nan 8.280 nan 0.000 0.420 534 F N 2.366 122.327 119.950 0.018 0.000 2.541 534 F HA 0.163 4.690 4.527 -0.000 0.000 0.378 534 F C 0.444 176.267 175.800 0.037 0.000 1.068 534 F CA -0.558 57.413 58.000 -0.048 0.000 1.199 534 F CB 0.533 39.389 39.000 -0.240 0.000 1.091 534 F HN 0.250 nan 8.300 nan 0.000 0.555 535 D N 6.015 126.164 120.400 -0.418 0.000 2.460 535 D HA 0.122 4.761 4.640 -0.000 0.000 0.232 535 D C 0.665 176.642 176.300 -0.537 0.000 1.079 535 D CA -0.547 53.244 54.000 -0.349 0.000 0.864 535 D CB 0.965 41.703 40.800 -0.103 0.000 1.048 535 D HN 0.692 nan 8.370 nan 0.000 0.523 536 K N 0.902 120.942 120.400 -0.601 0.000 2.519 536 K HA -0.109 4.211 4.320 -0.000 0.000 0.196 536 K C 1.005 177.596 176.600 -0.015 0.000 1.041 536 K CA 1.152 57.236 56.287 -0.339 0.000 0.954 536 K CB -0.041 32.412 32.500 -0.078 0.000 0.774 536 K HN 0.162 nan 8.250 nan 0.000 0.480 537 S N -0.992 114.672 115.700 -0.060 0.000 2.539 537 S HA 0.211 4.681 4.470 -0.000 0.000 0.221 537 S C 0.162 174.740 174.600 -0.037 0.000 0.987 537 S CA -0.688 57.499 58.200 -0.021 0.000 0.929 537 S CB 0.172 63.351 63.200 -0.034 0.000 0.832 537 S HN 0.219 nan 8.310 nan 0.000 0.492 538 K N 1.402 121.767 120.400 -0.057 0.000 2.185 538 K HA 0.471 4.791 4.320 -0.000 0.000 0.240 538 K C -0.819 175.717 176.600 -0.105 0.000 0.983 538 K CA -0.654 55.545 56.287 -0.147 0.000 0.873 538 K CB 0.971 33.297 32.500 -0.291 0.000 1.118 538 K HN 0.036 nan 8.250 nan 0.000 0.441 539 K N 2.589 122.875 120.400 -0.191 0.000 2.265 539 K HA 0.245 4.565 4.320 -0.000 0.000 0.267 539 K C -1.228 175.263 176.600 -0.181 0.000 0.994 539 K CA -0.552 55.692 56.287 -0.072 0.000 0.860 539 K CB 1.000 33.463 32.500 -0.062 0.000 1.099 539 K HN 0.404 nan 8.250 nan 0.000 0.448 540 Y N 2.724 123.050 120.300 0.043 0.000 2.420 540 Y HA 0.278 4.828 4.550 -0.000 0.000 0.334 540 Y C -1.947 173.900 175.900 -0.089 0.000 1.094 540 Y CA -2.685 55.418 58.100 0.006 0.000 1.126 540 Y CB 0.778 39.301 38.460 0.105 0.000 1.217 540 Y HN 0.475 nan 8.280 nan 0.000 0.462 541 P HA 0.184 nan 4.420 nan 0.000 0.275 541 P C -1.045 176.148 177.300 -0.179 0.000 1.228 541 P CA -0.190 62.658 63.100 -0.420 0.000 0.786 541 P CB 1.472 32.516 31.700 -1.094 0.000 0.927 542 L N 2.851 124.020 121.223 -0.089 0.000 2.362 542 L HA 0.567 4.907 4.340 -0.000 0.000 0.271 542 L C -1.150 175.932 176.870 0.353 0.000 1.002 542 L CA -1.084 53.839 54.840 0.139 0.000 0.818 542 L CB 1.686 43.842 42.059 0.161 0.000 1.298 542 L HN 0.241 nan 8.230 nan 0.000 0.420 543 L N 5.428 126.865 121.223 0.357 0.000 2.343 543 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 543 L C -1.211 175.912 176.870 0.422 0.000 0.996 543 L CA -0.854 54.248 54.840 0.437 0.000 0.831 543 L CB 1.767 44.029 42.059 0.339 0.000 1.232 543 L HN 0.599 nan 8.230 nan 0.000 0.413 544 L N 5.120 126.639 121.223 0.492 0.000 2.313 544 L HA 0.308 4.648 4.340 -0.000 0.000 0.282 544 L C -0.288 176.828 176.870 0.410 0.000 1.092 544 L CA 0.279 55.392 54.840 0.454 0.000 0.831 544 L CB 0.833 43.190 42.059 0.496 0.000 1.159 544 L HN 0.490 nan 8.230 nan 0.000 0.442 545 D N 4.320 124.931 120.400 0.351 0.000 2.280 545 D HA 0.375 5.015 4.640 -0.000 0.000 0.236 545 D C -1.243 175.139 176.300 0.137 0.000 1.082 545 D CA -0.117 54.002 54.000 0.199 0.000 0.834 545 D CB 1.628 42.631 40.800 0.338 0.000 1.100 545 D HN 0.323 nan 8.370 nan 0.000 0.486 546 V N 5.606 125.524 119.914 0.006 0.000 2.709 546 V HA 0.407 4.527 4.120 -0.000 0.000 0.308 546 V C -1.071 175.125 176.094 0.171 0.000 1.062 546 V CA -0.498 61.878 62.300 0.127 0.000 0.901 546 V CB 1.584 33.481 31.823 0.123 0.000 1.003 546 V HN 0.659 nan 8.190 nan 0.000 0.425 547 Y N 5.586 125.956 120.300 0.117 0.000 2.488 547 Y HA 0.573 5.123 4.550 -0.000 0.000 0.262 547 Y C 1.815 177.852 175.900 0.228 0.000 1.108 547 Y CA 1.917 60.114 58.100 0.162 0.000 1.299 547 Y CB 0.165 38.707 38.460 0.136 0.000 1.231 547 Y HN 1.194 nan 8.280 nan 0.000 0.507 548 A N 0.163 123.126 122.820 0.240 0.000 3.153 548 A HA -0.177 4.143 4.320 -0.000 0.000 0.265 548 A C 1.156 178.673 177.584 -0.112 0.000 1.212 548 A CA 0.783 52.902 52.037 0.136 0.000 1.018 548 A CB -2.604 16.518 19.000 0.203 0.000 1.130 548 A HN 0.918 nan 8.150 nan 0.000 0.873 549 G N -0.050 108.465 108.800 -0.476 0.000 2.647 549 G HA2 0.389 4.349 3.960 -0.000 0.000 0.234 549 G HA3 0.389 4.349 3.960 -0.000 0.000 0.234 549 G C -1.665 172.948 174.900 -0.480 0.000 1.252 549 G CA -0.017 44.438 45.100 -1.076 0.000 0.846 549 G HN 0.468 nan 8.290 nan 0.000 0.589 550 P HA 0.007 nan 4.420 nan 0.000 0.264 550 P C 0.753 177.882 177.300 -0.285 0.000 1.193 550 P CA 0.148 62.973 63.100 -0.458 0.000 0.763 550 P CB 0.741 31.787 31.700 -1.090 0.000 0.810 551 C N 2.145 121.356 119.300 -0.148 0.000 4.392 551 C HA -0.158 4.302 4.460 -0.000 0.000 0.280 551 C C 1.169 176.113 174.990 -0.076 0.000 1.381 551 C CA 1.196 60.076 59.018 -0.229 0.000 1.871 551 C CB -2.647 24.805 27.740 -0.479 0.000 1.323 551 C HN 0.827 nan 8.230 nan 0.000 0.772 552 S N 0.056 115.797 115.700 0.068 0.000 2.600 552 S HA 0.489 4.959 4.470 -0.000 0.000 0.265 552 S C -0.540 174.205 174.600 0.242 0.000 1.325 552 S CA 0.248 58.590 58.200 0.236 0.000 1.002 552 S CB 1.479 64.886 63.200 0.344 0.000 0.921 552 S HN 0.801 nan 8.310 nan 0.000 0.554 553 Q N 0.036 120.022 119.800 0.309 0.000 2.374 553 Q HA 0.322 4.662 4.340 -0.000 0.000 0.250 553 Q C -0.705 175.431 176.000 0.227 0.000 0.918 553 Q CA -0.593 55.390 55.803 0.300 0.000 0.778 553 Q CB 0.961 29.951 28.738 0.419 0.000 1.328 553 Q HN 0.701 nan 8.270 nan 0.000 0.445 554 K N 0.831 121.360 120.400 0.215 0.000 2.355 554 K HA 0.325 4.645 4.320 -0.000 0.000 0.198 554 K C -0.313 176.399 176.600 0.187 0.000 1.039 554 K CA 0.258 56.661 56.287 0.193 0.000 1.075 554 K CB 1.494 34.132 32.500 0.229 0.000 0.870 554 K HN 0.478 nan 8.250 nan 0.000 0.540 555 A N 2.841 125.782 122.820 0.202 0.000 2.316 555 A HA 0.427 4.747 4.320 -0.000 0.000 0.324 555 A C -0.702 176.968 177.584 0.143 0.000 1.375 555 A CA -0.522 51.638 52.037 0.205 0.000 0.882 555 A CB 0.170 19.351 19.000 0.302 0.000 1.152 555 A HN 0.234 nan 8.150 nan 0.000 0.512 556 D N 0.113 120.573 120.400 0.099 0.000 2.895 556 D HA 0.393 5.033 4.640 -0.000 0.000 0.320 556 D C 0.582 176.912 176.300 0.049 0.000 1.249 556 D CA 0.402 54.448 54.000 0.077 0.000 0.997 556 D CB 0.083 40.947 40.800 0.107 0.000 1.430 556 D HN 0.187 nan 8.370 nan 0.000 0.558 557 T N -2.534 112.062 114.554 0.070 0.000 3.069 557 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 557 T C 0.615 175.287 174.700 -0.046 0.000 1.053 557 T CA -0.245 61.884 62.100 0.048 0.000 0.964 557 T CB -0.484 68.456 68.868 0.120 0.000 1.005 557 T HN 0.282 nan 8.240 nan 0.000 0.532 558 V N 2.885 122.672 119.914 -0.212 0.000 2.540 558 V HA 0.194 4.314 4.120 -0.000 0.000 0.297 558 V C 0.272 176.301 176.094 -0.109 0.000 1.024 558 V CA -0.802 61.324 62.300 -0.290 0.000 1.105 558 V CB -0.613 30.927 31.823 -0.472 0.000 0.938 558 V HN 0.507 nan 8.190 nan 0.000 0.482 559 F N 6.687 126.538 119.950 -0.165 0.000 2.506 559 F HA 0.395 4.922 4.527 -0.000 0.000 0.371 559 F C 0.736 176.477 175.800 -0.099 0.000 1.078 559 F CA 0.185 58.114 58.000 -0.118 0.000 1.195 559 F CB 0.087 39.026 39.000 -0.101 0.000 1.099 559 F HN 0.454 nan 8.300 nan 0.000 0.548 560 R N 5.409 125.531 120.500 -0.630 0.000 2.686 560 R HA 0.564 4.903 4.340 -0.000 0.000 0.283 560 R C -1.886 174.103 176.300 -0.518 0.000 0.978 560 R CA -1.163 54.711 56.100 -0.377 0.000 0.897 560 R CB 1.812 31.985 30.300 -0.212 0.000 1.192 560 R HN 0.408 nan 8.270 nan 0.000 0.457 561 L N 4.130 125.214 121.223 -0.231 0.000 2.316 561 L HA 0.444 4.783 4.340 -0.000 0.000 0.280 561 L C -0.593 176.291 176.870 0.024 0.000 1.006 561 L CA -0.527 54.201 54.840 -0.186 0.000 0.836 561 L CB 0.660 42.709 42.059 -0.018 0.000 1.221 561 L HN 0.780 nan 8.230 nan 0.000 0.418 562 N N 0.769 119.418 118.700 -0.084 0.000 3.439 562 N HA 0.140 4.879 4.740 -0.000 0.000 0.313 562 N C 0.391 175.549 175.510 -0.585 0.000 1.598 562 N CA -0.792 52.109 53.050 -0.247 0.000 0.830 562 N CB -0.041 38.413 38.487 -0.055 0.000 1.849 562 N HN 0.281 nan 8.380 nan 0.000 0.598 563 W N 0.719 121.414 121.300 -1.007 0.000 2.338 563 W HA 0.136 4.796 4.660 -0.000 0.000 0.304 563 W C 2.100 178.573 176.519 -0.076 0.000 1.212 563 W CA 3.067 60.078 57.345 -0.557 0.000 1.264 563 W CB -0.996 28.306 29.460 -0.264 0.000 1.142 563 W HN 0.715 nan 8.180 nan 0.000 0.512 564 A N -0.512 122.278 122.820 -0.049 0.000 1.940 564 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 564 A C 1.945 179.422 177.584 -0.178 0.000 1.176 564 A CA 2.612 54.565 52.037 -0.140 0.000 0.631 564 A CB -1.355 17.653 19.000 0.013 0.000 0.814 564 A HN 0.302 nan 8.150 nan 0.000 0.446 565 T N -1.301 113.163 114.554 -0.151 0.000 2.720 565 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 565 T C 1.786 176.493 174.700 0.012 0.000 1.037 565 T CA 1.794 63.787 62.100 -0.179 0.000 1.144 565 T CB -0.453 68.180 68.868 -0.392 0.000 0.864 565 T HN 0.704 nan 8.240 nan 0.000 0.444 566 Y N 1.834 122.161 120.300 0.044 0.000 2.220 566 Y HA 0.053 4.603 4.550 -0.000 0.000 0.291 566 Y C 1.895 177.752 175.900 -0.073 0.000 1.129 566 Y CA 0.827 58.983 58.100 0.093 0.000 1.161 566 Y CB -0.658 37.852 38.460 0.083 0.000 0.997 566 Y HN 0.110 nan 8.280 nan 0.000 0.522 567 L N 0.328 121.130 121.223 -0.702 0.000 2.083 567 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 567 L C 2.802 179.428 176.870 -0.408 0.000 1.083 567 L CA 1.253 55.641 54.840 -0.755 0.000 0.752 567 L CB -0.916 40.738 42.059 -0.674 0.000 0.899 567 L HN 0.394 nan 8.230 nan 0.000 0.433 568 A N -1.205 121.447 122.820 -0.280 0.000 1.874 568 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 568 A C 2.524 180.027 177.584 -0.136 0.000 1.189 568 A CA 1.733 53.659 52.037 -0.185 0.000 0.615 568 A CB -0.624 18.263 19.000 -0.189 0.000 0.830 568 A HN 0.309 nan 8.150 nan 0.000 0.443 569 S N -1.246 114.389 115.700 -0.108 0.000 2.357 569 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 569 S C 1.989 176.583 174.600 -0.010 0.000 1.031 569 S CA 2.205 60.388 58.200 -0.029 0.000 0.982 569 S CB -0.358 62.881 63.200 0.066 0.000 0.853 569 S HN 0.581 nan 8.310 nan 0.000 0.458 570 T N 1.240 115.758 114.554 -0.060 0.000 2.953 570 T HA 0.177 4.527 4.350 -0.000 0.000 0.247 570 T C 1.336 175.988 174.700 -0.079 0.000 1.029 570 T CA 0.531 62.619 62.100 -0.020 0.000 1.144 570 T CB -0.097 68.845 68.868 0.124 0.000 0.870 570 T HN 0.317 nan 8.240 nan 0.000 0.446 571 E N 1.135 121.197 120.200 -0.230 0.000 2.474 571 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 571 E C -0.028 176.541 176.600 -0.052 0.000 1.039 571 E CA -0.076 56.241 56.400 -0.138 0.000 0.881 571 E CB -0.198 29.374 29.700 -0.214 0.000 0.970 571 E HN 0.474 nan 8.360 nan 0.000 0.486 572 N N 0.432 119.106 118.700 -0.044 0.000 2.754 572 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 572 N C -0.912 174.660 175.510 0.103 0.000 1.093 572 N CA 0.272 53.360 53.050 0.063 0.000 0.699 572 N CB -1.228 37.333 38.487 0.123 0.000 1.016 572 N HN 0.194 nan 8.380 nan 0.000 0.552 573 I N 0.862 121.432 120.570 0.000 0.000 2.385 573 I HA 0.306 4.476 4.170 -0.000 0.000 0.294 573 I C 0.716 176.813 176.117 -0.033 0.000 0.988 573 I CA -0.763 60.551 61.300 0.024 0.000 1.265 573 I CB 1.139 39.172 38.000 0.055 0.000 1.388 573 I HN 0.026 nan 8.210 nan 0.000 0.480 574 I N 6.567 127.129 120.570 -0.014 0.000 2.436 574 I HA 0.091 4.261 4.170 -0.000 0.000 0.289 574 I C -0.315 175.795 176.117 -0.011 0.000 1.083 574 I CA -0.257 60.991 61.300 -0.087 0.000 1.372 574 I CB 0.484 38.439 38.000 -0.075 0.000 1.408 574 I HN 0.218 nan 8.210 nan 0.000 0.516 575 V N 6.717 126.605 119.914 -0.043 0.000 2.370 575 V HA 0.657 4.777 4.120 -0.000 0.000 0.279 575 V C 0.428 176.547 176.094 0.042 0.000 1.029 575 V CA -0.421 61.905 62.300 0.043 0.000 0.870 575 V CB 1.056 32.891 31.823 0.021 0.000 0.984 575 V HN 0.836 nan 8.190 nan 0.000 0.451 576 A N 3.945 126.839 122.820 0.123 0.000 2.413 576 A HA 0.940 5.260 4.320 -0.000 0.000 0.307 576 A C -0.324 177.434 177.584 0.290 0.000 1.087 576 A CA -0.533 51.567 52.037 0.106 0.000 0.750 576 A CB 1.954 20.892 19.000 -0.103 0.000 1.296 576 A HN 0.689 nan 8.150 nan 0.000 0.423 577 S N -0.153 115.759 115.700 0.353 0.000 2.549 577 S HA 0.788 5.258 4.470 -0.000 0.000 0.280 577 S C -1.502 173.473 174.600 0.626 0.000 1.109 577 S CA -0.312 58.150 58.200 0.436 0.000 0.905 577 S CB 1.364 64.752 63.200 0.313 0.000 1.081 577 S HN 0.841 nan 8.310 nan 0.000 0.477 578 F N 1.595 121.794 119.950 0.415 0.000 2.591 578 F HA 0.500 5.027 4.527 -0.000 0.000 0.309 578 F C -1.656 174.349 175.800 0.342 0.000 1.098 578 F CA -0.689 57.575 58.000 0.440 0.000 0.937 578 F CB 1.632 40.859 39.000 0.379 0.000 1.250 578 F HN 0.402 nan 8.300 nan 0.000 0.447 579 D N 4.111 124.295 120.400 -0.360 0.000 2.460 579 D HA 0.369 5.009 4.640 -0.000 0.000 0.232 579 D C 0.285 176.295 176.300 -0.483 0.000 1.079 579 D CA 0.040 53.927 54.000 -0.189 0.000 0.864 579 D CB 1.562 42.396 40.800 0.056 0.000 1.048 579 D HN 0.775 nan 8.370 nan 0.000 0.523 580 G N 1.276 109.921 108.800 -0.259 0.000 2.543 580 G HA2 0.288 4.248 3.960 -0.000 0.000 0.267 580 G HA3 0.288 4.248 3.960 -0.000 0.000 0.267 580 G C 0.192 175.056 174.900 -0.061 0.000 1.406 580 G CA -0.631 44.337 45.100 -0.221 0.000 1.048 580 G HN 0.258 nan 8.290 nan 0.000 0.548 581 R N -0.917 119.523 120.500 -0.100 0.000 2.583 581 R HA 0.371 4.711 4.340 -0.000 0.000 0.274 581 R C 1.366 177.738 176.300 0.119 0.000 0.998 581 R CA 2.000 58.141 56.100 0.068 0.000 1.081 581 R CB 0.363 30.684 30.300 0.036 0.000 0.940 581 R HN 1.236 nan 8.270 nan 0.000 0.413 582 G N 1.248 110.120 108.800 0.120 0.000 2.213 582 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 582 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 582 G C 0.164 175.092 174.900 0.048 0.000 0.991 582 G CA 0.114 45.274 45.100 0.100 0.000 0.629 582 G HN 0.646 nan 8.290 nan 0.000 0.517 583 S N 0.852 116.592 115.700 0.066 0.000 2.550 583 S HA 0.447 4.916 4.470 -0.000 0.000 0.285 583 S C 1.109 175.684 174.600 -0.041 0.000 1.326 583 S CA 0.507 58.739 58.200 0.052 0.000 1.037 583 S CB 0.896 64.166 63.200 0.117 0.000 0.838 583 S HN 1.360 nan 8.310 nan 0.000 0.519 584 G N -0.071 108.653 108.800 -0.127 0.000 2.488 584 G HA2 0.493 4.453 3.960 -0.000 0.000 0.318 584 G HA3 0.493 4.453 3.960 -0.000 0.000 0.318 584 G C -0.895 173.840 174.900 -0.274 0.000 1.188 584 G CA -0.681 44.149 45.100 -0.451 0.000 0.944 584 G HN 0.833 nan 8.290 nan 0.000 0.495 585 Y N -2.449 117.842 120.300 -0.015 0.000 4.729 585 Y HA -0.220 4.330 4.550 -0.000 0.000 0.239 585 Y C 1.452 177.347 175.900 -0.008 0.000 1.043 585 Y CA 0.999 59.095 58.100 -0.007 0.000 2.045 585 Y CB -2.163 36.310 38.460 0.022 0.000 1.599 585 Y HN 0.572 nan 8.280 nan 0.000 0.655 586 Q N -0.079 119.741 119.800 0.034 0.000 2.140 586 Q HA 0.514 4.854 4.340 -0.000 0.000 0.227 586 Q C 0.966 176.878 176.000 -0.146 0.000 0.798 586 Q CA 0.279 56.111 55.803 0.047 0.000 0.987 586 Q CB 1.937 30.695 28.738 0.033 0.000 1.161 586 Q HN 0.587 nan 8.270 nan 0.000 0.480 587 G N 0.712 109.283 108.800 -0.380 0.000 2.539 587 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 587 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 587 G C -0.700 173.822 174.900 -0.630 0.000 1.258 587 G CA -0.643 43.950 45.100 -0.846 0.000 0.846 587 G HN 0.026 nan 8.290 nan 0.000 0.647 588 D N -0.134 119.854 120.400 -0.687 0.000 2.218 588 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 588 D C 2.201 178.196 176.300 -0.508 0.000 0.976 588 D CA 1.319 54.856 54.000 -0.771 0.000 0.853 588 D CB 0.070 40.402 40.800 -0.781 0.000 0.939 588 D HN 0.595 nan 8.370 nan 0.000 0.481 589 K N 0.502 120.675 120.400 -0.378 0.000 2.032 589 K HA -0.119 4.200 4.320 -0.000 0.000 0.209 589 K C 2.056 178.569 176.600 -0.145 0.000 1.048 589 K CA 0.990 57.149 56.287 -0.212 0.000 0.927 589 K CB -0.097 32.297 32.500 -0.176 0.000 0.712 589 K HN 0.098 nan 8.250 nan 0.000 0.441 590 I N 0.367 120.843 120.570 -0.157 0.000 2.286 590 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 590 I C 2.616 178.708 176.117 -0.042 0.000 1.104 590 I CA 0.928 62.207 61.300 -0.034 0.000 1.397 590 I CB -0.078 37.925 38.000 0.004 0.000 1.072 590 I HN 0.333 nan 8.210 nan 0.000 0.417 591 M N -0.203 119.287 119.600 -0.182 0.000 2.200 591 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 591 M C 1.759 178.057 176.300 -0.003 0.000 1.066 591 M CA 1.863 57.073 55.300 -0.150 0.000 1.127 591 M CB -0.195 32.204 32.600 -0.335 0.000 1.379 591 M HN 0.276 nan 8.290 nan 0.000 0.420 592 H N -1.083 117.886 119.070 -0.168 0.000 2.539 592 H HA 0.224 4.780 4.556 -0.000 0.000 0.269 592 H C 1.820 177.163 175.328 0.025 0.000 0.980 592 H CA 0.157 56.114 56.048 -0.153 0.000 1.152 592 H CB 0.270 29.850 29.762 -0.304 0.000 1.407 592 H HN 0.475 nan 8.280 nan 0.000 0.564 593 A N 1.507 124.419 122.820 0.153 0.000 2.070 593 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 593 A C 2.015 179.805 177.584 0.344 0.000 1.159 593 A CA 1.105 53.238 52.037 0.160 0.000 0.656 593 A CB -0.662 18.355 19.000 0.028 0.000 0.800 593 A HN 0.600 nan 8.150 nan 0.000 0.453 594 I N -3.369 117.393 120.570 0.319 0.000 3.904 594 I HA 0.175 4.345 4.170 -0.000 0.000 0.333 594 I C 0.376 176.626 176.117 0.221 0.000 1.361 594 I CA -0.519 60.952 61.300 0.285 0.000 1.116 594 I CB -0.449 37.687 38.000 0.226 0.000 1.028 594 I HN 0.217 nan 8.210 nan 0.000 0.398 595 N N 3.109 121.977 118.700 0.280 0.000 2.357 595 N HA -0.088 4.652 4.740 -0.000 0.000 0.257 595 N C 0.165 175.748 175.510 0.121 0.000 1.250 595 N CA 0.365 53.575 53.050 0.266 0.000 0.862 595 N CB 0.339 38.938 38.487 0.187 0.000 1.066 595 N HN 0.427 nan 8.380 nan 0.000 0.468 596 R N 0.361 120.912 120.500 0.085 0.000 4.000 596 R HA -0.200 4.140 4.340 -0.000 0.000 0.362 596 R C -0.095 176.196 176.300 -0.015 0.000 1.183 596 R CA 0.849 56.963 56.100 0.025 0.000 1.011 596 R CB -1.000 29.314 30.300 0.023 0.000 1.501 596 R HN 0.581 nan 8.270 nan 0.000 0.553 597 R N 0.663 121.156 120.500 -0.011 0.000 2.569 597 R HA 0.330 4.670 4.340 -0.000 0.000 0.429 597 R C -0.572 175.796 176.300 0.114 0.000 0.994 597 R CA -0.169 55.850 56.100 -0.134 0.000 1.089 597 R CB 0.493 30.667 30.300 -0.209 0.000 1.420 597 R HN 0.091 nan 8.270 nan 0.000 0.615 598 L N -0.243 121.073 121.223 0.155 0.000 2.483 598 L HA 0.218 4.557 4.340 -0.000 0.000 0.276 598 L C 1.301 178.402 176.870 0.385 0.000 1.213 598 L CA 1.152 56.085 54.840 0.156 0.000 0.843 598 L CB 0.546 42.485 42.059 -0.200 0.000 1.107 598 L HN 0.654 nan 8.230 nan 0.000 0.487 599 G N 0.876 109.945 108.800 0.449 0.000 2.143 599 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 599 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 599 G C 0.505 175.508 174.900 0.172 0.000 0.991 599 G CA 0.612 45.940 45.100 0.381 0.000 0.689 599 G HN 0.832 nan 8.290 nan 0.000 0.522 600 T N -3.336 111.279 114.554 0.100 0.000 3.422 600 T HA 0.449 4.799 4.350 -0.000 0.000 0.192 600 T C 1.704 176.367 174.700 -0.061 0.000 0.857 600 T CA 0.982 63.021 62.100 -0.101 0.000 1.400 600 T CB -0.100 68.517 68.868 -0.418 0.000 1.864 600 T HN 0.114 nan 8.240 nan 0.000 0.415 601 F N 3.350 123.344 119.950 0.072 0.000 2.171 601 F HA 0.075 4.602 4.527 -0.000 0.000 0.300 601 F C 2.825 178.658 175.800 0.054 0.000 1.090 601 F CA 1.242 59.271 58.000 0.048 0.000 1.293 601 F CB -0.582 38.442 39.000 0.041 0.000 1.013 601 F HN 0.510 nan 8.300 nan 0.000 0.486 602 E N 0.939 121.299 120.200 0.266 0.000 2.152 602 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 602 E C 2.266 178.973 176.600 0.178 0.000 0.983 602 E CA 1.546 58.073 56.400 0.212 0.000 0.818 602 E CB -1.094 28.737 29.700 0.217 0.000 0.758 602 E HN 0.360 nan 8.360 nan 0.000 0.467 603 V N 0.347 120.343 119.914 0.137 0.000 2.535 603 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 603 V C 2.037 178.167 176.094 0.060 0.000 1.045 603 V CA 1.682 64.021 62.300 0.065 0.000 1.058 603 V CB -0.228 31.580 31.823 -0.025 0.000 0.689 603 V HN 0.107 nan 8.190 nan 0.000 0.461 604 E N 0.284 120.532 120.200 0.079 0.000 2.049 604 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 604 E C 1.967 178.604 176.600 0.062 0.000 1.007 604 E CA 1.938 58.385 56.400 0.077 0.000 0.809 604 E CB -0.244 29.533 29.700 0.128 0.000 0.749 604 E HN 0.650 nan 8.360 nan 0.000 0.450 605 D N 0.082 120.536 120.400 0.090 0.000 2.218 605 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 605 D C 1.856 178.182 176.300 0.043 0.000 0.976 605 D CA 0.882 54.918 54.000 0.061 0.000 0.853 605 D CB -0.133 40.733 40.800 0.110 0.000 0.939 605 D HN 0.053 nan 8.370 nan 0.000 0.481 606 Q N -0.175 119.693 119.800 0.114 0.000 2.311 606 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 606 Q C 1.985 178.037 176.000 0.087 0.000 0.954 606 Q CA 0.486 56.364 55.803 0.125 0.000 0.885 606 Q CB 0.082 28.917 28.738 0.162 0.000 0.963 606 Q HN 0.329 nan 8.270 nan 0.000 0.471 607 I N -0.446 120.170 120.570 0.076 0.000 2.235 607 I HA -0.145 4.024 4.170 -0.000 0.000 0.241 607 I C 2.006 178.074 176.117 -0.082 0.000 1.085 607 I CA 0.867 62.240 61.300 0.122 0.000 1.378 607 I CB -0.162 37.909 38.000 0.118 0.000 1.076 607 I HN 0.126 nan 8.210 nan 0.000 0.415 608 E N 1.576 121.687 120.200 -0.147 0.000 2.219 608 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 608 E C 2.017 178.326 176.600 -0.484 0.000 0.998 608 E CA 1.525 57.775 56.400 -0.250 0.000 0.818 608 E CB -0.138 29.444 29.700 -0.198 0.000 0.741 608 E HN 0.454 nan 8.360 nan 0.000 0.477 609 A N 0.336 122.750 122.820 -0.678 0.000 1.897 609 A HA 0.054 4.374 4.320 -0.000 0.000 0.215 609 A C 2.395 179.290 177.584 -1.148 0.000 1.181 609 A CA 1.693 52.995 52.037 -1.225 0.000 0.620 609 A CB -0.773 17.430 19.000 -1.328 0.000 0.821 609 A HN 0.343 nan 8.150 nan 0.000 0.443 610 A N -0.110 122.388 122.820 -0.537 0.000 1.969 610 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 610 A C 2.223 179.597 177.584 -0.349 0.000 1.169 610 A CA 1.343 53.181 52.037 -0.331 0.000 0.635 610 A CB -0.408 18.427 19.000 -0.274 0.000 0.810 610 A HN 0.551 nan 8.150 nan 0.000 0.445 611 R N -0.743 119.544 120.500 -0.355 0.000 2.075 611 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 611 R C 2.328 178.456 176.300 -0.286 0.000 1.126 611 R CA 1.335 57.270 56.100 -0.275 0.000 0.963 611 R CB -0.295 29.871 30.300 -0.223 0.000 0.858 611 R HN 0.526 nan 8.270 nan 0.000 0.435 612 Q N -0.041 119.513 119.800 -0.410 0.000 2.084 612 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 612 Q C 2.027 177.875 176.000 -0.253 0.000 0.978 612 Q CA 1.393 56.979 55.803 -0.362 0.000 0.844 612 Q CB -0.153 28.307 28.738 -0.464 0.000 0.898 612 Q HN 0.287 nan 8.270 nan 0.000 0.426 613 F N 0.583 120.365 119.950 -0.280 0.000 2.186 613 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 613 F C 2.686 178.289 175.800 -0.329 0.000 1.090 613 F CA 0.761 58.587 58.000 -0.292 0.000 1.307 613 F CB -1.254 37.632 39.000 -0.191 0.000 1.019 613 F HN -0.004 nan 8.300 nan 0.000 0.489 614 S N -0.083 115.560 115.700 -0.095 0.000 2.359 614 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 614 S C 2.065 176.552 174.600 -0.189 0.000 1.035 614 S CA 1.191 59.302 58.200 -0.148 0.000 1.018 614 S CB -0.177 62.934 63.200 -0.148 0.000 0.876 614 S HN 0.063 nan 8.310 nan 0.000 0.448 615 K N 0.805 121.100 120.400 -0.175 0.000 2.555 615 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 615 K C 1.443 177.933 176.600 -0.183 0.000 1.032 615 K CA 0.387 56.580 56.287 -0.155 0.000 1.004 615 K CB -0.407 32.020 32.500 -0.123 0.000 0.804 615 K HN 0.533 nan 8.250 nan 0.000 0.496 616 M N -1.346 118.078 119.600 -0.293 0.000 2.558 616 M HA 0.029 4.509 4.480 -0.000 0.000 0.255 616 M C 1.169 177.165 176.300 -0.506 0.000 1.113 616 M CA 0.836 55.897 55.300 -0.399 0.000 1.097 616 M CB 0.258 32.527 32.600 -0.552 0.000 1.426 616 M HN 0.340 nan 8.290 nan 0.000 0.488 617 G N 0.758 109.297 108.800 -0.435 0.000 2.241 617 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 617 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 617 G C 0.551 175.375 174.900 -0.128 0.000 0.998 617 G CA 0.406 45.371 45.100 -0.225 0.000 0.621 617 G HN 0.574 nan 8.290 nan 0.000 0.519 618 F N 0.789 120.796 119.950 0.095 0.000 2.765 618 F HA 0.706 5.233 4.527 -0.000 0.000 0.302 618 F C 0.607 176.530 175.800 0.205 0.000 1.111 618 F CA -0.971 57.130 58.000 0.169 0.000 1.359 618 F CB -0.077 39.077 39.000 0.258 0.000 1.097 618 F HN 0.072 nan 8.300 nan 0.000 0.577 619 V N 2.025 121.977 119.914 0.063 0.000 2.383 619 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 619 V C -0.430 175.671 176.094 0.012 0.000 1.036 619 V CA -0.806 61.541 62.300 0.079 0.000 0.889 619 V CB 1.122 32.937 31.823 -0.013 0.000 0.985 619 V HN 0.081 nan 8.190 nan 0.000 0.459 620 D N 4.439 124.842 120.400 0.005 0.000 2.344 620 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 620 D C 1.108 177.366 176.300 -0.070 0.000 1.255 620 D CA -0.017 53.951 54.000 -0.053 0.000 0.894 620 D CB 0.656 41.402 40.800 -0.090 0.000 1.067 620 D HN 0.423 nan 8.370 nan 0.000 0.492 621 N N 3.457 122.117 118.700 -0.067 0.000 2.364 621 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 621 N C 1.241 176.716 175.510 -0.059 0.000 1.022 621 N CA 0.606 53.611 53.050 -0.075 0.000 0.883 621 N CB 0.052 38.492 38.487 -0.078 0.000 0.965 621 N HN 0.516 nan 8.380 nan 0.000 0.438 622 K N 0.358 120.730 120.400 -0.046 0.000 2.288 622 K HA 0.072 4.391 4.320 -0.000 0.000 0.201 622 K C 0.168 176.775 176.600 0.012 0.000 1.048 622 K CA 0.647 56.925 56.287 -0.016 0.000 0.956 622 K CB 0.234 32.725 32.500 -0.015 0.000 0.746 622 K HN 0.102 nan 8.250 nan 0.000 0.461 623 R N 0.982 121.456 120.500 -0.044 0.000 2.868 623 R HA 0.337 4.677 4.340 -0.000 0.000 0.289 623 R C -0.972 175.289 176.300 -0.065 0.000 1.443 623 R CA -0.140 55.917 56.100 -0.070 0.000 1.651 623 R CB 0.669 30.739 30.300 -0.382 0.000 1.242 623 R HN -0.001 nan 8.270 nan 0.000 0.621 624 I N 1.262 121.930 120.570 0.163 0.000 2.389 624 I HA 0.529 4.699 4.170 -0.000 0.000 0.288 624 I C -0.014 176.411 176.117 0.512 0.000 0.999 624 I CA -0.715 60.722 61.300 0.228 0.000 1.129 624 I CB 1.856 39.821 38.000 -0.058 0.000 1.288 624 I HN 0.333 nan 8.210 nan 0.000 0.444 625 A N 7.129 130.359 122.820 0.684 0.000 2.387 625 A HA 0.921 5.241 4.320 -0.000 0.000 0.303 625 A C -1.146 176.811 177.584 0.623 0.000 1.145 625 A CA -0.643 51.772 52.037 0.630 0.000 0.801 625 A CB 2.086 21.321 19.000 0.391 0.000 1.342 625 A HN 0.724 nan 8.150 nan 0.000 0.440 626 I N 0.697 121.520 120.570 0.421 0.000 2.656 626 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 626 I C -1.912 174.436 176.117 0.385 0.000 1.144 626 I CA -0.473 60.983 61.300 0.261 0.000 1.038 626 I CB 1.572 39.382 38.000 -0.318 0.000 1.244 626 I HN 0.920 nan 8.210 nan 0.000 0.420 627 W N 7.004 128.418 121.300 0.190 0.000 3.213 627 W HA 0.839 5.499 4.660 -0.000 0.000 0.318 627 W C -1.587 175.071 176.519 0.232 0.000 1.248 627 W CA -1.100 56.368 57.345 0.205 0.000 1.187 627 W CB 1.033 30.662 29.460 0.281 0.000 1.403 627 W HN 0.824 nan 8.180 nan 0.000 0.556 628 G N 1.200 109.908 108.800 -0.155 0.000 2.673 628 G HA2 0.482 4.442 3.960 -0.000 0.000 0.292 628 G HA3 0.482 4.442 3.960 -0.000 0.000 0.292 628 G C -2.703 172.142 174.900 -0.092 0.000 1.450 628 G CA -0.709 44.171 45.100 -0.368 0.000 0.837 628 G HN 0.607 nan 8.290 nan 0.000 0.505 629 W N 1.342 122.515 121.300 -0.213 0.000 2.606 629 W HA 0.615 5.275 4.660 -0.000 0.000 0.332 629 W C 0.783 177.345 176.519 0.073 0.000 1.052 629 W CA 0.379 57.701 57.345 -0.038 0.000 1.223 629 W CB 1.810 31.259 29.460 -0.020 0.000 1.383 629 W HN 1.234 nan 8.180 nan 0.000 0.524 630 S N 2.718 118.679 115.700 0.435 0.000 4.069 630 S HA -0.423 4.047 4.470 -0.000 0.000 0.626 630 S C 1.099 175.810 174.600 0.185 0.000 2.000 630 S CA 1.580 60.053 58.200 0.455 0.000 4.174 630 S CB -1.848 61.776 63.200 0.707 0.000 0.210 630 S HN 0.734 nan 8.310 nan 0.000 0.602 631 Y N 2.354 122.632 120.300 -0.036 0.000 2.241 631 Y HA 0.001 4.550 4.550 -0.000 0.000 0.286 631 Y C 2.392 178.181 175.900 -0.184 0.000 1.166 631 Y CA 2.711 60.669 58.100 -0.238 0.000 1.203 631 Y CB -1.046 37.052 38.460 -0.603 0.000 0.977 631 Y HN 0.560 nan 8.280 nan 0.000 0.529 632 G N -1.136 107.661 108.800 -0.006 0.000 2.422 632 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 632 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 632 G C 1.921 176.849 174.900 0.045 0.000 1.140 632 G CA 0.700 45.842 45.100 0.070 0.000 0.775 632 G HN 0.574 nan 8.290 nan 0.000 0.545 633 G N -0.113 108.721 108.800 0.057 0.000 2.408 633 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 633 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 633 G C 1.603 176.512 174.900 0.016 0.000 1.150 633 G CA 1.083 46.200 45.100 0.027 0.000 0.776 633 G HN 0.465 nan 8.290 nan 0.000 0.542 634 Y N 1.137 121.327 120.300 -0.183 0.000 2.200 634 Y HA -0.032 4.518 4.550 -0.000 0.000 0.290 634 Y C 2.652 178.446 175.900 -0.177 0.000 1.137 634 Y CA 1.407 59.343 58.100 -0.273 0.000 1.163 634 Y CB -0.236 37.892 38.460 -0.552 0.000 0.988 634 Y HN 0.021 nan 8.280 nan 0.000 0.518 635 V N -0.250 119.541 119.914 -0.205 0.000 2.358 635 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 635 V C 2.271 178.257 176.094 -0.180 0.000 1.047 635 V CA 2.355 64.533 62.300 -0.204 0.000 1.035 635 V CB -1.069 30.782 31.823 0.047 0.000 0.658 635 V HN 0.474 nan 8.190 nan 0.000 0.452 636 T N -0.268 114.229 114.554 -0.095 0.000 2.746 636 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 636 T C 2.159 176.809 174.700 -0.083 0.000 1.039 636 T CA 1.902 63.956 62.100 -0.077 0.000 1.142 636 T CB -0.224 68.666 68.868 0.036 0.000 0.866 636 T HN 0.482 nan 8.240 nan 0.000 0.444 637 S N 1.006 116.682 115.700 -0.041 0.000 2.368 637 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 637 S C 2.127 176.642 174.600 -0.140 0.000 1.029 637 S CA 0.906 59.111 58.200 0.009 0.000 0.988 637 S CB -0.247 62.984 63.200 0.050 0.000 0.838 637 S HN 0.335 nan 8.310 nan 0.000 0.462 638 M N 0.817 120.241 119.600 -0.294 0.000 2.229 638 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 638 M C 2.155 178.299 176.300 -0.259 0.000 1.063 638 M CA 0.972 56.084 55.300 -0.314 0.000 1.114 638 M CB -1.276 31.045 32.600 -0.465 0.000 1.387 638 M HN 0.174 nan 8.290 nan 0.000 0.420 639 V N 0.610 120.369 119.914 -0.258 0.000 2.307 639 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 639 V C 2.437 178.352 176.094 -0.299 0.000 1.045 639 V CA 1.320 63.473 62.300 -0.244 0.000 1.024 639 V CB -0.537 31.095 31.823 -0.318 0.000 0.651 639 V HN 0.395 nan 8.190 nan 0.000 0.449 640 L N 0.296 121.276 121.223 -0.404 0.000 2.275 640 L HA -0.001 4.339 4.340 -0.000 0.000 0.215 640 L C 1.941 178.253 176.870 -0.930 0.000 1.119 640 L CA 1.312 55.820 54.840 -0.553 0.000 0.790 640 L CB -0.521 41.217 42.059 -0.535 0.000 0.919 640 L HN 0.470 nan 8.230 nan 0.000 0.443 641 G N -1.598 106.653 108.800 -0.915 0.000 3.805 641 G HA2 0.089 4.049 3.960 -0.000 0.000 0.290 641 G HA3 0.089 4.049 3.960 -0.000 0.000 0.290 641 G C 1.115 175.824 174.900 -0.318 0.000 1.077 641 G CA 0.472 45.103 45.100 -0.782 0.000 0.852 641 G HN 0.346 nan 8.290 nan 0.000 0.531 642 S N -1.347 114.203 115.700 -0.250 0.000 2.503 642 S HA 0.351 4.821 4.470 -0.000 0.000 0.215 642 S C 1.836 176.383 174.600 -0.089 0.000 1.003 642 S CA 0.947 59.068 58.200 -0.131 0.000 0.910 642 S CB 0.208 63.351 63.200 -0.094 0.000 0.790 642 S HN 1.361 nan 8.310 nan 0.000 0.514 643 G N 1.744 110.484 108.800 -0.101 0.000 2.136 643 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.242 643 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.242 643 G C 0.970 175.854 174.900 -0.028 0.000 0.989 643 G CA 0.893 45.958 45.100 -0.059 0.000 0.682 643 G HN 1.263 nan 8.290 nan 0.000 0.522 644 S N -0.441 115.253 115.700 -0.009 0.000 2.442 644 S HA 0.260 4.730 4.470 -0.000 0.000 0.236 644 S C 2.667 177.268 174.600 0.001 0.000 1.007 644 S CA 1.807 60.014 58.200 0.012 0.000 0.965 644 S CB -0.350 62.886 63.200 0.061 0.000 0.773 644 S HN 2.447 nan 8.310 nan 0.000 0.504 645 G N -0.048 108.758 108.800 0.011 0.000 2.220 645 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.269 645 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.269 645 G C 0.841 175.730 174.900 -0.019 0.000 0.977 645 G CA 0.513 45.613 45.100 0.001 0.000 0.634 645 G HN 0.791 nan 8.290 nan 0.000 0.539 646 V N -0.605 119.285 119.914 -0.040 0.000 2.667 646 V HA 0.260 4.380 4.120 -0.000 0.000 0.252 646 V C 1.088 176.952 176.094 -0.384 0.000 1.065 646 V CA 1.502 63.647 62.300 -0.258 0.000 1.083 646 V CB -0.368 31.201 31.823 -0.424 0.000 0.692 646 V HN 0.309 nan 8.190 nan 0.000 0.468 647 F N -0.331 119.638 119.950 0.031 0.000 2.458 647 F HA 0.427 4.954 4.527 -0.000 0.000 0.336 647 F C 0.999 176.852 175.800 0.087 0.000 1.114 647 F CA -0.716 57.332 58.000 0.079 0.000 0.987 647 F CB 1.761 40.812 39.000 0.084 0.000 1.130 647 F HN -0.286 nan 8.300 nan 0.000 0.458 648 K N 1.722 122.298 120.400 0.292 0.000 2.076 648 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 648 K C 0.090 176.833 176.600 0.238 0.000 1.051 648 K CA 1.093 57.512 56.287 0.221 0.000 0.949 648 K CB 0.231 32.860 32.500 0.214 0.000 0.726 648 K HN 0.793 nan 8.250 nan 0.000 0.443 649 c N -2.781 115.997 118.600 0.297 0.000 3.323 649 c HA 0.929 5.499 4.570 -0.000 0.000 0.324 649 c C -0.190 174.132 174.090 0.386 0.000 1.428 649 c CA -0.486 56.039 56.329 0.327 0.000 1.368 649 c CB 1.097 43.735 42.510 0.212 0.000 1.731 649 c HN 0.401 nan 8.230 nan 0.000 0.455 650 G N -0.128 108.959 108.800 0.479 0.000 2.579 650 G HA2 0.652 4.612 3.960 -0.000 0.000 0.292 650 G HA3 0.652 4.612 3.960 -0.000 0.000 0.292 650 G C -2.030 173.078 174.900 0.346 0.000 1.484 650 G CA -0.653 44.687 45.100 0.400 0.000 0.813 650 G HN 0.992 nan 8.290 nan 0.000 0.515 651 I N 0.729 121.472 120.570 0.290 0.000 2.466 651 I HA 0.632 4.802 4.170 -0.000 0.000 0.289 651 I C 0.172 176.387 176.117 0.164 0.000 1.026 651 I CA -1.005 60.352 61.300 0.095 0.000 1.078 651 I CB 2.239 40.284 38.000 0.075 0.000 1.249 651 I HN 0.680 nan 8.210 nan 0.000 0.429 652 A N 6.494 129.304 122.820 -0.017 0.000 2.304 652 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 652 A C -0.795 176.696 177.584 -0.156 0.000 1.187 652 A CA -0.501 51.536 52.037 -0.000 0.000 0.810 652 A CB 1.145 20.206 19.000 0.101 0.000 1.183 652 A HN 0.439 nan 8.150 nan 0.000 0.487 653 V N 2.156 121.934 119.914 -0.226 0.000 2.384 653 V HA 0.571 4.691 4.120 -0.000 0.000 0.287 653 V C 0.922 176.611 176.094 -0.675 0.000 1.020 653 V CA 0.282 62.240 62.300 -0.571 0.000 0.850 653 V CB 0.802 32.032 31.823 -0.988 0.000 0.987 653 V HN 2.084 nan 8.190 nan 0.000 0.436 654 A N 5.809 128.206 122.820 -0.704 0.000 2.415 654 A HA -0.104 4.215 4.320 -0.000 0.000 0.292 654 A C -1.767 175.683 177.584 -0.223 0.000 1.452 654 A CA 0.333 51.872 52.037 -0.830 0.000 0.750 654 A CB -1.535 17.121 19.000 -0.574 0.000 1.099 654 A HN 0.614 nan 8.150 nan 0.000 0.391 655 P HA 0.388 nan 4.420 nan 0.000 0.277 655 P C 0.268 177.547 177.300 -0.035 0.000 1.240 655 P CA -0.164 62.920 63.100 -0.026 0.000 0.798 655 P CB 1.157 32.856 31.700 -0.001 0.000 0.979 656 V N 2.336 122.132 119.914 -0.197 0.000 2.715 656 V HA 0.050 4.170 4.120 -0.000 0.000 0.299 656 V C 1.711 177.646 176.094 -0.265 0.000 1.054 656 V CA 1.128 63.178 62.300 -0.416 0.000 1.077 656 V CB 0.676 31.868 31.823 -1.051 0.000 0.972 656 V HN 0.848 nan 8.190 nan 0.000 0.484 657 S N 3.904 119.463 115.700 -0.235 0.000 2.741 657 S HA 0.242 4.712 4.470 -0.000 0.000 0.245 657 S C 0.458 174.912 174.600 -0.243 0.000 1.083 657 S CA -0.438 57.685 58.200 -0.128 0.000 0.873 657 S CB 0.348 63.521 63.200 -0.045 0.000 0.814 657 S HN 0.812 nan 8.310 nan 0.000 0.476 658 R N -1.004 119.262 120.500 -0.391 0.000 2.651 658 R HA 0.555 4.895 4.340 -0.000 0.000 0.278 658 R C -0.798 175.213 176.300 -0.482 0.000 1.010 658 R CA -0.934 54.857 56.100 -0.515 0.000 0.896 658 R CB 0.255 30.225 30.300 -0.550 0.000 1.211 658 R HN 0.169 nan 8.270 nan 0.000 0.456 659 W N 1.151 122.375 121.300 -0.127 0.000 2.465 659 W HA 0.005 4.664 4.660 -0.000 0.000 0.268 659 W C 1.157 177.808 176.519 0.219 0.000 1.242 659 W CA 0.564 57.924 57.345 0.024 0.000 1.248 659 W CB 0.241 29.645 29.460 -0.094 0.000 1.118 659 W HN 0.736 nan 8.180 nan 0.000 0.587 660 E N -0.857 119.517 120.200 0.290 0.000 2.401 660 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 660 E C 1.119 177.861 176.600 0.237 0.000 1.023 660 E CA 0.786 57.281 56.400 0.159 0.000 0.859 660 E CB -0.144 29.540 29.700 -0.026 0.000 0.780 660 E HN 0.385 nan 8.360 nan 0.000 0.523 661 Y N -1.890 118.520 120.300 0.184 0.000 2.497 661 Y HA 0.095 4.645 4.550 -0.000 0.000 0.265 661 Y C 0.680 176.718 175.900 0.230 0.000 1.111 661 Y CA -0.410 57.776 58.100 0.144 0.000 1.288 661 Y CB -0.295 38.197 38.460 0.052 0.000 1.082 661 Y HN 0.004 nan 8.280 nan 0.000 0.536 662 Y N 2.065 122.549 120.300 0.305 0.000 2.340 662 Y HA 0.297 4.847 4.550 -0.000 0.000 0.327 662 Y C 0.324 176.442 175.900 0.363 0.000 1.321 662 Y CA -1.885 56.396 58.100 0.303 0.000 1.433 662 Y CB 0.324 38.988 38.460 0.340 0.000 1.373 662 Y HN 0.197 nan 8.280 nan 0.000 0.538 663 D N -0.740 119.402 120.400 -0.430 0.000 2.344 663 D HA 0.142 4.782 4.640 -0.000 0.000 0.244 663 D C 0.951 177.229 176.300 -0.036 0.000 1.134 663 D CA 0.252 54.063 54.000 -0.315 0.000 0.930 663 D CB 1.023 41.397 40.800 -0.710 0.000 1.175 663 D HN 0.482 nan 8.370 nan 0.000 0.437 664 S N 1.024 116.712 115.700 -0.019 0.000 2.353 664 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 664 S C 1.908 176.525 174.600 0.029 0.000 1.035 664 S CA 1.309 59.543 58.200 0.057 0.000 1.025 664 S CB -1.048 62.196 63.200 0.073 0.000 0.902 664 S HN 0.426 nan 8.310 nan 0.000 0.440 665 V N 0.565 120.438 119.914 -0.069 0.000 2.343 665 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 665 V C 2.294 178.290 176.094 -0.164 0.000 1.051 665 V CA 2.087 64.249 62.300 -0.231 0.000 1.036 665 V CB -1.036 30.509 31.823 -0.463 0.000 0.654 665 V HN 0.607 nan 8.190 nan 0.000 0.451 666 Y N 1.327 121.557 120.300 -0.117 0.000 2.176 666 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 666 Y C 2.721 178.624 175.900 0.006 0.000 1.122 666 Y CA 2.206 60.317 58.100 0.017 0.000 1.128 666 Y CB -0.468 38.183 38.460 0.317 0.000 1.005 666 Y HN 0.218 nan 8.280 nan 0.000 0.509 667 T N 0.244 114.988 114.554 0.317 0.000 2.708 667 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 667 T C 1.511 176.185 174.700 -0.043 0.000 1.037 667 T CA 1.925 64.152 62.100 0.212 0.000 1.146 667 T CB -0.300 68.830 68.868 0.437 0.000 0.865 667 T HN 0.414 nan 8.240 nan 0.000 0.435 668 E N 0.531 120.727 120.200 -0.007 0.000 2.274 668 E HA -0.030 4.319 4.350 -0.000 0.000 0.194 668 E C 2.298 178.770 176.600 -0.213 0.000 0.996 668 E CA 0.294 56.679 56.400 -0.025 0.000 0.840 668 E CB -0.089 29.646 29.700 0.057 0.000 0.772 668 E HN 0.311 nan 8.360 nan 0.000 0.491 669 R N 0.036 120.243 120.500 -0.488 0.000 2.103 669 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 669 R C 1.257 177.025 176.300 -0.886 0.000 1.142 669 R CA 1.689 57.299 56.100 -0.818 0.000 0.960 669 R CB -0.031 29.422 30.300 -1.412 0.000 0.858 669 R HN 0.247 nan 8.270 nan 0.000 0.439 670 Y N -2.342 117.662 120.300 -0.494 0.000 2.524 670 Y HA 0.201 4.751 4.550 -0.000 0.000 0.270 670 Y C 1.722 177.461 175.900 -0.269 0.000 1.094 670 Y CA 0.119 57.943 58.100 -0.461 0.000 1.276 670 Y CB 0.372 38.428 38.460 -0.674 0.000 1.130 670 Y HN -0.033 nan 8.280 nan 0.000 0.536 671 M N -0.423 119.081 119.600 -0.160 0.000 2.308 671 M HA 0.343 4.823 4.480 -0.000 0.000 0.269 671 M C 1.215 177.539 176.300 0.040 0.000 1.040 671 M CA 0.714 55.912 55.300 -0.170 0.000 1.024 671 M CB -0.383 31.912 32.600 -0.508 0.000 1.465 671 M HN 0.358 nan 8.290 nan 0.000 0.517 672 G N 2.078 110.910 108.800 0.053 0.000 2.578 672 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.275 672 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.275 672 G C -0.532 174.499 174.900 0.217 0.000 1.271 672 G CA -0.560 44.605 45.100 0.109 0.000 0.941 672 G HN 0.284 nan 8.290 nan 0.000 0.564 673 L N 2.844 124.169 121.223 0.170 0.000 2.312 673 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 673 L C -1.380 175.503 176.870 0.021 0.000 1.070 673 L CA -1.880 53.018 54.840 0.096 0.000 0.805 673 L CB 1.302 43.383 42.059 0.036 0.000 1.174 673 L HN 0.402 nan 8.230 nan 0.000 0.434 674 P HA 0.104 nan 4.420 nan 0.000 0.226 674 P C -0.683 176.473 177.300 -0.240 0.000 1.783 674 P CA -0.127 62.577 63.100 -0.660 0.000 0.980 674 P CB -0.452 30.549 31.700 -1.164 0.000 1.967 675 T N -2.662 111.840 114.554 -0.085 0.000 2.916 675 T HA 0.501 4.851 4.350 -0.000 0.000 0.292 675 T C -2.390 172.313 174.700 0.004 0.000 1.055 675 T CA -2.440 59.638 62.100 -0.037 0.000 1.009 675 T CB 1.933 70.789 68.868 -0.020 0.000 1.118 675 T HN -0.293 nan 8.240 nan 0.000 0.497 676 P HA -0.003 nan 4.420 nan 0.000 0.220 676 P C 0.994 178.310 177.300 0.026 0.000 1.148 676 P CA 0.890 64.002 63.100 0.021 0.000 0.803 676 P CB 0.095 31.803 31.700 0.013 0.000 0.782 677 E N -1.021 119.191 120.200 0.020 0.000 2.150 677 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 677 E C 1.596 178.215 176.600 0.031 0.000 0.985 677 E CA 1.093 57.505 56.400 0.020 0.000 0.814 677 E CB -0.558 29.149 29.700 0.012 0.000 0.752 677 E HN 0.285 nan 8.360 nan 0.000 0.466 678 D N -0.945 119.480 120.400 0.043 0.000 2.999 678 D HA 0.096 4.736 4.640 -0.000 0.000 0.273 678 D C 0.587 176.945 176.300 0.096 0.000 1.485 678 D CA 0.500 54.537 54.000 0.062 0.000 1.101 678 D CB 0.182 41.022 40.800 0.066 0.000 1.109 678 D HN 0.046 nan 8.370 nan 0.000 0.368 679 N N -0.453 118.333 118.700 0.143 0.000 2.162 679 N HA -0.004 4.736 4.740 -0.000 0.000 0.232 679 N C 1.055 176.761 175.510 0.327 0.000 1.361 679 N CA -0.052 53.134 53.050 0.226 0.000 0.786 679 N CB 0.876 39.520 38.487 0.261 0.000 1.290 679 N HN -0.041 nan 8.380 nan 0.000 0.505 680 L N 1.573 122.913 121.223 0.195 0.000 2.043 680 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 680 L C 1.494 178.473 176.870 0.183 0.000 1.075 680 L CA 2.062 56.992 54.840 0.150 0.000 0.752 680 L CB -0.372 41.713 42.059 0.044 0.000 0.891 680 L HN 0.147 nan 8.230 nan 0.000 0.432 681 D N -1.558 118.933 120.400 0.152 0.000 2.106 681 D HA -0.264 4.376 4.640 -0.000 0.000 0.191 681 D C 2.121 178.526 176.300 0.175 0.000 0.997 681 D CA 1.848 55.928 54.000 0.134 0.000 0.834 681 D CB -0.229 40.636 40.800 0.109 0.000 0.956 681 D HN 0.557 nan 8.370 nan 0.000 0.448 682 H N -1.008 118.125 119.070 0.104 0.000 2.462 682 H HA -0.037 4.519 4.556 -0.000 0.000 0.292 682 H C 1.686 177.073 175.328 0.097 0.000 1.049 682 H CA 1.081 57.170 56.048 0.069 0.000 1.334 682 H CB -0.321 29.450 29.762 0.014 0.000 1.404 682 H HN 0.159 nan 8.280 nan 0.000 0.544 683 Y N 0.453 120.735 120.300 -0.031 0.000 2.114 683 Y HA -0.225 4.325 4.550 -0.000 0.000 0.282 683 Y C 2.422 178.287 175.900 -0.057 0.000 1.165 683 Y CA 1.722 59.805 58.100 -0.029 0.000 1.148 683 Y CB 0.090 38.566 38.460 0.027 0.000 0.972 683 Y HN 0.147 nan 8.280 nan 0.000 0.504 684 R N -0.474 120.103 120.500 0.129 0.000 2.153 684 R HA -0.072 4.267 4.340 -0.000 0.000 0.218 684 R C 1.594 177.899 176.300 0.009 0.000 1.072 684 R CA 0.944 57.074 56.100 0.050 0.000 0.990 684 R CB -0.812 29.518 30.300 0.050 0.000 0.889 684 R HN 0.343 nan 8.270 nan 0.000 0.452 685 N N 0.551 119.250 118.700 -0.002 0.000 2.396 685 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 685 N C 0.767 176.251 175.510 -0.043 0.000 1.028 685 N CA 1.036 54.090 53.050 0.005 0.000 0.893 685 N CB 0.172 38.725 38.487 0.110 0.000 0.967 685 N HN 0.153 nan 8.380 nan 0.000 0.440 686 S N -1.293 114.328 115.700 -0.131 0.000 2.574 686 S HA 0.114 4.584 4.470 -0.000 0.000 0.242 686 S C 0.358 174.978 174.600 0.035 0.000 0.982 686 S CA -0.691 57.473 58.200 -0.060 0.000 0.977 686 S CB -0.662 62.438 63.200 -0.166 0.000 0.814 686 S HN 0.194 nan 8.310 nan 0.000 0.464 687 T N -1.064 113.477 114.554 -0.023 0.000 2.897 687 T HA 0.457 4.807 4.350 -0.000 0.000 0.294 687 T C 1.395 176.065 174.700 -0.049 0.000 1.004 687 T CA -0.588 61.480 62.100 -0.052 0.000 1.106 687 T CB 1.302 70.119 68.868 -0.084 0.000 0.949 687 T HN -0.021 nan 8.240 nan 0.000 0.520 688 V N 3.378 123.254 119.914 -0.063 0.000 2.295 688 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 688 V C 2.771 178.825 176.094 -0.067 0.000 1.049 688 V CA 2.156 64.411 62.300 -0.074 0.000 1.024 688 V CB -0.876 30.892 31.823 -0.093 0.000 0.648 688 V HN 0.932 nan 8.190 nan 0.000 0.447 689 M N 1.147 120.690 119.600 -0.094 0.000 2.358 689 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 689 M C 2.166 178.433 176.300 -0.056 0.000 1.064 689 M CA 2.037 57.275 55.300 -0.103 0.000 1.093 689 M CB -1.868 30.677 32.600 -0.093 0.000 1.401 689 M HN 0.557 nan 8.290 nan 0.000 0.440 690 S N 0.373 116.052 115.700 -0.035 0.000 2.603 690 S HA 0.022 4.492 4.470 -0.000 0.000 0.229 690 S C 1.667 176.268 174.600 0.002 0.000 0.972 690 S CA 0.278 58.468 58.200 -0.016 0.000 0.935 690 S CB -0.318 62.873 63.200 -0.015 0.000 0.769 690 S HN 0.625 nan 8.310 nan 0.000 0.536 691 R N -0.259 120.256 120.500 0.025 0.000 2.508 691 R HA 0.496 4.836 4.340 -0.000 0.000 0.300 691 R C 2.096 178.503 176.300 0.179 0.000 0.970 691 R CA 0.485 56.626 56.100 0.068 0.000 1.102 691 R CB -0.077 30.256 30.300 0.054 0.000 1.246 691 R HN 0.398 nan 8.270 nan 0.000 0.539 692 A N 1.386 124.263 122.820 0.095 0.000 1.915 692 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 692 A C 1.935 179.610 177.584 0.152 0.000 1.198 692 A CA 2.103 54.168 52.037 0.047 0.000 0.647 692 A CB -0.335 18.613 19.000 -0.087 0.000 0.825 692 A HN 0.303 nan 8.150 nan 0.000 0.456 693 E N 0.202 120.455 120.200 0.089 0.000 2.065 693 E HA -0.232 4.118 4.350 -0.000 0.000 0.201 693 E C 1.679 178.331 176.600 0.086 0.000 1.016 693 E CA 2.054 58.497 56.400 0.072 0.000 0.818 693 E CB -0.478 29.246 29.700 0.039 0.000 0.749 693 E HN 0.798 nan 8.360 nan 0.000 0.453 694 N N -1.240 117.497 118.700 0.062 0.000 2.519 694 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 694 N C 0.914 176.378 175.510 -0.077 0.000 1.062 694 N CA 0.349 53.384 53.050 -0.025 0.000 0.910 694 N CB -0.133 38.292 38.487 -0.102 0.000 0.958 694 N HN 0.138 nan 8.380 nan 0.000 0.445 695 F N 1.323 121.223 119.950 -0.083 0.000 2.604 695 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 695 F C 1.881 177.680 175.800 -0.002 0.000 1.131 695 F CA 0.603 58.548 58.000 -0.092 0.000 1.457 695 F CB 0.029 38.917 39.000 -0.186 0.000 1.095 695 F HN -0.078 nan 8.300 nan 0.000 0.574 696 K N -0.276 120.219 120.400 0.158 0.000 2.218 696 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 696 K C 1.599 178.259 176.600 0.099 0.000 1.046 696 K CA 1.032 57.393 56.287 0.123 0.000 0.933 696 K CB -0.136 32.416 32.500 0.086 0.000 0.728 696 K HN 0.246 nan 8.250 nan 0.000 0.454 697 Q N 0.040 119.877 119.800 0.061 0.000 2.360 697 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 697 Q C 0.452 176.492 176.000 0.067 0.000 0.915 697 Q CA 0.278 56.110 55.803 0.048 0.000 0.943 697 Q CB 0.651 29.398 28.738 0.016 0.000 1.064 697 Q HN 0.214 nan 8.270 nan 0.000 0.511 698 V N -2.866 117.102 119.914 0.091 0.000 2.962 698 V HA 0.535 4.655 4.120 -0.000 0.000 0.313 698 V C -0.652 175.588 176.094 0.244 0.000 1.099 698 V CA -1.215 61.169 62.300 0.139 0.000 0.971 698 V CB 2.442 34.311 31.823 0.077 0.000 1.028 698 V HN -0.069 nan 8.190 nan 0.000 0.430 699 E N 2.157 122.530 120.200 0.288 0.000 2.229 699 E HA 0.436 4.786 4.350 -0.000 0.000 0.283 699 E C -1.754 175.208 176.600 0.604 0.000 1.030 699 E CA -0.256 56.387 56.400 0.406 0.000 0.836 699 E CB 1.425 31.307 29.700 0.303 0.000 1.068 699 E HN 0.702 nan 8.360 nan 0.000 0.401 700 Y N 3.605 124.161 120.300 0.426 0.000 2.373 700 Y HA 0.363 4.913 4.550 -0.000 0.000 0.336 700 Y C -1.609 174.380 175.900 0.148 0.000 0.979 700 Y CA -1.062 57.228 58.100 0.316 0.000 1.080 700 Y CB 0.934 39.616 38.460 0.369 0.000 1.190 700 Y HN 0.425 nan 8.280 nan 0.000 0.446 701 L N 7.979 128.909 121.223 -0.488 0.000 2.298 701 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 701 L C -1.635 174.797 176.870 -0.730 0.000 1.013 701 L CA -0.751 53.672 54.840 -0.695 0.000 0.824 701 L CB 1.105 42.482 42.059 -1.136 0.000 1.221 701 L HN 0.670 nan 8.230 nan 0.000 0.418 702 L N 6.559 127.456 121.223 -0.544 0.000 2.313 702 L HA 0.602 4.942 4.340 -0.000 0.000 0.283 702 L C -0.928 175.834 176.870 -0.181 0.000 1.013 702 L CA -0.518 54.062 54.840 -0.432 0.000 0.816 702 L CB 1.835 43.711 42.059 -0.306 0.000 1.236 702 L HN 0.615 nan 8.230 nan 0.000 0.419 703 I N 3.753 124.229 120.570 -0.158 0.000 2.686 703 I HA 0.508 4.678 4.170 -0.000 0.000 0.295 703 I C -1.049 175.067 176.117 -0.002 0.000 1.114 703 I CA -0.748 60.505 61.300 -0.078 0.000 1.038 703 I CB 2.285 40.186 38.000 -0.165 0.000 1.238 703 I HN 0.518 nan 8.210 nan 0.000 0.420 704 H N 2.449 121.593 119.070 0.124 0.000 3.123 704 H HA 0.350 4.906 4.556 -0.000 0.000 0.346 704 H C -0.822 174.723 175.328 0.361 0.000 1.138 704 H CA -0.560 55.626 56.048 0.230 0.000 1.273 704 H CB 2.433 32.373 29.762 0.297 0.000 1.926 704 H HN 0.784 nan 8.280 nan 0.000 0.524 705 G N 0.954 110.082 108.800 0.547 0.000 2.390 705 G HA2 0.253 4.213 3.960 -0.000 0.000 0.270 705 G HA3 0.253 4.213 3.960 -0.000 0.000 0.270 705 G C 1.131 176.263 174.900 0.386 0.000 1.211 705 G CA 0.237 45.603 45.100 0.443 0.000 0.842 705 G HN 0.635 nan 8.290 nan 0.000 0.519 706 T N -0.586 114.046 114.554 0.130 0.000 2.951 706 T HA 0.071 4.421 4.350 -0.000 0.000 0.268 706 T C 1.890 176.565 174.700 -0.041 0.000 1.073 706 T CA 1.271 63.289 62.100 -0.136 0.000 1.134 706 T CB 0.122 68.851 68.868 -0.232 0.000 0.884 706 T HN 0.643 nan 8.240 nan 0.000 0.479 707 A N 1.131 124.004 122.820 0.088 0.000 2.411 707 A HA 0.253 4.573 4.320 -0.000 0.000 0.251 707 A C 0.626 178.161 177.584 -0.081 0.000 1.317 707 A CA -0.414 51.666 52.037 0.071 0.000 0.904 707 A CB -0.467 18.847 19.000 0.523 0.000 0.993 707 A HN 0.407 nan 8.150 nan 0.000 0.504 708 D N 1.592 121.969 120.400 -0.038 0.000 2.349 708 D HA -0.024 4.616 4.640 -0.000 0.000 0.266 708 D C 0.322 176.578 176.300 -0.073 0.000 1.293 708 D CA 0.193 54.265 54.000 0.119 0.000 0.926 708 D CB 0.588 41.617 40.800 0.381 0.000 1.090 708 D HN 0.552 nan 8.370 nan 0.000 0.502 709 D N 2.445 122.867 120.400 0.036 0.000 2.323 709 D HA -0.147 4.493 4.640 -0.000 0.000 0.209 709 D C 1.017 177.274 176.300 -0.071 0.000 0.973 709 D CA 0.051 54.041 54.000 -0.017 0.000 0.874 709 D CB 0.417 41.171 40.800 -0.076 0.000 0.930 709 D HN 0.238 nan 8.370 nan 0.000 0.521 710 N N 0.840 119.588 118.700 0.079 0.000 2.433 710 N HA -0.047 4.693 4.740 -0.000 0.000 0.213 710 N C -0.095 175.348 175.510 -0.112 0.000 1.032 710 N CA 0.393 53.547 53.050 0.173 0.000 1.047 710 N CB 0.253 38.859 38.487 0.199 0.000 1.293 710 N HN -0.121 nan 8.380 nan 0.000 0.524 711 V N 2.990 122.831 119.914 -0.123 0.000 2.353 711 V HA 0.177 4.297 4.120 -0.000 0.000 0.264 711 V C -0.426 175.674 176.094 0.010 0.000 1.049 711 V CA -0.320 61.954 62.300 -0.043 0.000 0.896 711 V CB -0.442 31.399 31.823 0.031 0.000 1.025 711 V HN 0.309 nan 8.190 nan 0.000 0.475 712 H N 3.302 122.350 119.070 -0.038 0.000 2.771 712 H HA 0.043 4.599 4.556 -0.000 0.000 0.364 712 H C 0.739 175.914 175.328 -0.256 0.000 1.133 712 H CA -0.142 55.802 56.048 -0.173 0.000 1.423 712 H CB 0.736 30.322 29.762 -0.293 0.000 1.425 712 H HN 0.615 nan 8.280 nan 0.000 0.606 713 F N 1.628 121.376 119.950 -0.337 0.000 2.192 713 F HA -0.294 4.233 4.527 -0.000 0.000 0.301 713 F C 2.544 178.085 175.800 -0.431 0.000 1.079 713 F CA 1.685 59.305 58.000 -0.632 0.000 1.303 713 F CB -0.229 38.560 39.000 -0.351 0.000 1.024 713 F HN 0.670 nan 8.300 nan 0.000 0.494 714 Q N 0.179 119.832 119.800 -0.245 0.000 2.165 714 Q HA -0.366 3.974 4.340 -0.000 0.000 0.215 714 Q C 2.136 177.883 176.000 -0.422 0.000 1.010 714 Q CA 2.744 58.340 55.803 -0.345 0.000 0.896 714 Q CB -0.366 28.150 28.738 -0.371 0.000 0.956 714 Q HN 0.613 nan 8.270 nan 0.000 0.413 715 Q N -0.646 118.962 119.800 -0.321 0.000 2.050 715 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 715 Q C 2.273 178.161 176.000 -0.185 0.000 0.980 715 Q CA 1.663 57.391 55.803 -0.125 0.000 0.840 715 Q CB -0.087 28.659 28.738 0.013 0.000 0.898 715 Q HN 0.323 nan 8.270 nan 0.000 0.424 716 S N 0.882 116.375 115.700 -0.344 0.000 2.428 716 S HA -0.036 4.434 4.470 -0.000 0.000 0.230 716 S C 2.047 176.362 174.600 -0.475 0.000 1.014 716 S CA 0.745 58.733 58.200 -0.353 0.000 0.957 716 S CB -0.115 62.918 63.200 -0.278 0.000 0.784 716 S HN 0.460 nan 8.310 nan 0.000 0.499 717 A N 1.393 123.805 122.820 -0.680 0.000 1.933 717 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 717 A C 2.156 179.601 177.584 -0.232 0.000 1.175 717 A CA 1.116 52.879 52.037 -0.455 0.000 0.628 717 A CB -0.368 18.409 19.000 -0.372 0.000 0.814 717 A HN 0.371 nan 8.150 nan 0.000 0.444 718 Q N -0.430 119.249 119.800 -0.202 0.000 2.137 718 Q HA -0.004 4.336 4.340 -0.000 0.000 0.198 718 Q C 2.173 178.102 176.000 -0.119 0.000 0.960 718 Q CA 0.987 56.731 55.803 -0.098 0.000 0.847 718 Q CB -0.339 28.413 28.738 0.025 0.000 0.915 718 Q HN 0.771 nan 8.270 nan 0.000 0.448 719 I N 1.403 121.876 120.570 -0.162 0.000 2.099 719 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 719 I C 2.619 178.543 176.117 -0.321 0.000 1.066 719 I CA 1.717 62.872 61.300 -0.243 0.000 1.324 719 I CB -0.645 37.215 38.000 -0.233 0.000 1.037 719 I HN 0.206 nan 8.210 nan 0.000 0.401 720 S N 0.752 116.288 115.700 -0.273 0.000 2.383 720 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 720 S C 2.025 176.577 174.600 -0.081 0.000 1.030 720 S CA 1.613 59.687 58.200 -0.210 0.000 1.002 720 S CB -0.441 62.817 63.200 0.096 0.000 0.829 720 S HN 0.396 nan 8.310 nan 0.000 0.467 721 K N 1.591 121.946 120.400 -0.075 0.000 2.001 721 K HA 0.051 4.371 4.320 -0.000 0.000 0.208 721 K C 2.434 179.002 176.600 -0.054 0.000 1.048 721 K CA 1.097 57.364 56.287 -0.034 0.000 0.932 721 K CB -0.759 31.719 32.500 -0.036 0.000 0.715 721 K HN 0.425 nan 8.250 nan 0.000 0.437 722 A N 1.318 124.077 122.820 -0.101 0.000 1.903 722 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 722 A C 2.139 179.652 177.584 -0.119 0.000 1.191 722 A CA 1.779 53.751 52.037 -0.108 0.000 0.638 722 A CB -0.838 18.075 19.000 -0.147 0.000 0.823 722 A HN 0.344 nan 8.150 nan 0.000 0.451 723 L N -0.804 120.294 121.223 -0.207 0.000 2.056 723 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 723 L C 2.554 179.428 176.870 0.008 0.000 1.078 723 L CA 1.037 55.759 54.840 -0.196 0.000 0.749 723 L CB -0.638 41.120 42.059 -0.501 0.000 0.901 723 L HN 0.254 nan 8.230 nan 0.000 0.433 724 V N -0.138 119.823 119.914 0.078 0.000 2.287 724 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 724 V C 1.955 178.083 176.094 0.058 0.000 1.053 724 V CA 1.997 64.368 62.300 0.118 0.000 1.027 724 V CB -0.552 31.345 31.823 0.122 0.000 0.646 724 V HN 0.433 nan 8.190 nan 0.000 0.447 725 D N -0.794 119.621 120.400 0.024 0.000 2.351 725 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 725 D C 1.503 177.813 176.300 0.017 0.000 0.968 725 D CA 0.850 54.859 54.000 0.015 0.000 0.899 725 D CB 0.199 40.999 40.800 0.000 0.000 0.907 725 D HN 0.360 nan 8.370 nan 0.000 0.514 726 V N -1.011 118.915 119.914 0.020 0.000 3.380 726 V HA 0.265 4.385 4.120 -0.000 0.000 0.307 726 V C 1.125 177.246 176.094 0.044 0.000 1.434 726 V CA 0.663 62.977 62.300 0.024 0.000 1.075 726 V CB 0.422 32.252 31.823 0.011 0.000 0.954 726 V HN 0.300 nan 8.190 nan 0.000 0.444 727 G N 0.886 109.721 108.800 0.057 0.000 2.176 727 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.252 727 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.252 727 G C 0.120 175.079 174.900 0.098 0.000 1.024 727 G CA 0.408 45.551 45.100 0.071 0.000 0.755 727 G HN 0.536 nan 8.290 nan 0.000 0.507 728 V N 0.707 120.696 119.914 0.126 0.000 2.383 728 V HA 0.419 4.539 4.120 -0.000 0.000 0.275 728 V C 0.508 176.770 176.094 0.280 0.000 1.036 728 V CA -0.559 61.846 62.300 0.174 0.000 0.889 728 V CB 1.631 33.546 31.823 0.152 0.000 0.985 728 V HN 0.395 nan 8.190 nan 0.000 0.459 729 D N 4.246 124.790 120.400 0.240 0.000 2.345 729 D HA 0.513 5.153 4.640 -0.000 0.000 0.247 729 D C -0.501 176.036 176.300 0.395 0.000 1.108 729 D CA 0.296 54.438 54.000 0.235 0.000 0.894 729 D CB 0.627 41.504 40.800 0.128 0.000 1.203 729 D HN 0.354 nan 8.370 nan 0.000 0.430 730 F N -0.111 119.918 119.950 0.131 0.000 2.831 730 F HA 0.489 5.016 4.527 -0.000 0.000 0.318 730 F C -1.527 174.335 175.800 0.104 0.000 1.174 730 F CA -1.108 56.996 58.000 0.174 0.000 0.918 730 F CB 0.742 39.887 39.000 0.242 0.000 1.364 730 F HN 0.077 nan 8.300 nan 0.000 0.475 731 Q N 1.230 121.094 119.800 0.106 0.000 2.306 731 Q HA 0.819 5.159 4.340 -0.000 0.000 0.265 731 Q C -0.992 174.982 176.000 -0.044 0.000 1.022 731 Q CA -0.849 54.919 55.803 -0.058 0.000 0.853 731 Q CB 2.208 30.957 28.738 0.018 0.000 1.327 731 Q HN 1.056 nan 8.270 nan 0.000 0.449 732 A N 1.754 124.515 122.820 -0.100 0.000 2.539 732 A HA 0.847 5.167 4.320 -0.000 0.000 0.296 732 A C -1.347 176.163 177.584 -0.124 0.000 1.073 732 A CA -0.564 51.454 52.037 -0.032 0.000 0.700 732 A CB 1.944 20.989 19.000 0.075 0.000 1.296 732 A HN 0.616 nan 8.150 nan 0.000 0.405 733 M N 1.507 121.022 119.600 -0.141 0.000 2.277 733 M HA 0.624 5.104 4.480 -0.000 0.000 0.282 733 M C -1.948 174.225 176.300 -0.211 0.000 1.074 733 M CA -0.647 54.426 55.300 -0.379 0.000 0.954 733 M CB 1.289 33.551 32.600 -0.564 0.000 1.672 733 M HN 0.933 nan 8.290 nan 0.000 0.471 734 W N 4.283 125.391 121.300 -0.321 0.000 2.578 734 W HA 0.780 5.440 4.660 -0.000 0.000 0.346 734 W C -2.111 174.101 176.519 -0.511 0.000 1.075 734 W CA -0.859 56.353 57.345 -0.220 0.000 1.233 734 W CB 0.469 29.831 29.460 -0.164 0.000 1.358 734 W HN 0.602 nan 8.180 nan 0.000 0.574 735 Y N 2.494 122.892 120.300 0.162 0.000 2.447 735 Y HA 0.291 4.841 4.550 -0.000 0.000 0.325 735 Y C 0.788 176.768 175.900 0.133 0.000 0.976 735 Y CA -1.136 56.989 58.100 0.041 0.000 1.280 735 Y CB 1.430 39.895 38.460 0.007 0.000 1.104 735 Y HN 0.622 nan 8.280 nan 0.000 0.486 736 T N 1.582 116.277 114.554 0.236 0.000 2.853 736 T HA 0.115 4.465 4.350 -0.000 0.000 0.298 736 T C 0.427 175.172 174.700 0.075 0.000 0.978 736 T CA 0.341 62.512 62.100 0.118 0.000 1.152 736 T CB 0.133 68.985 68.868 -0.026 0.000 0.914 736 T HN 0.791 nan 8.240 nan 0.000 0.539 737 D N 0.960 121.389 120.400 0.048 0.000 2.946 737 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 737 D C -0.084 176.354 176.300 0.230 0.000 1.068 737 D CA 1.124 55.093 54.000 -0.051 0.000 1.011 737 D CB -0.711 39.829 40.800 -0.434 0.000 1.105 737 D HN 0.703 nan 8.370 nan 0.000 0.425 738 E N 1.127 121.472 120.200 0.240 0.000 2.301 738 E HA 0.297 4.647 4.350 -0.000 0.000 0.275 738 E C 0.773 177.560 176.600 0.313 0.000 1.030 738 E CA -0.199 56.366 56.400 0.274 0.000 0.852 738 E CB 1.223 31.070 29.700 0.246 0.000 1.060 738 E HN 0.360 nan 8.360 nan 0.000 0.401 739 D N 0.200 120.800 120.400 0.334 0.000 2.541 739 D HA -0.004 4.636 4.640 -0.000 0.000 0.276 739 D C 1.037 177.585 176.300 0.413 0.000 1.190 739 D CA -0.242 53.978 54.000 0.367 0.000 1.095 739 D CB -0.178 40.862 40.800 0.400 0.000 1.173 739 D HN 0.405 nan 8.370 nan 0.000 0.604 740 H N -1.479 117.789 119.070 0.330 0.000 2.491 740 H HA 0.135 4.691 4.556 -0.000 0.000 0.290 740 H C 1.850 177.459 175.328 0.467 0.000 1.050 740 H CA 1.937 58.212 56.048 0.378 0.000 1.309 740 H CB -0.357 29.608 29.762 0.337 0.000 1.392 740 H HN 0.493 nan 8.280 nan 0.000 0.554 741 G N -0.254 108.735 108.800 0.316 0.000 2.683 741 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.213 741 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.213 741 G C 0.633 175.716 174.900 0.305 0.000 1.142 741 G CA 0.245 45.433 45.100 0.147 0.000 0.793 741 G HN 0.498 nan 8.290 nan 0.000 0.534 742 I N 0.260 121.069 120.570 0.399 0.000 3.815 742 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 742 I C 1.524 177.793 176.117 0.254 0.000 1.050 742 I CA 0.168 61.648 61.300 0.300 0.000 2.736 742 I CB -1.013 37.138 38.000 0.251 0.000 1.417 742 I HN 0.241 nan 8.210 nan 0.000 0.341 743 A N 1.608 124.542 122.820 0.191 0.000 2.431 743 A HA 0.279 4.599 4.320 -0.000 0.000 0.239 743 A C 1.129 178.770 177.584 0.095 0.000 1.230 743 A CA 0.528 52.644 52.037 0.133 0.000 0.928 743 A CB 0.217 19.260 19.000 0.072 0.000 1.006 743 A HN 0.632 nan 8.150 nan 0.000 0.520 744 S N -0.005 115.763 115.700 0.115 0.000 2.560 744 S HA 0.173 4.643 4.470 -0.000 0.000 0.284 744 S C 1.237 175.893 174.600 0.093 0.000 1.327 744 S CA 0.378 58.634 58.200 0.094 0.000 1.055 744 S CB 1.143 64.406 63.200 0.105 0.000 0.868 744 S HN 0.622 nan 8.310 nan 0.000 0.506 745 S N 2.645 118.383 115.700 0.062 0.000 2.372 745 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 745 S C 2.044 176.703 174.600 0.098 0.000 1.044 745 S CA 2.423 60.660 58.200 0.060 0.000 1.050 745 S CB -1.641 61.576 63.200 0.027 0.000 0.901 745 S HN 1.075 nan 8.310 nan 0.000 0.447 746 T N -0.315 114.288 114.554 0.082 0.000 2.770 746 T HA 0.196 4.546 4.350 -0.000 0.000 0.263 746 T C 2.038 176.796 174.700 0.097 0.000 1.039 746 T CA 1.332 63.484 62.100 0.086 0.000 1.142 746 T CB -1.047 67.862 68.868 0.069 0.000 0.868 746 T HN 0.510 nan 8.240 nan 0.000 0.435 747 A N 1.487 124.342 122.820 0.058 0.000 1.898 747 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 747 A C 2.203 179.741 177.584 -0.078 0.000 1.181 747 A CA 2.049 54.046 52.037 -0.066 0.000 0.620 747 A CB -1.351 17.569 19.000 -0.134 0.000 0.819 747 A HN 0.767 nan 8.150 nan 0.000 0.442 748 H N -0.127 118.932 119.070 -0.018 0.000 2.353 748 H HA -0.190 4.366 4.556 -0.000 0.000 0.298 748 H C 2.106 177.514 175.328 0.134 0.000 1.103 748 H CA 2.476 58.574 56.048 0.083 0.000 1.293 748 H CB -0.134 29.674 29.762 0.078 0.000 1.372 748 H HN 0.606 nan 8.280 nan 0.000 0.501 749 Q N -1.234 118.609 119.800 0.073 0.000 2.123 749 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 749 Q C 2.214 178.226 176.000 0.020 0.000 0.966 749 Q CA 1.083 56.893 55.803 0.012 0.000 0.845 749 Q CB -0.129 28.640 28.738 0.051 0.000 0.907 749 Q HN 0.623 nan 8.270 nan 0.000 0.439 750 H N 0.917 119.975 119.070 -0.020 0.000 2.353 750 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 750 H C 2.034 177.375 175.328 0.022 0.000 1.090 750 H CA 1.399 57.468 56.048 0.034 0.000 1.327 750 H CB -0.024 29.806 29.762 0.113 0.000 1.383 750 H HN 0.276 nan 8.280 nan 0.000 0.508 751 I N 0.122 120.684 120.570 -0.013 0.000 2.179 751 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 751 I C 1.836 177.752 176.117 -0.335 0.000 1.088 751 I CA 1.349 62.551 61.300 -0.164 0.000 1.357 751 I CB -0.274 37.443 38.000 -0.473 0.000 1.051 751 I HN 0.156 nan 8.210 nan 0.000 0.409 752 Y N 0.873 120.963 120.300 -0.351 0.000 2.293 752 Y HA -0.203 4.347 4.550 -0.000 0.000 0.291 752 Y C 2.700 178.414 175.900 -0.311 0.000 1.137 752 Y CA 1.791 59.577 58.100 -0.524 0.000 1.202 752 Y CB -0.882 37.276 38.460 -0.503 0.000 0.990 752 Y HN 0.162 nan 8.280 nan 0.000 0.537 753 T N -1.569 112.934 114.554 -0.085 0.000 2.720 753 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 753 T C 1.537 176.151 174.700 -0.143 0.000 1.037 753 T CA 2.042 64.055 62.100 -0.145 0.000 1.144 753 T CB -0.454 68.328 68.868 -0.143 0.000 0.864 753 T HN 0.449 nan 8.240 nan 0.000 0.444 754 H N 0.373 119.348 119.070 -0.159 0.000 2.395 754 H HA 0.212 4.768 4.556 -0.000 0.000 0.299 754 H C 2.147 177.463 175.328 -0.020 0.000 1.070 754 H CA 1.191 57.207 56.048 -0.053 0.000 1.356 754 H CB -0.153 29.571 29.762 -0.063 0.000 1.401 754 H HN 0.248 nan 8.280 nan 0.000 0.524 755 M N -0.931 118.611 119.600 -0.097 0.000 2.200 755 M HA -0.127 4.352 4.480 -0.000 0.000 0.265 755 M C 2.349 178.753 176.300 0.173 0.000 1.066 755 M CA 1.163 56.392 55.300 -0.118 0.000 1.127 755 M CB 0.142 32.386 32.600 -0.593 0.000 1.379 755 M HN 0.187 nan 8.290 nan 0.000 0.420 756 S N -0.448 115.373 115.700 0.201 0.000 2.351 756 S HA -0.174 4.296 4.470 -0.000 0.000 0.220 756 S C 1.733 176.419 174.600 0.143 0.000 1.035 756 S CA 1.144 59.544 58.200 0.333 0.000 1.031 756 S CB -0.648 62.708 63.200 0.260 0.000 0.928 756 S HN 0.462 nan 8.310 nan 0.000 0.433 757 H N -0.105 119.019 119.070 0.089 0.000 2.353 757 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 757 H C 1.994 177.321 175.328 -0.002 0.000 1.103 757 H CA 1.544 57.598 56.048 0.010 0.000 1.293 757 H CB -0.768 28.945 29.762 -0.081 0.000 1.372 757 H HN 0.453 nan 8.280 nan 0.000 0.501 758 F N 1.187 121.120 119.950 -0.029 0.000 2.084 758 F HA -0.178 4.348 4.527 -0.000 0.000 0.296 758 F C 2.375 178.130 175.800 -0.075 0.000 1.111 758 F CA 0.872 58.828 58.000 -0.074 0.000 1.224 758 F CB -0.374 38.562 39.000 -0.107 0.000 0.991 758 F HN -0.067 nan 8.300 nan 0.000 0.471 759 I N 1.885 122.495 120.570 0.067 0.000 2.118 759 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 759 I C 2.382 178.294 176.117 -0.341 0.000 1.070 759 I CA 2.112 63.284 61.300 -0.213 0.000 1.327 759 I CB -1.511 36.460 38.000 -0.049 0.000 1.034 759 I HN 0.342 nan 8.210 nan 0.000 0.405 760 K N 0.648 120.999 120.400 -0.082 0.000 2.148 760 K HA -0.208 4.112 4.320 -0.000 0.000 0.204 760 K C 1.936 178.528 176.600 -0.014 0.000 1.050 760 K CA 0.964 57.257 56.287 0.009 0.000 0.942 760 K CB -0.596 31.957 32.500 0.090 0.000 0.724 760 K HN 0.390 nan 8.250 nan 0.000 0.446 761 Q N 1.922 121.674 119.800 -0.080 0.000 2.061 761 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 761 Q C 2.196 178.096 176.000 -0.167 0.000 0.984 761 Q CA 2.101 57.835 55.803 -0.115 0.000 0.846 761 Q CB -0.514 28.136 28.738 -0.148 0.000 0.902 761 Q HN 0.485 nan 8.270 nan 0.000 0.421 762 c N 0.043 118.435 118.600 -0.347 0.000 2.432 762 c HA -0.041 4.528 4.570 -0.000 0.000 0.280 762 c C 2.198 176.320 174.090 0.053 0.000 1.353 762 c CA 0.265 56.417 56.329 -0.295 0.000 1.766 762 c CB -1.300 40.871 42.510 -0.564 0.000 1.924 762 c HN 0.555 nan 8.230 nan 0.000 0.509 763 F N 0.966 120.877 119.950 -0.064 0.000 2.714 763 F HA 0.327 4.854 4.527 -0.000 0.000 0.294 763 F C 1.632 177.420 175.800 -0.020 0.000 1.120 763 F CA -0.021 57.965 58.000 -0.024 0.000 1.398 763 F CB -0.760 38.235 39.000 -0.008 0.000 1.120 763 F HN 0.124 nan 8.300 nan 0.000 0.589 764 S N 0.000 115.792 115.700 0.154 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.250 58.200 0.083 0.000 1.107 764 S CB 0.000 63.240 63.200 0.066 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517