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 2fjp_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 IKQcFSLP 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.744 174.700 0.074 0.000 1.109 39 T CA 0.000 62.134 62.100 0.056 0.000 1.349 39 T CB 0.000 68.896 68.868 0.046 0.000 0.612 40 R N 1.838 122.381 120.500 0.071 0.000 1.558 40 R HA -0.115 4.223 4.340 -0.004 0.000 0.397 40 R C -0.141 176.213 176.300 0.089 0.000 1.289 40 R CA 0.426 56.573 56.100 0.079 0.000 1.129 40 R CB -0.487 29.861 30.300 0.080 0.000 3.317 40 R HN 0.808 nan 8.270 nan 0.000 0.487 41 K N 0.852 121.311 120.400 0.098 0.000 2.397 41 K HA 0.153 4.471 4.320 -0.004 0.000 0.265 41 K C 0.508 177.182 176.600 0.123 0.000 0.982 41 K CA 0.333 56.688 56.287 0.113 0.000 0.931 41 K CB 0.454 33.034 32.500 0.134 0.000 0.943 41 K HN 0.563 nan 8.250 nan 0.000 0.501 42 T N -1.598 113.037 114.554 0.135 0.000 2.923 42 T HA 0.144 4.492 4.350 -0.004 0.000 0.281 42 T C -0.697 174.138 174.700 0.224 0.000 0.995 42 T CA -0.820 61.371 62.100 0.151 0.000 0.985 42 T CB 0.527 69.475 68.868 0.134 0.000 1.114 42 T HN 0.536 nan 8.240 nan 0.000 0.548 43 Y N 2.546 122.918 120.300 0.120 0.000 2.539 43 Y HA 0.375 4.923 4.550 -0.004 0.000 0.352 43 Y C 0.920 176.991 175.900 0.284 0.000 1.004 43 Y CA -0.403 57.813 58.100 0.193 0.000 1.278 43 Y CB -0.303 38.227 38.460 0.116 0.000 1.136 43 Y HN 1.004 nan 8.280 nan 0.000 0.528 44 T N 2.116 116.669 114.554 -0.002 0.000 2.862 44 T HA 0.156 4.503 4.350 -0.004 0.000 0.276 44 T C 0.973 175.538 174.700 -0.225 0.000 0.974 44 T CA -0.737 61.410 62.100 0.078 0.000 0.966 44 T CB 1.191 70.069 68.868 0.017 0.000 1.072 44 T HN 0.650 nan 8.240 nan 0.000 0.538 45 L N 0.872 121.760 121.223 -0.559 0.000 2.046 45 L HA 0.011 4.349 4.340 -0.004 0.000 0.208 45 L C 2.691 179.393 176.870 -0.280 0.000 1.077 45 L CA 2.161 56.572 54.840 -0.714 0.000 0.747 45 L CB -1.402 40.138 42.059 -0.866 0.000 0.896 45 L HN 0.966 nan 8.230 nan 0.000 0.432 46 T N -0.844 113.575 114.554 -0.224 0.000 2.788 46 T HA -0.172 4.176 4.350 -0.004 0.000 0.268 46 T C 1.527 176.125 174.700 -0.170 0.000 1.044 46 T CA 1.416 63.421 62.100 -0.157 0.000 1.139 46 T CB -0.415 68.383 68.868 -0.117 0.000 0.867 46 T HN 0.374 nan 8.240 nan 0.000 0.454 47 D N 0.104 120.365 120.400 -0.232 0.000 2.123 47 D HA -0.091 4.547 4.640 -0.004 0.000 0.196 47 D C 1.759 177.951 176.300 -0.181 0.000 0.992 47 D CA 1.062 54.890 54.000 -0.287 0.000 0.833 47 D CB -0.347 40.194 40.800 -0.431 0.000 0.954 47 D HN 0.425 nan 8.370 nan 0.000 0.455 48 Y N 1.533 121.639 120.300 -0.323 0.000 2.133 48 Y HA -0.103 4.445 4.550 -0.003 0.000 0.287 48 Y C 2.235 178.142 175.900 0.011 0.000 1.134 48 Y CA 1.262 59.350 58.100 -0.021 0.000 1.133 48 Y CB -0.665 37.837 38.460 0.070 0.000 0.987 48 Y HN -0.110 nan 8.280 nan 0.000 0.502 49 L N 0.017 121.072 121.223 -0.281 0.000 2.083 49 L HA -0.190 4.148 4.340 -0.004 0.000 0.209 49 L C 2.130 178.896 176.870 -0.175 0.000 1.083 49 L CA 1.381 56.039 54.840 -0.303 0.000 0.752 49 L CB -0.521 41.432 42.059 -0.176 0.000 0.899 49 L HN 0.090 nan 8.230 nan 0.000 0.433 50 K N -0.181 120.137 120.400 -0.137 0.000 2.400 50 K HA 0.015 4.333 4.320 -0.004 0.000 0.194 50 K C 0.310 176.855 176.600 -0.092 0.000 1.033 50 K CA 0.058 56.284 56.287 -0.102 0.000 1.021 50 K CB -0.420 32.021 32.500 -0.099 0.000 0.808 50 K HN 0.333 nan 8.250 nan 0.000 0.505 51 N N 1.536 120.186 118.700 -0.083 0.000 2.756 51 N HA -0.218 4.520 4.740 -0.004 0.000 0.248 51 N C 0.710 176.198 175.510 -0.037 0.000 1.062 51 N CA 0.434 53.474 53.050 -0.018 0.000 0.696 51 N CB -0.529 37.943 38.487 -0.025 0.000 0.946 51 N HN 0.367 nan 8.380 nan 0.000 0.548 52 T N -2.118 112.356 114.554 -0.132 0.000 2.777 52 T HA -0.149 4.199 4.350 -0.004 0.000 0.266 52 T C 0.679 175.226 174.700 -0.255 0.000 1.040 52 T CA 1.104 63.036 62.100 -0.280 0.000 1.141 52 T CB -0.197 68.355 68.868 -0.527 0.000 0.868 52 T HN 0.322 nan 8.240 nan 0.000 0.444 53 Y N 2.508 122.899 120.300 0.152 0.000 2.595 53 Y HA 0.559 5.107 4.550 -0.003 0.000 0.347 53 Y C 0.731 176.733 175.900 0.171 0.000 1.025 53 Y CA -1.384 56.827 58.100 0.185 0.000 1.295 53 Y CB 0.052 38.682 38.460 0.285 0.000 1.147 53 Y HN 0.149 nan 8.280 nan 0.000 0.515 54 R N 2.227 122.865 120.500 0.231 0.000 2.410 54 R HA 0.481 4.819 4.340 -0.004 0.000 0.288 54 R C -1.247 175.163 176.300 0.184 0.000 1.051 54 R CA -0.857 55.346 56.100 0.173 0.000 1.021 54 R CB 0.605 30.967 30.300 0.104 0.000 1.032 54 R HN 0.528 nan 8.270 nan 0.000 0.481 55 L N 4.007 125.334 121.223 0.173 0.000 2.264 55 L HA 0.336 4.673 4.340 -0.004 0.000 0.289 55 L C -0.455 176.502 176.870 0.145 0.000 1.044 55 L CA 0.203 55.151 54.840 0.181 0.000 0.807 55 L CB 1.107 43.287 42.059 0.201 0.000 1.192 55 L HN 0.535 nan 8.230 nan 0.000 0.425 56 K N 4.293 124.778 120.400 0.142 0.000 2.118 56 K HA 0.692 5.010 4.320 -0.004 0.000 0.264 56 K C -0.908 175.759 176.600 0.113 0.000 1.000 56 K CA -0.625 55.725 56.287 0.106 0.000 0.929 56 K CB 1.319 33.876 32.500 0.095 0.000 1.021 56 K HN 0.436 nan 8.250 nan 0.000 0.463 57 L N -0.989 120.220 121.223 -0.023 0.000 2.301 57 L HA 0.550 4.888 4.340 -0.004 0.000 0.249 57 L C -1.203 175.397 176.870 -0.450 0.000 1.069 57 L CA -0.978 53.670 54.840 -0.319 0.000 0.865 57 L CB 0.460 42.464 42.059 -0.093 0.000 1.467 57 L HN 0.517 nan 8.230 nan 0.000 0.419 58 Y N -0.007 119.695 120.300 -0.996 0.000 2.609 58 Y HA 0.632 5.180 4.550 -0.003 0.000 0.350 58 Y C -0.831 174.853 175.900 -0.360 0.000 1.050 58 Y CA -0.421 57.332 58.100 -0.578 0.000 1.290 58 Y CB 1.256 39.268 38.460 -0.747 0.000 1.094 58 Y HN 0.647 nan 8.280 nan 0.000 0.583 59 S N 6.219 121.830 115.700 -0.148 0.000 2.416 59 S HA 0.503 4.971 4.470 -0.004 0.000 0.287 59 S C -0.605 173.956 174.600 -0.066 0.000 1.139 59 S CA -0.538 57.621 58.200 -0.068 0.000 1.058 59 S CB -0.211 62.965 63.200 -0.040 0.000 0.967 59 S HN 0.555 nan 8.310 nan 0.000 0.495 60 L N 1.522 122.656 121.223 -0.148 0.000 2.313 60 L HA 0.785 5.123 4.340 -0.004 0.000 0.268 60 L C -0.249 176.503 176.870 -0.198 0.000 1.010 60 L CA -0.969 53.723 54.840 -0.247 0.000 0.814 60 L CB 0.762 42.342 42.059 -0.798 0.000 1.304 60 L HN 0.340 nan 8.230 nan 0.000 0.441 61 R N 0.658 121.087 120.500 -0.118 0.000 2.468 61 R HA 0.346 4.684 4.340 -0.004 0.000 0.302 61 R C -1.750 174.580 176.300 0.049 0.000 1.041 61 R CA -0.276 55.817 56.100 -0.012 0.000 0.899 61 R CB 1.076 31.410 30.300 0.056 0.000 1.167 61 R HN 0.669 nan 8.270 nan 0.000 0.483 62 W N 4.585 125.986 121.300 0.168 0.000 2.381 62 W HA 0.087 4.745 4.660 -0.003 0.000 0.321 62 W C 1.581 178.186 176.519 0.144 0.000 1.407 62 W CA -0.373 57.088 57.345 0.194 0.000 1.274 62 W CB 0.418 29.983 29.460 0.174 0.000 1.310 62 W HN 0.667 nan 8.180 nan 0.000 0.551 63 I N 0.465 121.258 120.570 0.371 0.000 4.070 63 I HA 0.250 4.418 4.170 -0.004 0.000 0.328 63 I C 0.807 177.040 176.117 0.194 0.000 1.298 63 I CA 0.049 61.480 61.300 0.218 0.000 1.173 63 I CB -0.048 38.029 38.000 0.129 0.000 1.051 63 I HN 0.259 nan 8.210 nan 0.000 0.409 64 S N -0.482 115.365 115.700 0.244 0.000 3.070 64 S HA 0.302 4.770 4.470 -0.004 0.000 0.320 64 S C 0.015 174.651 174.600 0.059 0.000 1.215 64 S CA -0.092 58.171 58.200 0.105 0.000 0.956 64 S CB 1.171 64.397 63.200 0.043 0.000 1.337 64 S HN 0.071 nan 8.310 nan 0.000 0.639 65 D N 0.043 120.335 120.400 -0.180 0.000 2.349 65 D HA 0.157 4.795 4.640 -0.004 0.000 0.215 65 D C 0.904 177.173 176.300 -0.052 0.000 1.016 65 D CA 0.945 54.824 54.000 -0.202 0.000 0.870 65 D CB -0.028 40.631 40.800 -0.235 0.000 0.917 65 D HN 0.693 nan 8.370 nan 0.000 0.524 66 H N -2.519 116.763 119.070 0.353 0.000 3.334 66 H HA 0.390 4.944 4.556 -0.004 0.000 0.256 66 H C -0.440 175.077 175.328 0.315 0.000 1.162 66 H CA -0.384 55.904 56.048 0.399 0.000 1.030 66 H CB 0.240 30.228 29.762 0.376 0.000 2.151 66 H HN -0.001 nan 8.280 nan 0.000 0.742 67 E N 1.443 121.939 120.200 0.493 0.000 2.317 67 E HA 0.373 4.721 4.350 -0.004 0.000 0.270 67 E C -1.576 175.249 176.600 0.375 0.000 0.885 67 E CA -1.109 55.481 56.400 0.318 0.000 0.760 67 E CB 3.181 33.029 29.700 0.246 0.000 1.227 67 E HN 0.290 nan 8.360 nan 0.000 0.434 68 Y N -0.453 119.919 120.300 0.119 0.000 2.588 68 Y HA 0.611 5.159 4.550 -0.004 0.000 0.343 68 Y C -1.628 174.295 175.900 0.037 0.000 1.065 68 Y CA -1.287 56.773 58.100 -0.066 0.000 1.038 68 Y CB 0.760 38.846 38.460 -0.624 0.000 1.297 68 Y HN 0.346 nan 8.280 nan 0.000 0.467 69 L N 2.670 124.081 121.223 0.312 0.000 2.360 69 L HA 0.555 4.893 4.340 -0.004 0.000 0.271 69 L C -1.306 175.818 176.870 0.424 0.000 1.057 69 L CA -1.050 53.946 54.840 0.260 0.000 0.803 69 L CB 1.649 43.759 42.059 0.085 0.000 1.207 69 L HN 0.798 nan 8.230 nan 0.000 0.445 70 Y N 1.487 121.914 120.300 0.213 0.000 2.480 70 Y HA 0.291 4.839 4.550 -0.003 0.000 0.329 70 Y C -1.086 174.850 175.900 0.060 0.000 1.127 70 Y CA -1.283 56.869 58.100 0.087 0.000 1.037 70 Y CB 1.489 40.016 38.460 0.112 0.000 1.320 70 Y HN 0.395 nan 8.280 nan 0.000 0.446 71 K N 4.961 124.970 120.400 -0.652 0.000 2.285 71 K HA 0.234 4.552 4.320 -0.004 0.000 0.286 71 K C -0.818 175.325 176.600 -0.762 0.000 1.072 71 K CA -0.473 55.503 56.287 -0.519 0.000 0.913 71 K CB 0.993 33.305 32.500 -0.314 0.000 1.067 71 K HN 0.638 nan 8.250 nan 0.000 0.479 72 Q N 3.887 123.467 119.800 -0.367 0.000 2.464 72 Q HA 0.043 4.381 4.340 -0.004 0.000 0.256 72 Q C -1.176 174.763 176.000 -0.101 0.000 1.020 72 Q CA -0.250 55.431 55.803 -0.203 0.000 0.716 72 Q CB 0.803 29.558 28.738 0.029 0.000 1.230 72 Q HN 0.534 nan 8.270 nan 0.000 0.494 73 E N 2.759 122.898 120.200 -0.101 0.000 2.271 73 E HA -0.269 4.079 4.350 -0.004 0.000 0.215 73 E C 0.025 176.584 176.600 -0.069 0.000 1.256 73 E CA 1.053 57.414 56.400 -0.064 0.000 0.678 73 E CB -2.213 27.465 29.700 -0.036 0.000 1.187 73 E HN 1.131 nan 8.360 nan 0.000 0.392 74 N N -1.337 117.314 118.700 -0.082 0.000 2.886 74 N HA -0.337 4.401 4.740 -0.004 0.000 0.223 74 N C 0.109 175.569 175.510 -0.083 0.000 0.828 74 N CA 2.015 55.022 53.050 -0.072 0.000 1.180 74 N CB -0.707 37.750 38.487 -0.051 0.000 0.972 74 N HN 0.632 nan 8.380 nan 0.000 0.616 75 N N 1.143 119.792 118.700 -0.085 0.000 2.492 75 N HA 0.556 5.294 4.740 -0.004 0.000 0.289 75 N C -0.661 174.794 175.510 -0.092 0.000 1.133 75 N CA -0.378 52.621 53.050 -0.085 0.000 0.961 75 N CB 1.054 39.500 38.487 -0.068 0.000 1.186 75 N HN 0.149 nan 8.380 nan 0.000 0.493 76 I N 0.812 121.332 120.570 -0.084 0.000 2.331 76 I HA 0.206 4.374 4.170 -0.004 0.000 0.292 76 I C -0.676 175.466 176.117 0.041 0.000 0.998 76 I CA -0.822 60.440 61.300 -0.064 0.000 1.267 76 I CB 0.623 38.525 38.000 -0.164 0.000 1.386 76 I HN 0.273 nan 8.210 nan 0.000 0.476 77 L N 7.157 128.423 121.223 0.072 0.000 2.331 77 L HA 0.529 4.867 4.340 -0.004 0.000 0.275 77 L C -0.211 176.728 176.870 0.115 0.000 1.022 77 L CA -0.562 54.317 54.840 0.065 0.000 0.812 77 L CB 1.784 43.855 42.059 0.020 0.000 1.257 77 L HN 0.299 nan 8.230 nan 0.000 0.435 78 V N 2.836 122.764 119.914 0.022 0.000 2.483 78 V HA 0.582 4.700 4.120 -0.004 0.000 0.295 78 V C -1.050 174.930 176.094 -0.190 0.000 1.035 78 V CA -0.308 62.014 62.300 0.037 0.000 0.896 78 V CB 1.323 33.250 31.823 0.173 0.000 0.986 78 V HN 0.510 nan 8.190 nan 0.000 0.447 79 F N 4.933 124.668 119.950 -0.358 0.000 2.508 79 F HA 0.493 5.017 4.527 -0.003 0.000 0.325 79 F C 0.409 175.945 175.800 -0.440 0.000 1.090 79 F CA -0.573 57.115 58.000 -0.519 0.000 0.945 79 F CB 1.831 40.178 39.000 -1.089 0.000 1.156 79 F HN 0.527 nan 8.300 nan 0.000 0.463 80 N N 2.264 120.928 118.700 -0.060 0.000 2.437 80 N HA 0.226 4.964 4.740 -0.004 0.000 0.243 80 N C 0.561 176.006 175.510 -0.107 0.000 1.041 80 N CA 0.158 53.188 53.050 -0.034 0.000 0.940 80 N CB 1.672 40.184 38.487 0.041 0.000 1.133 80 N HN 0.836 nan 8.380 nan 0.000 0.506 81 A N 4.015 126.737 122.820 -0.163 0.000 1.892 81 A HA -0.238 4.079 4.320 -0.004 0.000 0.218 81 A C 1.915 179.204 177.584 -0.492 0.000 1.188 81 A CA 1.931 53.789 52.037 -0.297 0.000 0.631 81 A CB -0.603 18.101 19.000 -0.493 0.000 0.822 81 A HN 0.842 nan 8.150 nan 0.000 0.447 82 E N -1.558 118.271 120.200 -0.619 0.000 2.085 82 E HA -0.206 4.142 4.350 -0.004 0.000 0.194 82 E C 1.244 177.433 176.600 -0.685 0.000 0.994 82 E CA 1.916 57.915 56.400 -0.669 0.000 0.801 82 E CB -0.246 28.930 29.700 -0.873 0.000 0.743 82 E HN 0.818 nan 8.360 nan 0.000 0.453 83 Y N -2.738 117.534 120.300 -0.048 0.000 2.453 83 Y HA 0.353 4.901 4.550 -0.004 0.000 0.247 83 Y C 1.442 177.339 175.900 -0.004 0.000 1.124 83 Y CA -0.184 57.903 58.100 -0.021 0.000 1.243 83 Y CB 1.456 39.905 38.460 -0.018 0.000 1.213 83 Y HN 0.165 nan 8.280 nan 0.000 0.523 84 G N 1.435 110.296 108.800 0.102 0.000 2.184 84 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.264 84 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.264 84 G C 0.050 175.086 174.900 0.227 0.000 0.975 84 G CA 0.320 45.518 45.100 0.163 0.000 0.642 84 G HN 0.470 nan 8.290 nan 0.000 0.536 85 N N 0.497 119.276 118.700 0.132 0.000 2.467 85 N HA 0.604 5.342 4.740 -0.004 0.000 0.262 85 N C 0.133 175.560 175.510 -0.139 0.000 1.234 85 N CA 0.711 53.774 53.050 0.021 0.000 0.952 85 N CB 1.599 40.099 38.487 0.022 0.000 1.158 85 N HN 0.954 nan 8.380 nan 0.000 0.463 86 S N -0.572 114.959 115.700 -0.283 0.000 2.776 86 S HA 0.751 5.219 4.470 -0.004 0.000 0.292 86 S C -1.000 173.429 174.600 -0.285 0.000 1.187 86 S CA -0.815 57.101 58.200 -0.473 0.000 0.834 86 S CB 1.423 63.911 63.200 -1.185 0.000 1.199 86 S HN 0.666 nan 8.310 nan 0.000 0.514 87 S N -0.368 115.176 115.700 -0.259 0.000 2.607 87 S HA 0.597 5.065 4.470 -0.004 0.000 0.273 87 S C -1.224 173.308 174.600 -0.113 0.000 1.148 87 S CA -0.770 57.342 58.200 -0.148 0.000 0.833 87 S CB 1.588 64.730 63.200 -0.096 0.000 1.130 87 S HN 0.887 nan 8.310 nan 0.000 0.470 88 V N 2.871 122.736 119.914 -0.082 0.000 2.372 88 V HA 0.249 4.367 4.120 -0.004 0.000 0.261 88 V C 0.637 176.719 176.094 -0.020 0.000 1.055 88 V CA -0.072 62.199 62.300 -0.048 0.000 0.930 88 V CB -0.411 31.372 31.823 -0.066 0.000 1.031 88 V HN 0.918 nan 8.190 nan 0.000 0.479 89 F N 5.096 124.993 119.950 -0.087 0.000 2.163 89 F HA 0.229 4.754 4.527 -0.004 0.000 0.297 89 F C 0.635 176.390 175.800 -0.075 0.000 1.094 89 F CA 1.264 59.225 58.000 -0.065 0.000 1.290 89 F CB 0.450 39.426 39.000 -0.040 0.000 1.017 89 F HN 0.352 nan 8.300 nan 0.000 0.483 90 L N 1.022 122.329 121.223 0.140 0.000 2.555 90 L HA 0.226 4.564 4.340 -0.004 0.000 0.264 90 L C -0.588 176.243 176.870 -0.064 0.000 0.972 90 L CA -0.531 54.316 54.840 0.012 0.000 0.876 90 L CB 1.259 43.379 42.059 0.102 0.000 1.216 90 L HN -0.082 nan 8.230 nan 0.000 0.415 91 E N 1.404 121.535 120.200 -0.115 0.000 2.415 91 E HA -0.046 4.302 4.350 -0.004 0.000 0.263 91 E C 0.780 177.299 176.600 -0.135 0.000 0.995 91 E CA 0.170 56.501 56.400 -0.116 0.000 0.915 91 E CB 0.852 30.479 29.700 -0.122 0.000 0.951 91 E HN 0.709 nan 8.360 nan 0.000 0.449 92 N N 1.758 120.398 118.700 -0.100 0.000 2.247 92 N HA -0.277 4.461 4.740 -0.004 0.000 0.189 92 N C 1.305 176.755 175.510 -0.100 0.000 1.009 92 N CA 1.818 54.816 53.050 -0.086 0.000 0.872 92 N CB -0.184 38.265 38.487 -0.064 0.000 0.980 92 N HN 0.277 nan 8.380 nan 0.000 0.436 93 S N -2.393 113.236 115.700 -0.119 0.000 2.650 93 S HA 0.077 4.544 4.470 -0.004 0.000 0.219 93 S C 1.279 175.752 174.600 -0.212 0.000 0.960 93 S CA 0.207 58.332 58.200 -0.125 0.000 0.925 93 S CB -0.728 62.412 63.200 -0.100 0.000 0.775 93 S HN 0.316 nan 8.310 nan 0.000 0.525 94 T N 1.522 115.867 114.554 -0.348 0.000 2.777 94 T HA 0.091 4.439 4.350 -0.004 0.000 0.266 94 T C 0.127 174.294 174.700 -0.888 0.000 1.040 94 T CA 1.089 62.779 62.100 -0.683 0.000 1.141 94 T CB -0.361 67.911 68.868 -0.994 0.000 0.868 94 T HN 0.578 nan 8.240 nan 0.000 0.444 95 F N 1.331 121.171 119.950 -0.184 0.000 2.983 95 F HA 0.376 4.901 4.527 -0.003 0.000 0.307 95 F C 0.880 176.659 175.800 -0.035 0.000 1.218 95 F CA -1.240 56.667 58.000 -0.155 0.000 1.323 95 F CB -0.146 38.658 39.000 -0.327 0.000 0.989 95 F HN -0.038 nan 8.300 nan 0.000 0.509 96 D N 0.366 120.784 120.400 0.030 0.000 2.084 96 D HA -0.144 4.494 4.640 -0.004 0.000 0.196 96 D C 1.483 177.826 176.300 0.071 0.000 0.985 96 D CA 1.385 55.408 54.000 0.038 0.000 0.826 96 D CB 0.121 40.913 40.800 -0.014 0.000 0.978 96 D HN 0.132 nan 8.370 nan 0.000 0.456 97 E N -0.712 119.531 120.200 0.070 0.000 2.336 97 E HA 0.108 4.456 4.350 -0.004 0.000 0.214 97 E C 0.337 177.005 176.600 0.113 0.000 1.144 97 E CA -0.275 56.160 56.400 0.058 0.000 1.294 97 E CB -0.588 29.126 29.700 0.024 0.000 1.263 97 E HN 0.103 nan 8.360 nan 0.000 0.439 98 F N -0.037 119.911 119.950 -0.003 0.000 2.456 98 F HA 0.178 4.703 4.527 -0.004 0.000 0.298 98 F C 1.763 177.478 175.800 -0.143 0.000 1.104 98 F CA 1.335 59.328 58.000 -0.012 0.000 1.435 98 F CB 0.246 39.265 39.000 0.031 0.000 1.078 98 F HN 0.238 nan 8.300 nan 0.000 0.546 99 G N -0.089 108.586 108.800 -0.210 0.000 2.159 99 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.256 99 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.256 99 G C -0.023 174.461 174.900 -0.693 0.000 0.977 99 G CA 0.432 45.255 45.100 -0.461 0.000 0.652 99 G HN 0.545 nan 8.290 nan 0.000 0.531 100 H N -0.780 118.210 119.070 -0.133 0.000 2.996 100 H HA 0.561 5.116 4.556 -0.003 0.000 0.368 100 H C -0.559 174.843 175.328 0.123 0.000 1.185 100 H CA -0.080 55.934 56.048 -0.058 0.000 1.160 100 H CB 1.510 31.067 29.762 -0.341 0.000 1.820 100 H HN 0.211 nan 8.280 nan 0.000 0.547 101 S N 2.394 118.236 115.700 0.236 0.000 2.474 101 S HA 0.292 4.759 4.470 -0.004 0.000 0.276 101 S C 0.232 174.929 174.600 0.162 0.000 1.227 101 S CA -0.661 57.634 58.200 0.158 0.000 1.050 101 S CB -0.545 62.722 63.200 0.111 0.000 0.939 101 S HN 0.393 nan 8.310 nan 0.000 0.490 102 I N 5.727 126.353 120.570 0.093 0.000 2.363 102 I HA 0.131 4.299 4.170 -0.004 0.000 0.292 102 I C 1.457 177.588 176.117 0.023 0.000 1.075 102 I CA -0.303 61.017 61.300 0.033 0.000 1.333 102 I CB 0.699 38.629 38.000 -0.116 0.000 1.415 102 I HN 0.757 nan 8.210 nan 0.000 0.502 103 N N 4.023 122.734 118.700 0.018 0.000 2.270 103 N HA -0.086 4.651 4.740 -0.004 0.000 0.181 103 N C 0.003 175.470 175.510 -0.073 0.000 1.016 103 N CA 1.157 54.171 53.050 -0.061 0.000 0.870 103 N CB 0.367 38.781 38.487 -0.122 0.000 0.979 103 N HN 0.655 nan 8.380 nan 0.000 0.431 104 D N -2.772 117.617 120.400 -0.018 0.000 2.710 104 D HA 0.162 4.800 4.640 -0.004 0.000 0.276 104 D C -1.738 174.614 176.300 0.086 0.000 1.267 104 D CA -0.520 53.479 54.000 -0.000 0.000 0.772 104 D CB 0.684 41.441 40.800 -0.073 0.000 1.299 104 D HN 0.074 nan 8.370 nan 0.000 0.421 105 Y N -1.156 119.151 120.300 0.012 0.000 2.615 105 Y HA 0.783 5.331 4.550 -0.003 0.000 0.341 105 Y C -1.185 174.779 175.900 0.107 0.000 1.089 105 Y CA -0.958 57.165 58.100 0.038 0.000 1.049 105 Y CB 1.751 40.212 38.460 0.001 0.000 1.296 105 Y HN 0.176 nan 8.280 nan 0.000 0.470 106 S N 1.835 117.695 115.700 0.266 0.000 2.603 106 S HA 0.637 5.105 4.470 -0.004 0.000 0.274 106 S C -1.871 173.038 174.600 0.516 0.000 1.168 106 S CA -0.439 57.929 58.200 0.279 0.000 0.963 106 S CB 0.533 63.904 63.200 0.284 0.000 1.078 106 S HN 0.628 nan 8.310 nan 0.000 0.477 107 I N 4.369 125.129 120.570 0.315 0.000 2.365 107 I HA 0.342 4.510 4.170 -0.004 0.000 0.291 107 I C 0.885 176.841 176.117 -0.268 0.000 1.004 107 I CA 0.111 61.492 61.300 0.135 0.000 1.311 107 I CB 1.817 39.865 38.000 0.080 0.000 1.401 107 I HN 0.755 nan 8.210 nan 0.000 0.491 108 S N 6.076 121.270 115.700 -0.844 0.000 2.576 108 S HA 0.181 4.649 4.470 -0.004 0.000 0.272 108 S C -1.848 172.448 174.600 -0.506 0.000 1.352 108 S CA -0.753 56.578 58.200 -1.448 0.000 1.021 108 S CB 0.283 62.518 63.200 -1.608 0.000 0.887 108 S HN 0.452 nan 8.310 nan 0.000 0.542 109 P HA -0.146 nan 4.420 nan 0.000 0.216 109 P C 0.792 178.046 177.300 -0.078 0.000 1.153 109 P CA 1.621 64.642 63.100 -0.132 0.000 0.858 109 P CB -0.176 31.461 31.700 -0.105 0.000 0.789 110 D N -1.880 118.470 120.400 -0.083 0.000 2.336 110 D HA 0.060 4.698 4.640 -0.004 0.000 0.229 110 D C 1.429 177.737 176.300 0.013 0.000 1.061 110 D CA 0.617 54.612 54.000 -0.009 0.000 0.875 110 D CB -1.259 39.563 40.800 0.038 0.000 0.904 110 D HN 0.219 nan 8.370 nan 0.000 0.525 111 G N 0.444 109.241 108.800 -0.005 0.000 2.205 111 G HA2 -0.448 3.510 3.960 -0.004 0.000 0.269 111 G HA3 -0.448 3.510 3.960 -0.004 0.000 0.269 111 G C 1.022 175.935 174.900 0.022 0.000 0.977 111 G CA 0.724 45.865 45.100 0.068 0.000 0.652 111 G HN 0.482 nan 8.290 nan 0.000 0.539 112 Q N -1.573 118.198 119.800 -0.049 0.000 2.311 112 Q HA 0.329 4.667 4.340 -0.004 0.000 0.203 112 Q C 0.300 175.946 176.000 -0.591 0.000 0.954 112 Q CA 0.665 56.306 55.803 -0.270 0.000 0.885 112 Q CB 0.217 28.820 28.738 -0.226 0.000 0.963 112 Q HN 0.602 nan 8.270 nan 0.000 0.471 113 F N -0.918 118.990 119.950 -0.070 0.000 2.613 113 F HA 0.504 5.029 4.527 -0.004 0.000 0.314 113 F C -0.676 175.213 175.800 0.148 0.000 1.075 113 F CA -1.185 56.842 58.000 0.044 0.000 0.945 113 F CB 1.746 40.793 39.000 0.079 0.000 1.310 113 F HN -0.228 nan 8.300 nan 0.000 0.467 114 I N 2.755 123.664 120.570 0.565 0.000 2.499 114 I HA 0.484 4.652 4.170 -0.004 0.000 0.288 114 I C -1.857 174.595 176.117 0.557 0.000 1.048 114 I CA -1.019 60.604 61.300 0.538 0.000 1.062 114 I CB 1.515 39.781 38.000 0.443 0.000 1.238 114 I HN 0.531 nan 8.210 nan 0.000 0.426 115 L N 8.355 129.936 121.223 0.596 0.000 2.281 115 L HA 0.465 4.803 4.340 -0.004 0.000 0.285 115 L C -1.169 175.843 176.870 0.236 0.000 1.074 115 L CA 0.045 55.094 54.840 0.349 0.000 0.817 115 L CB 0.855 43.014 42.059 0.167 0.000 1.168 115 L HN 0.514 nan 8.230 nan 0.000 0.434 116 L N 5.264 126.570 121.223 0.138 0.000 2.272 116 L HA 0.489 4.827 4.340 -0.004 0.000 0.289 116 L C -0.054 176.893 176.870 0.128 0.000 1.032 116 L CA -0.378 54.463 54.840 0.001 0.000 0.810 116 L CB 1.496 43.343 42.059 -0.353 0.000 1.205 116 L HN 0.611 nan 8.230 nan 0.000 0.422 117 E N 3.967 124.206 120.200 0.066 0.000 2.166 117 E HA 0.460 4.808 4.350 -0.004 0.000 0.275 117 E C -1.656 174.932 176.600 -0.019 0.000 0.941 117 E CA -0.529 55.779 56.400 -0.153 0.000 0.784 117 E CB 1.294 30.949 29.700 -0.075 0.000 1.115 117 E HN 0.443 nan 8.360 nan 0.000 0.399 118 Y N 1.492 121.616 120.300 -0.293 0.000 2.689 118 Y HA 0.459 5.007 4.550 -0.003 0.000 0.333 118 Y C -0.123 175.673 175.900 -0.173 0.000 1.190 118 Y CA -1.601 56.407 58.100 -0.152 0.000 1.063 118 Y CB 0.528 38.954 38.460 -0.056 0.000 1.294 118 Y HN 0.527 nan 8.280 nan 0.000 0.466 119 N N -0.351 118.360 118.700 0.018 0.000 2.754 119 N HA -0.292 4.446 4.740 -0.004 0.000 0.248 119 N C -1.005 174.476 175.510 -0.050 0.000 1.093 119 N CA 0.946 53.961 53.050 -0.058 0.000 0.699 119 N CB -1.526 36.829 38.487 -0.219 0.000 1.016 119 N HN 0.870 nan 8.380 nan 0.000 0.552 120 Y N 0.326 120.553 120.300 -0.121 0.000 2.632 120 Y HA 0.243 4.790 4.550 -0.004 0.000 0.329 120 Y C 0.062 175.922 175.900 -0.066 0.000 1.174 120 Y CA 0.100 58.124 58.100 -0.126 0.000 1.469 120 Y CB 0.659 39.000 38.460 -0.197 0.000 1.242 120 Y HN -0.004 nan 8.280 nan 0.000 0.540 121 V N 8.255 127.816 119.914 -0.589 0.000 2.357 121 V HA 0.180 4.298 4.120 -0.004 0.000 0.281 121 V C -0.118 175.565 176.094 -0.685 0.000 1.015 121 V CA -1.395 60.608 62.300 -0.494 0.000 0.827 121 V CB 0.986 32.670 31.823 -0.231 0.000 1.018 121 V HN 0.770 nan 8.190 nan 0.000 0.432 122 K N 3.514 123.437 120.400 -0.795 0.000 2.469 122 K HA 0.102 4.420 4.320 -0.004 0.000 0.274 122 K C 0.397 176.822 176.600 -0.292 0.000 0.983 122 K CA 0.553 56.569 56.287 -0.451 0.000 0.974 122 K CB 1.012 33.467 32.500 -0.076 0.000 0.913 122 K HN 0.806 nan 8.250 nan 0.000 0.493 123 Q N 2.424 122.054 119.800 -0.282 0.000 2.898 123 Q HA 0.191 4.529 4.340 -0.004 0.000 0.212 123 Q C -0.051 175.737 176.000 -0.353 0.000 1.077 123 Q CA -0.531 54.926 55.803 -0.577 0.000 0.387 123 Q CB 0.183 28.401 28.738 -0.866 0.000 4.985 123 Q HN 0.733 nan 8.270 nan 0.000 0.324 124 W N 0.481 121.783 121.300 0.003 0.000 1.763 124 W HA 0.313 4.971 4.660 -0.003 0.000 0.619 124 W C 1.845 178.354 176.519 -0.017 0.000 1.755 124 W CA -0.418 56.956 57.345 0.048 0.000 1.933 124 W CB -0.168 29.273 29.460 -0.030 0.000 3.002 124 W HN 0.399 nan 8.180 nan 0.000 0.782 125 R N -0.632 119.965 120.500 0.162 0.000 2.081 125 R HA -0.145 4.193 4.340 -0.004 0.000 0.235 125 R C 1.763 177.893 176.300 -0.283 0.000 1.131 125 R CA 1.984 58.000 56.100 -0.139 0.000 0.960 125 R CB -0.470 29.618 30.300 -0.353 0.000 0.856 125 R HN 0.470 nan 8.270 nan 0.000 0.436 126 H N -0.930 118.212 119.070 0.119 0.000 2.695 126 H HA 0.199 4.753 4.556 -0.004 0.000 0.267 126 H C 0.494 175.905 175.328 0.138 0.000 0.973 126 H CA 0.539 56.677 56.048 0.149 0.000 1.223 126 H CB 0.159 29.980 29.762 0.098 0.000 1.442 126 H HN 0.222 nan 8.280 nan 0.000 0.478 127 S N 1.362 117.045 115.700 -0.028 0.000 2.585 127 S HA 0.339 4.807 4.470 -0.004 0.000 0.273 127 S C -0.284 174.177 174.600 -0.233 0.000 1.339 127 S CA -0.428 57.452 58.200 -0.534 0.000 1.028 127 S CB 0.583 62.930 63.200 -1.422 0.000 0.906 127 S HN 0.449 nan 8.310 nan 0.000 0.528 128 Y N -2.171 117.982 120.300 -0.245 0.000 2.732 128 Y HA 0.656 5.204 4.550 -0.003 0.000 0.342 128 Y C -0.835 175.034 175.900 -0.050 0.000 1.203 128 Y CA -0.859 57.098 58.100 -0.237 0.000 1.092 128 Y CB 0.499 38.795 38.460 -0.273 0.000 1.345 128 Y HN 0.896 nan 8.280 nan 0.000 0.458 129 T N -0.037 114.579 114.554 0.104 0.000 2.924 129 T HA 1.023 5.371 4.350 -0.004 0.000 0.291 129 T C -0.505 174.283 174.700 0.147 0.000 1.045 129 T CA -0.121 62.054 62.100 0.125 0.000 1.015 129 T CB 1.784 70.672 68.868 0.034 0.000 1.103 129 T HN 1.900 nan 8.240 nan 0.000 0.496 130 A N 0.962 123.841 122.820 0.099 0.000 2.564 130 A HA 0.795 5.113 4.320 -0.004 0.000 0.291 130 A C -0.599 176.748 177.584 -0.394 0.000 1.102 130 A CA -0.957 50.984 52.037 -0.159 0.000 0.660 130 A CB 1.101 19.999 19.000 -0.171 0.000 1.283 130 A HN 0.859 nan 8.150 nan 0.000 0.430 131 S N -0.920 114.295 115.700 -0.808 0.000 2.638 131 S HA 0.854 5.321 4.470 -0.004 0.000 0.298 131 S C -1.584 172.283 174.600 -1.223 0.000 1.111 131 S CA -0.100 57.538 58.200 -0.936 0.000 1.027 131 S CB 0.785 63.178 63.200 -1.345 0.000 1.064 131 S HN 0.471 nan 8.310 nan 0.000 0.525 132 Y N -0.013 120.028 120.300 -0.432 0.000 2.513 132 Y HA 0.475 5.023 4.550 -0.003 0.000 0.340 132 Y C -0.540 175.392 175.900 0.054 0.000 1.055 132 Y CA -0.948 57.063 58.100 -0.149 0.000 1.020 132 Y CB 1.776 40.104 38.460 -0.220 0.000 1.301 132 Y HN 0.479 nan 8.280 nan 0.000 0.453 133 D N 2.165 122.777 120.400 0.353 0.000 2.671 133 D HA 0.577 5.215 4.640 -0.004 0.000 0.232 133 D C -0.954 175.475 176.300 0.215 0.000 1.114 133 D CA -0.336 53.845 54.000 0.303 0.000 0.858 133 D CB 2.681 43.758 40.800 0.462 0.000 1.544 133 D HN 0.407 nan 8.370 nan 0.000 0.471 134 I N 1.658 122.351 120.570 0.205 0.000 2.441 134 I HA 0.287 4.454 4.170 -0.004 0.000 0.295 134 I C -0.957 175.382 176.117 0.370 0.000 0.994 134 I CA -0.977 60.482 61.300 0.266 0.000 1.144 134 I CB 1.578 39.691 38.000 0.188 0.000 1.314 134 I HN 0.229 nan 8.210 nan 0.000 0.445 135 Y N 5.046 125.524 120.300 0.297 0.000 2.364 135 Y HA 0.294 4.842 4.550 -0.004 0.000 0.340 135 Y C -0.292 175.804 175.900 0.326 0.000 0.975 135 Y CA -0.745 57.531 58.100 0.293 0.000 1.089 135 Y CB 1.292 39.932 38.460 0.302 0.000 1.192 135 Y HN 0.477 nan 8.280 nan 0.000 0.454 136 D N 6.274 126.568 120.400 -0.177 0.000 2.339 136 D HA 0.093 4.731 4.640 -0.004 0.000 0.241 136 D C 0.670 176.677 176.300 -0.490 0.000 1.183 136 D CA 0.266 54.069 54.000 -0.327 0.000 0.859 136 D CB 0.964 41.621 40.800 -0.238 0.000 1.067 136 D HN 0.873 nan 8.370 nan 0.000 0.484 137 L N 3.632 124.672 121.223 -0.305 0.000 2.275 137 L HA -0.134 4.204 4.340 -0.004 0.000 0.215 137 L C 1.955 178.697 176.870 -0.213 0.000 1.119 137 L CA 0.473 55.233 54.840 -0.133 0.000 0.790 137 L CB -0.217 41.815 42.059 -0.046 0.000 0.919 137 L HN 0.344 nan 8.230 nan 0.000 0.443 138 N N 1.080 119.603 118.700 -0.296 0.000 2.124 138 N HA -0.122 4.616 4.740 -0.004 0.000 0.188 138 N C 1.507 176.901 175.510 -0.193 0.000 1.045 138 N CA 1.266 54.180 53.050 -0.226 0.000 0.846 138 N CB -0.211 38.139 38.487 -0.229 0.000 1.020 138 N HN 0.417 nan 8.380 nan 0.000 0.432 139 K N 1.208 121.478 120.400 -0.215 0.000 2.505 139 K HA 0.212 4.530 4.320 -0.004 0.000 0.192 139 K C -0.161 176.321 176.600 -0.197 0.000 1.025 139 K CA -0.080 56.105 56.287 -0.169 0.000 1.086 139 K CB 0.126 32.544 32.500 -0.137 0.000 0.840 139 K HN -0.010 nan 8.250 nan 0.000 0.514 140 R N 1.282 121.617 120.500 -0.275 0.000 3.484 140 R HA -0.204 4.134 4.340 -0.004 0.000 0.260 140 R C -0.819 175.254 176.300 -0.377 0.000 1.053 140 R CA 0.923 56.838 56.100 -0.307 0.000 0.703 140 R CB -1.825 28.445 30.300 -0.051 0.000 1.089 140 R HN 0.600 nan 8.270 nan 0.000 0.459 141 Q N 0.098 119.595 119.800 -0.504 0.000 2.348 141 Q HA 0.482 4.820 4.340 -0.004 0.000 0.271 141 Q C -0.727 175.094 176.000 -0.299 0.000 1.067 141 Q CA -1.193 54.459 55.803 -0.252 0.000 0.839 141 Q CB 1.940 30.613 28.738 -0.109 0.000 1.354 141 Q HN 0.031 nan 8.270 nan 0.000 0.447 142 L N 2.090 123.361 121.223 0.081 0.000 2.292 142 L HA 0.386 4.724 4.340 -0.004 0.000 0.284 142 L C -0.812 176.158 176.870 0.166 0.000 1.065 142 L CA -0.025 54.982 54.840 0.277 0.000 0.806 142 L CB 0.847 43.171 42.059 0.442 0.000 1.175 142 L HN 0.535 nan 8.230 nan 0.000 0.431 143 I N 4.249 124.920 120.570 0.169 0.000 2.471 143 I HA 0.101 4.268 4.170 -0.004 0.000 0.286 143 I C 0.918 177.099 176.117 0.105 0.000 1.079 143 I CA 0.223 61.594 61.300 0.117 0.000 1.398 143 I CB 0.902 38.969 38.000 0.113 0.000 1.403 143 I HN 0.797 nan 8.210 nan 0.000 0.530 144 T N 1.175 115.772 114.554 0.071 0.000 3.085 144 T HA 0.187 4.534 4.350 -0.004 0.000 0.264 144 T C 0.253 174.965 174.700 0.020 0.000 1.019 144 T CA -0.497 61.635 62.100 0.054 0.000 0.910 144 T CB -0.109 68.789 68.868 0.050 0.000 1.059 144 T HN 0.689 nan 8.240 nan 0.000 0.542 145 E N 0.836 121.043 120.200 0.010 0.000 2.244 145 E HA 0.398 4.746 4.350 -0.004 0.000 0.266 145 E C -0.913 175.666 176.600 -0.035 0.000 0.914 145 E CA -0.943 55.449 56.400 -0.013 0.000 0.794 145 E CB 0.961 30.656 29.700 -0.007 0.000 1.210 145 E HN -0.048 nan 8.360 nan 0.000 0.414 146 E N 1.027 121.193 120.200 -0.057 0.000 2.210 146 E HA -0.219 4.129 4.350 -0.004 0.000 0.201 146 E C -0.730 175.804 176.600 -0.111 0.000 1.339 146 E CA 0.746 57.095 56.400 -0.085 0.000 0.699 146 E CB -1.215 28.443 29.700 -0.070 0.000 1.126 146 E HN 0.522 nan 8.360 nan 0.000 0.355 147 R N -0.174 120.251 120.500 -0.125 0.000 2.615 147 R HA 0.440 4.778 4.340 -0.004 0.000 0.270 147 R C 1.103 177.234 176.300 -0.281 0.000 1.081 147 R CA -0.695 55.315 56.100 -0.150 0.000 1.154 147 R CB 0.644 30.888 30.300 -0.093 0.000 1.063 147 R HN 0.137 nan 8.270 nan 0.000 0.519 148 I N 3.656 124.022 120.570 -0.340 0.000 2.618 148 I HA 0.029 4.196 4.170 -0.004 0.000 0.284 148 I C -1.731 174.085 176.117 -0.500 0.000 1.146 148 I CA -1.500 59.439 61.300 -0.602 0.000 1.425 148 I CB 0.518 38.163 38.000 -0.591 0.000 1.383 148 I HN 0.326 nan 8.210 nan 0.000 0.562 149 P HA 0.046 nan 4.420 nan 0.000 0.270 149 P C -0.851 176.227 177.300 -0.370 0.000 1.227 149 P CA -0.266 62.441 63.100 -0.655 0.000 0.788 149 P CB 0.378 31.262 31.700 -1.359 0.000 0.926 150 N N 1.801 120.362 118.700 -0.233 0.000 2.445 150 N HA 0.089 4.827 4.740 -0.004 0.000 0.264 150 N C 0.273 175.831 175.510 0.080 0.000 1.227 150 N CA -0.003 52.984 53.050 -0.106 0.000 0.963 150 N CB -0.197 38.242 38.487 -0.081 0.000 1.188 150 N HN 0.408 nan 8.380 nan 0.000 0.491 151 N N -0.740 118.004 118.700 0.074 0.000 2.780 151 N HA -0.146 4.592 4.740 -0.004 0.000 0.248 151 N C -0.905 174.777 175.510 0.287 0.000 1.102 151 N CA 0.673 53.819 53.050 0.159 0.000 0.697 151 N CB -1.606 37.000 38.487 0.198 0.000 1.028 151 N HN 0.467 nan 8.380 nan 0.000 0.554 152 T N 0.765 115.470 114.554 0.252 0.000 2.851 152 T HA 0.154 4.502 4.350 -0.004 0.000 0.298 152 T C 1.696 176.546 174.700 0.250 0.000 0.977 152 T CA -0.021 62.252 62.100 0.288 0.000 1.126 152 T CB 1.336 70.299 68.868 0.159 0.000 0.916 152 T HN 0.151 nan 8.240 nan 0.000 0.529 153 Q N 1.920 121.852 119.800 0.220 0.000 2.269 153 Q HA 0.142 4.479 4.340 -0.004 0.000 0.201 153 Q C 0.159 176.296 176.000 0.229 0.000 0.946 153 Q CA 0.468 56.407 55.803 0.227 0.000 0.877 153 Q CB 0.732 29.544 28.738 0.124 0.000 0.963 153 Q HN 0.693 nan 8.270 nan 0.000 0.472 154 W N -0.385 120.857 121.300 -0.096 0.000 3.464 154 W HA 0.434 5.092 4.660 -0.003 0.000 0.292 154 W C -2.381 174.036 176.519 -0.170 0.000 1.262 154 W CA -0.568 56.676 57.345 -0.168 0.000 1.202 154 W CB 1.116 30.416 29.460 -0.267 0.000 1.334 154 W HN -0.361 nan 8.180 nan 0.000 0.561 155 V N 3.258 122.361 119.914 -1.352 0.000 2.851 155 V HA 0.645 4.763 4.120 -0.004 0.000 0.307 155 V C -0.488 174.922 176.094 -1.141 0.000 1.129 155 V CA -0.572 61.116 62.300 -1.020 0.000 0.932 155 V CB 1.841 33.011 31.823 -1.088 0.000 1.024 155 V HN 0.506 nan 8.190 nan 0.000 0.426 156 T N 2.700 116.941 114.554 -0.522 0.000 2.956 156 T HA 0.560 4.908 4.350 -0.004 0.000 0.312 156 T C -1.429 173.286 174.700 0.026 0.000 1.151 156 T CA -0.286 61.707 62.100 -0.178 0.000 1.024 156 T CB 0.949 69.966 68.868 0.249 0.000 1.140 156 T HN 0.505 nan 8.240 nan 0.000 0.473 157 W N 2.902 124.226 121.300 0.039 0.000 2.129 157 W HA 0.470 5.127 4.660 -0.004 0.000 0.349 157 W C 1.208 177.595 176.519 -0.220 0.000 1.279 157 W CA -0.628 56.697 57.345 -0.032 0.000 1.306 157 W CB 0.691 30.130 29.460 -0.035 0.000 1.140 157 W HN 0.810 nan 8.180 nan 0.000 0.613 158 S N 1.829 117.338 115.700 -0.320 0.000 2.593 158 S HA 0.130 4.598 4.470 -0.004 0.000 0.269 158 S C -1.385 172.930 174.600 -0.476 0.000 1.334 158 S CA -1.040 56.418 58.200 -1.237 0.000 1.015 158 S CB 1.002 63.323 63.200 -1.466 0.000 0.912 158 S HN 0.402 nan 8.310 nan 0.000 0.541 159 P HA -0.010 nan 4.420 nan 0.000 0.219 159 P C -0.027 177.200 177.300 -0.121 0.000 1.146 159 P CA 0.802 63.832 63.100 -0.117 0.000 0.808 159 P CB -0.035 31.642 31.700 -0.040 0.000 0.779 160 V N -1.482 118.311 119.914 -0.202 0.000 2.876 160 V HA 0.639 4.757 4.120 -0.004 0.000 0.312 160 V C 0.825 176.787 176.094 -0.219 0.000 1.085 160 V CA 0.045 62.248 62.300 -0.162 0.000 0.945 160 V CB 1.011 32.753 31.823 -0.135 0.000 1.017 160 V HN 0.459 nan 8.190 nan 0.000 0.428 161 G N 2.708 111.399 108.800 -0.182 0.000 2.514 161 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.265 161 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.265 161 G C 0.172 174.940 174.900 -0.221 0.000 1.150 161 G CA 0.595 45.545 45.100 -0.250 0.000 0.959 161 G HN 1.817 nan 8.290 nan 0.000 0.556 162 H N -0.363 118.669 119.070 -0.063 0.000 3.043 162 H HA 0.400 4.954 4.556 -0.003 0.000 0.244 162 H C 0.324 175.771 175.328 0.199 0.000 1.199 162 H CA -0.104 55.934 56.048 -0.016 0.000 0.956 162 H CB -0.110 29.656 29.762 0.007 0.000 2.305 162 H HN 0.514 nan 8.280 nan 0.000 0.665 163 K N 1.627 122.052 120.400 0.043 0.000 2.219 163 K HA 0.441 4.759 4.320 -0.004 0.000 0.258 163 K C -0.435 176.302 176.600 0.228 0.000 1.008 163 K CA -0.258 56.077 56.287 0.080 0.000 0.928 163 K CB 1.580 33.968 32.500 -0.186 0.000 0.983 163 K HN 0.127 nan 8.250 nan 0.000 0.484 164 L N 0.998 122.377 121.223 0.260 0.000 2.401 164 L HA 0.547 4.885 4.340 -0.004 0.000 0.266 164 L C -1.027 176.055 176.870 0.353 0.000 0.991 164 L CA -0.775 54.179 54.840 0.191 0.000 0.818 164 L CB 2.150 44.167 42.059 -0.070 0.000 1.321 164 L HN 0.721 nan 8.230 nan 0.000 0.413 165 A N 2.690 125.713 122.820 0.338 0.000 2.371 165 A HA 0.844 5.161 4.320 -0.004 0.000 0.311 165 A C -1.587 176.040 177.584 0.072 0.000 1.068 165 A CA -0.368 51.766 52.037 0.161 0.000 0.744 165 A CB 1.207 20.226 19.000 0.033 0.000 1.239 165 A HN 0.657 nan 8.150 nan 0.000 0.435 166 Y N -0.791 119.462 120.300 -0.078 0.000 2.655 166 Y HA 0.777 5.325 4.550 -0.003 0.000 0.336 166 Y C -1.261 174.638 175.900 -0.002 0.000 1.154 166 Y CA -1.600 56.427 58.100 -0.122 0.000 1.055 166 Y CB 1.186 39.510 38.460 -0.227 0.000 1.295 166 Y HN 0.408 nan 8.280 nan 0.000 0.465 167 V N 1.648 121.689 119.914 0.213 0.000 2.444 167 V HA 0.354 4.472 4.120 -0.004 0.000 0.294 167 V C -1.569 174.721 176.094 0.327 0.000 1.022 167 V CA -0.629 61.766 62.300 0.158 0.000 0.850 167 V CB 1.312 33.142 31.823 0.011 0.000 0.992 167 V HN 0.859 nan 8.190 nan 0.000 0.426 168 W N 5.007 126.396 121.300 0.148 0.000 2.900 168 W HA 0.489 5.147 4.660 -0.003 0.000 0.336 168 W C 0.352 176.921 176.519 0.082 0.000 1.064 168 W CA -0.749 56.654 57.345 0.097 0.000 1.237 168 W CB 1.318 30.798 29.460 0.033 0.000 1.391 168 W HN 0.792 nan 8.180 nan 0.000 0.468 169 N N 4.932 123.215 118.700 -0.695 0.000 2.735 169 N HA -0.331 4.406 4.740 -0.004 0.000 0.248 169 N C -0.094 175.217 175.510 -0.332 0.000 1.083 169 N CA 0.943 53.583 53.050 -0.682 0.000 0.703 169 N CB -1.008 36.820 38.487 -1.098 0.000 1.005 169 N HN 0.726 nan 8.380 nan 0.000 0.550 170 N N -1.247 117.329 118.700 -0.206 0.000 2.782 170 N HA -0.149 4.589 4.740 -0.004 0.000 0.251 170 N C -1.596 173.820 175.510 -0.156 0.000 1.101 170 N CA 1.612 54.567 53.050 -0.159 0.000 0.764 170 N CB -0.441 37.915 38.487 -0.218 0.000 1.122 170 N HN 0.510 nan 8.380 nan 0.000 0.561 171 D N -0.291 120.026 120.400 -0.138 0.000 2.527 171 D HA 0.503 5.141 4.640 -0.004 0.000 0.233 171 D C 0.314 176.432 176.300 -0.303 0.000 1.063 171 D CA -0.437 53.402 54.000 -0.267 0.000 0.880 171 D CB 1.407 42.003 40.800 -0.339 0.000 1.457 171 D HN -0.013 nan 8.370 nan 0.000 0.475 172 I N 1.544 121.770 120.570 -0.573 0.000 2.440 172 I HA 0.278 4.446 4.170 -0.004 0.000 0.294 172 I C -0.717 174.914 176.117 -0.810 0.000 0.995 172 I CA -0.455 60.494 61.300 -0.584 0.000 1.306 172 I CB 0.660 38.225 38.000 -0.725 0.000 1.407 172 I HN 0.172 nan 8.210 nan 0.000 0.501 173 Y N 3.754 123.650 120.300 -0.673 0.000 2.524 173 Y HA 0.629 5.178 4.550 -0.003 0.000 0.347 173 Y C -0.454 175.099 175.900 -0.578 0.000 1.005 173 Y CA -0.907 56.755 58.100 -0.730 0.000 1.025 173 Y CB 2.101 39.833 38.460 -1.215 0.000 1.275 173 Y HN 0.097 nan 8.280 nan 0.000 0.460 174 V N 2.740 122.595 119.914 -0.098 0.000 2.588 174 V HA 0.463 4.580 4.120 -0.004 0.000 0.304 174 V C -0.835 175.407 176.094 0.248 0.000 1.042 174 V CA -1.348 61.003 62.300 0.084 0.000 0.877 174 V CB 2.053 33.941 31.823 0.108 0.000 0.996 174 V HN 0.615 nan 8.190 nan 0.000 0.425 175 K N 3.907 124.463 120.400 0.260 0.000 2.323 175 K HA 0.530 4.848 4.320 -0.004 0.000 0.259 175 K C 0.354 177.107 176.600 0.255 0.000 0.947 175 K CA -0.732 55.698 56.287 0.239 0.000 0.819 175 K CB 1.817 34.415 32.500 0.163 0.000 1.109 175 K HN 0.462 nan 8.250 nan 0.000 0.429 176 I N 1.356 122.094 120.570 0.281 0.000 2.500 176 I HA -0.038 4.130 4.170 -0.004 0.000 0.252 176 I C 0.265 176.510 176.117 0.212 0.000 1.142 176 I CA 1.320 62.758 61.300 0.229 0.000 1.451 176 I CB -0.148 37.992 38.000 0.234 0.000 1.093 176 I HN 0.549 nan 8.210 nan 0.000 0.430 177 E N -0.070 120.230 120.200 0.166 0.000 2.272 177 E HA 0.271 4.619 4.350 -0.004 0.000 0.269 177 E C -1.948 174.632 176.600 -0.033 0.000 0.877 177 E CA -1.884 54.570 56.400 0.090 0.000 0.755 177 E CB 1.958 31.708 29.700 0.084 0.000 1.192 177 E HN -0.181 nan 8.360 nan 0.000 0.422 178 P HA -0.224 nan 4.420 nan 0.000 0.218 178 P C 0.817 178.046 177.300 -0.119 0.000 1.152 178 P CA 1.560 64.509 63.100 -0.251 0.000 0.857 178 P CB 0.261 31.579 31.700 -0.636 0.000 0.787 179 N N -1.444 117.209 118.700 -0.078 0.000 2.230 179 N HA 0.020 4.758 4.740 -0.004 0.000 0.202 179 N C 0.073 175.569 175.510 -0.022 0.000 1.119 179 N CA 0.154 53.187 53.050 -0.029 0.000 0.851 179 N CB -0.136 38.353 38.487 0.005 0.000 0.990 179 N HN 0.182 nan 8.380 nan 0.000 0.497 180 L N 1.278 122.489 121.223 -0.020 0.000 2.352 180 L HA 0.509 4.847 4.340 -0.004 0.000 0.269 180 L C -2.089 174.745 176.870 -0.059 0.000 1.034 180 L CA -2.230 52.597 54.840 -0.022 0.000 0.806 180 L CB 1.359 43.426 42.059 0.013 0.000 1.244 180 L HN -0.134 nan 8.230 nan 0.000 0.447 181 P HA 0.035 nan 4.420 nan 0.000 0.269 181 P C -0.645 176.516 177.300 -0.231 0.000 1.209 181 P CA -0.135 62.876 63.100 -0.150 0.000 0.776 181 P CB 0.675 32.278 31.700 -0.162 0.000 0.876 182 S N 1.325 116.942 115.700 -0.137 0.000 2.614 182 S HA 0.285 4.753 4.470 -0.004 0.000 0.265 182 S C -0.355 174.123 174.600 -0.203 0.000 1.303 182 S CA 0.006 58.169 58.200 -0.062 0.000 1.000 182 S CB -0.093 63.179 63.200 0.119 0.000 0.935 182 S HN 0.301 nan 8.310 nan 0.000 0.551 183 Y N 0.593 120.929 120.300 0.060 0.000 2.328 183 Y HA 0.380 4.928 4.550 -0.003 0.000 0.337 183 Y C 0.801 176.621 175.900 -0.132 0.000 0.966 183 Y CA -0.710 57.399 58.100 0.015 0.000 1.136 183 Y CB 0.797 39.266 38.460 0.016 0.000 1.170 183 Y HN 0.380 nan 8.280 nan 0.000 0.470 184 R N 3.456 123.885 120.500 -0.119 0.000 2.442 184 R HA 0.171 4.509 4.340 -0.004 0.000 0.291 184 R C 0.234 176.133 176.300 -0.668 0.000 1.069 184 R CA 0.222 55.865 56.100 -0.761 0.000 1.022 184 R CB 0.675 30.332 30.300 -1.073 0.000 0.976 184 R HN 0.765 nan 8.270 nan 0.000 0.443 185 I N 1.037 121.138 120.570 -0.782 0.000 3.172 185 I HA -0.022 4.146 4.170 -0.004 0.000 0.278 185 I C 1.214 177.074 176.117 -0.429 0.000 1.174 185 I CA 0.945 61.973 61.300 -0.453 0.000 1.445 185 I CB -0.409 37.311 38.000 -0.467 0.000 1.175 185 I HN 0.524 nan 8.210 nan 0.000 0.447 186 T N -3.826 110.295 114.554 -0.723 0.000 2.907 186 T HA 0.388 4.736 4.350 -0.004 0.000 0.292 186 T C -0.156 174.211 174.700 -0.555 0.000 1.043 186 T CA -0.526 61.321 62.100 -0.422 0.000 1.003 186 T CB 2.235 70.863 68.868 -0.401 0.000 1.084 186 T HN 0.220 nan 8.240 nan 0.000 0.483 187 W N 0.709 121.898 121.300 -0.186 0.000 2.714 187 W HA 0.101 4.759 4.660 -0.003 0.000 0.353 187 W C 1.654 178.115 176.519 -0.098 0.000 0.999 187 W CA 0.146 57.416 57.345 -0.126 0.000 1.629 187 W CB 0.524 29.931 29.460 -0.088 0.000 1.106 187 W HN 0.958 nan 8.180 nan 0.000 0.545 188 T N -1.974 112.615 114.554 0.059 0.000 3.067 188 T HA 0.110 4.458 4.350 -0.004 0.000 0.261 188 T C 1.418 176.102 174.700 -0.026 0.000 1.110 188 T CA 0.497 62.612 62.100 0.026 0.000 1.113 188 T CB -0.246 68.637 68.868 0.025 0.000 0.917 188 T HN -0.026 nan 8.240 nan 0.000 0.499 189 G N 1.332 110.081 108.800 -0.085 0.000 2.238 189 G HA2 0.213 4.171 3.960 -0.004 0.000 0.234 189 G HA3 0.213 4.171 3.960 -0.004 0.000 0.234 189 G C -0.488 174.340 174.900 -0.119 0.000 1.181 189 G CA -0.175 44.852 45.100 -0.123 0.000 0.871 189 G HN 0.622 nan 8.290 nan 0.000 0.490 190 K N 1.775 122.083 120.400 -0.154 0.000 2.606 190 K HA 0.117 4.435 4.320 -0.004 0.000 0.259 190 K C -0.176 176.292 176.600 -0.219 0.000 1.001 190 K CA -0.621 55.578 56.287 -0.146 0.000 0.881 190 K CB 1.229 33.682 32.500 -0.079 0.000 1.288 190 K HN 0.692 nan 8.250 nan 0.000 0.452 191 E N 3.494 123.570 120.200 -0.206 0.000 2.820 191 E HA -0.175 4.173 4.350 -0.004 0.000 0.251 191 E C -0.577 175.915 176.600 -0.179 0.000 0.944 191 E CA 1.095 57.369 56.400 -0.209 0.000 0.955 191 E CB 0.207 29.825 29.700 -0.137 0.000 0.904 191 E HN 0.614 nan 8.360 nan 0.000 0.513 192 D N 2.657 122.912 120.400 -0.241 0.000 3.077 192 D HA -0.232 4.406 4.640 -0.004 0.000 0.217 192 D C 0.443 176.757 176.300 0.024 0.000 1.162 192 D CA 1.265 55.249 54.000 -0.026 0.000 0.943 192 D CB -0.498 40.346 40.800 0.073 0.000 1.122 192 D HN 0.417 nan 8.370 nan 0.000 0.413 193 I N -1.034 119.463 120.570 -0.121 0.000 3.669 193 I HA 0.112 4.280 4.170 -0.004 0.000 0.255 193 I C 0.763 176.945 176.117 0.108 0.000 1.144 193 I CA 0.421 61.748 61.300 0.044 0.000 1.447 193 I CB 0.032 38.040 38.000 0.014 0.000 1.622 193 I HN -0.137 nan 8.210 nan 0.000 0.435 194 I N 1.895 122.450 120.570 -0.025 0.000 2.362 194 I HA 0.258 4.426 4.170 -0.004 0.000 0.289 194 I C -1.246 174.877 176.117 0.011 0.000 0.994 194 I CA -0.617 60.740 61.300 0.095 0.000 1.158 194 I CB 0.792 38.825 38.000 0.055 0.000 1.315 194 I HN 0.049 nan 8.210 nan 0.000 0.451 195 Y N 4.694 125.085 120.300 0.152 0.000 2.356 195 Y HA 0.390 4.938 4.550 -0.004 0.000 0.334 195 Y C 0.432 176.383 175.900 0.086 0.000 0.958 195 Y CA -0.861 57.324 58.100 0.142 0.000 1.196 195 Y CB 0.807 39.429 38.460 0.271 0.000 1.137 195 Y HN 0.407 nan 8.280 nan 0.000 0.485 196 N N 2.303 121.054 118.700 0.085 0.000 2.437 196 N HA 0.347 5.085 4.740 -0.004 0.000 0.259 196 N C 0.924 176.348 175.510 -0.143 0.000 0.983 196 N CA 0.499 53.523 53.050 -0.043 0.000 0.937 196 N CB 1.811 40.177 38.487 -0.201 0.000 1.122 196 N HN 0.984 nan 8.380 nan 0.000 0.499 197 G N 1.566 110.296 108.800 -0.116 0.000 2.205 197 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.261 197 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.261 197 G C 0.136 174.888 174.900 -0.247 0.000 0.980 197 G CA 0.652 45.616 45.100 -0.226 0.000 0.632 197 G HN 0.658 nan 8.290 nan 0.000 0.533 198 I N -1.666 118.836 120.570 -0.114 0.000 2.934 198 I HA 0.821 4.989 4.170 -0.004 0.000 0.306 198 I C 0.281 176.470 176.117 0.119 0.000 1.110 198 I CA -0.630 60.539 61.300 -0.218 0.000 1.019 198 I CB 2.012 39.706 38.000 -0.510 0.000 1.227 198 I HN 0.187 nan 8.210 nan 0.000 0.434 199 T N -0.526 114.033 114.554 0.008 0.000 2.918 199 T HA 0.392 4.740 4.350 -0.004 0.000 0.283 199 T C -0.220 174.297 174.700 -0.305 0.000 1.001 199 T CA -0.661 61.310 62.100 -0.216 0.000 1.041 199 T CB 1.371 70.167 68.868 -0.119 0.000 1.028 199 T HN 0.758 nan 8.240 nan 0.000 0.511 200 D N 0.364 120.324 120.400 -0.734 0.000 2.478 200 D HA 0.044 4.682 4.640 -0.004 0.000 0.269 200 D C 0.953 177.176 176.300 -0.128 0.000 1.232 200 D CA -1.121 52.450 54.000 -0.714 0.000 1.059 200 D CB 0.151 40.485 40.800 -0.776 0.000 1.104 200 D HN 0.720 nan 8.370 nan 0.000 0.566 201 W N 0.208 121.459 121.300 -0.081 0.000 2.317 201 W HA -0.225 4.432 4.660 -0.004 0.000 0.318 201 W C 2.130 178.532 176.519 -0.195 0.000 1.227 201 W CA 2.268 59.549 57.345 -0.106 0.000 1.269 201 W CB -0.413 28.908 29.460 -0.232 0.000 1.155 201 W HN 0.189 nan 8.180 nan 0.000 0.484 202 V N -0.184 119.784 119.914 0.089 0.000 2.453 202 V HA -0.282 3.836 4.120 -0.004 0.000 0.247 202 V C 1.844 177.749 176.094 -0.315 0.000 1.048 202 V CA 1.970 64.198 62.300 -0.121 0.000 1.049 202 V CB -0.712 31.040 31.823 -0.118 0.000 0.672 202 V HN 0.301 nan 8.190 nan 0.000 0.457 203 Y N 0.503 120.614 120.300 -0.315 0.000 2.263 203 Y HA -0.156 4.392 4.550 -0.004 0.000 0.292 203 Y C 2.602 178.396 175.900 -0.176 0.000 1.130 203 Y CA 2.083 60.012 58.100 -0.283 0.000 1.179 203 Y CB -0.033 38.117 38.460 -0.517 0.000 0.998 203 Y HN 0.349 nan 8.280 nan 0.000 0.532 204 E N 0.383 120.540 120.200 -0.071 0.000 2.031 204 E HA -0.299 4.049 4.350 -0.004 0.000 0.193 204 E C 2.028 178.570 176.600 -0.097 0.000 0.994 204 E CA 1.600 57.982 56.400 -0.031 0.000 0.800 204 E CB 0.007 29.690 29.700 -0.028 0.000 0.752 204 E HN 0.435 nan 8.360 nan 0.000 0.447 205 E N 0.510 120.465 120.200 -0.409 0.000 2.016 205 E HA -0.169 4.179 4.350 -0.004 0.000 0.190 205 E C 1.782 178.254 176.600 -0.213 0.000 0.985 205 E CA 1.714 57.855 56.400 -0.432 0.000 0.802 205 E CB 0.017 29.094 29.700 -1.038 0.000 0.762 205 E HN 0.205 nan 8.360 nan 0.000 0.448 206 E N -0.522 119.531 120.200 -0.245 0.000 2.447 206 E HA 0.054 4.402 4.350 -0.004 0.000 0.195 206 E C 1.750 178.224 176.600 -0.210 0.000 1.028 206 E CA 0.448 56.753 56.400 -0.158 0.000 0.876 206 E CB 0.913 30.522 29.700 -0.151 0.000 0.885 206 E HN 0.243 nan 8.360 nan 0.000 0.500 207 V N -0.758 118.997 119.914 -0.264 0.000 2.870 207 V HA 0.057 4.175 4.120 -0.004 0.000 0.232 207 V C 1.368 177.237 176.094 -0.375 0.000 1.161 207 V CA 0.511 62.582 62.300 -0.381 0.000 1.204 207 V CB -0.332 31.167 31.823 -0.540 0.000 1.003 207 V HN 0.010 nan 8.190 nan 0.000 0.499 208 F N 0.747 120.721 119.950 0.039 0.000 2.765 208 F HA 0.312 4.836 4.527 -0.004 0.000 0.302 208 F C 1.527 177.286 175.800 -0.068 0.000 1.111 208 F CA 0.193 58.221 58.000 0.047 0.000 1.359 208 F CB -0.325 38.745 39.000 0.118 0.000 1.097 208 F HN 0.049 nan 8.300 nan 0.000 0.577 209 S N 0.787 116.492 115.700 0.008 0.000 3.491 209 S HA -0.006 4.462 4.470 -0.004 0.000 0.371 209 S C 0.109 174.296 174.600 -0.687 0.000 0.980 209 S CA 0.450 58.526 58.200 -0.206 0.000 1.204 209 S CB -1.526 61.608 63.200 -0.109 0.000 0.915 209 S HN 0.649 nan 8.310 nan 0.000 0.482 210 A N -0.465 122.170 122.820 -0.309 0.000 2.586 210 A HA 0.679 4.997 4.320 -0.004 0.000 0.291 210 A C -0.340 177.212 177.584 -0.053 0.000 1.062 210 A CA -0.489 51.385 52.037 -0.273 0.000 0.666 210 A CB 0.250 19.099 19.000 -0.252 0.000 1.281 210 A HN 0.323 nan 8.150 nan 0.000 0.421 211 Y N 1.519 121.646 120.300 -0.288 0.000 2.436 211 Y HA 0.176 4.724 4.550 -0.004 0.000 0.288 211 Y C 1.524 177.149 175.900 -0.458 0.000 1.112 211 Y CA 0.741 58.688 58.100 -0.256 0.000 1.220 211 Y CB -0.031 38.322 38.460 -0.179 0.000 1.073 211 Y HN 0.775 nan 8.280 nan 0.000 0.552 212 S N 0.706 115.896 115.700 -0.850 0.000 2.565 212 S HA 0.559 5.027 4.470 -0.004 0.000 0.276 212 S C 0.185 174.273 174.600 -0.853 0.000 1.326 212 S CA -0.130 57.369 58.200 -1.167 0.000 1.045 212 S CB 1.452 63.442 63.200 -2.017 0.000 0.918 212 S HN 0.435 nan 8.310 nan 0.000 0.505 213 A N 2.668 125.011 122.820 -0.796 0.000 3.176 213 A HA 0.554 4.871 4.320 -0.004 0.000 0.265 213 A C -0.579 176.393 177.584 -1.021 0.000 0.936 213 A CA -0.733 50.776 52.037 -0.881 0.000 1.033 213 A CB -0.609 18.270 19.000 -0.201 0.000 1.158 213 A HN 1.175 nan 8.150 nan 0.000 0.485 214 L N -4.679 115.736 121.223 -1.346 0.000 2.434 214 L HA 0.889 5.227 4.340 -0.004 0.000 0.260 214 L C -1.416 174.978 176.870 -0.794 0.000 0.983 214 L CA -1.293 53.100 54.840 -0.744 0.000 0.820 214 L CB 1.045 42.872 42.059 -0.388 0.000 1.361 214 L HN 0.243 nan 8.230 nan 0.000 0.410 215 W N 1.836 123.175 121.300 0.064 0.000 2.631 215 W HA 0.327 4.985 4.660 -0.003 0.000 0.321 215 W C -1.437 175.306 176.519 0.374 0.000 1.004 215 W CA -0.725 56.782 57.345 0.271 0.000 1.291 215 W CB 1.539 31.229 29.460 0.384 0.000 1.300 215 W HN 0.628 nan 8.180 nan 0.000 0.422 216 W N 2.497 123.996 121.300 0.332 0.000 2.181 216 W HA 0.191 4.849 4.660 -0.004 0.000 0.335 216 W C 1.358 177.718 176.519 -0.265 0.000 1.310 216 W CA 0.407 57.816 57.345 0.107 0.000 1.226 216 W CB 0.791 30.284 29.460 0.055 0.000 1.155 216 W HN 0.188 nan 8.180 nan 0.000 0.565 217 S N 2.529 117.995 115.700 -0.390 0.000 2.600 217 S HA 0.199 4.667 4.470 -0.004 0.000 0.265 217 S C -1.732 172.583 174.600 -0.475 0.000 1.325 217 S CA -1.024 56.348 58.200 -1.380 0.000 1.002 217 S CB 1.040 63.465 63.200 -1.292 0.000 0.921 217 S HN 0.295 nan 8.310 nan 0.000 0.554 218 P HA -0.176 nan 4.420 nan 0.000 0.216 218 P C 0.838 178.087 177.300 -0.085 0.000 1.154 218 P CA 1.775 64.813 63.100 -0.103 0.000 0.865 218 P CB -0.220 31.467 31.700 -0.022 0.000 0.789 219 N N -2.245 116.393 118.700 -0.103 0.000 2.230 219 N HA 0.145 4.883 4.740 -0.004 0.000 0.202 219 N C 1.081 176.506 175.510 -0.142 0.000 1.119 219 N CA 0.455 53.445 53.050 -0.100 0.000 0.851 219 N CB -0.612 37.833 38.487 -0.072 0.000 0.990 219 N HN 0.190 nan 8.380 nan 0.000 0.497 220 G N -0.985 107.736 108.800 -0.131 0.000 2.179 220 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.260 220 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.260 220 G C 0.981 175.914 174.900 0.054 0.000 0.977 220 G CA 0.735 45.768 45.100 -0.112 0.000 0.641 220 G HN 0.370 nan 8.290 nan 0.000 0.533 221 T N 0.102 114.612 114.554 -0.072 0.000 2.708 221 T HA 0.185 4.532 4.350 -0.004 0.000 0.266 221 T C 0.919 175.498 174.700 -0.203 0.000 1.037 221 T CA 1.334 63.301 62.100 -0.222 0.000 1.146 221 T CB -0.110 68.467 68.868 -0.485 0.000 0.865 221 T HN 0.283 nan 8.240 nan 0.000 0.435 222 F N 0.310 120.309 119.950 0.082 0.000 2.399 222 F HA 0.620 5.144 4.527 -0.004 0.000 0.328 222 F C -0.133 175.749 175.800 0.136 0.000 1.084 222 F CA -1.626 56.456 58.000 0.136 0.000 1.053 222 F CB 0.975 40.119 39.000 0.240 0.000 1.209 222 F HN -0.090 nan 8.300 nan 0.000 0.502 223 L N 2.485 123.877 121.223 0.282 0.000 2.404 223 L HA 0.802 5.140 4.340 -0.004 0.000 0.272 223 L C -0.822 176.146 176.870 0.163 0.000 0.980 223 L CA -0.487 54.331 54.840 -0.036 0.000 0.836 223 L CB 0.875 42.645 42.059 -0.482 0.000 1.238 223 L HN 0.654 nan 8.230 nan 0.000 0.408 224 A N 4.437 127.419 122.820 0.271 0.000 2.306 224 A HA 0.882 5.200 4.320 -0.004 0.000 0.330 224 A C -1.473 176.191 177.584 0.133 0.000 1.146 224 A CA -0.266 51.799 52.037 0.046 0.000 0.827 224 A CB 0.858 19.911 19.000 0.089 0.000 1.178 224 A HN 0.930 nan 8.150 nan 0.000 0.490 225 Y N -2.302 117.763 120.300 -0.391 0.000 2.656 225 Y HA 0.754 5.302 4.550 -0.003 0.000 0.334 225 Y C -0.378 175.348 175.900 -0.290 0.000 1.179 225 Y CA -0.927 57.067 58.100 -0.177 0.000 1.050 225 Y CB 0.751 39.072 38.460 -0.231 0.000 1.308 225 Y HN 0.985 nan 8.280 nan 0.000 0.456 226 A N 1.535 124.418 122.820 0.106 0.000 2.311 226 A HA 0.725 5.043 4.320 -0.004 0.000 0.334 226 A C -1.236 176.204 177.584 -0.240 0.000 1.139 226 A CA -0.842 51.107 52.037 -0.147 0.000 0.830 226 A CB 1.823 20.654 19.000 -0.280 0.000 1.234 226 A HN 0.805 nan 8.150 nan 0.000 0.483 227 Q N 0.841 120.430 119.800 -0.352 0.000 2.321 227 Q HA 0.614 4.952 4.340 -0.004 0.000 0.270 227 Q C -2.122 173.654 176.000 -0.373 0.000 1.032 227 Q CA -0.368 55.337 55.803 -0.163 0.000 0.784 227 Q CB 1.151 30.027 28.738 0.229 0.000 1.264 227 Q HN 0.589 nan 8.270 nan 0.000 0.448 228 F N 2.200 122.249 119.950 0.165 0.000 2.469 228 F HA 0.444 4.969 4.527 -0.004 0.000 0.332 228 F C 0.322 176.277 175.800 0.258 0.000 1.103 228 F CA -0.935 57.148 58.000 0.138 0.000 0.979 228 F CB 1.543 40.538 39.000 -0.008 0.000 1.137 228 F HN 0.430 nan 8.300 nan 0.000 0.463 229 N N 1.775 120.712 118.700 0.394 0.000 2.479 229 N HA 0.243 4.981 4.740 -0.004 0.000 0.261 229 N C -1.027 174.663 175.510 0.300 0.000 0.979 229 N CA -0.352 52.886 53.050 0.312 0.000 0.930 229 N CB 1.169 39.786 38.487 0.215 0.000 1.172 229 N HN 0.565 nan 8.380 nan 0.000 0.499 230 D N 1.430 122.025 120.400 0.324 0.000 2.462 230 D HA 0.141 4.779 4.640 -0.004 0.000 0.221 230 D C 1.191 177.610 176.300 0.198 0.000 1.173 230 D CA 0.058 54.222 54.000 0.274 0.000 0.831 230 D CB 0.577 41.592 40.800 0.359 0.000 1.001 230 D HN 0.456 nan 8.370 nan 0.000 0.499 231 T N 0.456 115.109 114.554 0.165 0.000 2.649 231 T HA -0.226 4.122 4.350 -0.004 0.000 0.268 231 T C 1.298 176.055 174.700 0.096 0.000 1.036 231 T CA 1.373 63.542 62.100 0.115 0.000 1.157 231 T CB -0.049 68.876 68.868 0.096 0.000 0.861 231 T HN 0.332 nan 8.240 nan 0.000 0.445 232 E N 0.340 120.597 120.200 0.096 0.000 2.465 232 E HA 0.183 4.530 4.350 -0.004 0.000 0.195 232 E C -0.447 176.202 176.600 0.081 0.000 1.028 232 E CA -0.223 56.223 56.400 0.076 0.000 0.899 232 E CB 0.586 30.325 29.700 0.064 0.000 1.032 232 E HN 0.219 nan 8.360 nan 0.000 0.468 233 V N 3.588 123.564 119.914 0.104 0.000 2.508 233 V HA 0.096 4.214 4.120 -0.004 0.000 0.281 233 V C -2.031 174.117 176.094 0.090 0.000 1.041 233 V CA -1.510 60.853 62.300 0.106 0.000 1.016 233 V CB 0.404 32.309 31.823 0.136 0.000 0.984 233 V HN 0.044 nan 8.190 nan 0.000 0.478 234 P HA 0.207 nan 4.420 nan 0.000 0.269 234 P C -0.664 176.668 177.300 0.054 0.000 1.209 234 P CA -0.147 62.985 63.100 0.054 0.000 0.776 234 P CB 0.472 32.203 31.700 0.050 0.000 0.876 235 L N 2.859 124.091 121.223 0.015 0.000 2.307 235 L HA 0.429 4.767 4.340 -0.004 0.000 0.282 235 L C 0.385 177.199 176.870 -0.094 0.000 1.051 235 L CA -0.895 53.935 54.840 -0.017 0.000 0.804 235 L CB 0.944 42.988 42.059 -0.025 0.000 1.197 235 L HN 0.312 nan 8.230 nan 0.000 0.431 236 I N 2.500 122.968 120.570 -0.170 0.000 2.440 236 I HA 0.300 4.468 4.170 -0.004 0.000 0.294 236 I C -0.422 175.532 176.117 -0.271 0.000 0.995 236 I CA 0.176 61.272 61.300 -0.340 0.000 1.306 236 I CB 1.049 38.605 38.000 -0.739 0.000 1.407 236 I HN 0.576 nan 8.210 nan 0.000 0.501 237 E N 6.939 126.993 120.200 -0.242 0.000 2.272 237 E HA 0.553 4.901 4.350 -0.004 0.000 0.269 237 E C -1.844 174.666 176.600 -0.149 0.000 0.877 237 E CA -0.600 55.654 56.400 -0.242 0.000 0.755 237 E CB 2.237 31.832 29.700 -0.175 0.000 1.192 237 E HN 0.572 nan 8.360 nan 0.000 0.422 238 Y N -1.879 118.328 120.300 -0.155 0.000 2.624 238 Y HA 0.529 5.076 4.550 -0.004 0.000 0.334 238 Y C -0.844 174.981 175.900 -0.126 0.000 1.155 238 Y CA -1.234 56.780 58.100 -0.143 0.000 1.046 238 Y CB 0.782 39.162 38.460 -0.134 0.000 1.316 238 Y HN 0.228 nan 8.280 nan 0.000 0.457 239 S N 1.840 117.533 115.700 -0.012 0.000 2.584 239 S HA 0.511 4.979 4.470 -0.004 0.000 0.273 239 S C -1.420 173.048 174.600 -0.221 0.000 1.311 239 S CA -0.363 57.688 58.200 -0.249 0.000 1.034 239 S CB 0.608 63.507 63.200 -0.502 0.000 0.939 239 S HN 0.539 nan 8.310 nan 0.000 0.513 240 F N 2.056 121.736 119.950 -0.450 0.000 2.539 240 F HA 0.429 4.954 4.527 -0.004 0.000 0.328 240 F C -0.317 175.245 175.800 -0.397 0.000 1.148 240 F CA -0.942 56.893 58.000 -0.275 0.000 0.940 240 F CB 0.755 39.726 39.000 -0.047 0.000 1.194 240 F HN 0.646 nan 8.300 nan 0.000 0.438 241 Y N 2.719 122.787 120.300 -0.387 0.000 2.365 241 Y HA 0.124 4.671 4.550 -0.004 0.000 0.293 241 Y C 1.713 177.520 175.900 -0.154 0.000 1.119 241 Y CA 1.098 59.068 58.100 -0.217 0.000 1.203 241 Y CB -0.613 37.719 38.460 -0.212 0.000 1.026 241 Y HN 0.718 nan 8.280 nan 0.000 0.549 242 S N -0.332 115.249 115.700 -0.199 0.000 3.633 242 S HA -0.206 4.261 4.470 -0.004 0.000 0.637 242 S C -0.677 173.963 174.600 0.067 0.000 2.289 242 S CA 0.072 58.322 58.200 0.083 0.000 2.476 242 S CB -1.123 62.227 63.200 0.249 0.000 0.330 242 S HN 0.469 nan 8.310 nan 0.000 1.787 243 D N 1.945 122.403 120.400 0.097 0.000 2.378 243 D HA 0.146 4.784 4.640 -0.004 0.000 0.238 243 D C 1.498 177.828 176.300 0.050 0.000 1.180 243 D CA 0.587 54.626 54.000 0.065 0.000 0.895 243 D CB 0.198 41.039 40.800 0.067 0.000 1.192 243 D HN 0.732 nan 8.370 nan 0.000 0.438 244 E N -0.464 119.754 120.200 0.029 0.000 2.401 244 E HA -0.183 4.165 4.350 -0.004 0.000 0.199 244 E C 1.260 177.870 176.600 0.017 0.000 1.023 244 E CA 0.911 57.320 56.400 0.015 0.000 0.859 244 E CB -0.071 29.629 29.700 -0.001 0.000 0.780 244 E HN 0.319 nan 8.360 nan 0.000 0.523 245 S N 0.587 116.304 115.700 0.028 0.000 2.453 245 S HA -0.100 4.368 4.470 -0.004 0.000 0.231 245 S C 0.943 175.564 174.600 0.035 0.000 1.005 245 S CA -0.060 58.156 58.200 0.028 0.000 0.949 245 S CB -0.315 62.905 63.200 0.033 0.000 0.774 245 S HN 0.313 nan 8.310 nan 0.000 0.510 246 L N 2.615 123.868 121.223 0.050 0.000 2.456 246 L HA 0.295 4.633 4.340 -0.004 0.000 0.277 246 L C 1.401 178.294 176.870 0.039 0.000 1.124 246 L CA 0.131 55.011 54.840 0.065 0.000 0.880 246 L CB 0.567 42.682 42.059 0.093 0.000 1.192 246 L HN 0.313 nan 8.230 nan 0.000 0.463 247 Q N 3.989 123.808 119.800 0.031 0.000 2.046 247 Q HA -0.100 4.238 4.340 -0.004 0.000 0.200 247 Q C -0.452 175.435 176.000 -0.188 0.000 0.975 247 Q CA 1.344 57.102 55.803 -0.076 0.000 0.836 247 Q CB 0.087 28.787 28.738 -0.064 0.000 0.896 247 Q HN 0.668 nan 8.270 nan 0.000 0.428 248 Y N 0.881 121.195 120.300 0.023 0.000 2.331 248 Y HA 0.369 4.917 4.550 -0.004 0.000 0.338 248 Y C -2.010 173.899 175.900 0.016 0.000 0.992 248 Y CA -2.839 55.271 58.100 0.016 0.000 1.121 248 Y CB 1.271 39.733 38.460 0.003 0.000 1.184 248 Y HN 0.181 nan 8.280 nan 0.000 0.469 249 P HA 0.007 nan 4.420 nan 0.000 0.268 249 P C -0.746 176.565 177.300 0.018 0.000 1.208 249 P CA -0.389 62.730 63.100 0.032 0.000 0.777 249 P CB 0.661 32.338 31.700 -0.038 0.000 0.875 250 K N 1.100 121.493 120.400 -0.011 0.000 2.130 250 K HA 0.345 4.663 4.320 -0.004 0.000 0.268 250 K C -0.752 175.806 176.600 -0.071 0.000 0.983 250 K CA -0.327 55.960 56.287 -0.001 0.000 0.893 250 K CB 0.595 33.131 32.500 0.061 0.000 1.066 250 K HN 0.302 nan 8.250 nan 0.000 0.450 251 T N 3.256 117.752 114.554 -0.095 0.000 2.801 251 T HA 0.199 4.547 4.350 -0.004 0.000 0.306 251 T C -0.581 173.989 174.700 -0.217 0.000 1.020 251 T CA -0.559 61.445 62.100 -0.160 0.000 0.948 251 T CB 0.775 69.562 68.868 -0.135 0.000 0.962 251 T HN 0.300 nan 8.240 nan 0.000 0.465 252 V N 5.787 125.478 119.914 -0.371 0.000 2.508 252 V HA 0.342 4.460 4.120 -0.004 0.000 0.281 252 V C 0.543 176.356 176.094 -0.468 0.000 1.041 252 V CA -0.196 61.834 62.300 -0.450 0.000 1.016 252 V CB 0.482 31.893 31.823 -0.687 0.000 0.984 252 V HN 0.693 nan 8.190 nan 0.000 0.478 253 R N 3.485 123.846 120.500 -0.231 0.000 2.451 253 R HA 0.687 5.025 4.340 -0.004 0.000 0.307 253 R C -1.296 174.985 176.300 -0.031 0.000 0.965 253 R CA -0.476 55.532 56.100 -0.154 0.000 0.865 253 R CB 2.222 32.461 30.300 -0.101 0.000 1.174 253 R HN 0.536 nan 8.270 nan 0.000 0.455 254 V N 3.963 123.861 119.914 -0.027 0.000 2.638 254 V HA 0.538 4.656 4.120 -0.004 0.000 0.306 254 V C -2.647 173.497 176.094 0.083 0.000 1.052 254 V CA -2.808 59.549 62.300 0.096 0.000 0.885 254 V CB 2.420 34.323 31.823 0.134 0.000 0.999 254 V HN 0.525 nan 8.190 nan 0.000 0.424 255 P HA 0.202 nan 4.420 nan 0.000 0.266 255 P C -1.765 175.640 177.300 0.175 0.000 1.215 255 P CA 0.584 63.788 63.100 0.174 0.000 0.763 255 P CB -0.244 31.604 31.700 0.248 0.000 0.806 256 Y N 6.275 126.550 120.300 -0.042 0.000 2.307 256 Y HA 0.357 4.905 4.550 -0.004 0.000 0.323 256 Y C -2.762 173.105 175.900 -0.056 0.000 1.100 256 Y CA -2.839 55.187 58.100 -0.123 0.000 1.140 256 Y CB 1.798 40.053 38.460 -0.342 0.000 1.159 256 Y HN 0.282 nan 8.280 nan 0.000 0.436 257 P HA 0.239 nan 4.420 nan 0.000 0.284 257 P C -0.807 176.563 177.300 0.116 0.000 1.343 257 P CA -0.145 63.005 63.100 0.084 0.000 0.826 257 P CB 1.195 32.920 31.700 0.041 0.000 0.956 258 K N 2.099 122.630 120.400 0.218 0.000 2.118 258 K HA 0.450 4.767 4.320 -0.004 0.000 0.240 258 K C 0.673 177.369 176.600 0.160 0.000 1.035 258 K CA -0.649 55.778 56.287 0.232 0.000 0.899 258 K CB 0.390 33.027 32.500 0.228 0.000 1.085 258 K HN 0.433 nan 8.250 nan 0.000 0.498 259 A N 0.643 123.581 122.820 0.195 0.000 2.566 259 A HA 0.271 4.589 4.320 -0.004 0.000 0.245 259 A C 1.174 178.791 177.584 0.055 0.000 1.056 259 A CA 0.953 53.093 52.037 0.172 0.000 0.757 259 A CB -1.256 17.918 19.000 0.290 0.000 0.979 259 A HN 0.887 nan 8.150 nan 0.000 0.508 260 G N 0.928 109.754 108.800 0.043 0.000 2.184 260 G HA2 0.097 4.055 3.960 -0.004 0.000 0.264 260 G HA3 0.097 4.055 3.960 -0.004 0.000 0.264 260 G C 0.648 175.560 174.900 0.020 0.000 0.975 260 G CA 0.801 45.901 45.100 0.000 0.000 0.642 260 G HN 2.161 nan 8.290 nan 0.000 0.536 261 A N -0.520 122.328 122.820 0.048 0.000 2.246 261 A HA 0.765 5.083 4.320 -0.004 0.000 0.291 261 A C 0.802 178.417 177.584 0.053 0.000 1.103 261 A CA 0.223 52.291 52.037 0.052 0.000 0.844 261 A CB 0.802 19.845 19.000 0.072 0.000 1.136 261 A HN 1.137 nan 8.150 nan 0.000 0.500 262 V N 2.603 122.548 119.914 0.053 0.000 2.485 262 V HA 0.013 4.131 4.120 -0.004 0.000 0.287 262 V C 0.259 176.397 176.094 0.074 0.000 1.022 262 V CA -0.040 62.293 62.300 0.054 0.000 1.067 262 V CB -0.452 31.404 31.823 0.054 0.000 0.967 262 V HN 0.781 nan 8.190 nan 0.000 0.479 263 N N 6.757 125.501 118.700 0.072 0.000 2.463 263 N HA 0.452 5.190 4.740 -0.004 0.000 0.270 263 N C -2.335 173.256 175.510 0.135 0.000 1.205 263 N CA -1.473 51.641 53.050 0.107 0.000 0.974 263 N CB 0.913 39.465 38.487 0.108 0.000 1.197 263 N HN 0.396 nan 8.380 nan 0.000 0.504 264 P HA 0.114 nan 4.420 nan 0.000 0.274 264 P C -0.337 177.125 177.300 0.270 0.000 1.231 264 P CA -0.198 63.056 63.100 0.257 0.000 0.790 264 P CB 0.541 32.439 31.700 0.330 0.000 0.951 265 T N -1.297 113.395 114.554 0.231 0.000 2.884 265 T HA 0.631 4.979 4.350 -0.004 0.000 0.277 265 T C -0.153 174.700 174.700 0.255 0.000 0.976 265 T CA -0.798 61.400 62.100 0.165 0.000 0.956 265 T CB 1.358 70.287 68.868 0.102 0.000 1.113 265 T HN 0.405 nan 8.240 nan 0.000 0.554 266 V N -0.275 119.758 119.914 0.198 0.000 3.077 266 V HA 0.701 4.819 4.120 -0.004 0.000 0.299 266 V C -1.954 174.228 176.094 0.148 0.000 1.276 266 V CA -0.870 61.522 62.300 0.152 0.000 0.993 266 V CB 2.150 34.100 31.823 0.213 0.000 1.076 266 V HN 1.119 nan 8.190 nan 0.000 0.434 267 K N 4.256 124.673 120.400 0.029 0.000 2.482 267 K HA 0.610 4.928 4.320 -0.004 0.000 0.257 267 K C -1.948 174.564 176.600 -0.147 0.000 0.969 267 K CA -0.556 55.703 56.287 -0.047 0.000 0.842 267 K CB 3.005 35.428 32.500 -0.128 0.000 1.359 267 K HN 0.550 nan 8.250 nan 0.000 0.441 268 F N 1.627 121.261 119.950 -0.527 0.000 2.540 268 F HA 0.585 5.110 4.527 -0.004 0.000 0.317 268 F C -1.482 173.803 175.800 -0.857 0.000 1.104 268 F CA -0.682 57.005 58.000 -0.521 0.000 0.913 268 F CB 0.986 39.797 39.000 -0.315 0.000 1.170 268 F HN 0.417 nan 8.300 nan 0.000 0.450 269 F N 3.390 122.605 119.950 -1.225 0.000 2.629 269 F HA 0.796 5.321 4.527 -0.003 0.000 0.316 269 F C -1.023 174.119 175.800 -1.096 0.000 1.081 269 F CA -1.246 56.157 58.000 -0.995 0.000 0.954 269 F CB 2.037 40.421 39.000 -1.026 0.000 1.337 269 F HN 0.147 nan 8.300 nan 0.000 0.474 270 V N 1.998 121.691 119.914 -0.368 0.000 2.668 270 V HA 0.587 4.705 4.120 -0.004 0.000 0.304 270 V C -1.249 174.919 176.094 0.123 0.000 1.071 270 V CA -0.788 61.373 62.300 -0.231 0.000 0.894 270 V CB 1.831 33.329 31.823 -0.541 0.000 1.008 270 V HN 0.642 nan 8.190 nan 0.000 0.425 271 V N 4.150 124.210 119.914 0.243 0.000 2.628 271 V HA 0.544 4.662 4.120 -0.004 0.000 0.306 271 V C -0.053 176.284 176.094 0.406 0.000 1.045 271 V CA -0.597 61.881 62.300 0.298 0.000 0.905 271 V CB 1.972 33.911 31.823 0.194 0.000 0.997 271 V HN 1.021 nan 8.190 nan 0.000 0.436 272 N N 3.184 122.108 118.700 0.373 0.000 2.439 272 N HA 0.125 4.863 4.740 -0.004 0.000 0.243 272 N C 1.236 176.760 175.510 0.023 0.000 1.088 272 N CA 0.340 53.494 53.050 0.173 0.000 0.940 272 N CB 1.118 39.685 38.487 0.134 0.000 1.180 272 N HN 0.908 nan 8.380 nan 0.000 0.505 273 T N 0.275 114.833 114.554 0.006 0.000 3.007 273 T HA -0.086 4.262 4.350 -0.004 0.000 0.270 273 T C 0.925 175.587 174.700 -0.063 0.000 1.107 273 T CA 0.861 62.962 62.100 0.003 0.000 1.118 273 T CB 0.025 68.992 68.868 0.165 0.000 0.889 273 T HN 0.382 nan 8.240 nan 0.000 0.506 274 D N 1.739 122.077 120.400 -0.104 0.000 2.312 274 D HA -0.009 4.629 4.640 -0.004 0.000 0.211 274 D C 2.256 178.497 176.300 -0.098 0.000 0.964 274 D CA 1.215 55.151 54.000 -0.108 0.000 0.877 274 D CB -0.084 40.631 40.800 -0.142 0.000 0.924 274 D HN 0.699 nan 8.370 nan 0.000 0.515 275 S N -0.632 115.013 115.700 -0.091 0.000 2.524 275 S HA 0.077 4.545 4.470 -0.004 0.000 0.216 275 S C 2.081 176.612 174.600 -0.116 0.000 0.987 275 S CA -0.216 57.945 58.200 -0.065 0.000 0.909 275 S CB -0.203 62.991 63.200 -0.010 0.000 0.781 275 S HN 0.159 nan 8.310 nan 0.000 0.521 276 L N 2.458 123.544 121.223 -0.229 0.000 2.021 276 L HA -0.148 4.190 4.340 -0.004 0.000 0.215 276 L C 2.886 179.468 176.870 -0.480 0.000 1.074 276 L CA 1.790 56.345 54.840 -0.475 0.000 0.760 276 L CB -0.958 40.548 42.059 -0.922 0.000 0.889 276 L HN 0.607 nan 8.230 nan 0.000 0.433 277 S N -2.784 112.721 115.700 -0.324 0.000 2.603 277 S HA 0.011 4.479 4.470 -0.004 0.000 0.220 277 S C 1.686 176.306 174.600 0.032 0.000 0.967 277 S CA 0.606 58.789 58.200 -0.027 0.000 0.920 277 S CB 0.334 63.579 63.200 0.075 0.000 0.773 277 S HN 0.247 nan 8.310 nan 0.000 0.529 278 S N 0.546 116.240 115.700 -0.010 0.000 2.497 278 S HA 0.344 4.811 4.470 -0.004 0.000 0.218 278 S C 0.583 175.201 174.600 0.029 0.000 1.023 278 S CA 0.159 58.369 58.200 0.018 0.000 0.913 278 S CB 0.536 63.740 63.200 0.007 0.000 0.800 278 S HN 0.640 nan 8.310 nan 0.000 0.505 279 V N -0.271 119.658 119.914 0.024 0.000 3.046 279 V HA 0.624 4.741 4.120 -0.004 0.000 0.316 279 V C 1.229 177.367 176.094 0.072 0.000 1.104 279 V CA -0.237 62.088 62.300 0.042 0.000 1.006 279 V CB 1.071 32.915 31.823 0.035 0.000 1.058 279 V HN 0.224 nan 8.190 nan 0.000 0.440 280 T N -1.533 113.064 114.554 0.072 0.000 2.851 280 T HA 0.046 4.394 4.350 -0.004 0.000 0.262 280 T C 0.779 175.548 174.700 0.116 0.000 1.043 280 T CA 1.489 63.647 62.100 0.096 0.000 1.140 280 T CB -0.349 68.554 68.868 0.058 0.000 0.872 280 T HN 0.738 nan 8.240 nan 0.000 0.446 281 N N 1.366 120.111 118.700 0.076 0.000 2.727 281 N HA 0.547 5.285 4.740 -0.004 0.000 0.252 281 N C -0.887 174.671 175.510 0.081 0.000 1.283 281 N CA -0.313 52.788 53.050 0.086 0.000 0.782 281 N CB 1.069 39.541 38.487 -0.024 0.000 1.199 281 N HN 0.597 nan 8.380 nan 0.000 0.520 282 A N 1.600 124.475 122.820 0.092 0.000 2.567 282 A HA 0.209 4.527 4.320 -0.004 0.000 0.240 282 A C 0.366 178.014 177.584 0.106 0.000 1.053 282 A CA 0.439 52.523 52.037 0.080 0.000 0.755 282 A CB -0.218 18.810 19.000 0.047 0.000 0.978 282 A HN 0.505 nan 8.150 nan 0.000 0.507 283 T N 3.009 117.631 114.554 0.114 0.000 2.814 283 T HA 0.277 4.625 4.350 -0.004 0.000 0.297 283 T C 0.487 175.288 174.700 0.167 0.000 0.956 283 T CA 0.148 62.324 62.100 0.127 0.000 1.123 283 T CB 0.550 69.494 68.868 0.127 0.000 0.902 283 T HN 0.546 nan 8.240 nan 0.000 0.528 284 S N 4.137 119.925 115.700 0.147 0.000 2.400 284 S HA 0.248 4.716 4.470 -0.004 0.000 0.295 284 S C 0.439 175.188 174.600 0.249 0.000 1.113 284 S CA -0.726 57.573 58.200 0.164 0.000 1.064 284 S CB -0.194 63.024 63.200 0.029 0.000 0.990 284 S HN 0.432 nan 8.310 nan 0.000 0.502 285 I N 3.850 124.577 120.570 0.261 0.000 2.396 285 I HA 0.163 4.331 4.170 -0.004 0.000 0.289 285 I C 0.738 176.965 176.117 0.183 0.000 1.056 285 I CA -0.054 61.407 61.300 0.268 0.000 1.365 285 I CB 0.329 38.563 38.000 0.389 0.000 1.407 285 I HN 0.635 nan 8.210 nan 0.000 0.509 286 Q N 6.628 126.511 119.800 0.139 0.000 2.293 286 Q HA 0.457 4.795 4.340 -0.004 0.000 0.251 286 Q C -1.081 174.857 176.000 -0.103 0.000 0.930 286 Q CA -0.359 55.343 55.803 -0.169 0.000 0.893 286 Q CB 1.185 29.751 28.738 -0.286 0.000 1.215 286 Q HN 0.575 nan 8.270 nan 0.000 0.425 287 I N 4.283 124.771 120.570 -0.137 0.000 2.390 287 I HA 0.197 4.364 4.170 -0.004 0.000 0.283 287 I C 0.144 176.242 176.117 -0.032 0.000 1.016 287 I CA -0.775 60.515 61.300 -0.017 0.000 1.151 287 I CB 1.437 39.465 38.000 0.047 0.000 1.293 287 I HN 0.713 nan 8.210 nan 0.000 0.458 288 T N 2.807 117.304 114.554 -0.095 0.000 2.899 288 T HA 0.594 4.942 4.350 -0.004 0.000 0.295 288 T C 0.449 174.943 174.700 -0.344 0.000 1.033 288 T CA -0.766 61.221 62.100 -0.188 0.000 1.084 288 T CB 1.561 70.322 68.868 -0.178 0.000 0.979 288 T HN 0.568 nan 8.240 nan 0.000 0.532 289 A N 3.625 126.018 122.820 -0.711 0.000 2.366 289 A HA 0.563 4.881 4.320 -0.004 0.000 0.249 289 A C -1.778 175.334 177.584 -0.786 0.000 1.084 289 A CA -1.552 49.661 52.037 -1.372 0.000 0.794 289 A CB -0.594 17.250 19.000 -1.927 0.000 1.034 289 A HN 0.835 nan 8.150 nan 0.000 0.491 290 P HA 0.177 nan 4.420 nan 0.000 0.272 290 P C 0.740 177.833 177.300 -0.345 0.000 1.223 290 P CA 0.498 63.368 63.100 -0.384 0.000 0.784 290 P CB 0.983 32.524 31.700 -0.265 0.000 0.923 291 A N 2.961 125.645 122.820 -0.226 0.000 1.958 291 A HA -0.230 4.088 4.320 -0.004 0.000 0.221 291 A C 2.169 179.648 177.584 -0.174 0.000 1.178 291 A CA 2.602 54.530 52.037 -0.183 0.000 0.642 291 A CB -1.893 17.032 19.000 -0.125 0.000 0.816 291 A HN 0.688 nan 8.150 nan 0.000 0.453 292 S N -1.555 114.060 115.700 -0.141 0.000 2.500 292 S HA -0.065 4.403 4.470 -0.004 0.000 0.239 292 S C 1.598 176.119 174.600 -0.132 0.000 0.989 292 S CA 1.508 59.647 58.200 -0.102 0.000 0.951 292 S CB -0.218 62.992 63.200 0.016 0.000 0.759 292 S HN 0.450 nan 8.310 nan 0.000 0.523 293 M N 0.401 119.853 119.600 -0.247 0.000 2.730 293 M HA 0.382 4.859 4.480 -0.004 0.000 0.258 293 M C 1.852 177.892 176.300 -0.432 0.000 1.279 293 M CA 0.533 55.623 55.300 -0.351 0.000 1.183 293 M CB -0.926 31.313 32.600 -0.601 0.000 1.291 293 M HN 0.298 nan 8.290 nan 0.000 0.518 294 L N 1.213 122.174 121.223 -0.437 0.000 2.353 294 L HA -0.152 4.186 4.340 -0.004 0.000 0.220 294 L C 2.337 179.141 176.870 -0.110 0.000 1.133 294 L CA 0.773 55.448 54.840 -0.276 0.000 0.798 294 L CB -0.912 41.001 42.059 -0.244 0.000 0.922 294 L HN 0.323 nan 8.230 nan 0.000 0.445 295 I N -2.472 118.032 120.570 -0.110 0.000 2.493 295 I HA 0.053 4.221 4.170 -0.004 0.000 0.254 295 I C 1.138 177.237 176.117 -0.031 0.000 1.160 295 I CA 0.875 62.135 61.300 -0.067 0.000 1.445 295 I CB -0.545 37.407 38.000 -0.080 0.000 1.086 295 I HN 0.097 nan 8.210 nan 0.000 0.433 296 G N 0.132 108.931 108.800 -0.002 0.000 2.921 296 G HA2 0.338 4.296 3.960 -0.004 0.000 0.291 296 G HA3 0.338 4.296 3.960 -0.004 0.000 0.291 296 G C -1.691 173.272 174.900 0.106 0.000 1.370 296 G CA -0.545 44.570 45.100 0.025 0.000 0.847 296 G HN 0.024 nan 8.290 nan 0.000 0.532 297 D N 0.957 121.364 120.400 0.012 0.000 2.414 297 D HA 0.386 5.024 4.640 -0.004 0.000 0.242 297 D C 0.355 176.589 176.300 -0.109 0.000 1.129 297 D CA 0.614 54.557 54.000 -0.095 0.000 0.885 297 D CB 0.628 41.337 40.800 -0.152 0.000 1.198 297 D HN 0.534 nan 8.370 nan 0.000 0.437 298 H N -1.003 117.935 119.070 -0.220 0.000 2.928 298 H HA 0.470 5.024 4.556 -0.004 0.000 0.285 298 H C -1.321 173.874 175.328 -0.223 0.000 1.438 298 H CA -0.789 55.124 56.048 -0.225 0.000 1.176 298 H CB 0.455 30.221 29.762 0.008 0.000 1.864 298 H HN 0.297 nan 8.280 nan 0.000 0.567 299 Y N -0.126 120.421 120.300 0.411 0.000 2.553 299 Y HA 0.394 4.942 4.550 -0.003 0.000 0.347 299 Y C -0.523 175.670 175.900 0.488 0.000 1.019 299 Y CA -1.114 57.232 58.100 0.410 0.000 1.032 299 Y CB 2.020 40.578 38.460 0.163 0.000 1.284 299 Y HN 0.487 nan 8.280 nan 0.000 0.466 300 L N 3.145 124.742 121.223 0.622 0.000 2.265 300 L HA 0.439 4.777 4.340 -0.004 0.000 0.288 300 L C 0.412 177.370 176.870 0.146 0.000 1.058 300 L CA -0.294 54.568 54.840 0.036 0.000 0.809 300 L CB 0.473 42.457 42.059 -0.124 0.000 1.179 300 L HN 0.973 nan 8.230 nan 0.000 0.429 301 C N 1.357 120.590 119.300 -0.112 0.000 3.183 301 C HA 0.530 4.987 4.460 -0.004 0.000 0.285 301 C C 0.152 174.966 174.990 -0.294 0.000 1.313 301 C CA -0.431 58.444 59.018 -0.238 0.000 1.711 301 C CB -0.773 26.881 27.740 -0.143 0.000 2.135 301 C HN 0.851 nan 8.230 nan 0.000 0.651 302 D N 0.078 120.350 120.400 -0.214 0.000 2.769 302 D HA 0.441 5.079 4.640 -0.004 0.000 0.219 302 D C -1.861 174.196 176.300 -0.405 0.000 1.245 302 D CA 0.131 54.036 54.000 -0.157 0.000 0.801 302 D CB 2.739 43.429 40.800 -0.184 0.000 1.598 302 D HN 0.063 nan 8.370 nan 0.000 0.485 303 V N 2.039 121.664 119.914 -0.481 0.000 2.623 303 V HA 0.646 4.764 4.120 -0.004 0.000 0.304 303 V C -0.472 175.246 176.094 -0.627 0.000 1.054 303 V CA -0.414 61.336 62.300 -0.917 0.000 0.882 303 V CB 2.054 32.758 31.823 -1.865 0.000 1.002 303 V HN 0.661 nan 8.190 nan 0.000 0.424 304 T N 3.169 117.418 114.554 -0.510 0.000 3.237 304 T HA 0.345 4.693 4.350 -0.004 0.000 0.319 304 T C -1.030 173.524 174.700 -0.243 0.000 1.037 304 T CA -0.514 61.458 62.100 -0.214 0.000 1.048 304 T CB 0.875 69.698 68.868 -0.075 0.000 1.081 304 T HN 0.524 nan 8.240 nan 0.000 0.455 305 W N 1.789 123.016 121.300 -0.121 0.000 2.202 305 W HA 0.529 5.187 4.660 -0.003 0.000 0.332 305 W C 1.125 177.474 176.519 -0.284 0.000 1.263 305 W CA -0.245 57.011 57.345 -0.148 0.000 1.223 305 W CB 0.653 30.115 29.460 0.003 0.000 1.128 305 W HN 0.825 nan 8.180 nan 0.000 0.573 306 A N 1.098 123.799 122.820 -0.198 0.000 1.970 306 A HA 0.254 4.572 4.320 -0.004 0.000 0.204 306 A C 0.761 178.293 177.584 -0.088 0.000 1.325 306 A CA 1.409 53.078 52.037 -0.614 0.000 0.767 306 A CB -0.319 17.886 19.000 -1.325 0.000 0.949 306 A HN 0.535 nan 8.150 nan 0.000 0.481 307 T N -5.450 109.158 114.554 0.091 0.000 2.647 307 T HA 0.327 4.675 4.350 -0.004 0.000 0.295 307 T C 0.115 174.957 174.700 0.238 0.000 1.126 307 T CA -0.284 61.907 62.100 0.152 0.000 1.040 307 T CB 0.609 69.558 68.868 0.136 0.000 1.472 307 T HN -0.065 nan 8.240 nan 0.000 0.500 308 Q N 0.366 120.276 119.800 0.182 0.000 2.226 308 Q HA 0.033 4.371 4.340 -0.004 0.000 0.204 308 Q C 0.713 176.943 176.000 0.384 0.000 0.975 308 Q CA 1.493 57.406 55.803 0.184 0.000 0.866 308 Q CB -0.139 28.675 28.738 0.127 0.000 0.915 308 Q HN 0.820 nan 8.270 nan 0.000 0.440 309 E N -0.234 120.202 120.200 0.395 0.000 2.968 309 E HA 0.231 4.579 4.350 -0.004 0.000 0.202 309 E C -0.384 176.492 176.600 0.460 0.000 0.979 309 E CA -0.151 56.518 56.400 0.448 0.000 1.192 309 E CB 1.042 30.906 29.700 0.273 0.000 1.059 309 E HN -0.056 nan 8.360 nan 0.000 0.470 310 R N 1.617 122.419 120.500 0.502 0.000 2.515 310 R HA 0.487 4.825 4.340 -0.004 0.000 0.291 310 R C -1.788 174.562 176.300 0.083 0.000 1.046 310 R CA -0.457 55.813 56.100 0.282 0.000 0.914 310 R CB 1.397 31.752 30.300 0.091 0.000 1.191 310 R HN 0.131 nan 8.270 nan 0.000 0.435 311 I N 2.960 123.413 120.570 -0.196 0.000 2.569 311 I HA 0.421 4.589 4.170 -0.004 0.000 0.296 311 I C -0.722 175.088 176.117 -0.513 0.000 1.028 311 I CA -0.443 60.453 61.300 -0.674 0.000 1.082 311 I CB 2.149 39.303 38.000 -1.409 0.000 1.264 311 I HN 0.774 nan 8.210 nan 0.000 0.429 312 S N 7.614 122.999 115.700 -0.525 0.000 2.501 312 S HA 0.782 5.250 4.470 -0.004 0.000 0.301 312 S C -0.999 173.286 174.600 -0.524 0.000 1.096 312 S CA -0.720 57.249 58.200 -0.386 0.000 1.063 312 S CB 1.660 64.744 63.200 -0.192 0.000 1.042 312 S HN 0.571 nan 8.310 nan 0.000 0.494 313 L N 1.804 122.736 121.223 -0.484 0.000 2.401 313 L HA 0.548 4.886 4.340 -0.004 0.000 0.266 313 L C -0.517 176.058 176.870 -0.490 0.000 0.991 313 L CA -0.662 53.782 54.840 -0.660 0.000 0.818 313 L CB 2.317 43.876 42.059 -0.835 0.000 1.321 313 L HN 0.698 nan 8.230 nan 0.000 0.413 314 Q N 1.601 121.063 119.800 -0.564 0.000 2.333 314 Q HA 0.435 4.773 4.340 -0.004 0.000 0.267 314 Q C -1.750 174.010 176.000 -0.399 0.000 1.012 314 Q CA -0.599 55.003 55.803 -0.335 0.000 0.824 314 Q CB 2.544 31.141 28.738 -0.235 0.000 1.290 314 Q HN 0.409 nan 8.270 nan 0.000 0.449 315 W N 2.272 123.531 121.300 -0.067 0.000 2.639 315 W HA 0.649 5.307 4.660 -0.003 0.000 0.347 315 W C -0.870 175.687 176.519 0.063 0.000 1.067 315 W CA -0.672 56.683 57.345 0.016 0.000 1.218 315 W CB 1.083 30.532 29.460 -0.017 0.000 1.393 315 W HN 0.382 nan 8.180 nan 0.000 0.557 316 L N 2.407 123.868 121.223 0.396 0.000 2.436 316 L HA 0.541 4.879 4.340 -0.004 0.000 0.268 316 L C -0.188 176.877 176.870 0.325 0.000 0.974 316 L CA -1.101 53.930 54.840 0.319 0.000 0.826 316 L CB 1.353 43.585 42.059 0.288 0.000 1.291 316 L HN 0.393 nan 8.230 nan 0.000 0.406 317 R N 2.596 123.250 120.500 0.256 0.000 2.643 317 R HA 0.199 4.537 4.340 -0.004 0.000 0.270 317 R C 1.024 177.373 176.300 0.082 0.000 1.061 317 R CA -0.149 56.043 56.100 0.153 0.000 1.107 317 R CB 0.582 30.963 30.300 0.134 0.000 0.999 317 R HN 0.648 nan 8.270 nan 0.000 0.460 318 R N 1.552 122.001 120.500 -0.086 0.000 2.139 318 R HA -0.105 4.232 4.340 -0.004 0.000 0.243 318 R C 0.377 176.720 176.300 0.071 0.000 1.145 318 R CA 1.180 57.207 56.100 -0.122 0.000 0.976 318 R CB 0.162 30.358 30.300 -0.173 0.000 0.866 318 R HN 0.385 nan 8.270 nan 0.000 0.449 319 I N 2.855 123.461 120.570 0.060 0.000 2.260 319 I HA 0.018 4.186 4.170 -0.004 0.000 0.297 319 I C 0.152 176.336 176.117 0.111 0.000 1.143 319 I CA 0.238 61.580 61.300 0.071 0.000 1.271 319 I CB 0.800 38.828 38.000 0.046 0.000 1.461 319 I HN 0.244 nan 8.210 nan 0.000 0.530 320 Q N 4.548 124.419 119.800 0.119 0.000 2.185 320 Q HA -0.091 4.247 4.340 -0.004 0.000 0.179 320 Q C 0.600 176.690 176.000 0.151 0.000 0.810 320 Q CA 0.173 56.061 55.803 0.140 0.000 1.021 320 Q CB -0.407 28.378 28.738 0.078 0.000 1.244 320 Q HN 0.614 nan 8.270 nan 0.000 0.404 321 N N -0.839 117.952 118.700 0.153 0.000 2.238 321 N HA -0.021 4.717 4.740 -0.004 0.000 0.235 321 N C -1.160 174.471 175.510 0.201 0.000 1.209 321 N CA -0.261 52.871 53.050 0.136 0.000 0.879 321 N CB 0.387 38.929 38.487 0.090 0.000 1.136 321 N HN 0.206 nan 8.380 nan 0.000 0.517 322 Y N 1.190 121.524 120.300 0.056 0.000 2.358 322 Y HA 0.527 5.075 4.550 -0.004 0.000 0.324 322 Y C -1.318 174.625 175.900 0.071 0.000 1.123 322 Y CA -0.793 57.338 58.100 0.051 0.000 1.067 322 Y CB 1.502 39.983 38.460 0.035 0.000 1.230 322 Y HN 0.176 nan 8.280 nan 0.000 0.429 323 S N 4.195 119.798 115.700 -0.161 0.000 2.569 323 S HA 0.925 5.393 4.470 -0.004 0.000 0.280 323 S C -1.967 172.537 174.600 -0.159 0.000 1.111 323 S CA -0.756 57.420 58.200 -0.040 0.000 0.887 323 S CB 1.923 65.126 63.200 0.005 0.000 1.095 323 S HN 0.467 nan 8.310 nan 0.000 0.476 324 V N 2.914 122.831 119.914 0.006 0.000 2.735 324 V HA 0.591 4.709 4.120 -0.004 0.000 0.310 324 V C -0.553 175.581 176.094 0.066 0.000 1.061 324 V CA -0.689 61.616 62.300 0.009 0.000 0.913 324 V CB 1.949 33.807 31.823 0.058 0.000 1.005 324 V HN 1.026 nan 8.190 nan 0.000 0.428 325 M N 3.526 123.137 119.600 0.018 0.000 2.167 325 M HA 0.531 5.009 4.480 -0.004 0.000 0.333 325 M C -1.553 174.764 176.300 0.027 0.000 1.030 325 M CA -0.385 54.900 55.300 -0.024 0.000 0.963 325 M CB 1.300 33.819 32.600 -0.133 0.000 1.589 325 M HN 0.621 nan 8.290 nan 0.000 0.431 326 D N 4.950 125.362 120.400 0.020 0.000 2.181 326 D HA 0.543 5.181 4.640 -0.004 0.000 0.248 326 D C -0.933 175.345 176.300 -0.037 0.000 1.020 326 D CA -0.034 53.977 54.000 0.019 0.000 0.891 326 D CB 1.975 42.804 40.800 0.047 0.000 1.187 326 D HN 0.609 nan 8.370 nan 0.000 0.443 327 I N 2.296 122.869 120.570 0.005 0.000 2.420 327 I HA 0.247 4.415 4.170 -0.004 0.000 0.282 327 I C -0.619 175.510 176.117 0.019 0.000 1.019 327 I CA -0.565 60.735 61.300 0.001 0.000 1.130 327 I CB 1.139 39.202 38.000 0.104 0.000 1.262 327 I HN 0.174 nan 8.210 nan 0.000 0.454 328 c N 3.782 122.381 118.600 -0.002 0.000 2.355 328 c HA 0.566 5.134 4.570 -0.004 0.000 0.332 328 c C -0.151 174.098 174.090 0.265 0.000 1.255 328 c CA -0.690 55.708 56.329 0.115 0.000 1.792 328 c CB 0.887 43.465 42.510 0.112 0.000 2.300 328 c HN 0.575 nan 8.230 nan 0.000 0.515 329 D N -0.036 120.501 120.400 0.228 0.000 2.252 329 D HA 0.349 4.986 4.640 -0.004 0.000 0.245 329 D C -0.760 175.461 176.300 -0.133 0.000 1.009 329 D CA -0.228 53.852 54.000 0.134 0.000 0.870 329 D CB 0.855 41.685 40.800 0.049 0.000 1.251 329 D HN 0.581 nan 8.370 nan 0.000 0.460 330 Y N 1.557 121.458 120.300 -0.666 0.000 2.335 330 Y HA 0.177 4.725 4.550 -0.003 0.000 0.331 330 Y C -0.105 175.501 175.900 -0.491 0.000 1.094 330 Y CA -0.059 57.351 58.100 -1.150 0.000 1.253 330 Y CB 0.787 38.496 38.460 -1.251 0.000 1.203 330 Y HN 0.194 nan 8.280 nan 0.000 0.508 331 D N 6.210 125.998 120.400 -1.021 0.000 2.467 331 D HA 0.038 4.676 4.640 -0.004 0.000 0.220 331 D C 0.722 176.487 176.300 -0.890 0.000 1.103 331 D CA -0.025 53.576 54.000 -0.665 0.000 0.886 331 D CB 0.745 41.293 40.800 -0.420 0.000 1.025 331 D HN 0.952 nan 8.370 nan 0.000 0.514 332 E N 1.800 121.650 120.200 -0.583 0.000 2.219 332 E HA -0.214 4.134 4.350 -0.004 0.000 0.198 332 E C 1.439 177.935 176.600 -0.173 0.000 0.998 332 E CA 1.108 57.343 56.400 -0.276 0.000 0.818 332 E CB 0.365 30.077 29.700 0.020 0.000 0.741 332 E HN 0.454 nan 8.360 nan 0.000 0.477 333 S N -0.770 114.823 115.700 -0.178 0.000 2.501 333 S HA -0.027 4.441 4.470 -0.004 0.000 0.220 333 S C 1.808 176.343 174.600 -0.108 0.000 0.997 333 S CA 0.789 58.927 58.200 -0.102 0.000 0.919 333 S CB 0.333 63.486 63.200 -0.077 0.000 0.778 333 S HN 0.225 nan 8.310 nan 0.000 0.523 334 S N -0.543 115.049 115.700 -0.181 0.000 2.578 334 S HA 0.475 4.943 4.470 -0.004 0.000 0.228 334 S C 1.531 176.047 174.600 -0.142 0.000 1.022 334 S CA 0.482 58.601 58.200 -0.136 0.000 0.967 334 S CB -0.292 62.828 63.200 -0.132 0.000 0.914 334 S HN 1.398 nan 8.310 nan 0.000 0.515 335 G N 2.286 110.927 108.800 -0.265 0.000 2.233 335 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.270 335 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.270 335 G C 0.107 174.956 174.900 -0.086 0.000 1.011 335 G CA 0.409 45.433 45.100 -0.126 0.000 0.762 335 G HN 0.518 nan 8.290 nan 0.000 0.511 336 R N -1.729 118.602 120.500 -0.282 0.000 2.782 336 R HA 0.669 5.007 4.340 -0.004 0.000 0.258 336 R C -0.689 175.451 176.300 -0.267 0.000 1.055 336 R CA -1.013 55.021 56.100 -0.111 0.000 1.065 336 R CB 0.659 30.918 30.300 -0.069 0.000 1.172 336 R HN 0.196 nan 8.270 nan 0.000 0.510 337 W N 0.357 121.643 121.300 -0.023 0.000 2.532 337 W HA 0.418 5.075 4.660 -0.004 0.000 0.321 337 W C -0.276 176.217 176.519 -0.043 0.000 1.037 337 W CA -0.347 56.985 57.345 -0.022 0.000 1.220 337 W CB 1.192 30.648 29.460 -0.008 0.000 1.361 337 W HN 0.394 nan 8.180 nan 0.000 0.468 338 N N 2.030 120.803 118.700 0.120 0.000 2.314 338 N HA 0.557 5.294 4.740 -0.004 0.000 0.294 338 N C -1.574 173.977 175.510 0.068 0.000 1.029 338 N CA -0.653 52.434 53.050 0.062 0.000 0.845 338 N CB 1.310 39.792 38.487 -0.007 0.000 1.321 338 N HN 0.206 nan 8.380 nan 0.000 0.481 339 c N 2.861 121.487 118.600 0.044 0.000 2.264 339 c HA 0.413 4.980 4.570 -0.004 0.000 0.322 339 c C 0.334 174.428 174.090 0.006 0.000 1.210 339 c CA -1.169 55.178 56.329 0.029 0.000 1.539 339 c CB -1.190 41.329 42.510 0.016 0.000 2.167 339 c HN 0.581 nan 8.230 nan 0.000 0.463 340 L N 2.879 124.108 121.223 0.011 0.000 2.410 340 L HA 0.090 4.428 4.340 -0.004 0.000 0.273 340 L C 1.618 178.479 176.870 -0.016 0.000 1.144 340 L CA 0.151 54.989 54.840 -0.003 0.000 0.863 340 L CB 0.769 42.831 42.059 0.004 0.000 1.140 340 L HN 0.689 nan 8.230 nan 0.000 0.463 341 V N 4.335 124.232 119.914 -0.029 0.000 2.688 341 V HA -0.292 3.826 4.120 -0.004 0.000 0.256 341 V C 2.234 178.292 176.094 -0.060 0.000 1.084 341 V CA 2.214 64.488 62.300 -0.044 0.000 1.103 341 V CB -0.052 31.745 31.823 -0.043 0.000 0.688 341 V HN 0.994 nan 8.190 nan 0.000 0.480 342 A N -0.138 122.654 122.820 -0.046 0.000 2.121 342 A HA -0.071 4.247 4.320 -0.004 0.000 0.218 342 A C 2.154 179.693 177.584 -0.076 0.000 1.154 342 A CA 1.342 53.346 52.037 -0.055 0.000 0.679 342 A CB -0.379 18.604 19.000 -0.028 0.000 0.795 342 A HN 0.651 nan 8.150 nan 0.000 0.458 343 R N -0.903 119.567 120.500 -0.050 0.000 2.432 343 R HA 0.164 4.502 4.340 -0.004 0.000 0.260 343 R C 0.476 176.735 176.300 -0.067 0.000 0.935 343 R CA -0.184 55.916 56.100 0.001 0.000 1.080 343 R CB 0.230 30.591 30.300 0.103 0.000 1.155 343 R HN 0.583 nan 8.270 nan 0.000 0.531 344 Q N 0.949 120.650 119.800 -0.165 0.000 2.288 344 Q HA 0.098 4.436 4.340 -0.004 0.000 0.254 344 Q C -1.121 174.687 176.000 -0.321 0.000 0.932 344 Q CA -0.056 55.672 55.803 -0.124 0.000 0.902 344 Q CB 0.667 29.358 28.738 -0.080 0.000 1.203 344 Q HN 0.222 nan 8.270 nan 0.000 0.415 345 H N 2.776 121.837 119.070 -0.015 0.000 2.529 345 H HA 0.429 4.983 4.556 -0.004 0.000 0.348 345 H C -0.790 174.500 175.328 -0.064 0.000 1.079 345 H CA -0.485 55.555 56.048 -0.013 0.000 1.198 345 H CB 1.204 30.943 29.762 -0.037 0.000 1.521 345 H HN 0.522 nan 8.280 nan 0.000 0.514 346 I N 1.982 122.568 120.570 0.026 0.000 2.437 346 I HA 0.271 4.439 4.170 -0.004 0.000 0.298 346 I C -0.051 176.009 176.117 -0.095 0.000 0.984 346 I CA -0.272 60.955 61.300 -0.121 0.000 1.214 346 I CB 1.448 39.352 38.000 -0.159 0.000 1.365 346 I HN 0.580 nan 8.210 nan 0.000 0.469 347 E N 7.962 128.045 120.200 -0.195 0.000 2.281 347 E HA 0.520 4.868 4.350 -0.004 0.000 0.266 347 E C -1.353 175.154 176.600 -0.155 0.000 0.893 347 E CA -0.638 55.702 56.400 -0.100 0.000 0.798 347 E CB 1.459 31.135 29.700 -0.040 0.000 1.245 347 E HN 0.626 nan 8.360 nan 0.000 0.410 348 M N 1.105 120.654 119.600 -0.085 0.000 2.667 348 M HA 0.661 5.139 4.480 -0.004 0.000 0.286 348 M C -1.025 175.284 176.300 0.015 0.000 1.270 348 M CA -0.979 54.305 55.300 -0.027 0.000 0.826 348 M CB 2.308 34.929 32.600 0.035 0.000 1.743 348 M HN 0.217 nan 8.290 nan 0.000 0.460 349 S N -0.476 115.241 115.700 0.027 0.000 2.557 349 S HA 0.520 4.988 4.470 -0.004 0.000 0.291 349 S C 0.317 174.915 174.600 -0.003 0.000 1.116 349 S CA -0.035 58.164 58.200 -0.002 0.000 0.992 349 S CB 1.672 64.840 63.200 -0.053 0.000 1.028 349 S HN 0.909 nan 8.310 nan 0.000 0.484 350 T N 0.247 114.800 114.554 -0.003 0.000 3.051 350 T HA 0.027 4.375 4.350 -0.004 0.000 0.255 350 T C 1.532 176.217 174.700 -0.025 0.000 1.085 350 T CA 1.060 63.159 62.100 -0.002 0.000 1.109 350 T CB -0.501 68.370 68.868 0.006 0.000 0.921 350 T HN 0.684 nan 8.240 nan 0.000 0.488 351 T N -2.013 112.519 114.554 -0.037 0.000 3.037 351 T HA 0.603 4.951 4.350 -0.004 0.000 0.251 351 T C 1.121 175.658 174.700 -0.271 0.000 1.079 351 T CA 0.295 62.370 62.100 -0.042 0.000 1.067 351 T CB 0.392 69.305 68.868 0.075 0.000 0.948 351 T HN 0.625 nan 8.240 nan 0.000 0.496 352 G N 0.339 108.815 108.800 -0.541 0.000 2.696 352 G HA2 0.479 4.437 3.960 -0.004 0.000 0.151 352 G HA3 0.479 4.437 3.960 -0.004 0.000 0.151 352 G C -1.534 173.087 174.900 -0.465 0.000 1.197 352 G CA -0.541 43.977 45.100 -0.969 0.000 1.053 352 G HN 0.461 nan 8.290 nan 0.000 0.546 353 W N -0.304 120.738 121.300 -0.429 0.000 2.380 353 W HA 0.772 5.430 4.660 -0.004 0.000 0.441 353 W C -0.430 176.050 176.519 -0.064 0.000 1.762 353 W CA -1.237 55.995 57.345 -0.188 0.000 1.905 353 W CB 0.417 29.745 29.460 -0.220 0.000 1.624 353 W HN 0.276 nan 8.180 nan 0.000 0.717 354 V N 2.457 122.481 119.914 0.183 0.000 2.398 354 V HA 0.733 4.851 4.120 -0.004 0.000 0.286 354 V C 0.655 176.847 176.094 0.164 0.000 1.026 354 V CA 0.172 62.525 62.300 0.089 0.000 0.868 354 V CB 0.113 31.981 31.823 0.075 0.000 0.982 354 V HN 1.286 nan 8.190 nan 0.000 0.443 355 G N 5.108 113.956 108.800 0.078 0.000 2.795 355 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.664 355 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.664 355 G C 0.310 175.313 174.900 0.171 0.000 1.381 355 G CA 0.169 45.337 45.100 0.113 0.000 0.853 355 G HN 0.673 nan 8.290 nan 0.000 0.545 356 R N -0.740 119.835 120.500 0.125 0.000 2.066 356 R HA 0.126 4.464 4.340 -0.004 0.000 0.232 356 R C 1.892 178.139 176.300 -0.089 0.000 1.131 356 R CA 2.159 58.264 56.100 0.009 0.000 0.955 356 R CB -0.076 30.188 30.300 -0.061 0.000 0.851 356 R HN 0.472 nan 8.270 nan 0.000 0.432 357 F N -1.055 119.046 119.950 0.252 0.000 2.856 357 F HA 0.256 4.781 4.527 -0.003 0.000 0.338 357 F C 0.210 176.037 175.800 0.045 0.000 1.005 357 F CA -0.485 57.591 58.000 0.126 0.000 1.155 357 F CB 0.765 39.831 39.000 0.110 0.000 1.010 357 F HN -0.132 nan 8.300 nan 0.000 0.587 358 R N -1.241 119.399 120.500 0.233 0.000 2.709 358 R HA 0.442 4.780 4.340 -0.004 0.000 0.270 358 R C -3.346 173.012 176.300 0.097 0.000 1.038 358 R CA -1.873 54.291 56.100 0.108 0.000 0.872 358 R CB 0.197 30.501 30.300 0.007 0.000 1.259 358 R HN -0.361 nan 8.270 nan 0.000 0.473 359 P HA -0.039 nan 4.420 nan 0.000 0.264 359 P C -0.319 176.998 177.300 0.028 0.000 1.183 359 P CA 0.169 63.288 63.100 0.031 0.000 0.763 359 P CB 0.682 32.376 31.700 -0.010 0.000 0.807 360 S N 1.907 117.636 115.700 0.048 0.000 2.593 360 S HA 0.168 4.636 4.470 -0.004 0.000 0.269 360 S C 0.185 174.798 174.600 0.022 0.000 1.334 360 S CA -0.695 57.548 58.200 0.071 0.000 1.015 360 S CB 0.432 63.698 63.200 0.111 0.000 0.912 360 S HN 0.517 nan 8.310 nan 0.000 0.541 361 E N 1.371 121.599 120.200 0.047 0.000 2.313 361 E HA 0.418 4.765 4.350 -0.004 0.000 0.272 361 E C -2.792 173.777 176.600 -0.051 0.000 1.038 361 E CA -2.242 54.138 56.400 -0.033 0.000 0.863 361 E CB 0.460 30.140 29.700 -0.034 0.000 1.060 361 E HN 0.472 nan 8.360 nan 0.000 0.402 362 P HA 0.271 nan 4.420 nan 0.000 0.284 362 P C -0.790 176.399 177.300 -0.184 0.000 1.258 362 P CA -0.398 62.568 63.100 -0.223 0.000 0.824 362 P CB 0.918 32.163 31.700 -0.757 0.000 1.038 363 H N 1.695 120.802 119.070 0.062 0.000 2.708 363 H HA 0.307 4.861 4.556 -0.004 0.000 0.320 363 H C -0.392 175.086 175.328 0.250 0.000 0.991 363 H CA -0.295 55.882 56.048 0.215 0.000 1.243 363 H CB 0.453 30.353 29.762 0.231 0.000 1.446 363 H HN 0.297 nan 8.280 nan 0.000 0.502 364 F N 1.717 121.864 119.950 0.328 0.000 2.375 364 F HA 0.103 4.628 4.527 -0.004 0.000 0.333 364 F C 1.498 177.497 175.800 0.332 0.000 1.104 364 F CA -0.544 57.659 58.000 0.338 0.000 1.149 364 F CB 1.037 40.172 39.000 0.225 0.000 1.190 364 F HN 0.353 nan 8.300 nan 0.000 0.533 365 T N 0.571 115.434 114.554 0.514 0.000 2.868 365 T HA 0.144 4.492 4.350 -0.004 0.000 0.292 365 T C 1.168 176.063 174.700 0.326 0.000 1.028 365 T CA -0.810 61.525 62.100 0.391 0.000 1.059 365 T CB 0.863 69.947 68.868 0.359 0.000 0.991 365 T HN 0.575 nan 8.240 nan 0.000 0.531 366 L N 1.618 122.985 121.223 0.239 0.000 2.030 366 L HA -0.205 4.133 4.340 -0.004 0.000 0.222 366 L C 2.134 179.114 176.870 0.182 0.000 1.082 366 L CA 2.664 57.617 54.840 0.189 0.000 0.785 366 L CB -1.189 40.955 42.059 0.142 0.000 0.895 366 L HN 0.984 nan 8.230 nan 0.000 0.439 367 D N -1.150 119.358 120.400 0.179 0.000 2.378 367 D HA 0.031 4.669 4.640 -0.004 0.000 0.227 367 D C 1.598 178.012 176.300 0.188 0.000 1.012 367 D CA 0.801 54.898 54.000 0.161 0.000 0.905 367 D CB -0.829 40.056 40.800 0.141 0.000 0.895 367 D HN 0.557 nan 8.370 nan 0.000 0.532 368 G N 0.613 109.566 108.800 0.254 0.000 2.187 368 G HA2 -0.371 3.586 3.960 -0.004 0.000 0.261 368 G HA3 -0.371 3.586 3.960 -0.004 0.000 0.261 368 G C 0.900 176.015 174.900 0.358 0.000 1.000 368 G CA 0.499 45.780 45.100 0.302 0.000 0.718 368 G HN 0.416 nan 8.290 nan 0.000 0.519 369 N N -0.044 118.834 118.700 0.296 0.000 2.299 369 N HA 0.186 4.923 4.740 -0.004 0.000 0.187 369 N C 0.892 176.522 175.510 0.201 0.000 1.099 369 N CA 1.069 54.258 53.050 0.232 0.000 0.867 369 N CB 0.525 39.102 38.487 0.150 0.000 0.974 369 N HN 0.886 nan 8.380 nan 0.000 0.477 370 S N -0.402 115.445 115.700 0.244 0.000 2.596 370 S HA 0.761 5.229 4.470 -0.004 0.000 0.270 370 S C -0.998 173.645 174.600 0.072 0.000 1.155 370 S CA -0.968 57.234 58.200 0.003 0.000 0.827 370 S CB 1.726 64.856 63.200 -0.118 0.000 1.130 370 S HN 0.108 nan 8.310 nan 0.000 0.467 371 F N -1.802 117.959 119.950 -0.316 0.000 2.686 371 F HA 0.832 5.357 4.527 -0.004 0.000 0.311 371 F C -2.232 173.383 175.800 -0.308 0.000 1.128 371 F CA -1.534 56.226 58.000 -0.400 0.000 0.946 371 F CB 0.603 38.930 39.000 -1.121 0.000 1.336 371 F HN 0.592 nan 8.300 nan 0.000 0.457 372 Y N 1.161 121.617 120.300 0.260 0.000 2.377 372 Y HA 0.692 5.240 4.550 -0.004 0.000 0.339 372 Y C -0.201 175.874 175.900 0.292 0.000 1.011 372 Y CA -0.929 57.315 58.100 0.240 0.000 1.093 372 Y CB 2.110 40.664 38.460 0.156 0.000 1.201 372 Y HN 0.704 nan 8.280 nan 0.000 0.455 373 K N 2.954 123.586 120.400 0.386 0.000 2.498 373 K HA 0.569 4.887 4.320 -0.004 0.000 0.254 373 K C -1.655 175.090 176.600 0.241 0.000 0.933 373 K CA -0.615 55.849 56.287 0.295 0.000 0.806 373 K CB 1.695 34.329 32.500 0.224 0.000 1.301 373 K HN 0.714 nan 8.250 nan 0.000 0.432 374 I N 6.411 127.098 120.570 0.195 0.000 2.337 374 I HA 0.289 4.457 4.170 -0.004 0.000 0.291 374 I C 0.111 176.323 176.117 0.158 0.000 1.046 374 I CA -0.448 60.947 61.300 0.159 0.000 1.324 374 I CB 0.444 38.517 38.000 0.123 0.000 1.409 374 I HN 0.474 nan 8.210 nan 0.000 0.494 375 I N 1.966 122.659 120.570 0.206 0.000 2.969 375 I HA 0.490 4.658 4.170 -0.004 0.000 0.307 375 I C -0.252 175.986 176.117 0.202 0.000 1.149 375 I CA -0.816 60.599 61.300 0.192 0.000 1.008 375 I CB 2.137 40.270 38.000 0.223 0.000 1.232 375 I HN 0.326 nan 8.210 nan 0.000 0.435 376 S N 2.773 118.531 115.700 0.097 0.000 2.510 376 S HA 0.219 4.687 4.470 -0.004 0.000 0.279 376 S C -0.003 174.630 174.600 0.056 0.000 1.284 376 S CA -0.477 57.725 58.200 0.003 0.000 1.059 376 S CB -0.294 62.854 63.200 -0.086 0.000 0.901 376 S HN 0.811 nan 8.310 nan 0.000 0.491 377 N N 4.101 122.734 118.700 -0.113 0.000 2.366 377 N HA 0.196 4.933 4.740 -0.004 0.000 0.277 377 N C 0.797 176.217 175.510 -0.150 0.000 1.275 377 N CA -0.421 52.446 53.050 -0.305 0.000 0.964 377 N CB 0.005 37.927 38.487 -0.942 0.000 1.167 377 N HN 0.512 nan 8.380 nan 0.000 0.568 378 E N -0.357 119.754 120.200 -0.149 0.000 2.209 378 E HA -0.165 4.183 4.350 -0.004 0.000 0.196 378 E C 0.721 177.271 176.600 -0.084 0.000 0.993 378 E CA 1.069 57.420 56.400 -0.081 0.000 0.819 378 E CB -0.129 29.531 29.700 -0.067 0.000 0.745 378 E HN 0.642 nan 8.360 nan 0.000 0.477 379 E N -0.518 119.626 120.200 -0.093 0.000 2.442 379 E HA 0.032 4.380 4.350 -0.004 0.000 0.195 379 E C 1.118 177.684 176.600 -0.056 0.000 1.030 379 E CA 0.649 57.038 56.400 -0.017 0.000 0.869 379 E CB 0.529 30.271 29.700 0.071 0.000 0.857 379 E HN 0.380 nan 8.360 nan 0.000 0.505 380 G N 0.956 109.671 108.800 -0.141 0.000 2.157 380 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.239 380 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.239 380 G C -0.289 174.338 174.900 -0.456 0.000 0.982 380 G CA -0.097 44.818 45.100 -0.309 0.000 0.650 380 G HN 0.182 nan 8.290 nan 0.000 0.527 381 Y N 0.635 120.799 120.300 -0.227 0.000 2.341 381 Y HA 0.648 5.195 4.550 -0.004 0.000 0.337 381 Y C 1.133 176.868 175.900 -0.274 0.000 1.014 381 Y CA -0.927 57.022 58.100 -0.252 0.000 1.111 381 Y CB 1.028 39.341 38.460 -0.246 0.000 1.194 381 Y HN 0.085 nan 8.280 nan 0.000 0.462 382 R N 3.674 124.052 120.500 -0.203 0.000 2.347 382 R HA 0.271 4.609 4.340 -0.004 0.000 0.304 382 R C -0.686 175.346 176.300 -0.448 0.000 1.072 382 R CA 0.004 55.987 56.100 -0.196 0.000 0.980 382 R CB 0.179 30.409 30.300 -0.116 0.000 0.986 382 R HN 0.666 nan 8.270 nan 0.000 0.448 383 H N 1.456 120.495 119.070 -0.051 0.000 2.960 383 H HA 0.336 4.890 4.556 -0.004 0.000 0.338 383 H C -0.279 175.115 175.328 0.110 0.000 1.261 383 H CA -0.920 55.080 56.048 -0.080 0.000 1.136 383 H CB 1.552 31.163 29.762 -0.253 0.000 1.875 383 H HN 0.327 nan 8.280 nan 0.000 0.550 384 I N 1.408 122.082 120.570 0.174 0.000 2.396 384 I HA 0.054 4.222 4.170 -0.004 0.000 0.289 384 I C 0.316 176.505 176.117 0.121 0.000 1.056 384 I CA 0.073 61.444 61.300 0.119 0.000 1.365 384 I CB 0.298 38.281 38.000 -0.028 0.000 1.407 384 I HN 0.114 nan 8.210 nan 0.000 0.509 385 c N 7.403 126.014 118.600 0.019 0.000 2.329 385 c HA 0.381 4.949 4.570 -0.004 0.000 0.329 385 c C -0.270 173.709 174.090 -0.186 0.000 1.275 385 c CA -0.476 55.641 56.329 -0.354 0.000 1.726 385 c CB 0.648 42.708 42.510 -0.750 0.000 2.291 385 c HN 0.622 nan 8.230 nan 0.000 0.514 386 Y N 5.042 125.042 120.300 -0.501 0.000 2.341 386 Y HA 0.602 5.150 4.550 -0.004 0.000 0.340 386 Y C -0.930 174.538 175.900 -0.721 0.000 0.997 386 Y CA -0.846 56.886 58.100 -0.614 0.000 1.149 386 Y CB 0.120 38.306 38.460 -0.457 0.000 1.171 386 Y HN 0.631 nan 8.280 nan 0.000 0.494 387 F N 4.059 123.276 119.950 -1.221 0.000 2.480 387 F HA 0.402 4.927 4.527 -0.004 0.000 0.329 387 F C -0.045 174.989 175.800 -1.276 0.000 1.091 387 F CA -0.875 56.327 58.000 -1.330 0.000 0.972 387 F CB 1.587 39.349 39.000 -2.063 0.000 1.150 387 F HN 0.316 nan 8.300 nan 0.000 0.467 388 Q N 2.446 121.886 119.800 -0.599 0.000 2.241 388 Q HA 0.327 4.665 4.340 -0.004 0.000 0.254 388 Q C 0.892 176.839 176.000 -0.089 0.000 0.917 388 Q CA -0.188 55.403 55.803 -0.353 0.000 0.919 388 Q CB 1.390 29.985 28.738 -0.238 0.000 1.237 388 Q HN 0.697 nan 8.270 nan 0.000 0.434 389 I N -0.549 120.064 120.570 0.071 0.000 2.567 389 I HA -0.061 4.106 4.170 -0.004 0.000 0.257 389 I C 0.426 176.761 176.117 0.365 0.000 1.184 389 I CA 1.238 62.743 61.300 0.341 0.000 1.451 389 I CB 0.012 38.244 38.000 0.388 0.000 1.089 389 I HN 0.427 nan 8.210 nan 0.000 0.441 390 D N 1.025 121.531 120.400 0.176 0.000 2.772 390 D HA 0.259 4.897 4.640 -0.004 0.000 0.272 390 D C -0.302 176.018 176.300 0.035 0.000 1.314 390 D CA -0.382 53.669 54.000 0.085 0.000 0.835 390 D CB 0.116 40.948 40.800 0.053 0.000 1.080 390 D HN 0.389 nan 8.370 nan 0.000 0.482 391 K N 0.354 120.800 120.400 0.077 0.000 2.535 391 K HA 0.250 4.568 4.320 -0.004 0.000 0.250 391 K C 0.432 177.080 176.600 0.080 0.000 0.948 391 K CA -0.792 55.505 56.287 0.017 0.000 0.796 391 K CB 2.227 34.700 32.500 -0.044 0.000 1.216 391 K HN -0.313 nan 8.250 nan 0.000 0.432 392 K N 0.512 120.917 120.400 0.008 0.000 2.296 392 K HA 0.033 4.351 4.320 -0.004 0.000 0.200 392 K C -0.094 176.519 176.600 0.022 0.000 1.048 392 K CA 0.935 57.256 56.287 0.056 0.000 0.966 392 K CB 0.107 32.598 32.500 -0.015 0.000 0.754 392 K HN 0.544 nan 8.250 nan 0.000 0.466 393 D N 1.292 121.636 120.400 -0.095 0.000 2.249 393 D HA 0.080 4.718 4.640 -0.004 0.000 0.246 393 D C 0.392 176.440 176.300 -0.419 0.000 1.114 393 D CA -0.264 53.611 54.000 -0.209 0.000 0.854 393 D CB 1.254 41.960 40.800 -0.156 0.000 1.132 393 D HN 0.144 nan 8.370 nan 0.000 0.461 394 c N 0.809 118.988 118.600 -0.702 0.000 2.380 394 c HA 0.820 5.388 4.570 -0.004 0.000 0.393 394 c C 0.287 173.961 174.090 -0.693 0.000 1.284 394 c CA -0.519 55.190 56.329 -1.033 0.000 2.033 394 c CB 1.075 42.373 42.510 -2.021 0.000 2.165 394 c HN 0.472 nan 8.230 nan 0.000 0.540 395 T N 1.383 115.565 114.554 -0.621 0.000 2.840 395 T HA 0.482 4.830 4.350 -0.004 0.000 0.287 395 T C -0.853 173.608 174.700 -0.400 0.000 0.991 395 T CA 0.145 62.028 62.100 -0.363 0.000 0.964 395 T CB 0.426 69.218 68.868 -0.127 0.000 0.954 395 T HN 0.470 nan 8.240 nan 0.000 0.438 396 F N 3.356 123.174 119.950 -0.219 0.000 2.495 396 F HA 0.271 4.796 4.527 -0.004 0.000 0.365 396 F C 1.649 177.257 175.800 -0.320 0.000 1.090 396 F CA -0.893 56.965 58.000 -0.236 0.000 1.235 396 F CB 0.457 39.320 39.000 -0.228 0.000 1.119 396 F HN 0.584 nan 8.300 nan 0.000 0.562 397 I N -0.405 120.037 120.570 -0.213 0.000 3.956 397 I HA 0.244 4.412 4.170 -0.004 0.000 0.333 397 I C 0.069 176.014 176.117 -0.285 0.000 1.302 397 I CA 0.106 61.082 61.300 -0.539 0.000 1.122 397 I CB -0.088 37.377 38.000 -0.892 0.000 1.013 397 I HN 0.492 nan 8.210 nan 0.000 0.405 398 T N -0.077 114.366 114.554 -0.184 0.000 2.900 398 T HA 0.710 5.057 4.350 -0.004 0.000 0.303 398 T C -0.727 173.556 174.700 -0.695 0.000 1.142 398 T CA -0.700 61.272 62.100 -0.215 0.000 1.007 398 T CB 2.696 71.545 68.868 -0.031 0.000 1.156 398 T HN 0.507 nan 8.240 nan 0.000 0.490 399 K N -0.192 119.640 120.400 -0.948 0.000 2.615 399 K HA 0.816 5.134 4.320 -0.004 0.000 0.291 399 K C -0.387 175.572 176.600 -1.068 0.000 1.017 399 K CA -0.714 54.694 56.287 -1.465 0.000 0.882 399 K CB 1.239 33.283 32.500 -0.761 0.000 1.522 399 K HN 1.677 nan 8.250 nan 0.000 0.412 400 G N -0.212 108.020 108.800 -0.946 0.000 2.353 400 G HA2 0.100 4.057 3.960 -0.004 0.000 0.424 400 G HA3 0.100 4.057 3.960 -0.004 0.000 0.424 400 G C -0.805 173.532 174.900 -0.938 0.000 1.320 400 G CA -0.367 44.320 45.100 -0.688 0.000 0.995 400 G HN 1.122 nan 8.290 nan 0.000 0.580 401 T N -0.541 113.602 114.554 -0.686 0.000 3.855 401 T HA 0.576 4.924 4.350 -0.004 0.000 0.306 401 T C 0.162 174.641 174.700 -0.368 0.000 1.575 401 T CA 0.567 62.057 62.100 -1.017 0.000 1.214 401 T CB -0.949 67.624 68.868 -0.493 0.000 1.262 401 T HN 1.599 nan 8.240 nan 0.000 0.883 402 W N -0.254 120.865 121.300 -0.303 0.000 2.926 402 W HA 0.607 5.265 4.660 -0.004 0.000 0.361 402 W C -1.582 174.935 176.519 -0.003 0.000 1.195 402 W CA -0.954 56.380 57.345 -0.019 0.000 1.177 402 W CB 0.547 29.981 29.460 -0.042 0.000 1.453 402 W HN 0.214 nan 8.180 nan 0.000 0.571 403 E N 0.702 121.100 120.200 0.329 0.000 2.369 403 E HA 0.483 4.830 4.350 -0.004 0.000 0.270 403 E C -1.206 175.514 176.600 0.201 0.000 0.909 403 E CA -1.206 55.195 56.400 0.001 0.000 0.775 403 E CB 3.331 33.051 29.700 0.033 0.000 1.270 403 E HN 0.160 nan 8.360 nan 0.000 0.445 404 V N 3.485 123.379 119.914 -0.034 0.000 2.461 404 V HA 0.025 4.143 4.120 -0.004 0.000 0.275 404 V C 1.254 177.428 176.094 0.134 0.000 1.047 404 V CA -0.093 62.279 62.300 0.119 0.000 0.955 404 V CB 0.653 32.439 31.823 -0.061 0.000 0.988 404 V HN 0.682 nan 8.190 nan 0.000 0.471 405 I N 3.224 123.901 120.570 0.178 0.000 2.277 405 I HA 0.207 4.375 4.170 -0.004 0.000 0.243 405 I C 1.125 177.350 176.117 0.180 0.000 1.094 405 I CA 1.347 62.740 61.300 0.156 0.000 1.393 405 I CB -0.790 37.248 38.000 0.063 0.000 1.078 405 I HN 0.748 nan 8.210 nan 0.000 0.417 406 G N 0.518 109.430 108.800 0.186 0.000 2.632 406 G HA2 0.530 4.488 3.960 -0.004 0.000 0.292 406 G HA3 0.530 4.488 3.960 -0.004 0.000 0.292 406 G C -1.268 173.733 174.900 0.168 0.000 1.465 406 G CA -0.597 44.613 45.100 0.183 0.000 0.824 406 G HN -0.028 nan 8.290 nan 0.000 0.509 407 I N 1.468 122.084 120.570 0.077 0.000 2.342 407 I HA 0.251 4.419 4.170 -0.004 0.000 0.291 407 I C 0.674 176.754 176.117 -0.062 0.000 1.010 407 I CA -0.582 60.660 61.300 -0.097 0.000 1.308 407 I CB 1.771 39.442 38.000 -0.547 0.000 1.400 407 I HN 0.504 nan 8.210 nan 0.000 0.488 408 E N 4.818 125.038 120.200 0.034 0.000 2.251 408 E HA 0.315 4.662 4.350 -0.004 0.000 0.194 408 E C 0.157 176.714 176.600 -0.071 0.000 0.964 408 E CA 0.249 56.705 56.400 0.093 0.000 0.868 408 E CB 0.774 30.618 29.700 0.241 0.000 0.828 408 E HN 0.687 nan 8.360 nan 0.000 0.481 409 A N 0.562 123.252 122.820 -0.216 0.000 2.605 409 A HA 0.584 4.902 4.320 -0.004 0.000 0.294 409 A C -2.009 175.492 177.584 -0.139 0.000 1.062 409 A CA -0.655 51.163 52.037 -0.364 0.000 0.682 409 A CB 1.204 19.457 19.000 -1.245 0.000 1.278 409 A HN 0.040 nan 8.150 nan 0.000 0.410 410 L N 1.583 122.763 121.223 -0.072 0.000 2.439 410 L HA 0.814 5.152 4.340 -0.004 0.000 0.270 410 L C 0.165 177.056 176.870 0.034 0.000 0.972 410 L CA 0.510 55.344 54.840 -0.009 0.000 0.836 410 L CB 2.043 44.120 42.059 0.030 0.000 1.255 410 L HN 1.224 nan 8.230 nan 0.000 0.404 411 T N -0.266 114.324 114.554 0.061 0.000 2.905 411 T HA 0.434 4.782 4.350 -0.004 0.000 0.283 411 T C 0.992 175.724 174.700 0.054 0.000 1.031 411 T CA 0.072 62.219 62.100 0.078 0.000 1.002 411 T CB 1.205 70.155 68.868 0.137 0.000 1.200 411 T HN 0.633 nan 8.240 nan 0.000 0.560 412 S N -0.659 115.073 115.700 0.052 0.000 2.515 412 S HA -0.024 4.444 4.470 -0.004 0.000 0.231 412 S C 0.797 175.370 174.600 -0.045 0.000 0.987 412 S CA 0.700 58.916 58.200 0.028 0.000 0.936 412 S CB -0.391 62.831 63.200 0.037 0.000 0.766 412 S HN 0.715 nan 8.310 nan 0.000 0.528 413 D N -0.737 119.617 120.400 -0.077 0.000 2.514 413 D HA 0.233 4.871 4.640 -0.004 0.000 0.249 413 D C -0.491 175.450 176.300 -0.599 0.000 1.036 413 D CA 0.604 54.419 54.000 -0.309 0.000 0.911 413 D CB 0.371 41.018 40.800 -0.254 0.000 1.145 413 D HN 0.398 nan 8.370 nan 0.000 0.495 414 Y N 0.116 120.336 120.300 -0.132 0.000 2.536 414 Y HA 0.514 5.062 4.550 -0.004 0.000 0.347 414 Y C -0.472 175.231 175.900 -0.328 0.000 1.000 414 Y CA -0.953 56.976 58.100 -0.284 0.000 1.051 414 Y CB 2.499 40.661 38.460 -0.496 0.000 1.259 414 Y HN -0.260 nan 8.280 nan 0.000 0.468 415 L N 2.652 123.741 121.223 -0.223 0.000 2.356 415 L HA 0.605 4.943 4.340 -0.004 0.000 0.277 415 L C -1.877 174.880 176.870 -0.188 0.000 0.996 415 L CA -0.634 54.073 54.840 -0.222 0.000 0.822 415 L CB 0.941 42.779 42.059 -0.367 0.000 1.256 415 L HN 0.608 nan 8.230 nan 0.000 0.413 416 Y N 4.663 124.912 120.300 -0.084 0.000 2.360 416 Y HA 0.583 5.131 4.550 -0.003 0.000 0.337 416 Y C -0.423 175.514 175.900 0.062 0.000 1.039 416 Y CA -0.462 57.605 58.100 -0.055 0.000 1.109 416 Y CB 1.398 39.768 38.460 -0.149 0.000 1.201 416 Y HN 0.531 nan 8.280 nan 0.000 0.458 417 Y N -0.314 120.075 120.300 0.148 0.000 2.638 417 Y HA 0.805 5.353 4.550 -0.004 0.000 0.335 417 Y C -1.872 174.124 175.900 0.160 0.000 1.155 417 Y CA -1.979 56.190 58.100 0.114 0.000 1.046 417 Y CB 1.173 39.672 38.460 0.065 0.000 1.303 417 Y HN 0.441 nan 8.280 nan 0.000 0.460 418 I N 2.993 123.738 120.570 0.292 0.000 2.404 418 I HA 0.632 4.800 4.170 -0.004 0.000 0.293 418 I C -0.434 175.857 176.117 0.291 0.000 0.992 418 I CA -0.461 60.952 61.300 0.188 0.000 1.149 418 I CB 1.979 40.039 38.000 0.101 0.000 1.315 418 I HN 0.880 nan 8.210 nan 0.000 0.446 419 S N 3.234 119.075 115.700 0.236 0.000 2.685 419 S HA 0.445 4.913 4.470 -0.004 0.000 0.282 419 S C -0.452 174.193 174.600 0.074 0.000 1.159 419 S CA -0.852 57.470 58.200 0.202 0.000 0.833 419 S CB 1.729 65.059 63.200 0.217 0.000 1.151 419 S HN 0.639 nan 8.310 nan 0.000 0.485 420 N N -0.551 118.187 118.700 0.063 0.000 2.328 420 N HA 0.126 4.864 4.740 -0.004 0.000 0.247 420 N C 0.570 176.051 175.510 -0.048 0.000 1.165 420 N CA -0.197 52.849 53.050 -0.006 0.000 0.873 420 N CB 0.187 38.658 38.487 -0.026 0.000 1.125 420 N HN 0.842 nan 8.380 nan 0.000 0.513 421 E N -0.072 119.958 120.200 -0.282 0.000 2.106 421 E HA -0.213 4.135 4.350 -0.004 0.000 0.192 421 E C -0.332 176.112 176.600 -0.261 0.000 0.984 421 E CA 0.234 56.223 56.400 -0.685 0.000 0.806 421 E CB -0.122 28.469 29.700 -1.849 0.000 0.750 421 E HN 0.383 nan 8.360 nan 0.000 0.458 422 Y N 2.291 122.490 120.300 -0.168 0.000 2.802 422 Y HA -0.140 4.408 4.550 -0.004 0.000 0.333 422 Y C 0.319 176.178 175.900 -0.069 0.000 1.244 422 Y CA 0.882 58.935 58.100 -0.077 0.000 1.558 422 Y CB -0.009 38.432 38.460 -0.031 0.000 1.233 422 Y HN 0.093 nan 8.280 nan 0.000 0.547 423 K N 3.488 123.612 120.400 -0.460 0.000 3.130 423 K HA -0.253 4.064 4.320 -0.004 0.000 0.282 423 K C 0.887 177.410 176.600 -0.127 0.000 1.145 423 K CA 0.768 56.837 56.287 -0.363 0.000 0.831 423 K CB -1.867 30.344 32.500 -0.481 0.000 1.226 423 K HN 1.268 nan 8.250 nan 0.000 0.478 424 G N 0.639 109.384 108.800 -0.091 0.000 2.258 424 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.274 424 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.274 424 G C 0.056 174.931 174.900 -0.043 0.000 1.021 424 G CA 0.845 45.938 45.100 -0.012 0.000 0.798 424 G HN 0.364 nan 8.290 nan 0.000 0.507 425 M N 1.088 120.595 119.600 -0.156 0.000 2.206 425 M HA 0.214 4.692 4.480 -0.004 0.000 0.353 425 M C -0.838 175.219 176.300 -0.404 0.000 1.242 425 M CA -1.924 53.129 55.300 -0.413 0.000 1.179 425 M CB 1.373 33.815 32.600 -0.263 0.000 1.374 425 M HN -0.049 nan 8.290 nan 0.000 0.427 426 P HA -0.107 nan 4.420 nan 0.000 0.223 426 P C 0.997 178.148 177.300 -0.249 0.000 1.144 426 P CA 1.214 64.139 63.100 -0.291 0.000 0.783 426 P CB 0.131 31.666 31.700 -0.274 0.000 0.771 427 G N -0.749 107.839 108.800 -0.353 0.000 3.042 427 G HA2 0.271 4.229 3.960 -0.004 0.000 0.212 427 G HA3 0.271 4.229 3.960 -0.004 0.000 0.212 427 G C 0.724 175.614 174.900 -0.017 0.000 1.166 427 G CA 0.161 45.183 45.100 -0.130 0.000 0.767 427 G HN 0.438 nan 8.290 nan 0.000 0.546 428 G N -0.267 108.465 108.800 -0.114 0.000 2.461 428 G HA2 0.646 4.604 3.960 -0.004 0.000 0.329 428 G HA3 0.646 4.604 3.960 -0.004 0.000 0.329 428 G C -0.825 173.922 174.900 -0.255 0.000 1.170 428 G CA -0.758 44.292 45.100 -0.082 0.000 0.935 428 G HN 0.082 nan 8.290 nan 0.000 0.492 429 R N 0.873 121.182 120.500 -0.319 0.000 2.564 429 R HA 0.411 4.749 4.340 -0.004 0.000 0.284 429 R C -1.341 174.915 176.300 -0.074 0.000 1.031 429 R CA -0.791 55.115 56.100 -0.324 0.000 0.904 429 R CB 2.147 32.016 30.300 -0.718 0.000 1.199 429 R HN 0.587 nan 8.270 nan 0.000 0.443 430 N N 1.534 120.223 118.700 -0.018 0.000 2.284 430 N HA 0.347 5.085 4.740 -0.004 0.000 0.289 430 N C -1.318 174.083 175.510 -0.182 0.000 1.179 430 N CA -0.812 52.162 53.050 -0.127 0.000 0.774 430 N CB 2.691 40.997 38.487 -0.302 0.000 1.548 430 N HN 0.262 nan 8.380 nan 0.000 0.473 431 L N 2.119 123.088 121.223 -0.423 0.000 2.292 431 L HA 0.475 4.813 4.340 -0.004 0.000 0.284 431 L C -1.378 175.140 176.870 -0.587 0.000 1.065 431 L CA 0.037 54.658 54.840 -0.365 0.000 0.806 431 L CB -0.070 41.768 42.059 -0.368 0.000 1.175 431 L HN 0.413 nan 8.230 nan 0.000 0.431 432 Y N 3.493 123.464 120.300 -0.550 0.000 2.570 432 Y HA 0.610 5.158 4.550 -0.004 0.000 0.345 432 Y C -0.363 175.239 175.900 -0.497 0.000 1.014 432 Y CA -0.851 56.877 58.100 -0.620 0.000 1.063 432 Y CB 1.746 39.614 38.460 -0.986 0.000 1.272 432 Y HN 0.500 nan 8.280 nan 0.000 0.477 433 K N 2.318 122.606 120.400 -0.187 0.000 2.397 433 K HA 0.704 5.021 4.320 -0.004 0.000 0.253 433 K C -1.955 174.616 176.600 -0.049 0.000 0.932 433 K CA -0.620 55.498 56.287 -0.281 0.000 0.795 433 K CB 1.814 34.056 32.500 -0.429 0.000 1.159 433 K HN 0.760 nan 8.250 nan 0.000 0.424 434 I N 2.768 123.355 120.570 0.029 0.000 2.545 434 I HA 0.248 4.416 4.170 -0.004 0.000 0.292 434 I C -0.952 175.244 176.117 0.132 0.000 1.040 434 I CA -0.656 60.733 61.300 0.149 0.000 1.068 434 I CB 1.931 40.061 38.000 0.215 0.000 1.251 434 I HN 0.729 nan 8.210 nan 0.000 0.424 435 Q N 6.029 125.890 119.800 0.103 0.000 2.293 435 Q HA 0.238 4.576 4.340 -0.004 0.000 0.263 435 Q C 0.277 176.165 176.000 -0.185 0.000 1.002 435 Q CA -0.226 55.479 55.803 -0.164 0.000 0.910 435 Q CB 1.223 29.898 28.738 -0.105 0.000 1.185 435 Q HN 0.833 nan 8.270 nan 0.000 0.401 436 L N 2.361 123.398 121.223 -0.311 0.000 2.201 436 L HA -0.151 4.187 4.340 -0.004 0.000 0.212 436 L C 2.056 178.704 176.870 -0.370 0.000 1.105 436 L CA 1.299 56.000 54.840 -0.233 0.000 0.775 436 L CB -0.335 41.598 42.059 -0.210 0.000 0.913 436 L HN 0.676 nan 8.230 nan 0.000 0.440 437 S N -2.575 112.920 115.700 -0.342 0.000 2.593 437 S HA -0.008 4.460 4.470 -0.004 0.000 0.217 437 S C 0.356 174.761 174.600 -0.324 0.000 0.966 437 S CA -0.067 57.947 58.200 -0.310 0.000 0.914 437 S CB 0.077 63.145 63.200 -0.219 0.000 0.776 437 S HN 0.359 nan 8.310 nan 0.000 0.523 438 D N -0.172 120.026 120.400 -0.336 0.000 2.474 438 D HA 0.197 4.835 4.640 -0.004 0.000 0.234 438 D C -0.359 175.875 176.300 -0.110 0.000 1.323 438 D CA -0.535 53.322 54.000 -0.237 0.000 0.915 438 D CB -0.210 40.518 40.800 -0.120 0.000 1.487 438 D HN -0.050 nan 8.370 nan 0.000 0.524 439 Y N 0.735 121.015 120.300 -0.034 0.000 2.446 439 Y HA -0.136 4.412 4.550 -0.004 0.000 0.287 439 Y C 2.570 178.476 175.900 0.012 0.000 1.159 439 Y CA 1.677 59.769 58.100 -0.013 0.000 1.297 439 Y CB -0.851 37.602 38.460 -0.012 0.000 0.974 439 Y HN 0.446 nan 8.280 nan 0.000 0.557 440 T N -2.907 111.728 114.554 0.136 0.000 3.148 440 T HA 0.021 4.369 4.350 -0.004 0.000 0.253 440 T C 0.561 175.312 174.700 0.084 0.000 1.134 440 T CA 0.041 62.199 62.100 0.096 0.000 1.051 440 T CB -0.101 68.802 68.868 0.057 0.000 0.959 440 T HN -0.150 nan 8.240 nan 0.000 0.525 441 K N 2.310 122.762 120.400 0.087 0.000 2.296 441 K HA 0.527 4.845 4.320 -0.004 0.000 0.257 441 K C -1.230 175.438 176.600 0.114 0.000 1.088 441 K CA -0.405 55.931 56.287 0.082 0.000 0.980 441 K CB 1.350 33.887 32.500 0.062 0.000 1.430 441 K HN 0.155 nan 8.250 nan 0.000 0.441 442 V N 2.472 122.453 119.914 0.112 0.000 2.444 442 V HA 0.338 4.456 4.120 -0.004 0.000 0.294 442 V C -0.198 175.955 176.094 0.097 0.000 1.022 442 V CA -0.680 61.700 62.300 0.132 0.000 0.850 442 V CB 2.017 33.944 31.823 0.174 0.000 0.992 442 V HN 0.553 nan 8.190 nan 0.000 0.426 443 T N 3.343 117.926 114.554 0.048 0.000 2.797 443 T HA 0.272 4.620 4.350 -0.004 0.000 0.279 443 T C -0.361 174.267 174.700 -0.121 0.000 0.991 443 T CA -0.297 61.783 62.100 -0.033 0.000 0.979 443 T CB 1.351 70.169 68.868 -0.084 0.000 0.943 443 T HN 0.750 nan 8.240 nan 0.000 0.444 444 C N 5.267 124.422 119.300 -0.242 0.000 2.303 444 C HA 0.430 4.888 4.460 -0.004 0.000 0.341 444 C C 1.593 176.262 174.990 -0.535 0.000 1.244 444 C CA -0.646 57.968 59.018 -0.674 0.000 1.765 444 C CB -1.870 25.371 27.740 -0.832 0.000 2.379 444 C HN 0.994 nan 8.230 nan 0.000 0.530 445 L N 4.796 125.684 121.223 -0.558 0.000 2.558 445 L HA 0.090 4.428 4.340 -0.004 0.000 0.225 445 L C 2.018 178.572 176.870 -0.527 0.000 1.128 445 L CA 0.866 55.452 54.840 -0.423 0.000 0.868 445 L CB -0.261 41.600 42.059 -0.330 0.000 1.006 445 L HN 0.906 nan 8.230 nan 0.000 0.454 446 S N -3.613 111.662 115.700 -0.708 0.000 2.628 446 S HA -0.002 4.466 4.470 -0.004 0.000 0.246 446 S C 1.788 175.986 174.600 -0.670 0.000 1.062 446 S CA -0.100 57.576 58.200 -0.874 0.000 1.028 446 S CB -0.271 62.014 63.200 -1.525 0.000 0.985 446 S HN 0.280 nan 8.310 nan 0.000 0.551 447 C N 2.349 121.225 119.300 -0.708 0.000 2.349 447 C HA -0.059 4.399 4.460 -0.004 0.000 0.274 447 C C 2.503 177.197 174.990 -0.494 0.000 1.178 447 C CA 1.667 60.182 59.018 -0.838 0.000 1.769 447 C CB -1.138 25.902 27.740 -1.167 0.000 2.047 447 C HN 0.609 nan 8.230 nan 0.000 0.448 448 E N 0.142 120.141 120.200 -0.335 0.000 2.479 448 E HA 0.152 4.500 4.350 -0.004 0.000 0.193 448 E C 1.902 178.447 176.600 -0.091 0.000 1.049 448 E CA -0.030 56.280 56.400 -0.150 0.000 0.870 448 E CB -0.333 29.300 29.700 -0.111 0.000 0.944 448 E HN 0.570 nan 8.360 nan 0.000 0.492 449 L N 0.225 121.383 121.223 -0.107 0.000 2.043 449 L HA -0.136 4.202 4.340 -0.004 0.000 0.212 449 L C 0.940 177.816 176.870 0.010 0.000 1.075 449 L CA 1.030 55.847 54.840 -0.039 0.000 0.752 449 L CB -0.031 42.012 42.059 -0.026 0.000 0.891 449 L HN 0.141 nan 8.230 nan 0.000 0.432 450 N N -1.638 117.082 118.700 0.033 0.000 3.029 450 N HA 0.058 4.796 4.740 -0.004 0.000 0.198 450 N C -2.048 173.481 175.510 0.031 0.000 1.444 450 N CA -0.749 52.315 53.050 0.023 0.000 0.784 450 N CB 0.626 39.120 38.487 0.012 0.000 1.539 450 N HN -0.175 nan 8.380 nan 0.000 0.582 451 P HA -0.167 nan 4.420 nan 0.000 0.218 451 P C 0.539 177.882 177.300 0.071 0.000 1.146 451 P CA 1.404 64.554 63.100 0.083 0.000 0.820 451 P CB 0.595 32.363 31.700 0.112 0.000 0.778 452 E N -0.611 119.610 120.200 0.034 0.000 2.190 452 E HA -0.041 4.307 4.350 -0.004 0.000 0.191 452 E C 2.360 178.954 176.600 -0.011 0.000 0.978 452 E CA 0.284 56.695 56.400 0.018 0.000 0.839 452 E CB -0.121 29.583 29.700 0.007 0.000 0.787 452 E HN 0.237 nan 8.360 nan 0.000 0.473 453 R N 0.080 120.560 120.500 -0.033 0.000 2.237 453 R HA 0.118 4.456 4.340 -0.004 0.000 0.195 453 R C -0.218 176.013 176.300 -0.116 0.000 0.956 453 R CA 0.378 56.431 56.100 -0.079 0.000 1.029 453 R CB 0.562 30.808 30.300 -0.091 0.000 0.972 453 R HN 0.038 nan 8.270 nan 0.000 0.493 454 c N 1.000 119.537 118.600 -0.105 0.000 2.356 454 c HA 0.415 4.983 4.570 -0.004 0.000 0.324 454 c C 0.121 174.116 174.090 -0.157 0.000 1.167 454 c CA -0.684 55.500 56.329 -0.243 0.000 1.420 454 c CB 1.373 43.680 42.510 -0.339 0.000 2.036 454 c HN 0.518 nan 8.230 nan 0.000 0.435 455 Q N 0.315 120.032 119.800 -0.138 0.000 2.140 455 Q HA 0.183 4.521 4.340 -0.004 0.000 0.227 455 Q C -0.807 175.205 176.000 0.020 0.000 0.798 455 Q CA 0.183 55.996 55.803 0.017 0.000 0.987 455 Q CB 1.299 30.087 28.738 0.083 0.000 1.161 455 Q HN 0.783 nan 8.270 nan 0.000 0.480 456 Y N 0.572 120.722 120.300 -0.251 0.000 2.426 456 Y HA 0.361 4.909 4.550 -0.004 0.000 0.325 456 Y C -1.442 174.296 175.900 -0.270 0.000 0.989 456 Y CA -1.088 56.910 58.100 -0.169 0.000 1.284 456 Y CB 0.621 39.008 38.460 -0.123 0.000 1.104 456 Y HN -0.086 nan 8.280 nan 0.000 0.481 457 Y N 1.847 122.100 120.300 -0.079 0.000 2.457 457 Y HA 0.660 5.207 4.550 -0.004 0.000 0.333 457 Y C 0.270 176.148 175.900 -0.038 0.000 1.119 457 Y CA -0.495 57.569 58.100 -0.059 0.000 1.143 457 Y CB 2.300 40.683 38.460 -0.128 0.000 1.230 457 Y HN 0.408 nan 8.280 nan 0.000 0.469 458 S N 0.787 116.612 115.700 0.209 0.000 2.569 458 S HA 0.813 5.281 4.470 -0.004 0.000 0.280 458 S C -1.779 172.903 174.600 0.136 0.000 1.111 458 S CA -0.597 57.696 58.200 0.156 0.000 0.887 458 S CB 1.529 64.829 63.200 0.167 0.000 1.095 458 S HN 0.502 nan 8.310 nan 0.000 0.476 459 V N 1.797 121.781 119.914 0.118 0.000 3.130 459 V HA 0.918 5.036 4.120 -0.004 0.000 0.310 459 V C -1.141 175.031 176.094 0.129 0.000 1.158 459 V CA -0.295 62.043 62.300 0.064 0.000 1.029 459 V CB 2.430 34.208 31.823 -0.075 0.000 1.057 459 V HN 0.830 nan 8.190 nan 0.000 0.436 460 S N 3.421 119.182 115.700 0.102 0.000 2.737 460 S HA 0.614 5.082 4.470 -0.004 0.000 0.269 460 S C -1.275 173.473 174.600 0.248 0.000 1.150 460 S CA -0.403 57.961 58.200 0.273 0.000 1.077 460 S CB 0.302 63.716 63.200 0.356 0.000 1.075 460 S HN 0.483 nan 8.310 nan 0.000 0.476 461 F N 2.949 122.942 119.950 0.073 0.000 2.371 461 F HA 0.472 4.997 4.527 -0.004 0.000 0.329 461 F C 1.498 176.850 175.800 -0.746 0.000 1.107 461 F CA -0.226 57.645 58.000 -0.215 0.000 1.137 461 F CB 1.209 40.066 39.000 -0.238 0.000 1.214 461 F HN 0.603 nan 8.300 nan 0.000 0.536 462 S N 1.487 116.572 115.700 -1.025 0.000 2.626 462 S HA 0.163 4.630 4.470 -0.004 0.000 0.257 462 S C 1.207 175.547 174.600 -0.433 0.000 1.288 462 S CA -0.790 56.549 58.200 -1.436 0.000 0.980 462 S CB 0.659 63.173 63.200 -1.143 0.000 0.975 462 S HN 0.520 nan 8.310 nan 0.000 0.577 463 K N 0.719 121.007 120.400 -0.187 0.000 2.074 463 K HA -0.075 4.243 4.320 -0.004 0.000 0.209 463 K C 0.988 177.560 176.600 -0.047 0.000 1.048 463 K CA 1.477 57.740 56.287 -0.040 0.000 0.926 463 K CB -0.390 32.121 32.500 0.018 0.000 0.713 463 K HN 0.637 nan 8.250 nan 0.000 0.444 464 E N -0.926 119.228 120.200 -0.077 0.000 2.558 464 E HA 0.217 4.565 4.350 -0.004 0.000 0.205 464 E C -0.069 176.486 176.600 -0.076 0.000 1.006 464 E CA 0.051 56.420 56.400 -0.051 0.000 0.961 464 E CB 0.566 30.249 29.700 -0.029 0.000 1.044 464 E HN 0.212 nan 8.360 nan 0.000 0.465 465 A N 1.265 124.022 122.820 -0.105 0.000 2.872 465 A HA -0.301 4.017 4.320 -0.004 0.000 0.273 465 A C 1.450 179.013 177.584 -0.036 0.000 1.442 465 A CA 1.542 53.546 52.037 -0.056 0.000 0.801 465 A CB -2.098 16.741 19.000 -0.268 0.000 1.031 465 A HN 0.250 nan 8.150 nan 0.000 0.582 466 K N -1.837 118.471 120.400 -0.154 0.000 2.228 466 K HA 0.134 4.452 4.320 -0.004 0.000 0.202 466 K C -0.046 176.201 176.600 -0.588 0.000 1.051 466 K CA 1.243 57.327 56.287 -0.339 0.000 0.960 466 K CB 0.050 32.322 32.500 -0.380 0.000 0.743 466 K HN 0.665 nan 8.250 nan 0.000 0.458 467 Y N -0.771 119.482 120.300 -0.080 0.000 2.576 467 Y HA 0.310 4.858 4.550 -0.003 0.000 0.346 467 Y C -0.951 174.886 175.900 -0.104 0.000 1.018 467 Y CA -1.359 56.692 58.100 -0.081 0.000 1.050 467 Y CB 1.666 40.106 38.460 -0.032 0.000 1.280 467 Y HN -0.042 nan 8.280 nan 0.000 0.474 468 Y N -0.891 119.393 120.300 -0.027 0.000 2.513 468 Y HA 0.539 5.087 4.550 -0.003 0.000 0.340 468 Y C -1.183 174.729 175.900 0.020 0.000 1.055 468 Y CA -1.465 56.468 58.100 -0.278 0.000 1.020 468 Y CB 1.502 39.288 38.460 -1.123 0.000 1.301 468 Y HN 0.602 nan 8.280 nan 0.000 0.453 469 Q N 4.109 124.043 119.800 0.224 0.000 2.290 469 Q HA 0.543 4.881 4.340 -0.004 0.000 0.259 469 Q C -1.739 174.355 176.000 0.156 0.000 0.941 469 Q CA -0.663 55.237 55.803 0.162 0.000 0.912 469 Q CB 1.234 30.042 28.738 0.117 0.000 1.244 469 Q HN 0.971 nan 8.270 nan 0.000 0.441 470 L N 4.530 125.862 121.223 0.181 0.000 2.307 470 L HA 0.509 4.847 4.340 -0.004 0.000 0.282 470 L C -0.183 176.776 176.870 0.149 0.000 1.051 470 L CA -0.523 54.410 54.840 0.156 0.000 0.804 470 L CB 1.208 43.330 42.059 0.106 0.000 1.197 470 L HN 0.610 nan 8.230 nan 0.000 0.431 471 R N 2.659 123.241 120.500 0.137 0.000 2.358 471 R HA 0.286 4.624 4.340 -0.004 0.000 0.309 471 R C -0.929 175.287 176.300 -0.140 0.000 1.026 471 R CA -0.526 55.529 56.100 -0.075 0.000 0.909 471 R CB 1.389 31.717 30.300 0.047 0.000 1.153 471 R HN 0.574 nan 8.270 nan 0.000 0.515 472 c N 2.721 121.122 118.600 -0.332 0.000 2.415 472 c HA 0.341 4.909 4.570 -0.004 0.000 0.369 472 c C 1.531 175.377 174.090 -0.406 0.000 1.279 472 c CA -0.168 55.844 56.329 -0.528 0.000 1.886 472 c CB 0.090 42.265 42.510 -0.558 0.000 2.468 472 c HN 0.966 nan 8.230 nan 0.000 0.553 473 S N 3.633 119.174 115.700 -0.266 0.000 2.701 473 S HA 0.591 5.059 4.470 -0.004 0.000 0.242 473 S C 0.297 174.836 174.600 -0.102 0.000 1.025 473 S CA 0.244 58.349 58.200 -0.158 0.000 1.016 473 S CB 0.069 63.217 63.200 -0.087 0.000 0.977 473 S HN 1.864 nan 8.310 nan 0.000 0.546 474 G N 1.759 110.481 108.800 -0.129 0.000 2.338 474 G HA2 0.441 4.399 3.960 -0.004 0.000 0.295 474 G HA3 0.441 4.399 3.960 -0.004 0.000 0.295 474 G C -3.110 171.748 174.900 -0.070 0.000 1.461 474 G CA -0.643 44.423 45.100 -0.056 0.000 0.817 474 G HN -0.133 nan 8.290 nan 0.000 0.556 475 P HA 0.161 nan 4.420 nan 0.000 0.245 475 P C 1.103 178.400 177.300 -0.006 0.000 1.212 475 P CA 1.031 64.145 63.100 0.024 0.000 0.774 475 P CB 0.652 32.370 31.700 0.030 0.000 0.999 476 G N 0.192 108.908 108.800 -0.141 0.000 2.583 476 G HA2 0.476 4.434 3.960 -0.004 0.000 0.280 476 G HA3 0.476 4.434 3.960 -0.004 0.000 0.280 476 G C -0.509 174.051 174.900 -0.566 0.000 1.376 476 G CA -0.828 44.087 45.100 -0.308 0.000 1.043 476 G HN 0.033 nan 8.290 nan 0.000 0.538 477 L N 1.279 122.111 121.223 -0.652 0.000 2.456 477 L HA 0.169 4.507 4.340 -0.004 0.000 0.272 477 L C -1.870 174.808 176.870 -0.319 0.000 1.189 477 L CA -1.196 53.262 54.840 -0.636 0.000 0.846 477 L CB 0.834 42.635 42.059 -0.430 0.000 1.111 477 L HN 0.224 nan 8.230 nan 0.000 0.475 478 P HA 0.030 nan 4.420 nan 0.000 0.264 478 P C -1.016 176.164 177.300 -0.200 0.000 1.183 478 P CA 0.032 63.013 63.100 -0.198 0.000 0.763 478 P CB 0.596 32.260 31.700 -0.060 0.000 0.807 479 L N 5.234 126.248 121.223 -0.349 0.000 2.409 479 L HA 0.492 4.830 4.340 -0.004 0.000 0.272 479 L C -1.758 174.912 176.870 -0.333 0.000 0.980 479 L CA -0.629 54.085 54.840 -0.210 0.000 0.826 479 L CB 0.971 42.945 42.059 -0.142 0.000 1.268 479 L HN 0.219 nan 8.230 nan 0.000 0.407 480 Y N 2.676 122.938 120.300 -0.062 0.000 2.335 480 Y HA 0.757 5.305 4.550 -0.003 0.000 0.338 480 Y C 0.476 176.271 175.900 -0.175 0.000 0.977 480 Y CA -0.568 57.476 58.100 -0.094 0.000 1.114 480 Y CB 2.057 40.441 38.460 -0.127 0.000 1.182 480 Y HN 0.678 nan 8.280 nan 0.000 0.463 481 T N 0.743 115.295 114.554 -0.003 0.000 2.906 481 T HA 0.713 5.061 4.350 -0.004 0.000 0.295 481 T C -1.499 173.079 174.700 -0.204 0.000 1.075 481 T CA -0.878 61.140 62.100 -0.137 0.000 1.005 481 T CB 1.972 70.805 68.868 -0.058 0.000 1.136 481 T HN 0.398 nan 8.240 nan 0.000 0.498 482 L N 1.776 122.747 121.223 -0.420 0.000 2.334 482 L HA 0.633 4.971 4.340 -0.004 0.000 0.276 482 L C -0.750 175.730 176.870 -0.650 0.000 1.014 482 L CA -0.327 54.309 54.840 -0.339 0.000 0.815 482 L CB 1.170 43.088 42.059 -0.235 0.000 1.268 482 L HN 0.831 nan 8.230 nan 0.000 0.428 483 H N 1.483 120.326 119.070 -0.378 0.000 2.928 483 H HA 0.368 4.922 4.556 -0.003 0.000 0.371 483 H C -1.139 173.964 175.328 -0.376 0.000 1.186 483 H CA -0.837 54.885 56.048 -0.543 0.000 1.134 483 H CB 2.239 31.324 29.762 -1.128 0.000 1.824 483 H HN 0.502 nan 8.280 nan 0.000 0.554 484 S N 0.430 116.074 115.700 -0.093 0.000 2.429 484 S HA 0.153 4.621 4.470 -0.004 0.000 0.302 484 S C 0.788 175.378 174.600 -0.016 0.000 1.115 484 S CA -0.543 57.663 58.200 0.010 0.000 1.095 484 S CB 0.827 64.068 63.200 0.069 0.000 0.987 484 S HN 0.601 nan 8.310 nan 0.000 0.474 485 S N 3.708 119.408 115.700 -0.000 0.000 2.428 485 S HA -0.094 4.374 4.470 -0.004 0.000 0.230 485 S C 1.916 176.556 174.600 0.065 0.000 1.014 485 S CA 0.979 59.282 58.200 0.172 0.000 0.957 485 S CB -0.263 63.027 63.200 0.150 0.000 0.784 485 S HN 0.714 nan 8.310 nan 0.000 0.499 486 V N 3.607 123.507 119.914 -0.023 0.000 2.594 486 V HA -0.157 3.961 4.120 -0.004 0.000 0.253 486 V C 1.111 177.210 176.094 0.008 0.000 1.069 486 V CA 2.173 64.469 62.300 -0.008 0.000 1.082 486 V CB -0.545 31.261 31.823 -0.029 0.000 0.680 486 V HN 0.830 nan 8.190 nan 0.000 0.469 487 N N -3.400 115.307 118.700 0.013 0.000 2.082 487 N HA 0.067 4.805 4.740 -0.004 0.000 0.228 487 N C -0.199 175.322 175.510 0.019 0.000 1.341 487 N CA 0.298 53.355 53.050 0.012 0.000 0.873 487 N CB 0.607 39.102 38.487 0.013 0.000 1.137 487 N HN 0.256 nan 8.380 nan 0.000 0.505 488 D N 0.778 121.209 120.400 0.053 0.000 2.911 488 D HA -0.121 4.517 4.640 -0.004 0.000 0.227 488 D C -0.622 175.710 176.300 0.053 0.000 1.164 488 D CA 1.130 55.183 54.000 0.087 0.000 0.782 488 D CB -0.478 40.356 40.800 0.056 0.000 1.094 488 D HN 0.414 nan 8.370 nan 0.000 0.425 489 K N 0.357 120.776 120.400 0.032 0.000 2.143 489 K HA 0.489 4.807 4.320 -0.004 0.000 0.272 489 K C 0.935 177.542 176.600 0.011 0.000 1.001 489 K CA -0.430 55.871 56.287 0.023 0.000 0.915 489 K CB 1.216 33.720 32.500 0.007 0.000 1.047 489 K HN 0.096 nan 8.250 nan 0.000 0.458 490 G N 2.469 111.269 108.800 -0.000 0.000 2.343 490 G HA2 0.154 4.112 3.960 -0.004 0.000 0.254 490 G HA3 0.154 4.112 3.960 -0.004 0.000 0.254 490 G C 0.955 175.734 174.900 -0.202 0.000 1.277 490 G CA -0.313 44.678 45.100 -0.182 0.000 0.909 490 G HN 0.531 nan 8.290 nan 0.000 0.502 491 L N 1.873 122.919 121.223 -0.294 0.000 2.168 491 L HA 0.290 4.627 4.340 -0.004 0.000 0.203 491 L C 1.618 178.384 176.870 -0.173 0.000 1.078 491 L CA 0.847 55.580 54.840 -0.179 0.000 0.780 491 L CB -0.182 41.782 42.059 -0.158 0.000 0.939 491 L HN 0.820 nan 8.230 nan 0.000 0.451 492 R N -2.381 117.970 120.500 -0.248 0.000 3.012 492 R HA 0.307 4.645 4.340 -0.004 0.000 0.287 492 R C -1.747 174.408 176.300 -0.243 0.000 0.990 492 R CA -0.921 55.061 56.100 -0.196 0.000 0.839 492 R CB 0.996 31.210 30.300 -0.143 0.000 1.317 492 R HN -0.285 nan 8.270 nan 0.000 0.518 493 V N 2.473 122.276 119.914 -0.184 0.000 2.465 493 V HA 0.236 4.354 4.120 -0.004 0.000 0.279 493 V C 1.126 177.078 176.094 -0.238 0.000 1.045 493 V CA -0.426 61.767 62.300 -0.178 0.000 0.938 493 V CB 1.272 33.031 31.823 -0.107 0.000 0.986 493 V HN 0.636 nan 8.190 nan 0.000 0.467 494 L N 2.382 123.404 121.223 -0.336 0.000 2.357 494 L HA 0.359 4.697 4.340 -0.004 0.000 0.211 494 L C 0.554 177.212 176.870 -0.355 0.000 1.075 494 L CA 0.546 55.017 54.840 -0.614 0.000 0.830 494 L CB 0.341 41.643 42.059 -1.260 0.000 0.996 494 L HN 0.690 nan 8.230 nan 0.000 0.467 495 E N -0.146 119.981 120.200 -0.122 0.000 2.406 495 E HA 0.081 4.429 4.350 -0.004 0.000 0.297 495 E C -1.155 175.515 176.600 0.117 0.000 0.917 495 E CA -0.277 56.154 56.400 0.052 0.000 0.795 495 E CB 1.011 30.776 29.700 0.108 0.000 1.285 495 E HN 0.142 nan 8.360 nan 0.000 0.400 496 D N 2.992 123.431 120.400 0.064 0.000 2.433 496 D HA 0.142 4.780 4.640 -0.004 0.000 0.211 496 D C -0.219 176.099 176.300 0.030 0.000 1.114 496 D CA -0.151 53.868 54.000 0.033 0.000 0.837 496 D CB 0.040 40.838 40.800 -0.004 0.000 0.984 496 D HN 0.433 nan 8.370 nan 0.000 0.505 497 N N 0.346 119.084 118.700 0.064 0.000 2.754 497 N HA -0.205 4.533 4.740 -0.004 0.000 0.248 497 N C 0.981 176.507 175.510 0.025 0.000 1.093 497 N CA 0.885 53.969 53.050 0.056 0.000 0.699 497 N CB -1.393 37.121 38.487 0.045 0.000 1.016 497 N HN 0.476 nan 8.380 nan 0.000 0.552 498 S N -1.011 114.704 115.700 0.025 0.000 2.383 498 S HA -0.040 4.428 4.470 -0.004 0.000 0.227 498 S C 2.134 176.752 174.600 0.031 0.000 1.026 498 S CA 1.032 59.242 58.200 0.015 0.000 0.981 498 S CB -0.201 63.008 63.200 0.015 0.000 0.818 498 S HN 0.495 nan 8.310 nan 0.000 0.472 499 A N 2.034 124.883 122.820 0.047 0.000 1.892 499 A HA -0.020 4.298 4.320 -0.004 0.000 0.218 499 A C 2.278 179.908 177.584 0.077 0.000 1.188 499 A CA 1.816 53.889 52.037 0.061 0.000 0.631 499 A CB -0.950 18.091 19.000 0.068 0.000 0.822 499 A HN 0.577 nan 8.150 nan 0.000 0.447 500 L N 0.027 121.299 121.223 0.082 0.000 2.109 500 L HA -0.079 4.259 4.340 -0.004 0.000 0.207 500 L C 1.889 178.795 176.870 0.059 0.000 1.086 500 L CA 2.696 57.599 54.840 0.104 0.000 0.760 500 L CB -0.605 41.525 42.059 0.118 0.000 0.910 500 L HN 0.464 nan 8.230 nan 0.000 0.437 501 D N -0.529 119.881 120.400 0.017 0.000 2.178 501 D HA -0.265 4.373 4.640 -0.004 0.000 0.201 501 D C 2.222 178.526 176.300 0.006 0.000 0.980 501 D CA 1.413 55.404 54.000 -0.016 0.000 0.842 501 D CB -0.045 40.733 40.800 -0.037 0.000 0.948 501 D HN 0.377 nan 8.370 nan 0.000 0.472 502 K N -0.404 120.013 120.400 0.028 0.000 1.991 502 K HA -0.177 4.140 4.320 -0.004 0.000 0.212 502 K C 2.185 178.818 176.600 0.054 0.000 1.049 502 K CA 1.421 57.731 56.287 0.038 0.000 0.932 502 K CB -0.131 32.397 32.500 0.047 0.000 0.717 502 K HN 0.199 nan 8.250 nan 0.000 0.441 503 M N 0.854 120.508 119.600 0.089 0.000 2.086 503 M HA -0.169 4.308 4.480 -0.004 0.000 0.261 503 M C 2.116 178.442 176.300 0.043 0.000 1.067 503 M CA 1.488 56.871 55.300 0.137 0.000 1.116 503 M CB -0.320 32.448 32.600 0.281 0.000 1.348 503 M HN 0.161 nan 8.290 nan 0.000 0.407 504 L N 0.174 121.377 121.223 -0.034 0.000 2.450 504 L HA -0.199 4.139 4.340 -0.004 0.000 0.224 504 L C 2.483 179.311 176.870 -0.069 0.000 1.149 504 L CA 0.505 55.266 54.840 -0.132 0.000 0.816 504 L CB -0.696 41.308 42.059 -0.092 0.000 0.932 504 L HN 0.405 nan 8.230 nan 0.000 0.449 505 Q N -0.419 119.369 119.800 -0.020 0.000 2.230 505 Q HA -0.154 4.183 4.340 -0.004 0.000 0.202 505 Q C 1.454 177.460 176.000 0.010 0.000 0.963 505 Q CA 1.106 56.907 55.803 -0.004 0.000 0.866 505 Q CB -0.324 28.420 28.738 0.010 0.000 0.931 505 Q HN 0.611 nan 8.270 nan 0.000 0.452 506 N N 0.183 118.897 118.700 0.023 0.000 2.276 506 N HA 0.094 4.832 4.740 -0.004 0.000 0.212 506 N C -0.909 174.629 175.510 0.048 0.000 1.127 506 N CA -0.209 52.870 53.050 0.047 0.000 0.834 506 N CB 0.762 39.295 38.487 0.076 0.000 1.014 506 N HN -0.120 nan 8.380 nan 0.000 0.491 507 V N 0.840 120.755 119.914 0.003 0.000 2.789 507 V HA 0.233 4.351 4.120 -0.004 0.000 0.311 507 V C -0.862 175.227 176.094 -0.009 0.000 1.073 507 V CA -0.697 61.605 62.300 0.003 0.000 0.921 507 V CB 2.031 33.800 31.823 -0.089 0.000 1.009 507 V HN 0.102 nan 8.190 nan 0.000 0.426 508 Q N 6.241 126.051 119.800 0.017 0.000 2.815 508 Q HA 0.256 4.594 4.340 -0.004 0.000 0.235 508 Q C -0.321 175.647 176.000 -0.054 0.000 1.354 508 Q CA -0.173 55.612 55.803 -0.029 0.000 0.953 508 Q CB 0.258 28.995 28.738 -0.002 0.000 1.613 508 Q HN 0.581 nan 8.270 nan 0.000 0.572 509 M N 3.141 122.695 119.600 -0.076 0.000 2.243 509 M HA 0.245 4.722 4.480 -0.004 0.000 0.341 509 M C -1.805 174.423 176.300 -0.121 0.000 1.130 509 M CA -2.167 53.077 55.300 -0.093 0.000 1.162 509 M CB -0.299 32.248 32.600 -0.087 0.000 1.497 509 M HN 0.252 nan 8.290 nan 0.000 0.456 510 P HA 0.234 nan 4.420 nan 0.000 0.277 510 P C -0.784 176.428 177.300 -0.147 0.000 1.271 510 P CA -0.357 62.648 63.100 -0.159 0.000 0.795 510 P CB 0.667 32.260 31.700 -0.178 0.000 1.101 511 S N -1.081 114.518 115.700 -0.169 0.000 2.648 511 S HA 0.620 5.087 4.470 -0.004 0.000 0.305 511 S C -0.632 173.870 174.600 -0.163 0.000 1.094 511 S CA -0.786 57.331 58.200 -0.140 0.000 0.983 511 S CB 1.915 65.035 63.200 -0.134 0.000 1.101 511 S HN 0.506 nan 8.310 nan 0.000 0.514 512 K N 0.597 120.929 120.400 -0.114 0.000 2.345 512 K HA 0.438 4.755 4.320 -0.004 0.000 0.255 512 K C -1.330 175.216 176.600 -0.089 0.000 0.934 512 K CA -0.572 55.652 56.287 -0.106 0.000 0.801 512 K CB 1.399 33.862 32.500 -0.061 0.000 1.137 512 K HN 0.707 nan 8.250 nan 0.000 0.424 513 K N 5.084 125.423 120.400 -0.102 0.000 2.323 513 K HA 0.318 4.636 4.320 -0.004 0.000 0.259 513 K C -1.673 174.888 176.600 -0.065 0.000 0.947 513 K CA -0.838 55.400 56.287 -0.082 0.000 0.819 513 K CB 1.088 33.525 32.500 -0.104 0.000 1.109 513 K HN 0.478 nan 8.250 nan 0.000 0.429 514 L N 4.143 125.345 121.223 -0.035 0.000 2.319 514 L HA 0.509 4.847 4.340 -0.004 0.000 0.281 514 L C -1.192 175.677 176.870 -0.002 0.000 1.005 514 L CA 0.160 55.011 54.840 0.017 0.000 0.828 514 L CB 1.301 43.436 42.059 0.127 0.000 1.227 514 L HN 0.780 nan 8.230 nan 0.000 0.415 515 D N 2.886 123.104 120.400 -0.304 0.000 2.921 515 D HA 0.583 5.221 4.640 -0.004 0.000 0.329 515 D C -1.526 174.356 176.300 -0.697 0.000 1.293 515 D CA 0.015 53.720 54.000 -0.492 0.000 0.964 515 D CB 1.489 41.965 40.800 -0.540 0.000 1.435 515 D HN 0.240 nan 8.370 nan 0.000 0.548 516 F N -0.460 119.132 119.950 -0.597 0.000 2.662 516 F HA 0.716 5.241 4.527 -0.004 0.000 0.312 516 F C -1.012 174.857 175.800 0.115 0.000 1.113 516 F CA -1.140 56.641 58.000 -0.365 0.000 0.951 516 F CB 0.978 39.295 39.000 -1.139 0.000 1.344 516 F HN 0.304 nan 8.300 nan 0.000 0.462 517 I N 0.064 120.920 120.570 0.477 0.000 2.785 517 I HA 0.688 4.856 4.170 -0.004 0.000 0.302 517 I C -1.453 174.902 176.117 0.396 0.000 1.069 517 I CA -1.201 60.308 61.300 0.349 0.000 1.045 517 I CB 2.473 40.633 38.000 0.267 0.000 1.236 517 I HN 0.651 nan 8.210 nan 0.000 0.429 518 I N 5.011 125.749 120.570 0.281 0.000 2.359 518 I HA 0.455 4.622 4.170 -0.004 0.000 0.294 518 I C -0.766 175.485 176.117 0.223 0.000 0.987 518 I CA -0.581 60.854 61.300 0.224 0.000 1.225 518 I CB 1.629 39.722 38.000 0.156 0.000 1.366 518 I HN 0.386 nan 8.210 nan 0.000 0.466 519 L N 6.375 127.774 121.223 0.292 0.000 2.439 519 L HA 0.421 4.759 4.340 -0.004 0.000 0.270 519 L C -0.401 176.615 176.870 0.243 0.000 0.972 519 L CA -0.788 54.229 54.840 0.294 0.000 0.836 519 L CB 1.566 43.881 42.059 0.426 0.000 1.255 519 L HN 0.574 nan 8.230 nan 0.000 0.404 520 N N 2.947 121.727 118.700 0.134 0.000 2.725 520 N HA -0.216 4.521 4.740 -0.004 0.000 0.251 520 N C 0.395 175.940 175.510 0.057 0.000 1.031 520 N CA 1.240 54.342 53.050 0.087 0.000 0.720 520 N CB -0.740 37.802 38.487 0.092 0.000 0.930 520 N HN 0.827 nan 8.380 nan 0.000 0.543 521 E N -4.354 115.872 120.200 0.043 0.000 4.851 521 E HA -0.264 4.083 4.350 -0.004 0.000 0.236 521 E C 0.510 177.086 176.600 -0.040 0.000 0.875 521 E CA 2.054 58.458 56.400 0.007 0.000 1.939 521 E CB -1.511 28.188 29.700 -0.002 0.000 1.780 521 E HN 0.638 nan 8.360 nan 0.000 0.453 522 T N 1.577 116.084 114.554 -0.078 0.000 2.909 522 T HA 0.409 4.757 4.350 -0.004 0.000 0.289 522 T C 0.029 174.494 174.700 -0.392 0.000 1.005 522 T CA -0.184 61.760 62.100 -0.259 0.000 1.084 522 T CB 0.824 69.474 68.868 -0.363 0.000 0.975 522 T HN 0.201 nan 8.240 nan 0.000 0.509 523 K N 2.732 122.858 120.400 -0.456 0.000 2.138 523 K HA 0.613 4.931 4.320 -0.004 0.000 0.263 523 K C -1.309 174.975 176.600 -0.527 0.000 0.965 523 K CA -0.738 55.327 56.287 -0.370 0.000 0.868 523 K CB 1.070 33.276 32.500 -0.490 0.000 1.083 523 K HN 0.420 nan 8.250 nan 0.000 0.443 524 F N 1.356 121.373 119.950 0.110 0.000 2.518 524 F HA 0.358 4.883 4.527 -0.004 0.000 0.323 524 F C -0.689 175.194 175.800 0.139 0.000 1.129 524 F CA -0.810 57.253 58.000 0.104 0.000 0.920 524 F CB 1.061 40.110 39.000 0.082 0.000 1.160 524 F HN 0.492 nan 8.300 nan 0.000 0.440 525 W N 3.341 124.772 121.300 0.219 0.000 2.215 525 W HA 0.481 5.139 4.660 -0.004 0.000 0.342 525 W C -0.520 176.185 176.519 0.309 0.000 1.237 525 W CA -0.375 57.125 57.345 0.259 0.000 1.283 525 W CB 0.435 29.986 29.460 0.151 0.000 1.131 525 W HN 0.461 nan 8.180 nan 0.000 0.606 526 Y N -0.796 119.824 120.300 0.533 0.000 2.656 526 Y HA 0.588 5.135 4.550 -0.004 0.000 0.334 526 Y C -1.126 175.001 175.900 0.378 0.000 1.179 526 Y CA -1.886 56.528 58.100 0.522 0.000 1.050 526 Y CB 0.969 39.913 38.460 0.807 0.000 1.308 526 Y HN 0.569 nan 8.280 nan 0.000 0.456 527 Q N 2.243 122.283 119.800 0.400 0.000 2.421 527 Q HA 0.794 5.132 4.340 -0.004 0.000 0.280 527 Q C -1.877 174.230 176.000 0.178 0.000 1.085 527 Q CA -1.202 54.704 55.803 0.173 0.000 0.807 527 Q CB 3.432 32.244 28.738 0.125 0.000 1.405 527 Q HN 0.862 nan 8.270 nan 0.000 0.419 528 M N 2.092 121.714 119.600 0.037 0.000 2.386 528 M HA 0.450 4.928 4.480 -0.004 0.000 0.293 528 M C -1.292 174.916 176.300 -0.154 0.000 1.120 528 M CA -0.932 54.318 55.300 -0.083 0.000 0.909 528 M CB 2.336 34.832 32.600 -0.174 0.000 1.661 528 M HN 0.595 nan 8.290 nan 0.000 0.452 529 I N 5.013 125.484 120.570 -0.165 0.000 2.291 529 I HA 0.354 4.522 4.170 -0.004 0.000 0.290 529 I C -0.496 175.446 176.117 -0.291 0.000 1.050 529 I CA -0.272 60.911 61.300 -0.194 0.000 1.245 529 I CB 0.172 38.081 38.000 -0.152 0.000 1.405 529 I HN 0.622 nan 8.210 nan 0.000 0.478 530 L N 8.291 129.285 121.223 -0.381 0.000 2.307 530 L HA 0.450 4.788 4.340 -0.004 0.000 0.282 530 L C -2.173 174.467 176.870 -0.383 0.000 1.051 530 L CA -1.788 52.711 54.840 -0.567 0.000 0.804 530 L CB 0.961 42.479 42.059 -0.902 0.000 1.197 530 L HN 0.254 nan 8.230 nan 0.000 0.431 531 P HA 0.079 nan 4.420 nan 0.000 0.268 531 P C -2.466 174.764 177.300 -0.116 0.000 1.208 531 P CA -0.805 62.186 63.100 -0.181 0.000 0.777 531 P CB -0.079 31.544 31.700 -0.129 0.000 0.875 532 P HA -0.014 nan 4.420 nan 0.000 0.267 532 P C -0.457 176.778 177.300 -0.108 0.000 1.200 532 P CA 0.476 63.442 63.100 -0.222 0.000 0.772 532 P CB -0.251 31.266 31.700 -0.305 0.000 0.855 533 H N -1.804 117.299 119.070 0.054 0.000 2.776 533 H HA -0.230 4.324 4.556 -0.004 0.000 0.300 533 H C 0.151 175.540 175.328 0.101 0.000 1.161 533 H CA -0.339 55.748 56.048 0.064 0.000 1.147 533 H CB -2.194 27.598 29.762 0.050 0.000 1.366 533 H HN 0.318 nan 8.280 nan 0.000 0.397 534 F N 2.145 122.089 119.950 -0.010 0.000 2.642 534 F HA 0.084 4.609 4.527 -0.004 0.000 0.371 534 F C 0.584 176.416 175.800 0.052 0.000 1.120 534 F CA 0.339 58.289 58.000 -0.084 0.000 1.331 534 F CB 0.496 39.331 39.000 -0.276 0.000 1.044 534 F HN 0.277 nan 8.300 nan 0.000 0.594 535 D N 5.144 125.189 120.400 -0.591 0.000 2.575 535 D HA 0.164 4.802 4.640 -0.004 0.000 0.250 535 D C 0.085 176.007 176.300 -0.630 0.000 1.279 535 D CA -0.612 53.127 54.000 -0.434 0.000 0.925 535 D CB 1.055 41.769 40.800 -0.144 0.000 1.261 535 D HN 0.614 nan 8.370 nan 0.000 0.567 536 K N 1.206 121.274 120.400 -0.553 0.000 2.574 536 K HA -0.041 4.277 4.320 -0.004 0.000 0.193 536 K C 1.043 177.648 176.600 0.007 0.000 1.035 536 K CA 0.516 56.687 56.287 -0.193 0.000 0.982 536 K CB -0.092 32.485 32.500 0.128 0.000 0.795 536 K HN 0.215 nan 8.250 nan 0.000 0.491 537 S N 0.172 115.829 115.700 -0.073 0.000 2.524 537 S HA 0.065 4.533 4.470 -0.004 0.000 0.216 537 S C 0.422 174.978 174.600 -0.072 0.000 0.987 537 S CA -0.393 57.781 58.200 -0.044 0.000 0.909 537 S CB 0.042 63.209 63.200 -0.055 0.000 0.781 537 S HN 0.211 nan 8.310 nan 0.000 0.521 538 K N 1.051 121.371 120.400 -0.132 0.000 2.106 538 K HA 0.447 4.765 4.320 -0.004 0.000 0.246 538 K C -0.648 175.844 176.600 -0.181 0.000 0.987 538 K CA -0.846 55.294 56.287 -0.244 0.000 0.904 538 K CB 0.601 32.801 32.500 -0.500 0.000 1.071 538 K HN -0.045 nan 8.250 nan 0.000 0.453 539 K N 2.317 122.574 120.400 -0.239 0.000 2.316 539 K HA 0.259 4.577 4.320 -0.004 0.000 0.267 539 K C -0.987 175.493 176.600 -0.199 0.000 1.025 539 K CA -0.342 55.884 56.287 -0.103 0.000 0.896 539 K CB 0.597 33.046 32.500 -0.086 0.000 1.124 539 K HN 0.458 nan 8.250 nan 0.000 0.451 540 Y N 3.140 123.474 120.300 0.057 0.000 2.352 540 Y HA 0.267 4.815 4.550 -0.004 0.000 0.326 540 Y C -1.697 174.150 175.900 -0.088 0.000 1.166 540 Y CA -2.108 55.997 58.100 0.008 0.000 1.182 540 Y CB 0.895 39.421 38.460 0.110 0.000 1.216 540 Y HN 0.432 nan 8.280 nan 0.000 0.474 541 P HA 0.197 nan 4.420 nan 0.000 0.277 541 P C -1.187 175.979 177.300 -0.223 0.000 1.240 541 P CA -0.254 62.577 63.100 -0.448 0.000 0.798 541 P CB 1.679 32.724 31.700 -1.093 0.000 0.979 542 L N 2.958 124.106 121.223 -0.126 0.000 2.362 542 L HA 0.490 4.828 4.340 -0.004 0.000 0.275 542 L C -1.055 176.015 176.870 0.334 0.000 0.998 542 L CA -1.171 53.737 54.840 0.113 0.000 0.820 542 L CB 1.719 43.862 42.059 0.140 0.000 1.270 542 L HN 0.175 nan 8.230 nan 0.000 0.415 543 L N 5.630 127.053 121.223 0.332 0.000 2.287 543 L HA 0.494 4.832 4.340 -0.004 0.000 0.287 543 L C -1.231 175.862 176.870 0.372 0.000 1.022 543 L CA -0.337 54.745 54.840 0.404 0.000 0.814 543 L CB 1.547 43.786 42.059 0.301 0.000 1.217 543 L HN 0.600 nan 8.230 nan 0.000 0.420 544 L N 5.339 126.828 121.223 0.443 0.000 2.268 544 L HA 0.403 4.741 4.340 -0.004 0.000 0.289 544 L C -0.520 176.577 176.870 0.377 0.000 1.064 544 L CA 0.154 55.239 54.840 0.409 0.000 0.824 544 L CB 0.444 42.779 42.059 0.460 0.000 1.202 544 L HN 0.651 nan 8.230 nan 0.000 0.433 545 D N 4.329 124.936 120.400 0.346 0.000 2.316 545 D HA 0.285 4.923 4.640 -0.004 0.000 0.245 545 D C -0.817 175.570 176.300 0.145 0.000 1.171 545 D CA 0.099 54.243 54.000 0.239 0.000 0.856 545 D CB 1.300 42.296 40.800 0.328 0.000 1.090 545 D HN 0.362 nan 8.370 nan 0.000 0.476 546 V N 4.544 124.467 119.914 0.014 0.000 3.001 546 V HA 0.552 4.670 4.120 -0.004 0.000 0.314 546 V C -1.235 174.932 176.094 0.121 0.000 1.099 546 V CA -0.373 61.992 62.300 0.108 0.000 0.989 546 V CB 1.987 33.880 31.823 0.118 0.000 1.040 546 V HN 0.673 nan 8.190 nan 0.000 0.434 547 Y N 4.011 124.382 120.300 0.118 0.000 3.280 547 Y HA 0.568 5.116 4.550 -0.004 0.000 0.195 547 Y C 1.672 177.703 175.900 0.217 0.000 0.916 547 Y CA 1.383 59.577 58.100 0.158 0.000 1.655 547 Y CB 0.214 38.745 38.460 0.117 0.000 1.472 547 Y HN 1.353 nan 8.280 nan 0.000 0.384 548 A N 0.949 123.943 122.820 0.289 0.000 2.861 548 A HA -0.181 4.137 4.320 -0.004 0.000 0.261 548 A C 0.956 178.474 177.584 -0.110 0.000 1.351 548 A CA 1.048 53.184 52.037 0.164 0.000 0.904 548 A CB -2.426 16.702 19.000 0.214 0.000 1.076 548 A HN 0.905 nan 8.150 nan 0.000 0.729 549 G N -0.510 108.090 108.800 -0.334 0.000 2.651 549 G HA2 0.494 4.452 3.960 -0.004 0.000 0.260 549 G HA3 0.494 4.452 3.960 -0.004 0.000 0.260 549 G C -1.894 172.733 174.900 -0.454 0.000 1.216 549 G CA -0.573 43.859 45.100 -1.112 0.000 0.913 549 G HN 0.434 nan 8.290 nan 0.000 0.535 550 P HA 0.060 nan 4.420 nan 0.000 0.267 550 P C 0.520 177.689 177.300 -0.218 0.000 1.209 550 P CA 0.187 63.042 63.100 -0.408 0.000 0.763 550 P CB 0.874 31.985 31.700 -0.982 0.000 0.816 551 C N 2.216 121.428 119.300 -0.146 0.000 4.417 551 C HA -0.143 4.315 4.460 -0.004 0.000 0.284 551 C C 1.063 176.034 174.990 -0.033 0.000 1.379 551 C CA 1.179 60.059 59.018 -0.229 0.000 1.918 551 C CB -2.647 24.776 27.740 -0.529 0.000 1.280 551 C HN 0.830 nan 8.230 nan 0.000 0.783 552 S N 0.060 115.804 115.700 0.073 0.000 2.632 552 S HA 0.595 5.063 4.470 -0.004 0.000 0.267 552 S C -0.620 174.097 174.600 0.196 0.000 1.276 552 S CA 0.270 58.581 58.200 0.186 0.000 0.998 552 S CB 1.679 65.028 63.200 0.249 0.000 0.953 552 S HN 0.885 nan 8.310 nan 0.000 0.547 553 Q N 0.140 120.086 119.800 0.242 0.000 2.406 553 Q HA 0.348 4.686 4.340 -0.004 0.000 0.244 553 Q C -0.737 175.380 176.000 0.195 0.000 0.884 553 Q CA -0.567 55.387 55.803 0.251 0.000 0.813 553 Q CB 1.007 29.968 28.738 0.371 0.000 1.368 553 Q HN 0.693 nan 8.270 nan 0.000 0.439 554 K N 1.199 121.714 120.400 0.191 0.000 2.355 554 K HA 0.320 4.638 4.320 -0.004 0.000 0.198 554 K C -0.260 176.443 176.600 0.172 0.000 1.039 554 K CA 0.360 56.751 56.287 0.174 0.000 1.075 554 K CB 1.406 34.033 32.500 0.212 0.000 0.870 554 K HN 0.499 nan 8.250 nan 0.000 0.540 555 A N 2.891 125.824 122.820 0.189 0.000 2.444 555 A HA 0.363 4.681 4.320 -0.004 0.000 0.332 555 A C -0.717 176.947 177.584 0.134 0.000 1.430 555 A CA -0.516 51.638 52.037 0.196 0.000 0.975 555 A CB -0.092 19.081 19.000 0.289 0.000 1.147 555 A HN 0.249 nan 8.150 nan 0.000 0.524 556 D N -0.277 120.180 120.400 0.095 0.000 2.744 556 D HA 0.449 5.087 4.640 -0.004 0.000 0.304 556 D C 0.391 176.723 176.300 0.053 0.000 1.179 556 D CA 0.236 54.285 54.000 0.082 0.000 1.024 556 D CB 0.355 41.205 40.800 0.084 0.000 1.453 556 D HN 0.114 nan 8.370 nan 0.000 0.529 557 T N -2.235 112.374 114.554 0.091 0.000 3.223 557 T HA 0.348 4.696 4.350 -0.004 0.000 0.259 557 T C 0.296 174.982 174.700 -0.023 0.000 1.015 557 T CA -0.426 61.715 62.100 0.067 0.000 0.908 557 T CB -0.738 68.207 68.868 0.128 0.000 1.054 557 T HN 0.256 nan 8.240 nan 0.000 0.567 558 V N 2.310 122.114 119.914 -0.182 0.000 2.649 558 V HA 0.381 4.499 4.120 -0.004 0.000 0.292 558 V C -0.015 176.042 176.094 -0.061 0.000 1.055 558 V CA -1.045 61.108 62.300 -0.246 0.000 1.023 558 V CB 0.477 32.025 31.823 -0.458 0.000 0.992 558 V HN 0.557 nan 8.190 nan 0.000 0.480 559 F N 6.042 125.898 119.950 -0.157 0.000 2.421 559 F HA 0.547 5.072 4.527 -0.004 0.000 0.358 559 F C 0.469 176.211 175.800 -0.096 0.000 1.115 559 F CA -0.231 57.700 58.000 -0.114 0.000 1.160 559 F CB 0.235 39.174 39.000 -0.102 0.000 1.123 559 F HN 0.419 nan 8.300 nan 0.000 0.508 560 R N 6.318 126.435 120.500 -0.639 0.000 2.750 560 R HA 0.586 4.924 4.340 -0.004 0.000 0.281 560 R C -1.505 174.396 176.300 -0.666 0.000 0.972 560 R CA -1.064 54.742 56.100 -0.489 0.000 0.912 560 R CB 2.132 32.289 30.300 -0.238 0.000 1.187 560 R HN 0.654 nan 8.270 nan 0.000 0.464 561 L N 4.177 125.164 121.223 -0.394 0.000 2.337 561 L HA 0.387 4.725 4.340 -0.004 0.000 0.269 561 L C -0.728 176.100 176.870 -0.069 0.000 1.018 561 L CA -0.651 53.991 54.840 -0.330 0.000 0.876 561 L CB 0.507 42.486 42.059 -0.133 0.000 1.236 561 L HN 0.767 nan 8.230 nan 0.000 0.436 562 N N 0.134 118.725 118.700 -0.181 0.000 3.387 562 N HA 0.170 4.908 4.740 -0.004 0.000 0.322 562 N C 0.230 175.407 175.510 -0.555 0.000 1.588 562 N CA -0.890 51.978 53.050 -0.304 0.000 0.778 562 N CB 0.182 38.607 38.487 -0.103 0.000 1.883 562 N HN 0.278 nan 8.380 nan 0.000 0.628 563 W N 0.549 121.240 121.300 -1.014 0.000 2.342 563 W HA 0.129 4.787 4.660 -0.004 0.000 0.297 563 W C 1.971 178.427 176.519 -0.106 0.000 1.213 563 W CA 2.751 59.737 57.345 -0.597 0.000 1.251 563 W CB -0.923 28.304 29.460 -0.389 0.000 1.136 563 W HN 0.697 nan 8.180 nan 0.000 0.526 564 A N -0.700 122.084 122.820 -0.059 0.000 1.969 564 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 564 A C 1.941 179.418 177.584 -0.178 0.000 1.169 564 A CA 2.239 54.184 52.037 -0.154 0.000 0.635 564 A CB -1.203 17.785 19.000 -0.020 0.000 0.810 564 A HN 0.277 nan 8.150 nan 0.000 0.445 565 T N -1.135 113.325 114.554 -0.156 0.000 2.684 565 T HA -0.206 4.142 4.350 -0.004 0.000 0.267 565 T C 1.817 176.541 174.700 0.041 0.000 1.036 565 T CA 1.804 63.790 62.100 -0.189 0.000 1.148 565 T CB -0.487 68.087 68.868 -0.490 0.000 0.863 565 T HN 0.693 nan 8.240 nan 0.000 0.436 566 Y N 2.008 122.400 120.300 0.153 0.000 2.145 566 Y HA -0.029 4.519 4.550 -0.003 0.000 0.286 566 Y C 1.961 177.846 175.900 -0.025 0.000 1.145 566 Y CA 0.978 59.194 58.100 0.193 0.000 1.148 566 Y CB -0.758 37.791 38.460 0.149 0.000 0.981 566 Y HN 0.121 nan 8.280 nan 0.000 0.507 567 L N 0.172 120.979 121.223 -0.693 0.000 2.079 567 L HA -0.212 4.126 4.340 -0.004 0.000 0.210 567 L C 2.776 179.377 176.870 -0.448 0.000 1.081 567 L CA 1.298 55.647 54.840 -0.818 0.000 0.752 567 L CB -0.914 40.711 42.059 -0.724 0.000 0.896 567 L HN 0.434 nan 8.230 nan 0.000 0.433 568 A N -1.262 121.380 122.820 -0.296 0.000 1.878 568 A HA -0.148 4.170 4.320 -0.004 0.000 0.213 568 A C 2.503 179.999 177.584 -0.145 0.000 1.192 568 A CA 1.493 53.408 52.037 -0.203 0.000 0.619 568 A CB -0.531 18.350 19.000 -0.199 0.000 0.837 568 A HN 0.314 nan 8.150 nan 0.000 0.446 569 S N -1.091 114.548 115.700 -0.102 0.000 2.368 569 S HA -0.111 4.357 4.470 -0.004 0.000 0.224 569 S C 1.951 176.553 174.600 0.003 0.000 1.029 569 S CA 2.286 60.474 58.200 -0.020 0.000 0.988 569 S CB -0.356 62.895 63.200 0.084 0.000 0.838 569 S HN 0.547 nan 8.310 nan 0.000 0.462 570 T N 1.044 115.574 114.554 -0.040 0.000 3.021 570 T HA 0.194 4.542 4.350 -0.004 0.000 0.245 570 T C 1.217 175.867 174.700 -0.083 0.000 1.028 570 T CA 0.491 62.584 62.100 -0.011 0.000 1.139 570 T CB -0.074 68.867 68.868 0.121 0.000 0.884 570 T HN 0.280 nan 8.240 nan 0.000 0.457 571 E N 1.461 121.516 120.200 -0.242 0.000 2.463 571 E HA 0.172 4.519 4.350 -0.004 0.000 0.193 571 E C -0.109 176.457 176.600 -0.058 0.000 1.041 571 E CA -0.140 56.167 56.400 -0.154 0.000 0.879 571 E CB -0.469 29.078 29.700 -0.255 0.000 0.997 571 E HN 0.492 nan 8.360 nan 0.000 0.478 572 N N 0.800 119.478 118.700 -0.037 0.000 2.708 572 N HA -0.209 4.529 4.740 -0.004 0.000 0.251 572 N C -0.739 174.816 175.510 0.075 0.000 1.017 572 N CA 0.417 53.500 53.050 0.054 0.000 0.742 572 N CB -1.164 37.418 38.487 0.159 0.000 0.943 572 N HN 0.272 nan 8.380 nan 0.000 0.539 573 I N 0.666 121.216 120.570 -0.034 0.000 2.412 573 I HA 0.337 4.505 4.170 -0.004 0.000 0.296 573 I C 0.635 176.703 176.117 -0.082 0.000 0.987 573 I CA -0.887 60.402 61.300 -0.018 0.000 1.180 573 I CB 1.282 39.288 38.000 0.009 0.000 1.340 573 I HN 0.019 nan 8.210 nan 0.000 0.455 574 I N 6.239 126.771 120.570 -0.063 0.000 2.441 574 I HA 0.198 4.365 4.170 -0.004 0.000 0.287 574 I C -0.383 175.701 176.117 -0.056 0.000 1.049 574 I CA -0.472 60.745 61.300 -0.139 0.000 1.381 574 I CB 1.139 39.054 38.000 -0.142 0.000 1.409 574 I HN 0.197 nan 8.210 nan 0.000 0.523 575 V N 6.309 126.175 119.914 -0.080 0.000 2.384 575 V HA 0.676 4.794 4.120 -0.004 0.000 0.287 575 V C 0.247 176.348 176.094 0.012 0.000 1.020 575 V CA -0.420 61.887 62.300 0.011 0.000 0.850 575 V CB 1.265 33.090 31.823 0.004 0.000 0.987 575 V HN 0.867 nan 8.190 nan 0.000 0.436 576 A N 3.885 126.747 122.820 0.070 0.000 2.384 576 A HA 0.970 5.288 4.320 -0.004 0.000 0.312 576 A C -0.313 177.413 177.584 0.236 0.000 1.113 576 A CA -0.545 51.528 52.037 0.060 0.000 0.779 576 A CB 1.991 20.857 19.000 -0.223 0.000 1.307 576 A HN 0.683 nan 8.150 nan 0.000 0.436 577 S N -0.474 115.416 115.700 0.316 0.000 2.569 577 S HA 0.793 5.261 4.470 -0.004 0.000 0.280 577 S C -1.549 173.411 174.600 0.600 0.000 1.111 577 S CA -0.300 58.141 58.200 0.401 0.000 0.887 577 S CB 1.412 64.789 63.200 0.296 0.000 1.095 577 S HN 0.837 nan 8.310 nan 0.000 0.476 578 F N 1.652 121.837 119.950 0.391 0.000 2.581 578 F HA 0.442 4.967 4.527 -0.004 0.000 0.311 578 F C -1.642 174.355 175.800 0.329 0.000 1.113 578 F CA -0.686 57.566 58.000 0.421 0.000 0.935 578 F CB 1.542 40.764 39.000 0.369 0.000 1.232 578 F HN 0.413 nan 8.300 nan 0.000 0.445 579 D N 4.854 125.060 120.400 -0.324 0.000 2.485 579 D HA 0.336 4.974 4.640 -0.004 0.000 0.229 579 D C 0.391 176.430 176.300 -0.435 0.000 1.101 579 D CA 0.076 53.970 54.000 -0.178 0.000 0.906 579 D CB 1.437 42.269 40.800 0.053 0.000 1.019 579 D HN 0.754 nan 8.370 nan 0.000 0.516 580 G N 1.149 109.789 108.800 -0.266 0.000 2.630 580 G HA2 0.255 4.212 3.960 -0.004 0.000 0.223 580 G HA3 0.255 4.212 3.960 -0.004 0.000 0.223 580 G C 0.262 175.169 174.900 0.012 0.000 1.434 580 G CA -0.698 44.283 45.100 -0.198 0.000 1.057 580 G HN 0.280 nan 8.290 nan 0.000 0.570 581 R N -0.793 119.696 120.500 -0.018 0.000 2.638 581 R HA 0.331 4.669 4.340 -0.004 0.000 0.268 581 R C 1.350 177.727 176.300 0.129 0.000 1.006 581 R CA 1.541 57.710 56.100 0.115 0.000 1.088 581 R CB 0.268 30.613 30.300 0.075 0.000 0.950 581 R HN 1.081 nan 8.270 nan 0.000 0.419 582 G N 0.997 109.868 108.800 0.117 0.000 2.241 582 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.244 582 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.244 582 G C 0.165 175.087 174.900 0.036 0.000 0.998 582 G CA 0.258 45.413 45.100 0.091 0.000 0.621 582 G HN 0.745 nan 8.290 nan 0.000 0.519 583 S N 0.211 115.942 115.700 0.051 0.000 2.608 583 S HA 0.667 5.135 4.470 -0.004 0.000 0.261 583 S C 0.829 175.399 174.600 -0.051 0.000 1.314 583 S CA 0.475 58.694 58.200 0.031 0.000 0.992 583 S CB 1.786 65.036 63.200 0.084 0.000 0.935 583 S HN 1.681 nan 8.310 nan 0.000 0.564 584 G N -1.117 107.603 108.800 -0.133 0.000 2.601 584 G HA2 0.514 4.472 3.960 -0.004 0.000 0.317 584 G HA3 0.514 4.472 3.960 -0.004 0.000 0.317 584 G C -1.047 173.667 174.900 -0.309 0.000 1.246 584 G CA -1.039 43.812 45.100 -0.414 0.000 1.012 584 G HN 0.932 nan 8.290 nan 0.000 0.494 585 Y N -2.341 117.947 120.300 -0.020 0.000 4.668 585 Y HA -0.211 4.337 4.550 -0.004 0.000 0.234 585 Y C 1.327 177.222 175.900 -0.009 0.000 1.056 585 Y CA 1.005 59.100 58.100 -0.008 0.000 2.025 585 Y CB -2.250 36.222 38.460 0.021 0.000 1.613 585 Y HN 0.556 nan 8.280 nan 0.000 0.653 586 Q N -0.119 119.684 119.800 0.005 0.000 2.084 586 Q HA 0.519 4.857 4.340 -0.004 0.000 0.230 586 Q C 0.864 176.721 176.000 -0.238 0.000 0.806 586 Q CA 0.195 56.006 55.803 0.013 0.000 1.083 586 Q CB 1.681 30.438 28.738 0.031 0.000 1.208 586 Q HN 0.597 nan 8.270 nan 0.000 0.462 587 G N 0.799 109.330 108.800 -0.448 0.000 2.675 587 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.686 587 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.686 587 G C -0.501 174.027 174.900 -0.619 0.000 1.215 587 G CA -0.620 43.954 45.100 -0.877 0.000 0.777 587 G HN 0.114 nan 8.290 nan 0.000 0.638 588 D N 0.071 120.072 120.400 -0.664 0.000 2.310 588 D HA -0.045 4.593 4.640 -0.004 0.000 0.212 588 D C 2.138 178.156 176.300 -0.470 0.000 0.965 588 D CA 1.171 54.734 54.000 -0.727 0.000 0.879 588 D CB 0.116 40.400 40.800 -0.859 0.000 0.921 588 D HN 0.590 nan 8.370 nan 0.000 0.510 589 K N 0.337 120.516 120.400 -0.370 0.000 2.097 589 K HA -0.046 4.271 4.320 -0.004 0.000 0.206 589 K C 1.991 178.506 176.600 -0.143 0.000 1.049 589 K CA 0.758 56.918 56.287 -0.212 0.000 0.933 589 K CB 0.075 32.466 32.500 -0.182 0.000 0.717 589 K HN 0.087 nan 8.250 nan 0.000 0.442 590 I N -0.022 120.452 120.570 -0.159 0.000 2.339 590 I HA -0.167 4.001 4.170 -0.004 0.000 0.245 590 I C 2.467 178.563 176.117 -0.036 0.000 1.096 590 I CA 0.607 61.885 61.300 -0.038 0.000 1.408 590 I CB -0.044 37.956 38.000 0.001 0.000 1.092 590 I HN 0.271 nan 8.210 nan 0.000 0.423 591 M N 0.186 119.696 119.600 -0.150 0.000 2.086 591 M HA -0.237 4.241 4.480 -0.004 0.000 0.261 591 M C 1.860 178.182 176.300 0.036 0.000 1.067 591 M CA 2.005 57.241 55.300 -0.106 0.000 1.116 591 M CB -0.312 32.124 32.600 -0.272 0.000 1.348 591 M HN 0.257 nan 8.290 nan 0.000 0.407 592 H N -0.709 118.240 119.070 -0.200 0.000 2.543 592 H HA 0.162 4.715 4.556 -0.004 0.000 0.269 592 H C 1.785 177.107 175.328 -0.011 0.000 1.005 592 H CA 0.073 56.007 56.048 -0.191 0.000 1.146 592 H CB 0.127 29.688 29.762 -0.335 0.000 1.353 592 H HN 0.521 nan 8.280 nan 0.000 0.595 593 A N 1.472 124.371 122.820 0.131 0.000 2.019 593 A HA -0.114 4.204 4.320 -0.004 0.000 0.219 593 A C 2.084 179.830 177.584 0.270 0.000 1.164 593 A CA 0.940 53.057 52.037 0.133 0.000 0.644 593 A CB -0.582 18.447 19.000 0.048 0.000 0.805 593 A HN 0.570 nan 8.150 nan 0.000 0.449 594 I N -2.861 117.870 120.570 0.268 0.000 3.812 594 I HA 0.118 4.286 4.170 -0.004 0.000 0.320 594 I C 0.468 176.701 176.117 0.193 0.000 1.276 594 I CA -0.379 61.069 61.300 0.247 0.000 1.164 594 I CB -0.831 37.279 38.000 0.183 0.000 1.009 594 I HN 0.242 nan 8.210 nan 0.000 0.431 595 N N 3.029 121.872 118.700 0.240 0.000 2.292 595 N HA -0.113 4.625 4.740 -0.004 0.000 0.258 595 N C 0.219 175.786 175.510 0.095 0.000 1.261 595 N CA 0.309 53.498 53.050 0.232 0.000 0.845 595 N CB 0.303 38.863 38.487 0.122 0.000 1.064 595 N HN 0.372 nan 8.380 nan 0.000 0.471 596 R N 0.357 120.896 120.500 0.065 0.000 4.000 596 R HA -0.202 4.136 4.340 -0.004 0.000 0.348 596 R C -0.364 175.860 176.300 -0.127 0.000 1.204 596 R CA 0.814 56.906 56.100 -0.014 0.000 0.987 596 R CB -0.816 29.485 30.300 0.002 0.000 1.446 596 R HN 0.555 nan 8.270 nan 0.000 0.555 597 R N 0.623 121.037 120.500 -0.143 0.000 2.647 597 R HA 0.338 4.676 4.340 -0.004 0.000 0.295 597 R C -0.709 175.566 176.300 -0.041 0.000 1.267 597 R CA -0.205 55.669 56.100 -0.378 0.000 1.386 597 R CB 0.496 30.583 30.300 -0.355 0.000 1.309 597 R HN 0.081 nan 8.270 nan 0.000 0.692 598 L N -0.562 120.727 121.223 0.111 0.000 2.439 598 L HA 0.364 4.701 4.340 -0.004 0.000 0.269 598 L C 1.314 178.440 176.870 0.428 0.000 1.179 598 L CA 0.595 55.541 54.840 0.176 0.000 0.828 598 L CB 0.755 42.725 42.059 -0.149 0.000 1.106 598 L HN 0.657 nan 8.230 nan 0.000 0.467 599 G N 0.624 109.699 108.800 0.459 0.000 2.132 599 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.234 599 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.234 599 G C 0.348 175.331 174.900 0.138 0.000 0.989 599 G CA 0.473 45.778 45.100 0.342 0.000 0.676 599 G HN 0.855 nan 8.290 nan 0.000 0.522 600 T N -3.583 111.008 114.554 0.061 0.000 2.964 600 T HA 0.485 4.833 4.350 -0.004 0.000 0.161 600 T C 1.580 176.226 174.700 -0.091 0.000 0.859 600 T CA 0.848 62.867 62.100 -0.135 0.000 1.015 600 T CB -0.033 68.555 68.868 -0.466 0.000 2.138 600 T HN 0.187 nan 8.240 nan 0.000 0.367 601 F N 3.507 123.495 119.950 0.064 0.000 2.154 601 F HA 0.023 4.547 4.527 -0.004 0.000 0.301 601 F C 2.772 178.606 175.800 0.058 0.000 1.087 601 F CA 1.489 59.516 58.000 0.046 0.000 1.274 601 F CB -0.636 38.387 39.000 0.038 0.000 1.009 601 F HN 0.553 nan 8.300 nan 0.000 0.485 602 E N 0.580 120.932 120.200 0.252 0.000 2.274 602 E HA -0.092 4.256 4.350 -0.004 0.000 0.194 602 E C 2.036 178.742 176.600 0.177 0.000 0.996 602 E CA 1.147 57.675 56.400 0.214 0.000 0.840 602 E CB -0.857 28.973 29.700 0.218 0.000 0.772 602 E HN 0.307 nan 8.360 nan 0.000 0.491 603 V N 1.615 121.606 119.914 0.128 0.000 2.331 603 V HA -0.175 3.942 4.120 -0.004 0.000 0.242 603 V C 2.289 178.415 176.094 0.054 0.000 1.034 603 V CA 1.929 64.260 62.300 0.052 0.000 1.027 603 V CB -0.501 31.309 31.823 -0.022 0.000 0.667 603 V HN 0.194 nan 8.190 nan 0.000 0.457 604 E N 0.341 120.582 120.200 0.068 0.000 2.058 604 E HA -0.257 4.091 4.350 -0.004 0.000 0.194 604 E C 1.921 178.550 176.600 0.048 0.000 0.997 604 E CA 1.640 58.079 56.400 0.064 0.000 0.801 604 E CB -0.253 29.510 29.700 0.104 0.000 0.746 604 E HN 0.549 nan 8.360 nan 0.000 0.450 605 D N 0.337 120.783 120.400 0.075 0.000 2.182 605 D HA -0.163 4.475 4.640 -0.004 0.000 0.201 605 D C 1.929 178.206 176.300 -0.039 0.000 0.986 605 D CA 0.926 54.937 54.000 0.017 0.000 0.847 605 D CB -0.166 40.688 40.800 0.090 0.000 0.942 605 D HN 0.027 nan 8.370 nan 0.000 0.467 606 Q N 0.089 119.935 119.800 0.076 0.000 2.119 606 Q HA -0.003 4.335 4.340 -0.004 0.000 0.201 606 Q C 2.121 178.153 176.000 0.054 0.000 0.972 606 Q CA 0.812 56.670 55.803 0.092 0.000 0.847 606 Q CB -0.167 28.651 28.738 0.133 0.000 0.903 606 Q HN 0.353 nan 8.270 nan 0.000 0.433 607 I N -0.086 120.529 120.570 0.075 0.000 2.202 607 I HA -0.221 3.947 4.170 -0.004 0.000 0.242 607 I C 2.162 178.251 176.117 -0.048 0.000 1.091 607 I CA 1.259 62.646 61.300 0.146 0.000 1.368 607 I CB -0.250 37.822 38.000 0.119 0.000 1.058 607 I HN 0.205 nan 8.210 nan 0.000 0.410 608 E N 1.615 121.731 120.200 -0.141 0.000 2.110 608 E HA -0.210 4.138 4.350 -0.004 0.000 0.193 608 E C 2.085 178.410 176.600 -0.458 0.000 0.988 608 E CA 1.632 57.885 56.400 -0.245 0.000 0.804 608 E CB -0.189 29.382 29.700 -0.215 0.000 0.745 608 E HN 0.415 nan 8.360 nan 0.000 0.458 609 A N 0.824 123.246 122.820 -0.663 0.000 1.908 609 A HA -0.115 4.203 4.320 -0.004 0.000 0.218 609 A C 2.470 179.443 177.584 -1.019 0.000 1.181 609 A CA 2.326 53.675 52.037 -1.147 0.000 0.627 609 A CB -1.106 17.165 19.000 -1.215 0.000 0.818 609 A HN 0.404 nan 8.150 nan 0.000 0.445 610 A N -0.296 122.290 122.820 -0.390 0.000 1.902 610 A HA -0.165 4.153 4.320 -0.004 0.000 0.217 610 A C 2.236 179.666 177.584 -0.255 0.000 1.181 610 A CA 1.513 53.458 52.037 -0.154 0.000 0.623 610 A CB -0.492 18.439 19.000 -0.116 0.000 0.818 610 A HN 0.564 nan 8.150 nan 0.000 0.443 611 R N -0.688 119.637 120.500 -0.291 0.000 2.080 611 R HA -0.164 4.174 4.340 -0.004 0.000 0.236 611 R C 2.435 178.579 176.300 -0.261 0.000 1.137 611 R CA 1.599 57.554 56.100 -0.242 0.000 0.943 611 R CB -0.400 29.775 30.300 -0.208 0.000 0.846 611 R HN 0.565 nan 8.270 nan 0.000 0.431 612 Q N -0.169 119.397 119.800 -0.390 0.000 2.135 612 Q HA -0.152 4.186 4.340 -0.004 0.000 0.204 612 Q C 2.085 177.915 176.000 -0.284 0.000 0.981 612 Q CA 1.457 57.034 55.803 -0.378 0.000 0.856 612 Q CB -0.216 28.206 28.738 -0.526 0.000 0.902 612 Q HN 0.297 nan 8.270 nan 0.000 0.425 613 F N 1.247 121.052 119.950 -0.242 0.000 2.146 613 F HA -0.145 4.379 4.527 -0.003 0.000 0.298 613 F C 2.750 178.391 175.800 -0.264 0.000 1.096 613 F CA 1.227 59.086 58.000 -0.236 0.000 1.275 613 F CB -1.319 37.601 39.000 -0.134 0.000 1.008 613 F HN 0.075 nan 8.300 nan 0.000 0.480 614 S N -0.138 115.545 115.700 -0.028 0.000 2.382 614 S HA -0.171 4.297 4.470 -0.004 0.000 0.228 614 S C 1.710 176.213 174.600 -0.160 0.000 1.027 614 S CA 0.909 59.051 58.200 -0.096 0.000 0.991 614 S CB -0.460 62.682 63.200 -0.098 0.000 0.823 614 S HN 0.158 nan 8.310 nan 0.000 0.469 615 K N 1.231 121.535 120.400 -0.160 0.000 2.555 615 K HA 0.254 4.572 4.320 -0.004 0.000 0.193 615 K C 1.393 177.874 176.600 -0.199 0.000 1.032 615 K CA 0.362 56.556 56.287 -0.155 0.000 1.004 615 K CB -0.621 31.801 32.500 -0.130 0.000 0.804 615 K HN 0.559 nan 8.250 nan 0.000 0.496 616 M N -0.853 118.553 119.600 -0.323 0.000 2.618 616 M HA 0.047 4.524 4.480 -0.004 0.000 0.240 616 M C 1.019 176.971 176.300 -0.581 0.000 1.123 616 M CA 0.738 55.742 55.300 -0.494 0.000 1.060 616 M CB 0.007 32.122 32.600 -0.808 0.000 1.535 616 M HN 0.366 nan 8.290 nan 0.000 0.507 617 G N 1.380 109.940 108.800 -0.399 0.000 2.245 617 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.264 617 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.264 617 G C 0.416 175.261 174.900 -0.091 0.000 0.985 617 G CA 0.601 45.577 45.100 -0.207 0.000 0.625 617 G HN 0.612 nan 8.290 nan 0.000 0.536 618 F N 0.056 120.071 119.950 0.109 0.000 2.647 618 F HA 0.764 5.289 4.527 -0.003 0.000 0.300 618 F C 0.159 176.084 175.800 0.207 0.000 1.106 618 F CA -1.670 56.431 58.000 0.169 0.000 1.313 618 F CB -0.062 39.123 39.000 0.309 0.000 1.007 618 F HN 0.083 nan 8.300 nan 0.000 0.536 619 V N 1.353 121.379 119.914 0.186 0.000 2.495 619 V HA 0.229 4.347 4.120 -0.004 0.000 0.298 619 V C -0.719 175.397 176.094 0.036 0.000 1.031 619 V CA -0.809 61.589 62.300 0.162 0.000 0.871 619 V CB 1.762 33.645 31.823 0.100 0.000 0.988 619 V HN 0.078 nan 8.190 nan 0.000 0.432 620 D N 3.993 124.399 120.400 0.009 0.000 2.402 620 D HA 0.075 4.713 4.640 -0.004 0.000 0.235 620 D C 1.200 177.468 176.300 -0.054 0.000 1.226 620 D CA 0.037 54.008 54.000 -0.049 0.000 0.918 620 D CB 0.393 41.136 40.800 -0.094 0.000 1.043 620 D HN 0.474 nan 8.370 nan 0.000 0.506 621 N N 3.062 121.730 118.700 -0.053 0.000 2.493 621 N HA -0.181 4.556 4.740 -0.004 0.000 0.191 621 N C 0.878 176.357 175.510 -0.051 0.000 1.041 621 N CA 0.845 53.857 53.050 -0.064 0.000 0.904 621 N CB 0.240 38.686 38.487 -0.068 0.000 0.948 621 N HN 0.544 nan 8.380 nan 0.000 0.446 622 K N 0.268 120.644 120.400 -0.039 0.000 2.379 622 K HA 0.131 4.449 4.320 -0.004 0.000 0.194 622 K C 0.318 176.931 176.600 0.022 0.000 1.031 622 K CA 0.278 56.558 56.287 -0.012 0.000 1.037 622 K CB 0.471 32.963 32.500 -0.014 0.000 0.824 622 K HN 0.001 nan 8.250 nan 0.000 0.516 623 R N 1.303 121.790 120.500 -0.023 0.000 2.748 623 R HA 0.348 4.686 4.340 -0.004 0.000 0.283 623 R C -1.008 175.309 176.300 0.027 0.000 1.507 623 R CA -0.064 56.023 56.100 -0.022 0.000 1.666 623 R CB 0.566 30.637 30.300 -0.381 0.000 1.237 623 R HN -0.014 nan 8.270 nan 0.000 0.633 624 I N 1.249 121.955 120.570 0.227 0.000 2.382 624 I HA 0.509 4.677 4.170 -0.004 0.000 0.285 624 I C 0.094 176.532 176.117 0.534 0.000 1.007 624 I CA -0.754 60.720 61.300 0.291 0.000 1.142 624 I CB 1.730 39.740 38.000 0.017 0.000 1.289 624 I HN 0.333 nan 8.210 nan 0.000 0.453 625 A N 7.339 130.558 122.820 0.664 0.000 2.288 625 A HA 0.920 5.238 4.320 -0.004 0.000 0.328 625 A C -0.838 177.077 177.584 0.552 0.000 1.123 625 A CA -0.636 51.725 52.037 0.540 0.000 0.861 625 A CB 1.868 21.027 19.000 0.265 0.000 1.272 625 A HN 0.746 nan 8.150 nan 0.000 0.490 626 I N 0.206 121.000 120.570 0.372 0.000 2.752 626 I HA 0.686 4.854 4.170 -0.004 0.000 0.295 626 I C -2.021 174.326 176.117 0.383 0.000 1.219 626 I CA -0.611 60.832 61.300 0.239 0.000 1.030 626 I CB 1.738 39.553 38.000 -0.308 0.000 1.259 626 I HN 0.953 nan 8.210 nan 0.000 0.423 627 W N 6.855 128.261 121.300 0.177 0.000 3.248 627 W HA 0.820 5.478 4.660 -0.004 0.000 0.311 627 W C -1.618 175.041 176.519 0.233 0.000 1.258 627 W CA -0.952 56.520 57.345 0.212 0.000 1.191 627 W CB 0.996 30.639 29.460 0.304 0.000 1.389 627 W HN 0.846 nan 8.180 nan 0.000 0.561 628 G N 1.079 109.793 108.800 -0.143 0.000 2.632 628 G HA2 0.495 4.452 3.960 -0.004 0.000 0.292 628 G HA3 0.495 4.452 3.960 -0.004 0.000 0.292 628 G C -2.781 172.061 174.900 -0.098 0.000 1.465 628 G CA -0.684 44.197 45.100 -0.365 0.000 0.824 628 G HN 0.618 nan 8.290 nan 0.000 0.509 629 W N 1.017 122.162 121.300 -0.259 0.000 2.761 629 W HA 0.636 5.294 4.660 -0.004 0.000 0.340 629 W C 0.819 177.331 176.519 -0.013 0.000 1.072 629 W CA 0.324 57.613 57.345 -0.093 0.000 1.215 629 W CB 1.930 31.354 29.460 -0.060 0.000 1.420 629 W HN 1.204 nan 8.180 nan 0.000 0.519 630 S N 2.123 118.099 115.700 0.459 0.000 4.116 630 S HA -0.425 4.043 4.470 -0.004 0.000 0.623 630 S C 1.074 175.716 174.600 0.070 0.000 1.933 630 S CA 1.811 60.254 58.200 0.405 0.000 4.224 630 S CB -1.833 61.755 63.200 0.646 0.000 0.208 630 S HN 0.733 nan 8.310 nan 0.000 0.527 631 Y N 2.510 122.641 120.300 -0.283 0.000 2.333 631 Y HA 0.088 4.636 4.550 -0.004 0.000 0.290 631 Y C 2.312 177.998 175.900 -0.356 0.000 1.144 631 Y CA 2.314 60.188 58.100 -0.376 0.000 1.228 631 Y CB -0.982 37.126 38.460 -0.588 0.000 0.985 631 Y HN 0.513 nan 8.280 nan 0.000 0.542 632 G N -0.894 107.701 108.800 -0.342 0.000 2.422 632 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.218 632 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.218 632 G C 1.927 176.804 174.900 -0.037 0.000 1.146 632 G CA 0.755 45.781 45.100 -0.124 0.000 0.769 632 G HN 0.555 nan 8.290 nan 0.000 0.547 633 G N -0.171 108.624 108.800 -0.008 0.000 2.402 633 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.216 633 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.216 633 G C 1.599 176.512 174.900 0.021 0.000 1.162 633 G CA 1.102 46.212 45.100 0.015 0.000 0.777 633 G HN 0.417 nan 8.290 nan 0.000 0.539 634 Y N 1.515 121.700 120.300 -0.191 0.000 2.070 634 Y HA -0.152 4.396 4.550 -0.004 0.000 0.280 634 Y C 2.773 178.579 175.900 -0.157 0.000 1.148 634 Y CA 1.734 59.677 58.100 -0.261 0.000 1.125 634 Y CB -0.649 37.500 38.460 -0.518 0.000 0.975 634 Y HN 0.019 nan 8.280 nan 0.000 0.492 635 V N -0.032 119.729 119.914 -0.255 0.000 2.392 635 V HA -0.350 3.768 4.120 -0.004 0.000 0.249 635 V C 2.343 178.321 176.094 -0.194 0.000 1.059 635 V CA 2.457 64.603 62.300 -0.257 0.000 1.051 635 V CB -1.202 30.638 31.823 0.028 0.000 0.658 635 V HN 0.534 nan 8.190 nan 0.000 0.455 636 T N -0.299 114.195 114.554 -0.101 0.000 2.708 636 T HA -0.181 4.167 4.350 -0.004 0.000 0.266 636 T C 2.151 176.813 174.700 -0.063 0.000 1.037 636 T CA 1.934 63.994 62.100 -0.067 0.000 1.146 636 T CB -0.253 68.645 68.868 0.050 0.000 0.865 636 T HN 0.535 nan 8.240 nan 0.000 0.435 637 S N 1.268 116.968 115.700 0.000 0.000 2.356 637 S HA -0.043 4.425 4.470 -0.004 0.000 0.223 637 S C 2.157 176.714 174.600 -0.072 0.000 1.032 637 S CA 1.009 59.251 58.200 0.070 0.000 1.005 637 S CB -0.318 62.951 63.200 0.115 0.000 0.867 637 S HN 0.319 nan 8.310 nan 0.000 0.449 638 M N 0.927 120.383 119.600 -0.240 0.000 2.149 638 M HA -0.047 4.431 4.480 -0.004 0.000 0.261 638 M C 2.170 178.330 176.300 -0.233 0.000 1.064 638 M CA 1.099 56.232 55.300 -0.278 0.000 1.102 638 M CB -1.289 31.023 32.600 -0.480 0.000 1.369 638 M HN 0.190 nan 8.290 nan 0.000 0.408 639 V N 0.246 120.018 119.914 -0.236 0.000 2.379 639 V HA -0.197 3.921 4.120 -0.004 0.000 0.245 639 V C 2.420 178.353 176.094 -0.268 0.000 1.044 639 V CA 1.136 63.303 62.300 -0.221 0.000 1.036 639 V CB -0.523 31.122 31.823 -0.296 0.000 0.664 639 V HN 0.397 nan 8.190 nan 0.000 0.453 640 L N 0.435 121.444 121.223 -0.357 0.000 2.275 640 L HA -0.021 4.317 4.340 -0.004 0.000 0.215 640 L C 2.063 178.405 176.870 -0.880 0.000 1.119 640 L CA 1.380 55.919 54.840 -0.502 0.000 0.790 640 L CB -0.526 41.251 42.059 -0.471 0.000 0.919 640 L HN 0.483 nan 8.230 nan 0.000 0.443 641 G N -1.674 106.617 108.800 -0.849 0.000 3.502 641 G HA2 0.010 3.968 3.960 -0.004 0.000 0.267 641 G HA3 0.010 3.968 3.960 -0.004 0.000 0.267 641 G C 1.312 176.032 174.900 -0.301 0.000 1.090 641 G CA 0.502 45.147 45.100 -0.758 0.000 0.795 641 G HN 0.381 nan 8.290 nan 0.000 0.535 642 S N -0.809 114.756 115.700 -0.225 0.000 2.496 642 S HA 0.310 4.778 4.470 -0.004 0.000 0.224 642 S C 1.887 176.438 174.600 -0.083 0.000 0.996 642 S CA 0.898 59.029 58.200 -0.115 0.000 0.927 642 S CB 0.011 63.166 63.200 -0.076 0.000 0.774 642 S HN 1.352 nan 8.310 nan 0.000 0.524 643 G N 1.549 110.289 108.800 -0.101 0.000 2.147 643 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.244 643 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.244 643 G C 0.885 175.766 174.900 -0.031 0.000 1.005 643 G CA 0.800 45.863 45.100 -0.062 0.000 0.713 643 G HN 1.211 nan 8.290 nan 0.000 0.515 644 S N -0.524 115.168 115.700 -0.013 0.000 2.481 644 S HA 0.311 4.779 4.470 -0.004 0.000 0.231 644 S C 2.573 177.168 174.600 -0.008 0.000 0.996 644 S CA 1.624 59.826 58.200 0.004 0.000 0.942 644 S CB -0.234 62.993 63.200 0.045 0.000 0.768 644 S HN 2.396 nan 8.310 nan 0.000 0.520 645 G N 0.247 109.048 108.800 0.001 0.000 2.228 645 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.270 645 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.270 645 G C 0.875 175.749 174.900 -0.043 0.000 0.976 645 G CA 0.582 45.675 45.100 -0.011 0.000 0.636 645 G HN 0.723 nan 8.290 nan 0.000 0.542 646 V N -0.413 119.449 119.914 -0.087 0.000 2.427 646 V HA 0.185 4.303 4.120 -0.004 0.000 0.248 646 V C 1.368 177.194 176.094 -0.447 0.000 1.051 646 V CA 1.687 63.801 62.300 -0.309 0.000 1.048 646 V CB -0.419 31.111 31.823 -0.488 0.000 0.666 646 V HN 0.315 nan 8.190 nan 0.000 0.456 647 F N -0.153 119.816 119.950 0.032 0.000 2.422 647 F HA 0.388 4.912 4.527 -0.004 0.000 0.333 647 F C 1.135 176.982 175.800 0.079 0.000 1.095 647 F CA -0.477 57.569 58.000 0.075 0.000 1.038 647 F CB 1.322 40.370 39.000 0.081 0.000 1.156 647 F HN -0.248 nan 8.300 nan 0.000 0.483 648 K N 1.440 122.006 120.400 0.277 0.000 2.128 648 K HA 0.114 4.432 4.320 -0.004 0.000 0.202 648 K C -0.152 176.576 176.600 0.214 0.000 1.050 648 K CA 0.888 57.298 56.287 0.204 0.000 0.966 648 K CB 0.258 32.873 32.500 0.192 0.000 0.759 648 K HN 0.793 nan 8.250 nan 0.000 0.454 649 c N -2.351 116.408 118.600 0.265 0.000 3.288 649 c HA 0.891 5.459 4.570 -0.004 0.000 0.318 649 c C -0.227 174.087 174.090 0.374 0.000 1.356 649 c CA -0.694 55.817 56.329 0.303 0.000 1.359 649 c CB 1.107 43.715 42.510 0.163 0.000 1.688 649 c HN 0.347 nan 8.230 nan 0.000 0.467 650 G N 0.148 109.243 108.800 0.491 0.000 2.698 650 G HA2 0.731 4.688 3.960 -0.004 0.000 0.293 650 G HA3 0.731 4.688 3.960 -0.004 0.000 0.293 650 G C -1.925 173.222 174.900 0.412 0.000 1.437 650 G CA -0.704 44.655 45.100 0.433 0.000 0.852 650 G HN 0.968 nan 8.290 nan 0.000 0.499 651 I N 0.844 121.622 120.570 0.347 0.000 2.436 651 I HA 0.622 4.790 4.170 -0.004 0.000 0.289 651 I C 0.161 176.412 176.117 0.224 0.000 1.010 651 I CA -0.920 60.474 61.300 0.155 0.000 1.098 651 I CB 2.245 40.342 38.000 0.160 0.000 1.266 651 I HN 0.630 nan 8.210 nan 0.000 0.434 652 A N 6.470 129.304 122.820 0.023 0.000 2.319 652 A HA 0.793 5.111 4.320 -0.004 0.000 0.310 652 A C -0.851 176.654 177.584 -0.131 0.000 1.152 652 A CA -0.513 51.544 52.037 0.034 0.000 0.783 652 A CB 1.228 20.301 19.000 0.122 0.000 1.184 652 A HN 0.432 nan 8.150 nan 0.000 0.474 653 V N 1.971 121.764 119.914 -0.201 0.000 2.417 653 V HA 0.592 4.710 4.120 -0.004 0.000 0.291 653 V C 0.931 176.649 176.094 -0.627 0.000 1.024 653 V CA 0.310 62.279 62.300 -0.553 0.000 0.861 653 V CB 0.953 32.132 31.823 -1.073 0.000 0.985 653 V HN 2.150 nan 8.190 nan 0.000 0.436 654 A N 5.424 127.845 122.820 -0.664 0.000 2.415 654 A HA -0.104 4.214 4.320 -0.004 0.000 0.292 654 A C -1.790 175.634 177.584 -0.267 0.000 1.452 654 A CA 0.529 52.089 52.037 -0.795 0.000 0.750 654 A CB -1.574 17.146 19.000 -0.466 0.000 1.099 654 A HN 0.611 nan 8.150 nan 0.000 0.391 655 P HA 0.480 nan 4.420 nan 0.000 0.278 655 P C 0.074 177.325 177.300 -0.082 0.000 1.258 655 P CA -0.370 62.694 63.100 -0.061 0.000 0.811 655 P CB 1.402 33.094 31.700 -0.014 0.000 1.063 656 V N 1.641 121.410 119.914 -0.242 0.000 2.607 656 V HA 0.126 4.244 4.120 -0.004 0.000 0.289 656 V C 1.688 177.566 176.094 -0.359 0.000 1.053 656 V CA 0.735 62.741 62.300 -0.490 0.000 0.996 656 V CB 0.938 32.038 31.823 -1.206 0.000 0.995 656 V HN 0.837 nan 8.190 nan 0.000 0.476 657 S N 3.635 119.154 115.700 -0.303 0.000 2.575 657 S HA 0.243 4.710 4.470 -0.004 0.000 0.230 657 S C 0.465 174.867 174.600 -0.331 0.000 1.062 657 S CA -0.303 57.788 58.200 -0.181 0.000 0.913 657 S CB 0.310 63.479 63.200 -0.051 0.000 0.837 657 S HN 0.845 nan 8.310 nan 0.000 0.487 658 R N -1.167 118.998 120.500 -0.559 0.000 2.535 658 R HA 0.453 4.791 4.340 -0.004 0.000 0.274 658 R C -0.899 175.035 176.300 -0.610 0.000 1.090 658 R CA -0.830 54.893 56.100 -0.628 0.000 0.930 658 R CB -0.275 29.602 30.300 -0.706 0.000 1.223 658 R HN 0.124 nan 8.270 nan 0.000 0.441 659 W N 1.584 122.776 121.300 -0.179 0.000 2.364 659 W HA -0.069 4.589 4.660 -0.004 0.000 0.281 659 W C 1.108 177.746 176.519 0.198 0.000 1.219 659 W CA 1.049 58.391 57.345 -0.005 0.000 1.220 659 W CB 0.190 29.592 29.460 -0.096 0.000 1.127 659 W HN 0.729 nan 8.180 nan 0.000 0.556 660 E N -1.056 119.301 120.200 0.261 0.000 2.409 660 E HA -0.185 4.163 4.350 -0.004 0.000 0.198 660 E C 1.287 178.032 176.600 0.242 0.000 1.024 660 E CA 0.734 57.244 56.400 0.184 0.000 0.861 660 E CB -0.213 29.494 29.700 0.012 0.000 0.788 660 E HN 0.366 nan 8.360 nan 0.000 0.521 661 Y N -1.464 118.913 120.300 0.128 0.000 2.517 661 Y HA 0.052 4.600 4.550 -0.004 0.000 0.281 661 Y C 0.712 176.680 175.900 0.113 0.000 1.125 661 Y CA -0.288 57.855 58.100 0.071 0.000 1.283 661 Y CB -0.411 38.039 38.460 -0.017 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.958 122.394 120.300 0.227 0.000 2.334 662 Y HA 0.271 4.819 4.550 -0.004 0.000 0.325 662 Y C 0.388 176.504 175.900 0.360 0.000 1.308 662 Y CA -2.008 56.236 58.100 0.240 0.000 1.389 662 Y CB 0.324 38.954 38.460 0.284 0.000 1.328 662 Y HN 0.189 nan 8.280 nan 0.000 0.532 663 D N -0.526 119.563 120.400 -0.519 0.000 2.368 663 D HA 0.089 4.727 4.640 -0.004 0.000 0.240 663 D C 0.968 177.268 176.300 -0.000 0.000 1.169 663 D CA 0.382 54.213 54.000 -0.283 0.000 0.906 663 D CB 0.827 41.233 40.800 -0.656 0.000 1.187 663 D HN 0.485 nan 8.370 nan 0.000 0.435 664 S N 1.124 116.831 115.700 0.011 0.000 2.351 664 S HA -0.238 4.230 4.470 -0.004 0.000 0.220 664 S C 1.996 176.633 174.600 0.061 0.000 1.035 664 S CA 1.278 59.530 58.200 0.087 0.000 1.031 664 S CB -1.157 62.099 63.200 0.092 0.000 0.928 664 S HN 0.443 nan 8.310 nan 0.000 0.433 665 V N 1.015 120.898 119.914 -0.052 0.000 2.278 665 V HA -0.232 3.886 4.120 -0.004 0.000 0.251 665 V C 2.346 178.364 176.094 -0.127 0.000 1.062 665 V CA 2.493 64.667 62.300 -0.209 0.000 1.038 665 V CB -1.174 30.366 31.823 -0.472 0.000 0.646 665 V HN 0.630 nan 8.190 nan 0.000 0.447 666 Y N 1.124 121.374 120.300 -0.084 0.000 2.176 666 Y HA -0.165 4.383 4.550 -0.003 0.000 0.291 666 Y C 2.720 178.642 175.900 0.037 0.000 1.122 666 Y CA 2.123 60.244 58.100 0.036 0.000 1.128 666 Y CB -0.634 38.040 38.460 0.356 0.000 1.005 666 Y HN 0.213 nan 8.280 nan 0.000 0.509 667 T N 0.533 115.363 114.554 0.461 0.000 2.652 667 T HA -0.214 4.134 4.350 -0.004 0.000 0.267 667 T C 1.575 176.288 174.700 0.021 0.000 1.039 667 T CA 2.034 64.327 62.100 0.322 0.000 1.153 667 T CB -0.342 68.843 68.868 0.529 0.000 0.863 667 T HN 0.438 nan 8.240 nan 0.000 0.428 668 E N 0.516 120.752 120.200 0.060 0.000 2.204 668 E HA -0.113 4.235 4.350 -0.004 0.000 0.195 668 E C 2.339 178.840 176.600 -0.166 0.000 0.990 668 E CA 0.540 56.958 56.400 0.030 0.000 0.821 668 E CB -0.131 29.628 29.700 0.098 0.000 0.750 668 E HN 0.337 nan 8.360 nan 0.000 0.477 669 R N 0.152 120.401 120.500 -0.418 0.000 2.103 669 R HA -0.203 4.135 4.340 -0.004 0.000 0.242 669 R C 1.320 177.119 176.300 -0.835 0.000 1.142 669 R CA 1.691 57.356 56.100 -0.726 0.000 0.960 669 R CB -0.053 29.493 30.300 -1.257 0.000 0.858 669 R HN 0.237 nan 8.270 nan 0.000 0.439 670 Y N -2.098 117.912 120.300 -0.484 0.000 2.507 670 Y HA 0.222 4.770 4.550 -0.004 0.000 0.263 670 Y C 1.644 177.386 175.900 -0.264 0.000 1.093 670 Y CA 0.041 57.869 58.100 -0.453 0.000 1.285 670 Y CB 0.432 38.499 38.460 -0.655 0.000 1.115 670 Y HN -0.025 nan 8.280 nan 0.000 0.533 671 M N -0.338 119.164 119.600 -0.163 0.000 2.333 671 M HA 0.358 4.836 4.480 -0.004 0.000 0.257 671 M C 1.106 177.424 176.300 0.030 0.000 1.078 671 M CA 0.707 55.902 55.300 -0.175 0.000 1.005 671 M CB -0.367 31.909 32.600 -0.539 0.000 1.444 671 M HN 0.340 nan 8.290 nan 0.000 0.496 672 G N 2.039 110.875 108.800 0.061 0.000 2.601 672 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.261 672 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.261 672 G C -0.442 174.608 174.900 0.250 0.000 1.289 672 G CA -0.650 44.526 45.100 0.126 0.000 0.920 672 G HN 0.375 nan 8.290 nan 0.000 0.571 673 L N 2.033 123.373 121.223 0.195 0.000 2.334 673 L HA 0.426 4.764 4.340 -0.004 0.000 0.277 673 L C -1.306 175.598 176.870 0.057 0.000 1.075 673 L CA -1.754 53.164 54.840 0.130 0.000 0.804 673 L CB 1.888 43.976 42.059 0.049 0.000 1.174 673 L HN 0.462 nan 8.230 nan 0.000 0.438 674 P HA 0.040 nan 4.420 nan 0.000 0.237 674 P C -0.401 176.765 177.300 -0.223 0.000 1.723 674 P CA -0.071 62.638 63.100 -0.653 0.000 0.882 674 P CB -0.515 30.487 31.700 -1.164 0.000 1.810 675 T N -3.332 111.179 114.554 -0.072 0.000 2.932 675 T HA 0.441 4.789 4.350 -0.004 0.000 0.289 675 T C -1.874 172.832 174.700 0.011 0.000 1.039 675 T CA -2.381 59.701 62.100 -0.030 0.000 1.024 675 T CB 1.952 70.811 68.868 -0.014 0.000 1.090 675 T HN -0.209 nan 8.240 nan 0.000 0.496 676 P HA -0.069 nan 4.420 nan 0.000 0.218 676 P C 0.709 178.028 177.300 0.032 0.000 1.149 676 P CA 1.146 64.262 63.100 0.026 0.000 0.817 676 P CB 0.129 31.840 31.700 0.018 0.000 0.785 677 E N -0.830 119.385 120.200 0.025 0.000 2.427 677 E HA -0.064 4.284 4.350 -0.004 0.000 0.196 677 E C 1.422 178.043 176.600 0.035 0.000 1.028 677 E CA 0.614 57.029 56.400 0.025 0.000 0.864 677 E CB -0.267 29.443 29.700 0.016 0.000 0.813 677 E HN 0.337 nan 8.360 nan 0.000 0.514 678 D N -0.591 119.838 120.400 0.049 0.000 3.168 678 D HA 0.066 4.704 4.640 -0.004 0.000 0.219 678 D C 0.184 176.545 176.300 0.101 0.000 1.310 678 D CA -0.012 54.029 54.000 0.069 0.000 1.348 678 D CB 0.039 40.883 40.800 0.074 0.000 0.925 678 D HN -0.063 nan 8.370 nan 0.000 0.185 679 N N 0.215 119.011 118.700 0.160 0.000 2.291 679 N HA 0.081 4.819 4.740 -0.004 0.000 0.244 679 N C 1.114 176.818 175.510 0.323 0.000 1.216 679 N CA -0.101 53.085 53.050 0.226 0.000 0.879 679 N CB 0.123 38.756 38.487 0.243 0.000 1.167 679 N HN 0.107 nan 8.380 nan 0.000 0.515 680 L N 0.467 121.815 121.223 0.208 0.000 2.043 680 L HA -0.132 4.206 4.340 -0.004 0.000 0.212 680 L C 1.239 178.222 176.870 0.188 0.000 1.075 680 L CA 1.987 56.927 54.840 0.167 0.000 0.752 680 L CB -0.522 41.567 42.059 0.050 0.000 0.891 680 L HN 0.159 nan 8.230 nan 0.000 0.432 681 D N -1.420 119.070 120.400 0.150 0.000 2.123 681 D HA -0.259 4.379 4.640 -0.004 0.000 0.196 681 D C 2.058 178.451 176.300 0.156 0.000 0.992 681 D CA 1.749 55.826 54.000 0.128 0.000 0.833 681 D CB -0.175 40.689 40.800 0.107 0.000 0.954 681 D HN 0.585 nan 8.370 nan 0.000 0.455 682 H N -0.886 118.253 119.070 0.113 0.000 2.462 682 H HA -0.049 4.504 4.556 -0.004 0.000 0.292 682 H C 1.670 177.066 175.328 0.113 0.000 1.049 682 H CA 1.105 57.200 56.048 0.077 0.000 1.334 682 H CB -0.246 29.527 29.762 0.019 0.000 1.404 682 H HN 0.152 nan 8.280 nan 0.000 0.544 683 Y N 0.197 120.466 120.300 -0.051 0.000 2.181 683 Y HA -0.143 4.405 4.550 -0.004 0.000 0.288 683 Y C 2.272 178.129 175.900 -0.072 0.000 1.146 683 Y CA 1.339 59.419 58.100 -0.035 0.000 1.164 683 Y CB 0.168 38.650 38.460 0.036 0.000 0.982 683 Y HN 0.095 nan 8.280 nan 0.000 0.515 684 R N -0.190 120.381 120.500 0.118 0.000 2.236 684 R HA -0.066 4.272 4.340 -0.004 0.000 0.208 684 R C 1.289 177.586 176.300 -0.006 0.000 1.036 684 R CA 0.649 56.773 56.100 0.040 0.000 1.001 684 R CB -0.803 29.522 30.300 0.042 0.000 0.896 684 R HN 0.500 nan 8.270 nan 0.000 0.464 685 N N 0.520 119.194 118.700 -0.044 0.000 2.299 685 N HA -0.046 4.692 4.740 -0.004 0.000 0.187 685 N C 0.111 175.572 175.510 -0.082 0.000 1.099 685 N CA 0.236 53.261 53.050 -0.041 0.000 0.867 685 N CB 0.429 38.927 38.487 0.018 0.000 0.974 685 N HN 0.069 nan 8.380 nan 0.000 0.477 686 S N -0.248 115.359 115.700 -0.155 0.000 2.574 686 S HA 0.064 4.532 4.470 -0.004 0.000 0.242 686 S C 0.522 175.169 174.600 0.078 0.000 0.982 686 S CA -0.745 57.427 58.200 -0.046 0.000 0.977 686 S CB -0.080 63.047 63.200 -0.121 0.000 0.814 686 S HN 0.171 nan 8.310 nan 0.000 0.464 687 T N -1.466 113.089 114.554 0.002 0.000 2.899 687 T HA 0.512 4.859 4.350 -0.004 0.000 0.284 687 T C 1.316 176.015 174.700 -0.001 0.000 1.004 687 T CA -0.583 61.503 62.100 -0.024 0.000 1.043 687 T CB 1.259 70.076 68.868 -0.084 0.000 1.013 687 T HN -0.039 nan 8.240 nan 0.000 0.518 688 V N 1.549 121.456 119.914 -0.011 0.000 2.407 688 V HA -0.095 4.023 4.120 -0.004 0.000 0.245 688 V C 2.683 178.753 176.094 -0.039 0.000 1.041 688 V CA 1.483 63.773 62.300 -0.016 0.000 1.040 688 V CB -0.945 30.858 31.823 -0.034 0.000 0.671 688 V HN 0.817 nan 8.190 nan 0.000 0.455 689 M N 1.395 120.951 119.600 -0.074 0.000 2.143 689 M HA -0.189 4.289 4.480 -0.004 0.000 0.258 689 M C 2.284 178.558 176.300 -0.044 0.000 1.071 689 M CA 2.221 57.471 55.300 -0.083 0.000 1.088 689 M CB -1.010 31.550 32.600 -0.067 0.000 1.360 689 M HN 0.541 nan 8.290 nan 0.000 0.404 690 S N -0.657 115.029 115.700 -0.022 0.000 2.507 690 S HA -0.054 4.414 4.470 -0.004 0.000 0.235 690 S C 1.756 176.364 174.600 0.015 0.000 0.988 690 S CA 0.632 58.829 58.200 -0.005 0.000 0.944 690 S CB -0.343 62.854 63.200 -0.005 0.000 0.762 690 S HN 0.519 nan 8.310 nan 0.000 0.526 691 R N 0.384 120.908 120.500 0.040 0.000 2.393 691 R HA 0.489 4.827 4.340 -0.004 0.000 0.244 691 R C 2.158 178.573 176.300 0.192 0.000 0.920 691 R CA 0.445 56.596 56.100 0.084 0.000 1.076 691 R CB -0.238 30.105 30.300 0.072 0.000 1.119 691 R HN 0.443 nan 8.270 nan 0.000 0.524 692 A N 1.534 124.417 122.820 0.105 0.000 1.915 692 A HA -0.328 3.990 4.320 -0.004 0.000 0.220 692 A C 2.038 179.715 177.584 0.155 0.000 1.198 692 A CA 2.157 54.229 52.037 0.058 0.000 0.647 692 A CB -0.353 18.608 19.000 -0.064 0.000 0.825 692 A HN 0.319 nan 8.150 nan 0.000 0.456 693 E N 0.513 120.771 120.200 0.096 0.000 2.118 693 E HA -0.184 4.164 4.350 -0.004 0.000 0.195 693 E C 1.575 178.227 176.600 0.087 0.000 0.992 693 E CA 1.684 58.131 56.400 0.079 0.000 0.804 693 E CB -0.283 29.444 29.700 0.045 0.000 0.741 693 E HN 0.615 nan 8.360 nan 0.000 0.458 694 N N -0.506 118.236 118.700 0.070 0.000 2.512 694 N HA -0.084 4.654 4.740 -0.004 0.000 0.183 694 N C 0.789 176.256 175.510 -0.072 0.000 1.073 694 N CA 0.428 53.465 53.050 -0.021 0.000 0.911 694 N CB -0.209 38.218 38.487 -0.099 0.000 0.964 694 N HN 0.243 nan 8.380 nan 0.000 0.447 695 F N 1.370 121.274 119.950 -0.076 0.000 2.641 695 F HA 0.019 4.544 4.527 -0.004 0.000 0.298 695 F C 1.979 177.778 175.800 -0.001 0.000 1.146 695 F CA 0.622 58.569 58.000 -0.087 0.000 1.464 695 F CB 0.141 39.035 39.000 -0.177 0.000 1.101 695 F HN -0.057 nan 8.300 nan 0.000 0.585 696 K N -0.063 120.424 120.400 0.144 0.000 2.283 696 K HA -0.164 4.153 4.320 -0.004 0.000 0.202 696 K C 1.658 178.312 176.600 0.089 0.000 1.048 696 K CA 0.992 57.351 56.287 0.120 0.000 0.948 696 K CB -0.141 32.412 32.500 0.088 0.000 0.742 696 K HN 0.398 nan 8.250 nan 0.000 0.458 697 Q N 0.293 120.121 119.800 0.046 0.000 2.451 697 Q HA -0.004 4.334 4.340 -0.004 0.000 0.206 697 Q C 0.467 176.499 176.000 0.053 0.000 0.947 697 Q CA 0.288 56.111 55.803 0.033 0.000 0.937 697 Q CB 0.408 29.144 28.738 -0.004 0.000 1.025 697 Q HN 0.152 nan 8.270 nan 0.000 0.511 698 V N -3.590 116.371 119.914 0.078 0.000 3.167 698 V HA 0.466 4.584 4.120 -0.004 0.000 0.310 698 V C -1.304 174.931 176.094 0.235 0.000 1.207 698 V CA -1.294 61.084 62.300 0.130 0.000 1.059 698 V CB 2.314 34.185 31.823 0.082 0.000 1.079 698 V HN -0.082 nan 8.190 nan 0.000 0.446 699 E N 1.070 121.445 120.200 0.292 0.000 2.134 699 E HA 0.465 4.813 4.350 -0.004 0.000 0.278 699 E C -1.954 175.030 176.600 0.640 0.000 0.959 699 E CA -0.377 56.276 56.400 0.422 0.000 0.783 699 E CB 1.790 31.676 29.700 0.311 0.000 1.095 699 E HN 0.667 nan 8.360 nan 0.000 0.399 700 Y N 3.430 123.990 120.300 0.433 0.000 2.429 700 Y HA 0.475 5.023 4.550 -0.003 0.000 0.342 700 Y C -1.574 174.374 175.900 0.080 0.000 1.004 700 Y CA -1.448 56.836 58.100 0.307 0.000 1.075 700 Y CB 1.113 39.791 38.460 0.362 0.000 1.214 700 Y HN 0.396 nan 8.280 nan 0.000 0.455 701 L N 7.562 128.467 121.223 -0.530 0.000 2.372 701 L HA 0.576 4.914 4.340 -0.004 0.000 0.274 701 L C -2.265 174.153 176.870 -0.753 0.000 0.988 701 L CA -0.850 53.562 54.840 -0.713 0.000 0.833 701 L CB 1.310 42.669 42.059 -1.167 0.000 1.236 701 L HN 0.635 nan 8.230 nan 0.000 0.410 702 L N 6.515 127.391 121.223 -0.579 0.000 2.296 702 L HA 0.712 5.049 4.340 -0.004 0.000 0.286 702 L C -1.093 175.653 176.870 -0.207 0.000 1.023 702 L CA 0.029 54.586 54.840 -0.471 0.000 0.812 702 L CB 1.177 43.023 42.059 -0.355 0.000 1.223 702 L HN 0.609 nan 8.230 nan 0.000 0.421 703 I N 4.428 124.889 120.570 -0.182 0.000 2.582 703 I HA 0.466 4.634 4.170 -0.004 0.000 0.292 703 I C -1.206 174.896 176.117 -0.025 0.000 1.066 703 I CA -0.695 60.550 61.300 -0.092 0.000 1.053 703 I CB 2.105 40.012 38.000 -0.155 0.000 1.241 703 I HN 0.674 nan 8.210 nan 0.000 0.421 704 H N 2.226 121.327 119.070 0.052 0.000 3.123 704 H HA 0.468 5.022 4.556 -0.004 0.000 0.346 704 H C -0.385 175.150 175.328 0.346 0.000 1.138 704 H CA -0.639 55.486 56.048 0.128 0.000 1.273 704 H CB 1.945 31.726 29.762 0.032 0.000 1.926 704 H HN 0.753 nan 8.280 nan 0.000 0.524 705 G N 0.977 110.117 108.800 0.567 0.000 2.403 705 G HA2 0.203 4.161 3.960 -0.004 0.000 0.259 705 G HA3 0.203 4.161 3.960 -0.004 0.000 0.259 705 G C 1.163 176.346 174.900 0.472 0.000 1.244 705 G CA 0.162 45.555 45.100 0.488 0.000 0.849 705 G HN 0.746 nan 8.290 nan 0.000 0.532 706 T N -0.701 114.007 114.554 0.256 0.000 2.951 706 T HA 0.075 4.423 4.350 -0.004 0.000 0.268 706 T C 1.787 176.477 174.700 -0.016 0.000 1.073 706 T CA 1.295 63.386 62.100 -0.016 0.000 1.134 706 T CB 0.129 68.911 68.868 -0.143 0.000 0.884 706 T HN 0.678 nan 8.240 nan 0.000 0.479 707 A N 1.106 123.982 122.820 0.094 0.000 2.577 707 A HA 0.290 4.608 4.320 -0.004 0.000 0.280 707 A C 0.493 178.042 177.584 -0.059 0.000 1.331 707 A CA -0.470 51.585 52.037 0.030 0.000 0.935 707 A CB -0.393 18.892 19.000 0.475 0.000 1.082 707 A HN 0.391 nan 8.150 nan 0.000 0.525 708 D N 1.560 121.963 120.400 0.005 0.000 2.342 708 D HA -0.019 4.619 4.640 -0.004 0.000 0.260 708 D C 0.399 176.678 176.300 -0.035 0.000 1.278 708 D CA 0.206 54.305 54.000 0.165 0.000 0.910 708 D CB 0.613 41.664 40.800 0.418 0.000 1.079 708 D HN 0.585 nan 8.370 nan 0.000 0.496 709 D N 2.352 122.778 120.400 0.044 0.000 2.333 709 D HA -0.138 4.500 4.640 -0.004 0.000 0.208 709 D C 1.029 177.318 176.300 -0.018 0.000 0.984 709 D CA -0.120 53.860 54.000 -0.034 0.000 0.873 709 D CB 0.387 41.150 40.800 -0.062 0.000 0.935 709 D HN 0.219 nan 8.370 nan 0.000 0.521 710 N N 1.086 119.880 118.700 0.156 0.000 2.255 710 N HA -0.069 4.669 4.740 -0.004 0.000 0.192 710 N C 0.012 175.467 175.510 -0.093 0.000 1.049 710 N CA 0.611 53.789 53.050 0.214 0.000 0.886 710 N CB 0.131 38.754 38.487 0.228 0.000 1.064 710 N HN -0.097 nan 8.380 nan 0.000 0.457 711 V N 3.648 123.491 119.914 -0.119 0.000 2.320 711 V HA 0.174 4.292 4.120 -0.004 0.000 0.265 711 V C -0.585 175.553 176.094 0.073 0.000 1.048 711 V CA -0.648 61.612 62.300 -0.067 0.000 0.865 711 V CB 0.059 31.848 31.823 -0.057 0.000 1.043 711 V HN 0.333 nan 8.190 nan 0.000 0.474 712 H N 3.694 122.749 119.070 -0.025 0.000 2.897 712 H HA -0.006 4.548 4.556 -0.004 0.000 0.347 712 H C 0.860 176.057 175.328 -0.218 0.000 1.068 712 H CA -0.221 55.738 56.048 -0.149 0.000 1.426 712 H CB 0.487 30.077 29.762 -0.286 0.000 1.410 712 H HN 0.641 nan 8.280 nan 0.000 0.597 713 F N 2.089 121.829 119.950 -0.350 0.000 2.192 713 F HA -0.282 4.243 4.527 -0.003 0.000 0.301 713 F C 2.557 178.080 175.800 -0.462 0.000 1.079 713 F CA 1.858 59.415 58.000 -0.739 0.000 1.303 713 F CB -0.062 38.701 39.000 -0.395 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.239 119.927 119.800 -0.187 0.000 2.197 714 Q HA -0.325 4.013 4.340 -0.004 0.000 0.211 714 Q C 2.034 177.829 176.000 -0.341 0.000 0.993 714 Q CA 2.365 58.012 55.803 -0.259 0.000 0.883 714 Q CB -0.377 28.171 28.738 -0.317 0.000 0.916 714 Q HN 0.616 nan 8.270 nan 0.000 0.418 715 Q N -0.440 119.204 119.800 -0.259 0.000 2.084 715 Q HA -0.098 4.240 4.340 -0.004 0.000 0.202 715 Q C 2.184 178.101 176.000 -0.138 0.000 0.978 715 Q CA 1.636 57.403 55.803 -0.060 0.000 0.844 715 Q CB 0.007 28.781 28.738 0.061 0.000 0.898 715 Q HN 0.326 nan 8.270 nan 0.000 0.426 716 S N 0.525 116.025 115.700 -0.333 0.000 2.446 716 S HA 0.045 4.513 4.470 -0.004 0.000 0.225 716 S C 1.963 176.318 174.600 -0.409 0.000 1.016 716 S CA 0.598 58.599 58.200 -0.331 0.000 0.943 716 S CB 0.045 63.028 63.200 -0.361 0.000 0.786 716 S HN 0.436 nan 8.310 nan 0.000 0.508 717 A N 1.256 123.751 122.820 -0.540 0.000 1.969 717 A HA -0.085 4.233 4.320 -0.004 0.000 0.218 717 A C 2.109 179.601 177.584 -0.153 0.000 1.169 717 A CA 1.007 52.859 52.037 -0.308 0.000 0.635 717 A CB -0.308 18.586 19.000 -0.177 0.000 0.810 717 A HN 0.326 nan 8.150 nan 0.000 0.445 718 Q N -0.545 119.174 119.800 -0.135 0.000 2.245 718 Q HA 0.060 4.398 4.340 -0.004 0.000 0.201 718 Q C 2.044 177.993 176.000 -0.085 0.000 0.955 718 Q CA 0.828 56.601 55.803 -0.049 0.000 0.870 718 Q CB -0.216 28.573 28.738 0.085 0.000 0.945 718 Q HN 0.774 nan 8.270 nan 0.000 0.461 719 I N 0.983 121.472 120.570 -0.135 0.000 2.202 719 I HA -0.256 3.912 4.170 -0.004 0.000 0.242 719 I C 2.512 178.458 176.117 -0.285 0.000 1.091 719 I CA 1.359 62.532 61.300 -0.213 0.000 1.368 719 I CB -0.363 37.511 38.000 -0.211 0.000 1.058 719 I HN 0.165 nan 8.210 nan 0.000 0.410 720 S N 0.938 116.501 115.700 -0.228 0.000 2.370 720 S HA -0.286 4.181 4.470 -0.004 0.000 0.226 720 S C 2.039 176.603 174.600 -0.060 0.000 1.033 720 S CA 1.539 59.638 58.200 -0.169 0.000 1.011 720 S CB -0.445 62.817 63.200 0.102 0.000 0.852 720 S HN 0.371 nan 8.310 nan 0.000 0.457 721 K N 1.732 122.104 120.400 -0.046 0.000 2.026 721 K HA 0.040 4.358 4.320 -0.004 0.000 0.208 721 K C 2.320 178.897 176.600 -0.039 0.000 1.048 721 K CA 1.192 57.470 56.287 -0.015 0.000 0.929 721 K CB -0.739 31.752 32.500 -0.015 0.000 0.713 721 K HN 0.439 nan 8.250 nan 0.000 0.439 722 A N 0.985 123.753 122.820 -0.086 0.000 1.972 722 A HA -0.109 4.209 4.320 -0.004 0.000 0.219 722 A C 2.072 179.589 177.584 -0.111 0.000 1.169 722 A CA 1.309 53.291 52.037 -0.092 0.000 0.635 722 A CB -0.552 18.379 19.000 -0.116 0.000 0.810 722 A HN 0.334 nan 8.150 nan 0.000 0.446 723 L N -0.871 120.237 121.223 -0.191 0.000 2.072 723 L HA -0.109 4.228 4.340 -0.004 0.000 0.205 723 L C 2.478 179.358 176.870 0.017 0.000 1.079 723 L CA 0.788 55.518 54.840 -0.182 0.000 0.752 723 L CB -0.542 41.220 42.059 -0.494 0.000 0.906 723 L HN 0.224 nan 8.230 nan 0.000 0.436 724 V N -0.142 119.819 119.914 0.079 0.000 2.343 724 V HA -0.281 3.837 4.120 -0.004 0.000 0.247 724 V C 2.047 178.179 176.094 0.065 0.000 1.051 724 V CA 1.830 64.204 62.300 0.124 0.000 1.036 724 V CB -0.509 31.387 31.823 0.123 0.000 0.654 724 V HN 0.412 nan 8.190 nan 0.000 0.451 725 D N 0.355 120.774 120.400 0.031 0.000 2.182 725 D HA -0.116 4.522 4.640 -0.004 0.000 0.201 725 D C 1.734 178.048 176.300 0.024 0.000 0.986 725 D CA 1.742 55.754 54.000 0.021 0.000 0.847 725 D CB -0.127 40.677 40.800 0.006 0.000 0.942 725 D HN 0.557 nan 8.370 nan 0.000 0.467 726 V N -3.686 116.242 119.914 0.024 0.000 3.444 726 V HA 0.530 4.648 4.120 -0.004 0.000 0.308 726 V C 1.153 177.277 176.094 0.049 0.000 1.371 726 V CA 0.243 62.562 62.300 0.031 0.000 1.141 726 V CB -0.060 31.779 31.823 0.026 0.000 1.037 726 V HN 0.156 nan 8.190 nan 0.000 0.433 727 G N 0.454 109.291 108.800 0.062 0.000 2.246 727 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.273 727 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.273 727 G C -0.081 174.883 174.900 0.106 0.000 1.055 727 G CA 0.225 45.371 45.100 0.078 0.000 0.851 727 G HN 0.895 nan 8.290 nan 0.000 0.500 728 V N 0.355 120.351 119.914 0.137 0.000 2.407 728 V HA 0.493 4.611 4.120 -0.004 0.000 0.278 728 V C 0.371 176.656 176.094 0.319 0.000 1.037 728 V CA -0.482 61.933 62.300 0.192 0.000 0.900 728 V CB 1.781 33.701 31.823 0.163 0.000 0.983 728 V HN 0.432 nan 8.190 nan 0.000 0.459 729 D N 3.928 124.493 120.400 0.275 0.000 2.255 729 D HA 0.635 5.273 4.640 -0.004 0.000 0.249 729 D C -0.630 175.913 176.300 0.405 0.000 1.078 729 D CA 0.033 54.187 54.000 0.257 0.000 0.896 729 D CB 0.918 41.795 40.800 0.129 0.000 1.194 729 D HN 0.348 nan 8.370 nan 0.000 0.429 730 F N -0.111 119.914 119.950 0.126 0.000 2.779 730 F HA 0.485 5.009 4.527 -0.004 0.000 0.316 730 F C -1.475 174.377 175.800 0.086 0.000 1.164 730 F CA -1.131 56.965 58.000 0.160 0.000 0.924 730 F CB 0.695 39.827 39.000 0.221 0.000 1.348 730 F HN 0.081 nan 8.300 nan 0.000 0.467 731 Q N 1.289 121.135 119.800 0.078 0.000 2.235 731 Q HA 0.814 5.151 4.340 -0.004 0.000 0.256 731 Q C -0.848 175.109 176.000 -0.073 0.000 0.951 731 Q CA -0.734 55.015 55.803 -0.089 0.000 0.890 731 Q CB 2.073 30.784 28.738 -0.045 0.000 1.279 731 Q HN 1.041 nan 8.270 nan 0.000 0.444 732 A N 1.788 124.536 122.820 -0.120 0.000 2.498 732 A HA 0.855 5.173 4.320 -0.004 0.000 0.298 732 A C -1.298 176.208 177.584 -0.132 0.000 1.075 732 A CA -0.577 51.431 52.037 -0.047 0.000 0.714 732 A CB 1.914 20.940 19.000 0.043 0.000 1.299 732 A HN 0.620 nan 8.150 nan 0.000 0.407 733 M N 1.568 121.080 119.600 -0.147 0.000 2.274 733 M HA 0.571 5.049 4.480 -0.004 0.000 0.272 733 M C -1.989 174.161 176.300 -0.249 0.000 1.053 733 M CA -0.506 54.562 55.300 -0.386 0.000 0.978 733 M CB 1.118 33.395 32.600 -0.539 0.000 1.836 733 M HN 0.953 nan 8.290 nan 0.000 0.484 734 W N 4.283 125.403 121.300 -0.300 0.000 2.578 734 W HA 0.800 5.458 4.660 -0.004 0.000 0.353 734 W C -2.063 174.168 176.519 -0.480 0.000 1.088 734 W CA -0.885 56.366 57.345 -0.157 0.000 1.235 734 W CB 0.481 29.909 29.460 -0.054 0.000 1.362 734 W HN 0.604 nan 8.180 nan 0.000 0.592 735 Y N 2.102 122.529 120.300 0.212 0.000 2.376 735 Y HA 0.306 4.854 4.550 -0.004 0.000 0.326 735 Y C 0.472 176.488 175.900 0.193 0.000 0.970 735 Y CA -1.175 56.967 58.100 0.070 0.000 1.248 735 Y CB 1.426 39.898 38.460 0.020 0.000 1.117 735 Y HN 0.438 nan 8.280 nan 0.000 0.476 736 T N 4.568 119.297 114.554 0.292 0.000 2.866 736 T HA -0.043 4.305 4.350 -0.004 0.000 0.293 736 T C 0.217 174.997 174.700 0.134 0.000 1.005 736 T CA 0.751 62.965 62.100 0.189 0.000 1.162 736 T CB -0.103 68.815 68.868 0.083 0.000 0.968 736 T HN 0.704 nan 8.240 nan 0.000 0.530 737 D N 0.813 121.264 120.400 0.084 0.000 3.070 737 D HA -0.128 4.510 4.640 -0.004 0.000 0.220 737 D C 0.285 176.725 176.300 0.233 0.000 1.176 737 D CA 1.174 55.178 54.000 0.006 0.000 0.924 737 D CB -0.383 40.234 40.800 -0.305 0.000 1.124 737 D HN 0.544 nan 8.370 nan 0.000 0.411 738 E N 0.779 121.133 120.200 0.257 0.000 2.277 738 E HA 0.355 4.703 4.350 -0.004 0.000 0.274 738 E C 0.731 177.521 176.600 0.316 0.000 1.022 738 E CA -0.359 56.210 56.400 0.282 0.000 0.853 738 E CB 1.220 31.077 29.700 0.261 0.000 1.086 738 E HN 0.330 nan 8.360 nan 0.000 0.397 739 D N -0.572 120.027 120.400 0.331 0.000 2.560 739 D HA 0.008 4.646 4.640 -0.004 0.000 0.277 739 D C 1.050 177.595 176.300 0.409 0.000 1.194 739 D CA -0.208 54.010 54.000 0.364 0.000 1.092 739 D CB -0.145 40.890 40.800 0.391 0.000 1.169 739 D HN 0.388 nan 8.370 nan 0.000 0.607 740 H N -1.630 117.634 119.070 0.323 0.000 2.489 740 H HA 0.080 4.634 4.556 -0.004 0.000 0.295 740 H C 1.840 177.447 175.328 0.464 0.000 1.082 740 H CA 2.037 58.301 56.048 0.359 0.000 1.295 740 H CB -0.347 29.609 29.762 0.323 0.000 1.380 740 H HN 0.498 nan 8.280 nan 0.000 0.548 741 G N -0.431 108.579 108.800 0.349 0.000 2.744 741 G HA2 0.032 3.989 3.960 -0.004 0.000 0.211 741 G HA3 0.032 3.989 3.960 -0.004 0.000 0.211 741 G C 0.699 175.822 174.900 0.371 0.000 1.146 741 G CA 0.253 45.494 45.100 0.236 0.000 0.787 741 G HN 0.505 nan 8.290 nan 0.000 0.534 742 I N 0.227 121.020 120.570 0.371 0.000 5.158 742 I HA -0.339 3.829 4.170 -0.004 0.000 0.126 742 I C 1.648 177.916 176.117 0.253 0.000 1.344 742 I CA 0.205 61.665 61.300 0.268 0.000 2.637 742 I CB -1.320 36.805 38.000 0.207 0.000 2.338 742 I HN 0.266 nan 8.210 nan 0.000 0.320 743 A N 0.973 123.915 122.820 0.204 0.000 2.275 743 A HA 0.186 4.504 4.320 -0.004 0.000 0.212 743 A C 1.231 178.879 177.584 0.107 0.000 1.201 743 A CA 0.662 52.784 52.037 0.142 0.000 0.843 743 A CB 0.073 19.123 19.000 0.083 0.000 0.873 743 A HN 0.630 nan 8.150 nan 0.000 0.492 744 S N -0.094 115.681 115.700 0.125 0.000 2.549 744 S HA 0.098 4.566 4.470 -0.004 0.000 0.286 744 S C 1.395 176.056 174.600 0.102 0.000 1.314 744 S CA 0.472 58.736 58.200 0.106 0.000 1.062 744 S CB 0.792 64.060 63.200 0.113 0.000 0.865 744 S HN 0.570 nan 8.310 nan 0.000 0.498 745 S N 3.249 118.993 115.700 0.073 0.000 2.368 745 S HA -0.195 4.273 4.470 -0.004 0.000 0.226 745 S C 2.083 176.746 174.600 0.105 0.000 1.044 745 S CA 2.614 60.856 58.200 0.069 0.000 1.062 745 S CB -1.475 61.747 63.200 0.038 0.000 0.931 745 S HN 1.066 nan 8.310 nan 0.000 0.440 746 T N -0.230 114.376 114.554 0.087 0.000 2.777 746 T HA 0.177 4.525 4.350 -0.004 0.000 0.266 746 T C 2.009 176.769 174.700 0.100 0.000 1.040 746 T CA 1.338 63.492 62.100 0.090 0.000 1.141 746 T CB -0.989 67.924 68.868 0.075 0.000 0.868 746 T HN 0.486 nan 8.240 nan 0.000 0.444 747 A N 1.490 124.347 122.820 0.062 0.000 1.930 747 A HA -0.075 4.243 4.320 -0.004 0.000 0.217 747 A C 2.178 179.703 177.584 -0.099 0.000 1.175 747 A CA 2.006 54.001 52.037 -0.069 0.000 0.627 747 A CB -1.234 17.684 19.000 -0.138 0.000 0.815 747 A HN 0.790 nan 8.150 nan 0.000 0.443 748 H N -0.036 119.015 119.070 -0.033 0.000 2.290 748 H HA -0.173 4.381 4.556 -0.004 0.000 0.298 748 H C 2.091 177.479 175.328 0.099 0.000 1.087 748 H CA 2.438 58.523 56.048 0.061 0.000 1.291 748 H CB -0.247 29.564 29.762 0.082 0.000 1.369 748 H HN 0.573 nan 8.280 nan 0.000 0.492 749 Q N -0.965 118.840 119.800 0.009 0.000 2.119 749 Q HA -0.185 4.153 4.340 -0.004 0.000 0.201 749 Q C 2.257 178.228 176.000 -0.048 0.000 0.972 749 Q CA 1.269 57.031 55.803 -0.068 0.000 0.847 749 Q CB -0.206 28.540 28.738 0.013 0.000 0.903 749 Q HN 0.635 nan 8.270 nan 0.000 0.433 750 H N 0.847 119.880 119.070 -0.061 0.000 2.353 750 H HA -0.085 4.469 4.556 -0.004 0.000 0.300 750 H C 1.974 177.286 175.328 -0.027 0.000 1.090 750 H CA 1.369 57.414 56.048 -0.005 0.000 1.327 750 H CB 0.003 29.818 29.762 0.089 0.000 1.383 750 H HN 0.294 nan 8.280 nan 0.000 0.508 751 I N -0.059 120.472 120.570 -0.066 0.000 2.353 751 I HA -0.283 3.885 4.170 -0.004 0.000 0.248 751 I C 1.644 177.526 176.117 -0.392 0.000 1.119 751 I CA 1.017 62.197 61.300 -0.199 0.000 1.417 751 I CB -0.241 37.441 38.000 -0.529 0.000 1.078 751 I HN 0.105 nan 8.210 nan 0.000 0.421 752 Y N 0.896 120.969 120.300 -0.378 0.000 2.373 752 Y HA -0.150 4.398 4.550 -0.004 0.000 0.293 752 Y C 2.647 178.319 175.900 -0.379 0.000 1.129 752 Y CA 1.567 59.320 58.100 -0.578 0.000 1.226 752 Y CB -0.633 37.483 38.460 -0.572 0.000 1.000 752 Y HN 0.140 nan 8.280 nan 0.000 0.549 753 T N -1.754 112.712 114.554 -0.147 0.000 2.732 753 T HA -0.203 4.145 4.350 -0.004 0.000 0.261 753 T C 1.574 176.169 174.700 -0.176 0.000 1.040 753 T CA 1.758 63.747 62.100 -0.185 0.000 1.145 753 T CB -0.444 68.306 68.868 -0.197 0.000 0.866 753 T HN 0.383 nan 8.240 nan 0.000 0.427 754 H N 0.853 119.812 119.070 -0.184 0.000 2.352 754 H HA 0.061 4.615 4.556 -0.004 0.000 0.299 754 H C 2.131 177.456 175.328 -0.004 0.000 1.097 754 H CA 1.646 57.662 56.048 -0.052 0.000 1.311 754 H CB -0.242 29.490 29.762 -0.049 0.000 1.377 754 H HN 0.264 nan 8.280 nan 0.000 0.504 755 M N -1.042 118.511 119.600 -0.079 0.000 2.229 755 M HA -0.138 4.340 4.480 -0.004 0.000 0.264 755 M C 2.432 178.843 176.300 0.185 0.000 1.063 755 M CA 1.298 56.557 55.300 -0.068 0.000 1.114 755 M CB 0.112 32.442 32.600 -0.451 0.000 1.387 755 M HN 0.185 nan 8.290 nan 0.000 0.420 756 S N -0.564 115.257 115.700 0.202 0.000 2.356 756 S HA -0.158 4.310 4.470 -0.004 0.000 0.223 756 S C 1.721 176.410 174.600 0.148 0.000 1.032 756 S CA 1.045 59.448 58.200 0.338 0.000 1.005 756 S CB -0.546 62.823 63.200 0.283 0.000 0.867 756 S HN 0.461 nan 8.310 nan 0.000 0.449 757 H N -0.032 119.094 119.070 0.093 0.000 2.319 757 H HA -0.070 4.484 4.556 -0.004 0.000 0.299 757 H C 1.996 177.328 175.328 0.006 0.000 1.092 757 H CA 1.444 57.502 56.048 0.018 0.000 1.302 757 H CB -0.853 28.870 29.762 -0.064 0.000 1.373 757 H HN 0.439 nan 8.280 nan 0.000 0.497 758 F N 1.288 121.226 119.950 -0.019 0.000 2.095 758 F HA -0.203 4.322 4.527 -0.004 0.000 0.298 758 F C 2.299 178.058 175.800 -0.067 0.000 1.104 758 F CA 0.960 58.920 58.000 -0.066 0.000 1.232 758 F CB -0.300 38.641 39.000 -0.099 0.000 0.987 758 F HN -0.025 nan 8.300 nan 0.000 0.475 759 I N 0.667 121.229 120.570 -0.013 0.000 2.252 759 I HA -0.250 3.918 4.170 -0.004 0.000 0.245 759 I C 2.252 178.173 176.117 -0.327 0.000 1.102 759 I CA 1.393 62.530 61.300 -0.272 0.000 1.385 759 I CB -1.275 36.660 38.000 -0.110 0.000 1.064 759 I HN 0.207 nan 8.210 nan 0.000 0.414 760 K N 0.265 120.620 120.400 -0.076 0.000 2.057 760 K HA -0.217 4.100 4.320 -0.004 0.000 0.207 760 K C 2.023 178.617 176.600 -0.012 0.000 1.049 760 K CA 1.044 57.343 56.287 0.019 0.000 0.931 760 K CB -0.296 32.263 32.500 0.099 0.000 0.714 760 K HN 0.365 nan 8.250 nan 0.000 0.440 761 Q N 1.385 121.139 119.800 -0.076 0.000 2.084 761 Q HA -0.187 4.150 4.340 -0.004 0.000 0.202 761 Q C 2.263 178.169 176.000 -0.156 0.000 0.978 761 Q CA 1.645 57.389 55.803 -0.098 0.000 0.844 761 Q CB -0.545 28.122 28.738 -0.119 0.000 0.898 761 Q HN 0.382 nan 8.270 nan 0.000 0.426 762 c N 0.205 118.597 118.600 -0.347 0.000 2.422 762 c HA -0.071 4.497 4.570 -0.004 0.000 0.279 762 c C 2.070 176.157 174.090 -0.006 0.000 1.305 762 c CA 0.396 56.531 56.329 -0.323 0.000 1.757 762 c CB -1.289 40.851 42.510 -0.617 0.000 1.962 762 c HN 0.519 nan 8.230 nan 0.000 0.499 763 F N 2.245 122.151 119.950 -0.074 0.000 2.727 763 F HA 0.227 4.751 4.527 -0.004 0.000 0.302 763 F C 1.658 177.442 175.800 -0.025 0.000 1.097 763 F CA 0.397 58.378 58.000 -0.031 0.000 1.330 763 F CB -1.157 37.833 39.000 -0.017 0.000 1.084 763 F HN 0.386 nan 8.300 nan 0.000 0.578 764 S N 0.288 116.071 115.700 0.138 0.000 3.231 764 S HA -0.215 4.253 4.470 -0.004 0.000 0.334 764 S C 0.897 175.544 174.600 0.078 0.000 0.910 764 S CA -0.002 58.243 58.200 0.075 0.000 1.342 764 S CB -1.635 61.595 63.200 0.049 0.000 0.950 764 S HN 0.162 nan 8.310 nan 0.000 0.526 765 L N 1.460 122.736 121.223 0.090 0.000 2.034 765 L HA 0.234 4.572 4.340 -0.004 0.000 0.203 765 L C 0.467 177.368 176.870 0.051 0.000 1.074 765 L CA 1.713 56.597 54.840 0.074 0.000 0.748 765 L CB -3.012 39.100 42.059 0.088 0.000 0.905 765 L HN 0.708 nan 8.230 nan 0.000 0.439 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.064 0.000 0.800 766 P CB 0.000 31.730 31.700 0.050 0.000 0.726