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 2bgn_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.254 58.200 0.091 0.000 1.107 39 S CB 0.000 63.222 63.200 0.037 0.000 0.593 40 R N 1.821 122.375 120.500 0.090 0.000 1.177 40 R HA 0.551 4.891 4.340 0.000 0.000 0.084 40 R C 0.175 176.523 176.300 0.080 0.000 1.117 40 R CA -0.447 55.699 56.100 0.076 0.000 2.033 40 R CB 0.077 30.421 30.300 0.074 0.000 0.945 40 R HN 0.337 nan 8.270 nan 0.000 0.717 41 K N 0.104 120.555 120.400 0.085 0.000 2.295 41 K HA 0.484 4.804 4.320 0.000 0.000 0.239 41 K C -0.774 175.888 176.600 0.103 0.000 0.991 41 K CA -0.937 55.407 56.287 0.094 0.000 0.845 41 K CB 1.776 34.337 32.500 0.101 0.000 1.197 41 K HN 0.511 nan 8.250 nan 0.000 0.441 42 T N -2.474 112.149 114.554 0.115 0.000 2.923 42 T HA 0.208 4.559 4.350 0.000 0.000 0.281 42 T C -0.720 174.100 174.700 0.200 0.000 0.995 42 T CA -0.723 61.456 62.100 0.132 0.000 0.985 42 T CB 0.471 69.407 68.868 0.114 0.000 1.114 42 T HN 0.517 nan 8.240 nan 0.000 0.548 43 Y N 2.556 122.912 120.300 0.094 0.000 2.539 43 Y HA 0.366 4.916 4.550 0.000 0.000 0.352 43 Y C 0.978 177.036 175.900 0.262 0.000 1.004 43 Y CA -0.264 57.934 58.100 0.162 0.000 1.278 43 Y CB -0.256 38.257 38.460 0.089 0.000 1.136 43 Y HN 0.994 nan 8.280 nan 0.000 0.528 44 T N 2.275 116.861 114.554 0.054 0.000 2.881 44 T HA 0.142 4.492 4.350 0.000 0.000 0.278 44 T C 0.938 175.649 174.700 0.017 0.000 0.982 44 T CA -0.827 61.375 62.100 0.171 0.000 0.989 44 T CB 1.248 70.168 68.868 0.087 0.000 1.058 44 T HN 0.633 nan 8.240 nan 0.000 0.529 45 L N 0.996 122.120 121.223 -0.166 0.000 2.083 45 L HA 0.022 4.362 4.340 0.000 0.000 0.209 45 L C 2.610 179.376 176.870 -0.173 0.000 1.083 45 L CA 2.102 56.656 54.840 -0.476 0.000 0.752 45 L CB -1.534 40.139 42.059 -0.644 0.000 0.899 45 L HN 0.963 nan 8.230 nan 0.000 0.433 46 T N -0.656 113.822 114.554 -0.125 0.000 2.821 46 T HA -0.145 4.205 4.350 0.000 0.000 0.267 46 T C 1.447 176.075 174.700 -0.120 0.000 1.046 46 T CA 1.331 63.370 62.100 -0.103 0.000 1.139 46 T CB -0.338 68.487 68.868 -0.073 0.000 0.871 46 T HN 0.378 nan 8.240 nan 0.000 0.454 47 D N 0.128 120.424 120.400 -0.173 0.000 2.149 47 D HA -0.099 4.541 4.640 0.000 0.000 0.198 47 D C 1.656 177.861 176.300 -0.157 0.000 0.990 47 D CA 1.010 54.857 54.000 -0.255 0.000 0.839 47 D CB -0.240 40.281 40.800 -0.466 0.000 0.948 47 D HN 0.415 nan 8.370 nan 0.000 0.460 48 Y N 1.224 121.371 120.300 -0.254 0.000 2.153 48 Y HA -0.002 4.548 4.550 0.000 0.000 0.289 48 Y C 2.176 178.086 175.900 0.017 0.000 1.119 48 Y CA 1.018 59.123 58.100 0.008 0.000 1.116 48 Y CB -0.670 37.853 38.460 0.105 0.000 1.004 48 Y HN -0.134 nan 8.280 nan 0.000 0.501 49 L N 0.012 121.092 121.223 -0.239 0.000 2.056 49 L HA -0.159 4.181 4.340 0.000 0.000 0.207 49 L C 2.226 179.003 176.870 -0.154 0.000 1.078 49 L CA 1.329 55.972 54.840 -0.329 0.000 0.749 49 L CB -0.475 41.434 42.059 -0.250 0.000 0.901 49 L HN 0.051 nan 8.230 nan 0.000 0.433 50 K N -0.020 120.316 120.400 -0.106 0.000 2.400 50 K HA -0.013 4.307 4.320 0.000 0.000 0.194 50 K C 0.332 176.898 176.600 -0.058 0.000 1.033 50 K CA 0.132 56.375 56.287 -0.073 0.000 1.021 50 K CB -0.325 32.131 32.500 -0.074 0.000 0.808 50 K HN 0.352 nan 8.250 nan 0.000 0.505 51 N N 1.292 119.967 118.700 -0.041 0.000 2.780 51 N HA -0.182 4.558 4.740 0.000 0.000 0.247 51 N C 0.404 175.902 175.510 -0.020 0.000 1.076 51 N CA 0.465 53.526 53.050 0.019 0.000 0.688 51 N CB -0.749 37.751 38.487 0.020 0.000 0.957 51 N HN 0.283 nan 8.380 nan 0.000 0.551 52 T N -2.739 111.742 114.554 -0.122 0.000 2.995 52 T HA -0.089 4.261 4.350 0.000 0.000 0.269 52 T C 0.559 175.023 174.700 -0.394 0.000 1.091 52 T CA 1.044 62.960 62.100 -0.308 0.000 1.128 52 T CB -0.180 68.404 68.868 -0.473 0.000 0.891 52 T HN 0.358 nan 8.240 nan 0.000 0.492 53 Y N 1.883 122.264 120.300 0.136 0.000 2.593 53 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 53 Y C 0.528 176.532 175.900 0.173 0.000 0.986 53 Y CA -1.639 56.568 58.100 0.177 0.000 1.262 53 Y CB 0.492 39.114 38.460 0.271 0.000 1.098 53 Y HN 0.011 nan 8.280 nan 0.000 0.506 54 R N 3.000 123.637 120.500 0.228 0.000 2.308 54 R HA 0.506 4.846 4.340 0.000 0.000 0.305 54 R C -0.914 175.499 176.300 0.188 0.000 1.053 54 R CA -0.453 55.753 56.100 0.176 0.000 0.957 54 R CB 0.612 30.977 30.300 0.110 0.000 1.022 54 R HN 0.669 nan 8.270 nan 0.000 0.461 55 L N 4.232 125.566 121.223 0.185 0.000 2.371 55 L HA 0.304 4.644 4.340 0.000 0.000 0.272 55 L C 0.373 177.331 176.870 0.147 0.000 1.124 55 L CA -0.120 54.827 54.840 0.179 0.000 0.816 55 L CB 1.071 43.251 42.059 0.201 0.000 1.129 55 L HN 0.477 nan 8.230 nan 0.000 0.448 56 K N 3.634 124.121 120.400 0.144 0.000 2.110 56 K HA 0.636 4.956 4.320 0.000 0.000 0.263 56 K C -0.684 175.987 176.600 0.119 0.000 0.975 56 K CA -0.613 55.742 56.287 0.114 0.000 0.895 56 K CB 1.835 34.394 32.500 0.099 0.000 1.060 56 K HN 0.412 nan 8.250 nan 0.000 0.448 57 L N 0.729 121.965 121.223 0.021 0.000 2.267 57 L HA 0.483 4.823 4.340 0.000 0.000 0.264 57 L C -0.793 175.854 176.870 -0.373 0.000 1.021 57 L CA -1.040 53.721 54.840 -0.132 0.000 0.861 57 L CB 0.745 42.799 42.059 -0.009 0.000 1.443 57 L HN 0.551 nan 8.230 nan 0.000 0.475 58 Y N 0.087 119.905 120.300 -0.803 0.000 2.516 58 Y HA 0.276 4.826 4.550 0.000 0.000 0.329 58 Y C -0.669 174.994 175.900 -0.394 0.000 1.095 58 Y CA -0.505 57.204 58.100 -0.653 0.000 1.213 58 Y CB 1.122 39.009 38.460 -0.954 0.000 1.109 58 Y HN 0.406 nan 8.280 nan 0.000 0.630 59 S N 5.158 120.720 115.700 -0.229 0.000 2.414 59 S HA 0.411 4.881 4.470 0.000 0.000 0.290 59 S C -0.456 174.044 174.600 -0.166 0.000 1.160 59 S CA -0.417 57.709 58.200 -0.122 0.000 1.069 59 S CB -0.409 62.771 63.200 -0.033 0.000 1.012 59 S HN 0.542 nan 8.310 nan 0.000 0.510 60 L N 1.263 122.324 121.223 -0.270 0.000 2.330 60 L HA 0.804 5.145 4.340 0.000 0.000 0.271 60 L C -0.139 176.585 176.870 -0.243 0.000 1.013 60 L CA -0.802 53.821 54.840 -0.362 0.000 0.816 60 L CB 0.910 42.411 42.059 -0.930 0.000 1.287 60 L HN 0.237 nan 8.230 nan 0.000 0.435 61 R N 1.711 122.128 120.500 -0.138 0.000 2.422 61 R HA 0.302 4.642 4.340 0.000 0.000 0.307 61 R C -1.763 174.549 176.300 0.019 0.000 1.004 61 R CA -0.559 55.536 56.100 -0.008 0.000 0.882 61 R CB 0.794 31.166 30.300 0.121 0.000 1.164 61 R HN 0.873 nan 8.270 nan 0.000 0.489 62 W N 5.076 126.451 121.300 0.125 0.000 2.264 62 W HA 0.053 4.713 4.660 0.000 0.000 0.331 62 W C 1.828 178.403 176.519 0.093 0.000 1.364 62 W CA -0.238 57.188 57.345 0.135 0.000 1.253 62 W CB 0.525 30.063 29.460 0.129 0.000 1.215 62 W HN 0.620 nan 8.180 nan 0.000 0.561 63 I N 0.133 120.898 120.570 0.325 0.000 4.323 63 I HA 0.268 4.438 4.170 0.000 0.000 0.328 63 I C 0.777 176.959 176.117 0.109 0.000 1.310 63 I CA 0.104 61.494 61.300 0.150 0.000 1.186 63 I CB 0.156 38.167 38.000 0.018 0.000 1.130 63 I HN 0.248 nan 8.210 nan 0.000 0.411 64 S N -0.650 115.130 115.700 0.133 0.000 2.973 64 S HA 0.346 4.816 4.470 0.000 0.000 0.317 64 S C 0.248 174.846 174.600 -0.003 0.000 1.196 64 S CA -0.134 58.062 58.200 -0.006 0.000 0.894 64 S CB 1.031 64.112 63.200 -0.198 0.000 1.292 64 S HN 0.065 nan 8.310 nan 0.000 0.614 65 D N 0.451 120.790 120.400 -0.101 0.000 2.178 65 D HA -0.021 4.619 4.640 0.000 0.000 0.201 65 D C 1.185 177.575 176.300 0.149 0.000 0.980 65 D CA 2.143 56.154 54.000 0.018 0.000 0.842 65 D CB -0.188 40.686 40.800 0.122 0.000 0.948 65 D HN 0.812 nan 8.370 nan 0.000 0.472 66 H N -3.115 116.076 119.070 0.201 0.000 3.367 66 H HA 0.539 5.095 4.556 0.000 0.000 0.257 66 H C -0.276 175.139 175.328 0.145 0.000 1.201 66 H CA -0.581 55.543 56.048 0.128 0.000 1.102 66 H CB 0.040 29.873 29.762 0.119 0.000 1.656 66 H HN -0.131 nan 8.280 nan 0.000 0.662 67 E N 0.837 121.147 120.200 0.184 0.000 2.288 67 E HA 0.428 4.778 4.350 0.000 0.000 0.268 67 E C -1.520 175.251 176.600 0.285 0.000 0.885 67 E CA -1.417 55.082 56.400 0.164 0.000 0.767 67 E CB 2.501 32.222 29.700 0.037 0.000 1.220 67 E HN 0.339 nan 8.360 nan 0.000 0.427 68 Y N -0.099 120.210 120.300 0.016 0.000 2.644 68 Y HA 0.677 5.227 4.550 0.000 0.000 0.338 68 Y C -1.776 174.055 175.900 -0.115 0.000 1.119 68 Y CA -1.312 56.685 58.100 -0.173 0.000 1.060 68 Y CB 0.837 38.868 38.460 -0.715 0.000 1.294 68 Y HN 0.315 nan 8.280 nan 0.000 0.472 69 L N 2.551 123.851 121.223 0.129 0.000 2.334 69 L HA 0.575 4.915 4.340 0.000 0.000 0.273 69 L C -1.432 175.562 176.870 0.206 0.000 1.013 69 L CA -1.079 53.802 54.840 0.069 0.000 0.816 69 L CB 1.930 43.947 42.059 -0.070 0.000 1.278 69 L HN 0.777 nan 8.230 nan 0.000 0.431 70 Y N 2.076 122.373 120.300 -0.006 0.000 2.479 70 Y HA 0.343 4.893 4.550 0.000 0.000 0.338 70 Y C -0.980 174.881 175.900 -0.065 0.000 1.055 70 Y CA -1.366 56.660 58.100 -0.124 0.000 1.023 70 Y CB 1.736 40.003 38.460 -0.321 0.000 1.287 70 Y HN 0.468 nan 8.280 nan 0.000 0.447 71 K N 4.832 124.840 120.400 -0.652 0.000 2.248 71 K HA 0.351 4.671 4.320 0.000 0.000 0.281 71 K C -1.164 174.971 176.600 -0.774 0.000 1.054 71 K CA -0.467 55.517 56.287 -0.504 0.000 0.903 71 K CB 0.827 33.189 32.500 -0.229 0.000 1.077 71 K HN 0.843 nan 8.250 nan 0.000 0.474 72 Q N 4.030 123.576 119.800 -0.424 0.000 2.339 72 Q HA 0.050 4.390 4.340 0.000 0.000 0.268 72 Q C -0.811 175.116 176.000 -0.123 0.000 1.027 72 Q CA -0.349 55.290 55.803 -0.272 0.000 0.759 72 Q CB 1.054 29.738 28.738 -0.090 0.000 1.244 72 Q HN 0.776 nan 8.270 nan 0.000 0.464 73 E N 4.147 124.288 120.200 -0.098 0.000 2.162 73 E HA -0.449 3.901 4.350 0.000 0.000 0.209 73 E C -0.785 175.784 176.600 -0.052 0.000 1.328 73 E CA 1.029 57.395 56.400 -0.056 0.000 0.712 73 E CB -1.486 28.199 29.700 -0.025 0.000 1.107 73 E HN 0.967 nan 8.360 nan 0.000 0.347 74 N N -1.061 117.597 118.700 -0.070 0.000 2.937 74 N HA -0.130 4.610 4.740 0.000 0.000 0.248 74 N C -1.230 174.251 175.510 -0.048 0.000 1.069 74 N CA 1.255 54.275 53.050 -0.051 0.000 0.822 74 N CB -1.496 36.973 38.487 -0.029 0.000 1.122 74 N HN 0.588 nan 8.380 nan 0.000 0.554 75 N N 1.023 119.683 118.700 -0.067 0.000 2.354 75 N HA 0.485 5.225 4.740 0.000 0.000 0.287 75 N C 0.178 175.644 175.510 -0.072 0.000 1.016 75 N CA -0.669 52.350 53.050 -0.053 0.000 0.871 75 N CB 1.423 39.890 38.487 -0.033 0.000 1.299 75 N HN 0.189 nan 8.380 nan 0.000 0.482 76 I N 0.228 120.759 120.570 -0.065 0.000 2.379 76 I HA 0.343 4.513 4.170 0.000 0.000 0.290 76 I C -0.739 175.407 176.117 0.047 0.000 1.063 76 I CA -0.337 60.919 61.300 -0.073 0.000 1.351 76 I CB 0.053 37.941 38.000 -0.186 0.000 1.410 76 I HN 0.214 nan 8.210 nan 0.000 0.505 77 L N 6.657 127.925 121.223 0.075 0.000 2.330 77 L HA 0.667 5.007 4.340 0.000 0.000 0.271 77 L C -0.160 176.796 176.870 0.144 0.000 1.013 77 L CA -1.134 53.787 54.840 0.135 0.000 0.816 77 L CB 2.083 44.265 42.059 0.206 0.000 1.287 77 L HN 0.520 nan 8.230 nan 0.000 0.435 78 V N 1.749 121.698 119.914 0.059 0.000 2.459 78 V HA 0.515 4.635 4.120 0.000 0.000 0.295 78 V C -0.926 175.124 176.094 -0.073 0.000 1.029 78 V CA -0.189 62.099 62.300 -0.020 0.000 0.874 78 V CB 1.326 33.095 31.823 -0.090 0.000 0.985 78 V HN 0.497 nan 8.190 nan 0.000 0.438 79 F N 4.976 124.644 119.950 -0.470 0.000 2.458 79 F HA 0.489 5.016 4.527 0.000 0.000 0.330 79 F C 0.640 176.187 175.800 -0.421 0.000 1.082 79 F CA -0.603 57.077 58.000 -0.532 0.000 0.995 79 F CB 1.668 40.066 39.000 -1.004 0.000 1.170 79 F HN 0.490 nan 8.300 nan 0.000 0.478 80 N N 2.093 120.746 118.700 -0.078 0.000 2.420 80 N HA 0.199 4.939 4.740 0.000 0.000 0.249 80 N C 0.555 176.042 175.510 -0.040 0.000 1.033 80 N CA 0.113 53.161 53.050 -0.003 0.000 0.944 80 N CB 1.659 40.194 38.487 0.081 0.000 1.113 80 N HN 0.842 nan 8.380 nan 0.000 0.502 81 A N 3.855 126.616 122.820 -0.099 0.000 1.892 81 A HA -0.229 4.091 4.320 0.000 0.000 0.218 81 A C 1.934 179.321 177.584 -0.327 0.000 1.188 81 A CA 1.731 53.624 52.037 -0.240 0.000 0.631 81 A CB -0.435 18.143 19.000 -0.703 0.000 0.822 81 A HN 0.757 nan 8.150 nan 0.000 0.447 82 E N -0.864 119.092 120.200 -0.407 0.000 2.017 82 E HA -0.157 4.193 4.350 0.000 0.000 0.193 82 E C 1.650 178.002 176.600 -0.414 0.000 0.997 82 E CA 1.935 58.072 56.400 -0.439 0.000 0.804 82 E CB -0.447 28.774 29.700 -0.797 0.000 0.757 82 E HN 0.750 nan 8.360 nan 0.000 0.448 83 Y N -1.808 118.499 120.300 0.012 0.000 2.503 83 Y HA 0.270 4.820 4.550 0.000 0.000 0.278 83 Y C 1.725 177.629 175.900 0.007 0.000 1.111 83 Y CA 0.176 58.279 58.100 0.006 0.000 1.270 83 Y CB 0.643 39.096 38.460 -0.011 0.000 1.063 83 Y HN 0.278 nan 8.280 nan 0.000 0.548 84 G N 0.816 109.688 108.800 0.120 0.000 2.205 84 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 84 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 84 G C 0.091 175.017 174.900 0.044 0.000 0.980 84 G CA 0.215 45.393 45.100 0.130 0.000 0.632 84 G HN 0.464 nan 8.290 nan 0.000 0.533 85 N N 0.717 119.422 118.700 0.008 0.000 2.444 85 N HA 0.486 5.226 4.740 0.000 0.000 0.255 85 N C -0.094 175.243 175.510 -0.287 0.000 1.255 85 N CA 0.807 53.791 53.050 -0.109 0.000 0.933 85 N CB 1.300 39.755 38.487 -0.053 0.000 1.143 85 N HN 1.061 nan 8.380 nan 0.000 0.453 86 S N -0.973 114.489 115.700 -0.396 0.000 2.546 86 S HA 0.479 4.950 4.470 0.000 0.000 0.272 86 S C -0.993 173.424 174.600 -0.305 0.000 1.140 86 S CA -0.956 56.905 58.200 -0.566 0.000 0.920 86 S CB 1.148 63.572 63.200 -1.293 0.000 1.083 86 S HN 0.536 nan 8.310 nan 0.000 0.476 87 S N 1.409 116.992 115.700 -0.196 0.000 2.617 87 S HA 0.574 5.045 4.470 0.000 0.000 0.283 87 S C -0.101 174.474 174.600 -0.042 0.000 1.189 87 S CA -0.699 57.448 58.200 -0.088 0.000 1.036 87 S CB 1.321 64.506 63.200 -0.025 0.000 1.014 87 S HN 0.715 nan 8.310 nan 0.000 0.522 88 V N 3.652 123.554 119.914 -0.020 0.000 2.479 88 V HA 0.102 4.222 4.120 0.000 0.000 0.281 88 V C 0.450 176.584 176.094 0.067 0.000 1.031 88 V CA 0.378 62.685 62.300 0.012 0.000 1.038 88 V CB 0.162 31.972 31.823 -0.021 0.000 0.981 88 V HN 0.968 nan 8.190 nan 0.000 0.478 89 F N 5.346 125.259 119.950 -0.062 0.000 2.317 89 F HA 0.437 4.964 4.527 0.000 0.000 0.290 89 F C 0.481 176.245 175.800 -0.060 0.000 1.075 89 F CA 0.478 58.444 58.000 -0.058 0.000 1.380 89 F CB 0.624 39.586 39.000 -0.062 0.000 1.093 89 F HN 0.367 nan 8.300 nan 0.000 0.524 90 L N 0.561 121.759 121.223 -0.042 0.000 2.591 90 L HA 0.309 4.649 4.340 0.000 0.000 0.257 90 L C -1.534 175.296 176.870 -0.067 0.000 0.935 90 L CA -0.569 54.193 54.840 -0.130 0.000 0.873 90 L CB 1.817 43.798 42.059 -0.129 0.000 1.397 90 L HN -0.056 nan 8.230 nan 0.000 0.414 91 E N 1.915 122.058 120.200 -0.095 0.000 2.248 91 E HA 0.256 4.606 4.350 0.000 0.000 0.272 91 E C -0.114 176.454 176.600 -0.054 0.000 1.008 91 E CA -0.667 55.691 56.400 -0.071 0.000 0.856 91 E CB 0.838 30.489 29.700 -0.082 0.000 1.120 91 E HN 0.674 nan 8.360 nan 0.000 0.397 92 N N 0.865 119.545 118.700 -0.032 0.000 2.443 92 N HA -0.163 4.577 4.740 0.000 0.000 0.184 92 N C 1.130 176.629 175.510 -0.019 0.000 1.037 92 N CA 1.010 54.055 53.050 -0.008 0.000 0.896 92 N CB -0.421 38.060 38.487 -0.011 0.000 0.959 92 N HN 0.252 nan 8.380 nan 0.000 0.442 93 S N 0.507 116.175 115.700 -0.053 0.000 2.348 93 S HA -0.156 4.314 4.470 0.000 0.000 0.221 93 S C 1.883 176.410 174.600 -0.122 0.000 1.033 93 S CA 1.701 59.860 58.200 -0.069 0.000 1.010 93 S CB -1.203 61.951 63.200 -0.078 0.000 0.891 93 S HN 0.420 nan 8.310 nan 0.000 0.442 94 T N 1.910 116.327 114.554 -0.227 0.000 2.624 94 T HA -0.181 4.169 4.350 0.000 0.000 0.266 94 T C 0.843 175.190 174.700 -0.587 0.000 1.050 94 T CA 1.707 63.505 62.100 -0.503 0.000 1.163 94 T CB -0.569 67.800 68.868 -0.832 0.000 0.861 94 T HN 0.436 nan 8.240 nan 0.000 0.443 95 F N 1.026 120.935 119.950 -0.069 0.000 2.750 95 F HA 0.315 4.842 4.527 0.000 0.000 0.297 95 F C 1.242 177.056 175.800 0.023 0.000 1.138 95 F CA -1.040 56.949 58.000 -0.018 0.000 1.346 95 F CB -0.109 38.818 39.000 -0.122 0.000 0.965 95 F HN -0.027 nan 8.300 nan 0.000 0.514 96 D N 0.679 121.136 120.400 0.095 0.000 2.084 96 D HA -0.139 4.501 4.640 0.000 0.000 0.194 96 D C 0.695 177.044 176.300 0.081 0.000 0.990 96 D CA 1.417 55.458 54.000 0.067 0.000 0.826 96 D CB -0.024 40.786 40.800 0.016 0.000 0.971 96 D HN 0.270 nan 8.370 nan 0.000 0.453 97 E N -0.474 119.770 120.200 0.072 0.000 2.282 97 E HA 0.156 4.506 4.350 0.000 0.000 0.247 97 E C 0.047 176.718 176.600 0.118 0.000 1.113 97 E CA -0.307 56.126 56.400 0.054 0.000 1.095 97 E CB -0.110 29.593 29.700 0.005 0.000 1.328 97 E HN 0.141 nan 8.360 nan 0.000 0.463 98 F N 0.421 120.389 119.950 0.030 0.000 2.446 98 F HA 0.203 4.730 4.527 0.000 0.000 0.292 98 F C 1.741 177.469 175.800 -0.121 0.000 1.096 98 F CA 1.331 59.359 58.000 0.047 0.000 1.438 98 F CB 0.548 39.610 39.000 0.104 0.000 1.107 98 F HN 0.454 nan 8.300 nan 0.000 0.546 99 G N -0.685 108.031 108.800 -0.140 0.000 2.345 99 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 99 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 99 G C 0.209 174.827 174.900 -0.470 0.000 1.058 99 G CA 0.161 45.011 45.100 -0.417 0.000 0.632 99 G HN 0.462 nan 8.290 nan 0.000 0.508 100 H N 0.410 119.510 119.070 0.049 0.000 2.616 100 H HA 0.670 5.226 4.556 0.000 0.000 0.353 100 H C -0.168 175.219 175.328 0.098 0.000 1.170 100 H CA 0.133 56.205 56.048 0.040 0.000 1.212 100 H CB 1.577 31.218 29.762 -0.202 0.000 1.653 100 H HN 0.214 nan 8.280 nan 0.000 0.537 101 S N 1.662 117.470 115.700 0.180 0.000 2.455 101 S HA 0.207 4.677 4.470 0.000 0.000 0.278 101 S C 0.073 174.699 174.600 0.043 0.000 1.216 101 S CA -0.718 57.532 58.200 0.084 0.000 1.055 101 S CB -1.001 62.240 63.200 0.068 0.000 0.939 101 S HN 0.328 nan 8.310 nan 0.000 0.494 102 I N 6.076 126.603 120.570 -0.070 0.000 2.416 102 I HA 0.191 4.361 4.170 0.000 0.000 0.288 102 I C 1.711 177.762 176.117 -0.110 0.000 1.051 102 I CA -0.040 61.160 61.300 -0.167 0.000 1.375 102 I CB 0.697 38.472 38.000 -0.375 0.000 1.407 102 I HN 0.746 nan 8.210 nan 0.000 0.516 103 N N 3.520 122.162 118.700 -0.098 0.000 2.387 103 N HA -0.029 4.711 4.740 0.000 0.000 0.176 103 N C -0.202 175.218 175.510 -0.150 0.000 1.022 103 N CA 0.606 53.579 53.050 -0.128 0.000 0.883 103 N CB 0.564 38.973 38.487 -0.129 0.000 1.019 103 N HN 0.672 nan 8.380 nan 0.000 0.435 104 D N -1.104 119.216 120.400 -0.133 0.000 2.745 104 D HA 0.116 4.756 4.640 0.000 0.000 0.221 104 D C -1.171 175.083 176.300 -0.076 0.000 1.237 104 D CA -0.521 53.392 54.000 -0.144 0.000 0.781 104 D CB 0.829 41.534 40.800 -0.159 0.000 1.575 104 D HN 0.166 nan 8.370 nan 0.000 0.482 105 Y N 0.430 120.708 120.300 -0.036 0.000 2.418 105 Y HA 0.775 5.325 4.550 0.000 0.000 0.327 105 Y C -0.058 175.903 175.900 0.102 0.000 1.309 105 Y CA -0.785 57.317 58.100 0.003 0.000 1.423 105 Y CB 1.131 39.590 38.460 -0.001 0.000 1.423 105 Y HN 0.199 nan 8.280 nan 0.000 0.532 106 S N 0.942 116.932 115.700 0.484 0.000 2.546 106 S HA 0.384 4.854 4.470 0.000 0.000 0.303 106 S C -1.760 173.194 174.600 0.590 0.000 1.067 106 S CA -0.708 57.779 58.200 0.478 0.000 0.944 106 S CB -0.283 63.139 63.200 0.371 0.000 1.155 106 S HN 0.719 nan 8.310 nan 0.000 0.449 107 I N 4.622 125.435 120.570 0.406 0.000 2.339 107 I HA 0.344 4.514 4.170 0.000 0.000 0.290 107 I C 0.907 176.867 176.117 -0.262 0.000 0.994 107 I CA -0.699 60.699 61.300 0.162 0.000 1.191 107 I CB 1.883 39.972 38.000 0.149 0.000 1.343 107 I HN 0.808 nan 8.210 nan 0.000 0.458 108 S N 6.368 121.561 115.700 -0.847 0.000 2.573 108 S HA 0.058 4.528 4.470 0.000 0.000 0.297 108 S C -1.716 172.589 174.600 -0.491 0.000 1.280 108 S CA -0.737 56.630 58.200 -1.388 0.000 1.061 108 S CB 0.541 62.844 63.200 -1.495 0.000 0.812 108 S HN 0.431 nan 8.310 nan 0.000 0.500 109 P HA -0.194 nan 4.420 nan 0.000 0.217 109 P C 0.883 178.130 177.300 -0.089 0.000 1.158 109 P CA 1.857 64.876 63.100 -0.135 0.000 0.887 109 P CB -0.189 31.452 31.700 -0.099 0.000 0.792 110 D N -1.663 118.688 120.400 -0.082 0.000 2.332 110 D HA 0.040 4.680 4.640 0.000 0.000 0.244 110 D C 1.411 177.726 176.300 0.025 0.000 1.136 110 D CA 0.631 54.628 54.000 -0.005 0.000 0.884 110 D CB -1.327 39.498 40.800 0.041 0.000 0.906 110 D HN 0.270 nan 8.370 nan 0.000 0.520 111 G N 0.322 109.124 108.800 0.003 0.000 2.238 111 G HA2 -0.465 3.495 3.960 0.000 0.000 0.270 111 G HA3 -0.465 3.495 3.960 0.000 0.000 0.270 111 G C 1.085 176.038 174.900 0.089 0.000 0.977 111 G CA 0.788 45.943 45.100 0.091 0.000 0.639 111 G HN 0.492 nan 8.290 nan 0.000 0.544 112 Q N -1.395 118.409 119.800 0.006 0.000 2.187 112 Q HA 0.332 4.672 4.340 0.000 0.000 0.199 112 Q C 0.455 176.166 176.000 -0.481 0.000 0.957 112 Q CA 0.693 56.369 55.803 -0.213 0.000 0.857 112 Q CB 0.199 28.807 28.738 -0.217 0.000 0.929 112 Q HN 0.594 nan 8.270 nan 0.000 0.453 113 F N -0.729 119.204 119.950 -0.029 0.000 2.611 113 F HA 0.516 5.043 4.527 0.000 0.000 0.324 113 F C -0.359 175.528 175.800 0.145 0.000 1.061 113 F CA -1.138 56.907 58.000 0.075 0.000 0.954 113 F CB 1.781 40.856 39.000 0.125 0.000 1.301 113 F HN -0.186 nan 8.300 nan 0.000 0.482 114 I N 2.995 123.893 120.570 0.547 0.000 2.569 114 I HA 0.410 4.580 4.170 0.000 0.000 0.290 114 I C -1.980 174.464 176.117 0.546 0.000 1.088 114 I CA -0.823 60.772 61.300 0.490 0.000 1.047 114 I CB 1.909 40.124 38.000 0.358 0.000 1.237 114 I HN 0.496 nan 8.210 nan 0.000 0.421 115 L N 8.278 129.837 121.223 0.561 0.000 2.309 115 L HA 0.580 4.920 4.340 0.000 0.000 0.282 115 L C -1.413 175.603 176.870 0.244 0.000 1.036 115 L CA -0.198 54.886 54.840 0.407 0.000 0.806 115 L CB 1.373 43.641 42.059 0.347 0.000 1.220 115 L HN 0.461 nan 8.230 nan 0.000 0.429 116 L N 4.593 125.914 121.223 0.164 0.000 2.356 116 L HA 0.540 4.880 4.340 0.000 0.000 0.277 116 L C -0.455 176.416 176.870 0.002 0.000 0.996 116 L CA -0.499 54.332 54.840 -0.015 0.000 0.822 116 L CB 1.804 43.703 42.059 -0.268 0.000 1.256 116 L HN 0.598 nan 8.230 nan 0.000 0.413 117 E N 3.445 123.582 120.200 -0.105 0.000 2.134 117 E HA 0.450 4.800 4.350 0.000 0.000 0.278 117 E C -1.612 174.885 176.600 -0.172 0.000 0.959 117 E CA -0.521 55.676 56.400 -0.337 0.000 0.783 117 E CB 1.054 30.622 29.700 -0.220 0.000 1.095 117 E HN 0.448 nan 8.360 nan 0.000 0.399 118 Y N 1.754 121.855 120.300 -0.332 0.000 2.669 118 Y HA 0.475 5.025 4.550 0.000 0.000 0.335 118 Y C -0.005 175.800 175.900 -0.159 0.000 1.116 118 Y CA -1.574 56.419 58.100 -0.178 0.000 1.081 118 Y CB 0.603 39.015 38.460 -0.080 0.000 1.297 118 Y HN 0.478 nan 8.280 nan 0.000 0.484 119 N N -0.643 118.098 118.700 0.069 0.000 2.725 119 N HA -0.305 4.435 4.740 0.000 0.000 0.249 119 N C -0.920 174.579 175.510 -0.019 0.000 1.103 119 N CA 0.966 54.018 53.050 0.004 0.000 0.707 119 N CB -1.763 36.665 38.487 -0.098 0.000 1.043 119 N HN 0.893 nan 8.380 nan 0.000 0.553 120 Y N 0.409 120.639 120.300 -0.117 0.000 2.717 120 Y HA 0.200 4.750 4.550 0.000 0.000 0.330 120 Y C 0.185 176.047 175.900 -0.064 0.000 1.217 120 Y CA 0.184 58.206 58.100 -0.129 0.000 1.506 120 Y CB 0.646 38.979 38.460 -0.212 0.000 1.268 120 Y HN -0.010 nan 8.280 nan 0.000 0.561 121 V N 7.707 127.356 119.914 -0.441 0.000 2.488 121 V HA 0.197 4.317 4.120 0.000 0.000 0.293 121 V C -0.340 175.488 176.094 -0.443 0.000 1.027 121 V CA -1.477 60.657 62.300 -0.277 0.000 0.862 121 V CB 1.319 33.059 31.823 -0.137 0.000 1.008 121 V HN 0.743 nan 8.190 nan 0.000 0.428 122 K N 3.305 123.521 120.400 -0.308 0.000 2.355 122 K HA 0.255 4.575 4.320 0.000 0.000 0.270 122 K C 0.354 176.844 176.600 -0.184 0.000 1.003 122 K CA 0.150 56.325 56.287 -0.187 0.000 0.957 122 K CB 1.315 33.879 32.500 0.107 0.000 0.939 122 K HN 0.836 nan 8.250 nan 0.000 0.482 123 Q N 2.612 122.274 119.800 -0.231 0.000 2.729 123 Q HA 0.176 4.516 4.340 0.000 0.000 0.228 123 Q C -0.106 175.700 176.000 -0.324 0.000 1.021 123 Q CA -0.346 55.149 55.803 -0.514 0.000 0.561 123 Q CB 0.156 28.416 28.738 -0.796 0.000 3.921 123 Q HN 0.701 nan 8.270 nan 0.000 0.430 124 W N -0.015 121.284 121.300 -0.002 0.000 2.240 124 W HA 0.351 5.011 4.660 0.000 0.000 0.576 124 W C 1.664 178.167 176.519 -0.026 0.000 1.811 124 W CA -0.732 56.638 57.345 0.041 0.000 1.962 124 W CB -0.098 29.375 29.460 0.022 0.000 2.620 124 W HN 0.349 nan 8.180 nan 0.000 0.753 125 R N -0.309 120.294 120.500 0.172 0.000 2.112 125 R HA -0.208 4.133 4.340 0.000 0.000 0.242 125 R C 1.670 177.841 176.300 -0.216 0.000 1.137 125 R CA 2.370 58.387 56.100 -0.139 0.000 0.944 125 R CB -0.652 29.393 30.300 -0.425 0.000 0.857 125 R HN 0.501 nan 8.270 nan 0.000 0.435 126 H N -1.223 117.917 119.070 0.117 0.000 3.046 126 H HA 0.254 4.810 4.556 0.000 0.000 0.262 126 H C 0.168 175.555 175.328 0.098 0.000 1.044 126 H CA 0.390 56.529 56.048 0.151 0.000 1.209 126 H CB 0.364 30.201 29.762 0.125 0.000 1.507 126 H HN 0.224 nan 8.280 nan 0.000 0.507 127 S N 1.422 117.077 115.700 -0.075 0.000 2.592 127 S HA 0.410 4.880 4.470 0.000 0.000 0.271 127 S C -0.291 174.140 174.600 -0.282 0.000 1.326 127 S CA -0.505 57.304 58.200 -0.653 0.000 1.024 127 S CB 0.830 63.214 63.200 -1.360 0.000 0.921 127 S HN 0.467 nan 8.310 nan 0.000 0.527 128 Y N -2.299 117.822 120.300 -0.299 0.000 2.814 128 Y HA 0.694 5.244 4.550 0.000 0.000 0.348 128 Y C -0.781 175.042 175.900 -0.129 0.000 1.245 128 Y CA -0.955 56.956 58.100 -0.314 0.000 1.086 128 Y CB 0.530 38.666 38.460 -0.539 0.000 1.373 128 Y HN 0.867 nan 8.280 nan 0.000 0.451 129 T N -0.306 114.269 114.554 0.035 0.000 2.916 129 T HA 1.007 5.357 4.350 0.000 0.000 0.292 129 T C -0.668 174.090 174.700 0.096 0.000 1.055 129 T CA -0.154 61.996 62.100 0.084 0.000 1.009 129 T CB 1.802 70.683 68.868 0.023 0.000 1.118 129 T HN 1.874 nan 8.240 nan 0.000 0.497 130 A N 0.932 123.807 122.820 0.092 0.000 2.599 130 A HA 0.808 5.128 4.320 0.000 0.000 0.290 130 A C -0.592 176.833 177.584 -0.265 0.000 1.101 130 A CA -0.953 51.004 52.037 -0.132 0.000 0.674 130 A CB 1.255 20.115 19.000 -0.234 0.000 1.277 130 A HN 0.886 nan 8.150 nan 0.000 0.419 131 S N -0.746 114.571 115.700 -0.638 0.000 2.638 131 S HA 0.826 5.296 4.470 0.000 0.000 0.298 131 S C -1.522 172.423 174.600 -1.092 0.000 1.111 131 S CA -0.111 57.636 58.200 -0.754 0.000 1.027 131 S CB 0.794 63.415 63.200 -0.966 0.000 1.064 131 S HN 0.464 nan 8.310 nan 0.000 0.525 132 Y N 0.088 120.096 120.300 -0.487 0.000 2.492 132 Y HA 0.468 5.018 4.550 0.000 0.000 0.346 132 Y C -0.548 175.357 175.900 0.008 0.000 0.997 132 Y CA -0.862 57.106 58.100 -0.219 0.000 1.025 132 Y CB 1.897 40.213 38.460 -0.239 0.000 1.263 132 Y HN 0.496 nan 8.280 nan 0.000 0.454 133 D N 2.777 123.377 120.400 0.334 0.000 2.896 133 D HA 0.486 5.126 4.640 0.000 0.000 0.241 133 D C -0.901 175.589 176.300 0.316 0.000 1.188 133 D CA -0.298 53.919 54.000 0.363 0.000 0.879 133 D CB 2.537 43.699 40.800 0.604 0.000 1.553 133 D HN 0.401 nan 8.370 nan 0.000 0.515 134 I N 1.846 122.584 120.570 0.280 0.000 2.428 134 I HA 0.311 4.481 4.170 0.000 0.000 0.296 134 I C -0.656 175.740 176.117 0.464 0.000 0.985 134 I CA -0.890 60.619 61.300 0.347 0.000 1.260 134 I CB 1.232 39.377 38.000 0.242 0.000 1.389 134 I HN 0.264 nan 8.210 nan 0.000 0.484 135 Y N 4.831 125.367 120.300 0.393 0.000 2.361 135 Y HA 0.299 4.849 4.550 0.000 0.000 0.337 135 Y C -0.642 175.442 175.900 0.307 0.000 0.965 135 Y CA -0.964 57.351 58.100 0.358 0.000 1.091 135 Y CB 1.338 40.055 38.460 0.428 0.000 1.182 135 Y HN 0.522 nan 8.280 nan 0.000 0.450 136 D N 6.139 126.494 120.400 -0.075 0.000 2.336 136 D HA 0.101 4.741 4.640 0.000 0.000 0.249 136 D C 0.431 176.504 176.300 -0.379 0.000 1.213 136 D CA 0.248 54.086 54.000 -0.270 0.000 0.870 136 D CB 1.127 41.808 40.800 -0.200 0.000 1.076 136 D HN 0.867 nan 8.370 nan 0.000 0.483 137 L N 3.571 124.636 121.223 -0.263 0.000 2.478 137 L HA -0.050 4.290 4.340 0.000 0.000 0.223 137 L C 1.804 178.558 176.870 -0.194 0.000 1.140 137 L CA 0.213 54.981 54.840 -0.120 0.000 0.842 137 L CB -0.207 41.783 42.059 -0.115 0.000 0.953 137 L HN 0.328 nan 8.230 nan 0.000 0.452 138 N N 0.684 119.224 118.700 -0.267 0.000 2.176 138 N HA -0.075 4.665 4.740 0.000 0.000 0.187 138 N C 1.102 176.509 175.510 -0.172 0.000 1.043 138 N CA 1.109 54.039 53.050 -0.199 0.000 0.851 138 N CB -0.079 38.288 38.487 -0.200 0.000 1.018 138 N HN 0.165 nan 8.380 nan 0.000 0.436 139 K N 1.903 122.187 120.400 -0.193 0.000 2.790 139 K HA 0.152 4.472 4.320 0.000 0.000 0.229 139 K C -0.375 176.096 176.600 -0.216 0.000 1.040 139 K CA -0.178 56.011 56.287 -0.165 0.000 1.211 139 K CB 0.162 32.584 32.500 -0.131 0.000 1.002 139 K HN 0.047 nan 8.250 nan 0.000 0.479 140 R N 1.027 121.386 120.500 -0.235 0.000 2.841 140 R HA -0.246 4.094 4.340 0.000 0.000 0.224 140 R C -0.542 175.502 176.300 -0.427 0.000 0.809 140 R CA 1.043 56.991 56.100 -0.253 0.000 0.547 140 R CB -1.953 28.296 30.300 -0.085 0.000 1.099 140 R HN 0.548 nan 8.270 nan 0.000 0.503 141 Q N -0.767 118.551 119.800 -0.804 0.000 2.534 141 Q HA 0.488 4.828 4.340 0.000 0.000 0.290 141 Q C -0.953 174.730 176.000 -0.528 0.000 0.991 141 Q CA -1.139 54.334 55.803 -0.551 0.000 0.783 141 Q CB 1.651 30.252 28.738 -0.229 0.000 1.470 141 Q HN 0.109 nan 8.270 nan 0.000 0.406 142 L N 1.565 122.746 121.223 -0.071 0.000 2.326 142 L HA 0.298 4.638 4.340 0.000 0.000 0.278 142 L C -0.268 176.656 176.870 0.091 0.000 1.092 142 L CA -0.257 54.678 54.840 0.158 0.000 0.810 142 L CB 0.356 42.582 42.059 0.278 0.000 1.153 142 L HN 0.433 nan 8.230 nan 0.000 0.439 143 I N 2.606 123.257 120.570 0.135 0.000 2.517 143 I HA 0.040 4.210 4.170 0.000 0.000 0.285 143 I C 1.231 177.391 176.117 0.071 0.000 1.106 143 I CA 0.346 61.703 61.300 0.095 0.000 1.402 143 I CB 0.649 38.716 38.000 0.111 0.000 1.399 143 I HN 0.786 nan 8.210 nan 0.000 0.535 144 T N 2.558 117.135 114.554 0.038 0.000 3.037 144 T HA 0.088 4.438 4.350 0.000 0.000 0.251 144 T C 0.565 175.267 174.700 0.002 0.000 1.079 144 T CA -0.116 61.997 62.100 0.021 0.000 1.067 144 T CB 0.254 69.128 68.868 0.010 0.000 0.948 144 T HN 0.659 nan 8.240 nan 0.000 0.496 145 E N 1.082 121.279 120.200 -0.003 0.000 2.359 145 E HA 0.301 4.651 4.350 0.000 0.000 0.266 145 E C -0.968 175.612 176.600 -0.033 0.000 0.920 145 E CA -0.728 55.659 56.400 -0.021 0.000 0.788 145 E CB 0.997 30.686 29.700 -0.018 0.000 1.279 145 E HN -0.019 nan 8.360 nan 0.000 0.438 146 E N 0.574 120.742 120.200 -0.054 0.000 2.240 146 E HA -0.210 4.140 4.350 0.000 0.000 0.194 146 E C -0.561 175.980 176.600 -0.099 0.000 1.385 146 E CA 0.651 57.007 56.400 -0.074 0.000 0.686 146 E CB -1.143 28.527 29.700 -0.051 0.000 1.125 146 E HN 0.502 nan 8.360 nan 0.000 0.359 147 R N -0.232 120.192 120.500 -0.127 0.000 2.607 147 R HA 0.582 4.922 4.340 0.000 0.000 0.261 147 R C 1.031 177.159 176.300 -0.288 0.000 1.051 147 R CA -0.973 55.034 56.100 -0.155 0.000 1.110 147 R CB 0.839 31.078 30.300 -0.101 0.000 1.158 147 R HN 0.094 nan 8.270 nan 0.000 0.543 148 I N 2.795 123.157 120.570 -0.347 0.000 2.474 148 I HA 0.147 4.317 4.170 0.000 0.000 0.287 148 I C -1.859 173.966 176.117 -0.486 0.000 1.048 148 I CA -1.926 59.014 61.300 -0.600 0.000 1.383 148 I CB 0.945 38.572 38.000 -0.622 0.000 1.412 148 I HN 0.250 nan 8.210 nan 0.000 0.531 149 P HA 0.082 nan 4.420 nan 0.000 0.272 149 P C -0.900 176.234 177.300 -0.277 0.000 1.223 149 P CA -0.350 62.398 63.100 -0.586 0.000 0.784 149 P CB 0.305 31.236 31.700 -1.281 0.000 0.923 150 N N 2.570 121.181 118.700 -0.148 0.000 2.381 150 N HA -0.019 4.721 4.740 0.000 0.000 0.241 150 N C 0.472 176.052 175.510 0.116 0.000 1.279 150 N CA 0.425 53.445 53.050 -0.049 0.000 0.896 150 N CB -0.413 38.057 38.487 -0.029 0.000 1.118 150 N HN 0.427 nan 8.380 nan 0.000 0.438 151 N N -1.194 117.564 118.700 0.097 0.000 2.754 151 N HA -0.157 4.583 4.740 0.000 0.000 0.248 151 N C -0.820 174.860 175.510 0.284 0.000 1.093 151 N CA 0.696 53.841 53.050 0.159 0.000 0.699 151 N CB -1.688 36.892 38.487 0.155 0.000 1.016 151 N HN 0.482 nan 8.380 nan 0.000 0.552 152 T N 0.726 115.445 114.554 0.275 0.000 2.913 152 T HA 0.168 4.518 4.350 0.000 0.000 0.297 152 T C 1.730 176.568 174.700 0.230 0.000 1.029 152 T CA 0.000 62.278 62.100 0.296 0.000 1.104 152 T CB 1.280 70.225 68.868 0.129 0.000 0.964 152 T HN 0.178 nan 8.240 nan 0.000 0.532 153 Q N 1.397 121.317 119.800 0.200 0.000 2.394 153 Q HA 0.177 4.517 4.340 0.000 0.000 0.218 153 Q C 0.152 176.287 176.000 0.225 0.000 0.907 153 Q CA 0.165 56.090 55.803 0.203 0.000 0.919 153 Q CB 1.208 30.042 28.738 0.159 0.000 1.051 153 Q HN 0.682 nan 8.270 nan 0.000 0.538 154 W N 0.573 121.816 121.300 -0.095 0.000 3.479 154 W HA 0.479 5.139 4.660 0.000 0.000 0.304 154 W C -2.233 174.189 176.519 -0.162 0.000 1.243 154 W CA -0.602 56.651 57.345 -0.154 0.000 1.202 154 W CB 1.570 30.881 29.460 -0.248 0.000 1.346 154 W HN -0.298 nan 8.180 nan 0.000 0.539 155 V N 3.242 122.500 119.914 -1.093 0.000 2.876 155 V HA 0.724 4.844 4.120 0.000 0.000 0.312 155 V C -0.400 175.086 176.094 -1.013 0.000 1.085 155 V CA -0.667 61.104 62.300 -0.881 0.000 0.945 155 V CB 1.789 33.006 31.823 -1.011 0.000 1.017 155 V HN 0.499 nan 8.190 nan 0.000 0.428 156 T N 2.177 116.456 114.554 -0.459 0.000 3.041 156 T HA 0.521 4.871 4.350 0.000 0.000 0.321 156 T C -1.476 173.249 174.700 0.042 0.000 1.184 156 T CA -0.328 61.694 62.100 -0.129 0.000 1.050 156 T CB 0.867 69.893 68.868 0.264 0.000 1.159 156 T HN 0.522 nan 8.240 nan 0.000 0.469 157 W N 2.871 124.235 121.300 0.108 0.000 2.129 157 W HA 0.476 5.136 4.660 0.000 0.000 0.349 157 W C 1.225 177.673 176.519 -0.119 0.000 1.279 157 W CA -0.557 56.808 57.345 0.034 0.000 1.306 157 W CB 0.633 30.100 29.460 0.011 0.000 1.140 157 W HN 0.796 nan 8.180 nan 0.000 0.613 158 S N 0.860 116.419 115.700 -0.235 0.000 2.603 158 S HA 0.191 4.661 4.470 0.000 0.000 0.268 158 S C -1.889 172.475 174.600 -0.393 0.000 1.317 158 S CA -1.020 56.535 58.200 -1.075 0.000 1.012 158 S CB 1.068 63.508 63.200 -1.265 0.000 0.926 158 S HN 0.257 nan 8.310 nan 0.000 0.539 159 P HA 0.051 nan 4.420 nan 0.000 0.223 159 P C 0.090 177.334 177.300 -0.093 0.000 1.151 159 P CA 0.680 63.728 63.100 -0.087 0.000 0.787 159 P CB -0.202 31.482 31.700 -0.026 0.000 0.788 160 V N -6.357 113.455 119.914 -0.169 0.000 3.007 160 V HA 0.889 5.009 4.120 0.000 0.000 0.311 160 V C 0.316 176.292 176.094 -0.197 0.000 1.120 160 V CA -0.395 61.822 62.300 -0.138 0.000 0.980 160 V CB 1.094 32.856 31.823 -0.102 0.000 1.033 160 V HN 0.394 nan 8.190 nan 0.000 0.429 161 G N 2.452 111.147 108.800 -0.174 0.000 2.512 161 G HA2 -0.139 3.821 3.960 0.000 0.000 0.240 161 G HA3 -0.139 3.821 3.960 0.000 0.000 0.240 161 G C 0.108 174.877 174.900 -0.218 0.000 1.246 161 G CA 0.521 45.463 45.100 -0.263 0.000 0.919 161 G HN 2.423 nan 8.290 nan 0.000 0.577 162 H N -0.521 118.533 119.070 -0.026 0.000 2.750 162 H HA 0.448 5.004 4.556 0.000 0.000 0.239 162 H C 0.445 175.910 175.328 0.228 0.000 1.210 162 H CA -0.181 55.901 56.048 0.056 0.000 0.936 162 H CB 0.034 29.805 29.762 0.014 0.000 2.074 162 H HN 0.467 nan 8.280 nan 0.000 0.622 163 K N 1.676 122.122 120.400 0.077 0.000 2.319 163 K HA 0.402 4.722 4.320 0.000 0.000 0.265 163 K C -0.437 176.276 176.600 0.189 0.000 1.000 163 K CA -0.123 56.203 56.287 0.065 0.000 0.943 163 K CB 1.313 33.699 32.500 -0.191 0.000 0.950 163 K HN 0.187 nan 8.250 nan 0.000 0.485 164 L N 1.489 122.830 121.223 0.196 0.000 2.401 164 L HA 0.594 4.934 4.340 0.000 0.000 0.266 164 L C -0.989 176.052 176.870 0.285 0.000 0.991 164 L CA -0.884 54.030 54.840 0.123 0.000 0.818 164 L CB 2.127 44.112 42.059 -0.124 0.000 1.321 164 L HN 0.709 nan 8.230 nan 0.000 0.413 165 A N 2.735 125.725 122.820 0.283 0.000 2.371 165 A HA 0.833 5.153 4.320 0.000 0.000 0.311 165 A C -1.616 176.002 177.584 0.057 0.000 1.068 165 A CA -0.372 51.739 52.037 0.123 0.000 0.744 165 A CB 1.412 20.395 19.000 -0.028 0.000 1.239 165 A HN 0.654 nan 8.150 nan 0.000 0.435 166 Y N -0.687 119.566 120.300 -0.078 0.000 2.588 166 Y HA 0.775 5.325 4.550 0.000 0.000 0.343 166 Y C -1.297 174.607 175.900 0.007 0.000 1.065 166 Y CA -1.542 56.489 58.100 -0.115 0.000 1.038 166 Y CB 1.140 39.459 38.460 -0.234 0.000 1.297 166 Y HN 0.415 nan 8.280 nan 0.000 0.467 167 V N 2.257 122.264 119.914 0.156 0.000 2.495 167 V HA 0.385 4.505 4.120 0.000 0.000 0.298 167 V C -1.537 174.740 176.094 0.305 0.000 1.031 167 V CA -0.580 61.792 62.300 0.119 0.000 0.871 167 V CB 1.416 33.240 31.823 0.002 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.432 168 W N 5.248 126.608 121.300 0.100 0.000 3.132 168 W HA 0.452 5.112 4.660 0.000 0.000 0.337 168 W C 0.215 176.768 176.519 0.057 0.000 1.082 168 W CA -0.743 56.643 57.345 0.068 0.000 1.242 168 W CB 1.185 30.653 29.460 0.013 0.000 1.354 168 W HN 0.781 nan 8.180 nan 0.000 0.461 169 N N 5.560 123.874 118.700 -0.644 0.000 2.727 169 N HA -0.347 4.393 4.740 0.000 0.000 0.249 169 N C 0.074 175.407 175.510 -0.296 0.000 1.048 169 N CA 1.079 53.771 53.050 -0.596 0.000 0.714 169 N CB -1.118 36.817 38.487 -0.920 0.000 0.959 169 N HN 0.790 nan 8.380 nan 0.000 0.544 170 N N -2.128 116.459 118.700 -0.188 0.000 2.850 170 N HA -0.163 4.577 4.740 0.000 0.000 0.249 170 N C -1.333 174.087 175.510 -0.151 0.000 1.060 170 N CA 1.033 53.989 53.050 -0.157 0.000 0.825 170 N CB -0.386 37.969 38.487 -0.220 0.000 1.132 170 N HN 0.470 nan 8.380 nan 0.000 0.564 171 D N 0.428 120.750 120.400 -0.129 0.000 2.490 171 D HA 0.522 5.162 4.640 0.000 0.000 0.232 171 D C 0.068 176.199 176.300 -0.282 0.000 1.053 171 D CA -0.375 53.473 54.000 -0.253 0.000 0.914 171 D CB 1.867 42.468 40.800 -0.331 0.000 1.431 171 D HN -0.003 nan 8.370 nan 0.000 0.483 172 I N 1.333 121.573 120.570 -0.550 0.000 2.437 172 I HA 0.314 4.484 4.170 0.000 0.000 0.298 172 I C -0.819 174.838 176.117 -0.767 0.000 0.984 172 I CA -0.575 60.398 61.300 -0.546 0.000 1.214 172 I CB 0.783 38.398 38.000 -0.642 0.000 1.365 172 I HN 0.176 nan 8.210 nan 0.000 0.469 173 Y N 3.713 123.630 120.300 -0.639 0.000 2.545 173 Y HA 0.629 5.179 4.550 0.000 0.000 0.348 173 Y C -0.415 175.189 175.900 -0.493 0.000 1.002 173 Y CA -0.966 56.744 58.100 -0.649 0.000 1.039 173 Y CB 2.117 39.937 38.460 -1.067 0.000 1.271 173 Y HN 0.104 nan 8.280 nan 0.000 0.467 174 V N 2.663 122.553 119.914 -0.041 0.000 2.588 174 V HA 0.430 4.550 4.120 0.000 0.000 0.304 174 V C -0.762 175.474 176.094 0.237 0.000 1.042 174 V CA -1.406 60.946 62.300 0.087 0.000 0.877 174 V CB 1.873 33.733 31.823 0.062 0.000 0.996 174 V HN 0.611 nan 8.190 nan 0.000 0.425 175 K N 4.335 124.874 120.400 0.231 0.000 2.265 175 K HA 0.514 4.834 4.320 0.000 0.000 0.267 175 K C 0.408 177.123 176.600 0.192 0.000 0.994 175 K CA -0.689 55.732 56.287 0.223 0.000 0.860 175 K CB 1.918 34.505 32.500 0.144 0.000 1.099 175 K HN 0.469 nan 8.250 nan 0.000 0.448 176 I N 1.187 121.878 120.570 0.202 0.000 2.333 176 I HA -0.077 4.093 4.170 0.000 0.000 0.246 176 I C 0.424 176.641 176.117 0.168 0.000 1.106 176 I CA 1.415 62.800 61.300 0.141 0.000 1.411 176 I CB 0.007 38.076 38.000 0.115 0.000 1.082 176 I HN 0.544 nan 8.210 nan 0.000 0.420 177 E N 0.076 120.367 120.200 0.152 0.000 2.222 177 E HA 0.264 4.614 4.350 0.000 0.000 0.267 177 E C -1.826 174.767 176.600 -0.012 0.000 0.884 177 E CA -2.039 54.418 56.400 0.094 0.000 0.764 177 E CB 1.769 31.522 29.700 0.088 0.000 1.169 177 E HN -0.154 nan 8.360 nan 0.000 0.413 178 P HA -0.239 nan 4.420 nan 0.000 0.218 178 P C 0.916 178.168 177.300 -0.080 0.000 1.154 178 P CA 1.671 64.651 63.100 -0.200 0.000 0.872 178 P CB 0.287 31.685 31.700 -0.503 0.000 0.790 179 N N -1.542 117.131 118.700 -0.045 0.000 2.424 179 N HA -0.014 4.726 4.740 0.000 0.000 0.178 179 N C 0.430 175.941 175.510 0.003 0.000 1.060 179 N CA 0.406 53.454 53.050 -0.003 0.000 0.901 179 N CB -0.617 37.885 38.487 0.025 0.000 0.979 179 N HN 0.086 nan 8.380 nan 0.000 0.451 180 L N 2.004 123.238 121.223 0.017 0.000 2.456 180 L HA 0.404 4.744 4.340 0.000 0.000 0.257 180 L C -1.926 174.948 176.870 0.008 0.000 1.162 180 L CA -1.986 52.870 54.840 0.026 0.000 0.808 180 L CB 0.089 42.190 42.059 0.070 0.000 1.136 180 L HN 0.033 nan 8.230 nan 0.000 0.466 181 P HA 0.135 nan 4.420 nan 0.000 0.274 181 P C -1.093 176.173 177.300 -0.056 0.000 1.231 181 P CA -0.489 62.571 63.100 -0.066 0.000 0.790 181 P CB 0.735 32.362 31.700 -0.121 0.000 0.951 182 S N 1.550 117.250 115.700 -0.000 0.000 2.562 182 S HA 0.394 4.864 4.470 0.000 0.000 0.275 182 S C -0.547 174.089 174.600 0.061 0.000 1.281 182 S CA -0.552 57.723 58.200 0.125 0.000 1.045 182 S CB 0.026 63.365 63.200 0.231 0.000 0.962 182 S HN 0.311 nan 8.310 nan 0.000 0.503 183 Y N 0.868 121.203 120.300 0.057 0.000 2.313 183 Y HA 0.389 4.939 4.550 0.000 0.000 0.332 183 Y C 1.203 177.054 175.900 -0.083 0.000 1.071 183 Y CA -0.852 57.260 58.100 0.019 0.000 1.169 183 Y CB 0.850 39.319 38.460 0.015 0.000 1.192 183 Y HN 0.508 nan 8.280 nan 0.000 0.487 184 R N 3.768 124.242 120.500 -0.044 0.000 2.298 184 R HA 0.172 4.512 4.340 0.000 0.000 0.310 184 R C 0.165 176.241 176.300 -0.373 0.000 1.068 184 R CA 0.040 55.836 56.100 -0.507 0.000 0.957 184 R CB 0.574 30.391 30.300 -0.806 0.000 1.003 184 R HN 0.774 nan 8.270 nan 0.000 0.454 185 I N 1.406 121.651 120.570 -0.541 0.000 2.685 185 I HA -0.026 4.144 4.170 0.000 0.000 0.251 185 I C 1.303 177.225 176.117 -0.326 0.000 1.102 185 I CA 0.985 62.084 61.300 -0.335 0.000 1.442 185 I CB -0.841 36.923 38.000 -0.393 0.000 1.194 185 I HN 0.505 nan 8.210 nan 0.000 0.448 186 T N -3.193 111.029 114.554 -0.553 0.000 2.888 186 T HA 0.382 4.732 4.350 0.000 0.000 0.284 186 T C -0.539 173.875 174.700 -0.476 0.000 1.017 186 T CA -0.467 61.405 62.100 -0.380 0.000 1.022 186 T CB 1.875 70.493 68.868 -0.417 0.000 1.013 186 T HN 0.222 nan 8.240 nan 0.000 0.465 187 W N 0.557 121.740 121.300 -0.194 0.000 2.702 187 W HA 0.239 4.899 4.660 0.000 0.000 0.369 187 W C 1.797 178.256 176.519 -0.099 0.000 0.987 187 W CA -0.242 57.023 57.345 -0.134 0.000 1.702 187 W CB 0.275 29.677 29.460 -0.097 0.000 1.138 187 W HN 0.925 nan 8.180 nan 0.000 0.552 188 T N -3.040 111.544 114.554 0.051 0.000 3.040 188 T HA 0.283 4.633 4.350 0.000 0.000 0.250 188 T C 1.232 175.921 174.700 -0.018 0.000 1.058 188 T CA 0.117 62.235 62.100 0.031 0.000 0.988 188 T CB -0.064 68.821 68.868 0.028 0.000 0.993 188 T HN -0.006 nan 8.240 nan 0.000 0.519 189 G N 1.434 110.191 108.800 -0.071 0.000 2.265 189 G HA2 0.365 4.325 3.960 0.000 0.000 0.240 189 G HA3 0.365 4.325 3.960 0.000 0.000 0.240 189 G C -0.616 174.214 174.900 -0.118 0.000 1.270 189 G CA -0.329 44.703 45.100 -0.112 0.000 0.901 189 G HN 0.552 nan 8.290 nan 0.000 0.507 190 K N 1.912 122.223 120.400 -0.150 0.000 2.565 190 K HA 0.196 4.516 4.320 0.000 0.000 0.251 190 K C -0.366 176.108 176.600 -0.210 0.000 0.956 190 K CA -0.704 55.497 56.287 -0.144 0.000 0.809 190 K CB 1.840 34.293 32.500 -0.078 0.000 1.267 190 K HN 0.603 nan 8.250 nan 0.000 0.438 191 E N 3.213 123.300 120.200 -0.187 0.000 2.480 191 E HA -0.108 4.242 4.350 0.000 0.000 0.258 191 E C -0.577 175.932 176.600 -0.153 0.000 0.984 191 E CA 0.771 57.056 56.400 -0.193 0.000 0.930 191 E CB 0.288 29.909 29.700 -0.132 0.000 0.936 191 E HN 0.627 nan 8.360 nan 0.000 0.466 192 D N 2.798 123.091 120.400 -0.179 0.000 3.077 192 D HA -0.226 4.414 4.640 0.000 0.000 0.217 192 D C 0.427 176.764 176.300 0.062 0.000 1.162 192 D CA 1.149 55.158 54.000 0.016 0.000 0.943 192 D CB -0.395 40.452 40.800 0.077 0.000 1.122 192 D HN 0.423 nan 8.370 nan 0.000 0.413 193 I N -1.250 119.276 120.570 -0.074 0.000 3.814 193 I HA 0.098 4.268 4.170 0.000 0.000 0.264 193 I C 0.670 176.844 176.117 0.094 0.000 1.145 193 I CA 0.414 61.748 61.300 0.056 0.000 1.375 193 I CB 0.124 38.136 38.000 0.021 0.000 1.638 193 I HN -0.146 nan 8.210 nan 0.000 0.432 194 I N 1.857 122.391 120.570 -0.061 0.000 2.389 194 I HA 0.284 4.454 4.170 0.000 0.000 0.288 194 I C -1.223 174.846 176.117 -0.079 0.000 0.999 194 I CA -0.645 60.680 61.300 0.041 0.000 1.129 194 I CB 0.879 38.895 38.000 0.026 0.000 1.288 194 I HN 0.029 nan 8.210 nan 0.000 0.444 195 Y N 4.752 125.135 120.300 0.139 0.000 2.334 195 Y HA 0.400 4.950 4.550 0.000 0.000 0.336 195 Y C 0.375 176.332 175.900 0.095 0.000 0.960 195 Y CA -0.760 57.422 58.100 0.136 0.000 1.164 195 Y CB 1.010 39.623 38.460 0.255 0.000 1.155 195 Y HN 0.399 nan 8.280 nan 0.000 0.478 196 N N 2.439 121.190 118.700 0.086 0.000 2.501 196 N HA 0.354 5.094 4.740 0.000 0.000 0.245 196 N C 0.839 176.272 175.510 -0.129 0.000 0.974 196 N CA 0.422 53.453 53.050 -0.033 0.000 0.941 196 N CB 1.710 40.087 38.487 -0.185 0.000 1.122 196 N HN 0.975 nan 8.380 nan 0.000 0.507 197 G N 1.551 110.294 108.800 -0.094 0.000 2.176 197 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 197 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 197 G C 0.082 174.807 174.900 -0.293 0.000 0.979 197 G CA 0.596 45.559 45.100 -0.229 0.000 0.641 197 G HN 0.634 nan 8.290 nan 0.000 0.530 198 I N -1.498 118.968 120.570 -0.172 0.000 2.828 198 I HA 0.822 4.992 4.170 0.000 0.000 0.302 198 I C 0.320 176.415 176.117 -0.037 0.000 1.101 198 I CA -0.676 60.423 61.300 -0.335 0.000 1.031 198 I CB 2.014 39.630 38.000 -0.640 0.000 1.231 198 I HN 0.181 nan 8.210 nan 0.000 0.427 199 T N -0.326 114.140 114.554 -0.147 0.000 2.899 199 T HA 0.363 4.713 4.350 0.000 0.000 0.284 199 T C -0.044 174.453 174.700 -0.338 0.000 1.004 199 T CA -0.606 61.289 62.100 -0.343 0.000 1.043 199 T CB 1.177 69.938 68.868 -0.178 0.000 1.013 199 T HN 0.798 nan 8.240 nan 0.000 0.518 200 D N 0.524 120.463 120.400 -0.769 0.000 2.376 200 D HA 0.002 4.642 4.640 0.000 0.000 0.268 200 D C 1.032 177.263 176.300 -0.114 0.000 1.252 200 D CA -0.872 52.701 54.000 -0.711 0.000 1.041 200 D CB -0.114 40.180 40.800 -0.844 0.000 1.109 200 D HN 0.688 nan 8.370 nan 0.000 0.552 201 W N -0.390 120.850 121.300 -0.100 0.000 2.354 201 W HA -0.147 4.513 4.660 0.000 0.000 0.315 201 W C 2.216 178.649 176.519 -0.143 0.000 1.206 201 W CA 2.237 59.536 57.345 -0.076 0.000 1.290 201 W CB -0.534 28.837 29.460 -0.149 0.000 1.152 201 W HN 0.163 nan 8.180 nan 0.000 0.489 202 V N -0.131 119.849 119.914 0.109 0.000 2.548 202 V HA -0.247 3.873 4.120 0.000 0.000 0.249 202 V C 1.833 177.756 176.094 -0.286 0.000 1.055 202 V CA 1.820 64.067 62.300 -0.089 0.000 1.065 202 V CB -0.722 31.078 31.823 -0.037 0.000 0.681 202 V HN 0.289 nan 8.190 nan 0.000 0.462 203 Y N 0.745 120.878 120.300 -0.277 0.000 2.242 203 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 203 Y C 2.597 178.391 175.900 -0.176 0.000 1.137 203 Y CA 2.133 60.072 58.100 -0.269 0.000 1.181 203 Y CB -0.057 38.150 38.460 -0.423 0.000 0.989 203 Y HN 0.375 nan 8.280 nan 0.000 0.527 204 E N 0.322 120.483 120.200 -0.065 0.000 2.031 204 E HA -0.288 4.062 4.350 0.000 0.000 0.193 204 E C 2.017 178.562 176.600 -0.092 0.000 0.994 204 E CA 1.576 57.964 56.400 -0.020 0.000 0.800 204 E CB 0.024 29.712 29.700 -0.019 0.000 0.752 204 E HN 0.436 nan 8.360 nan 0.000 0.447 205 E N 0.219 120.180 120.200 -0.399 0.000 2.033 205 E HA -0.143 4.207 4.350 0.000 0.000 0.189 205 E C 1.762 178.215 176.600 -0.246 0.000 0.979 205 E CA 1.440 57.578 56.400 -0.437 0.000 0.802 205 E CB 0.114 29.203 29.700 -1.018 0.000 0.763 205 E HN 0.166 nan 8.360 nan 0.000 0.449 206 E N -0.370 119.661 120.200 -0.281 0.000 2.364 206 E HA 0.034 4.384 4.350 0.000 0.000 0.196 206 E C 1.786 178.246 176.600 -0.233 0.000 0.990 206 E CA 0.852 57.136 56.400 -0.194 0.000 0.886 206 E CB 0.989 30.576 29.700 -0.189 0.000 0.866 206 E HN 0.329 nan 8.360 nan 0.000 0.493 207 V N -1.710 118.026 119.914 -0.297 0.000 3.001 207 V HA 0.111 4.231 4.120 0.000 0.000 0.228 207 V C 1.403 177.317 176.094 -0.301 0.000 1.204 207 V CA 0.302 62.367 62.300 -0.392 0.000 1.247 207 V CB -0.449 30.980 31.823 -0.657 0.000 1.093 207 V HN -0.037 nan 8.190 nan 0.000 0.504 208 F N 1.724 121.690 119.950 0.027 0.000 2.710 208 F HA 0.402 4.930 4.527 0.000 0.000 0.298 208 F C 1.829 177.613 175.800 -0.028 0.000 1.137 208 F CA 0.813 58.844 58.000 0.051 0.000 1.444 208 F CB -0.464 38.605 39.000 0.116 0.000 1.111 208 F HN 0.292 nan 8.300 nan 0.000 0.580 209 S N -0.152 115.594 115.700 0.077 0.000 3.473 209 S HA -0.080 4.390 4.470 0.000 0.000 0.339 209 S C 0.143 174.449 174.600 -0.491 0.000 1.148 209 S CA 0.435 58.596 58.200 -0.065 0.000 0.969 209 S CB -1.555 61.632 63.200 -0.020 0.000 0.936 209 S HN 0.627 nan 8.310 nan 0.000 0.530 210 A N -0.791 121.896 122.820 -0.222 0.000 2.609 210 A HA 0.748 5.068 4.320 0.000 0.000 0.291 210 A C -0.205 177.350 177.584 -0.048 0.000 1.096 210 A CA -0.459 51.416 52.037 -0.271 0.000 0.684 210 A CB 0.402 19.270 19.000 -0.220 0.000 1.282 210 A HN 0.245 nan 8.150 nan 0.000 0.412 211 Y N 1.136 121.274 120.300 -0.269 0.000 2.365 211 Y HA 0.170 4.720 4.550 0.000 0.000 0.293 211 Y C 1.593 177.194 175.900 -0.498 0.000 1.119 211 Y CA 1.044 58.985 58.100 -0.265 0.000 1.203 211 Y CB -0.009 38.327 38.460 -0.206 0.000 1.026 211 Y HN 0.613 nan 8.280 nan 0.000 0.549 212 S N 0.864 116.040 115.700 -0.873 0.000 2.510 212 S HA 0.445 4.915 4.470 0.000 0.000 0.279 212 S C 0.238 174.291 174.600 -0.912 0.000 1.284 212 S CA 0.076 57.499 58.200 -1.294 0.000 1.059 212 S CB 0.268 62.362 63.200 -1.843 0.000 0.901 212 S HN 0.394 nan 8.310 nan 0.000 0.491 213 A N 5.215 127.525 122.820 -0.849 0.000 3.113 213 A HA 0.553 4.873 4.320 0.000 0.000 0.307 213 A C -0.768 176.080 177.584 -1.227 0.000 1.025 213 A CA -0.662 50.807 52.037 -0.946 0.000 1.012 213 A CB -0.535 18.308 19.000 -0.261 0.000 1.085 213 A HN 0.844 nan 8.150 nan 0.000 0.519 214 L N -4.625 115.724 121.223 -1.457 0.000 2.424 214 L HA 0.871 5.211 4.340 0.000 0.000 0.258 214 L C -1.322 174.901 176.870 -1.077 0.000 0.995 214 L CA -1.397 52.791 54.840 -1.087 0.000 0.821 214 L CB 0.987 42.732 42.059 -0.524 0.000 1.383 214 L HN 0.239 nan 8.230 nan 0.000 0.410 215 W N 1.143 122.425 121.300 -0.031 0.000 2.756 215 W HA 0.346 5.006 4.660 0.000 0.000 0.333 215 W C -1.456 175.207 176.519 0.239 0.000 1.025 215 W CA -0.786 56.661 57.345 0.170 0.000 1.246 215 W CB 1.513 31.153 29.460 0.300 0.000 1.358 215 W HN 0.613 nan 8.180 nan 0.000 0.444 216 W N 2.305 123.795 121.300 0.317 0.000 2.150 216 W HA 0.244 4.905 4.660 0.000 0.000 0.341 216 W C 1.332 177.658 176.519 -0.323 0.000 1.276 216 W CA 0.267 57.661 57.345 0.082 0.000 1.238 216 W CB 0.856 30.343 29.460 0.046 0.000 1.128 216 W HN 0.211 nan 8.180 nan 0.000 0.581 217 S N 2.155 117.583 115.700 -0.453 0.000 2.600 217 S HA 0.212 4.683 4.470 0.000 0.000 0.265 217 S C -1.778 172.578 174.600 -0.406 0.000 1.325 217 S CA -1.003 56.415 58.200 -1.304 0.000 1.002 217 S CB 1.210 63.668 63.200 -1.236 0.000 0.921 217 S HN 0.265 nan 8.310 nan 0.000 0.554 218 P HA -0.147 nan 4.420 nan 0.000 0.215 218 P C 0.975 178.241 177.300 -0.057 0.000 1.157 218 P CA 1.645 64.709 63.100 -0.060 0.000 0.874 218 P CB -0.242 31.469 31.700 0.017 0.000 0.790 219 N N -1.673 116.985 118.700 -0.070 0.000 2.398 219 N HA 0.091 4.831 4.740 0.000 0.000 0.188 219 N C 1.101 176.532 175.510 -0.132 0.000 1.122 219 N CA 0.841 53.843 53.050 -0.079 0.000 0.866 219 N CB -0.893 37.564 38.487 -0.049 0.000 0.970 219 N HN 0.208 nan 8.380 nan 0.000 0.462 220 G N -1.364 107.358 108.800 -0.130 0.000 2.132 220 G HA2 -0.301 3.659 3.960 0.000 0.000 0.234 220 G HA3 -0.301 3.659 3.960 0.000 0.000 0.234 220 G C 0.849 175.728 174.900 -0.035 0.000 0.989 220 G CA 0.592 45.597 45.100 -0.159 0.000 0.676 220 G HN 0.358 nan 8.290 nan 0.000 0.522 221 T N -0.064 114.441 114.554 -0.081 0.000 2.701 221 T HA 0.196 4.546 4.350 0.000 0.000 0.263 221 T C 0.858 175.440 174.700 -0.196 0.000 1.040 221 T CA 1.300 63.260 62.100 -0.234 0.000 1.147 221 T CB -0.086 68.508 68.868 -0.457 0.000 0.865 221 T HN 0.288 nan 8.240 nan 0.000 0.426 222 F N 0.361 120.360 119.950 0.081 0.000 2.425 222 F HA 0.552 5.079 4.527 0.000 0.000 0.331 222 F C -0.008 175.890 175.800 0.164 0.000 1.085 222 F CA -1.180 56.909 58.000 0.148 0.000 1.028 222 F CB 1.055 40.197 39.000 0.237 0.000 1.177 222 F HN -0.068 nan 8.300 nan 0.000 0.487 223 L N 3.085 124.482 121.223 0.291 0.000 2.345 223 L HA 0.649 4.989 4.340 0.000 0.000 0.274 223 L C -0.596 176.369 176.870 0.158 0.000 0.999 223 L CA -0.495 54.329 54.840 -0.026 0.000 0.849 223 L CB 0.808 42.633 42.059 -0.390 0.000 1.220 223 L HN 0.797 nan 8.230 nan 0.000 0.422 224 A N 4.978 127.955 122.820 0.263 0.000 2.302 224 A HA 0.702 5.022 4.320 0.000 0.000 0.285 224 A C -1.203 176.418 177.584 0.061 0.000 1.105 224 A CA -0.218 51.864 52.037 0.074 0.000 0.816 224 A CB 0.822 19.926 19.000 0.172 0.000 1.067 224 A HN 0.732 nan 8.150 nan 0.000 0.489 225 Y N -2.199 117.867 120.300 -0.390 0.000 2.641 225 Y HA 0.706 5.256 4.550 0.000 0.000 0.333 225 Y C -0.440 175.257 175.900 -0.338 0.000 1.174 225 Y CA -0.805 57.122 58.100 -0.288 0.000 1.057 225 Y CB 0.717 39.011 38.460 -0.277 0.000 1.322 225 Y HN 0.963 nan 8.280 nan 0.000 0.457 226 A N 2.184 125.009 122.820 0.009 0.000 2.320 226 A HA 0.717 5.037 4.320 0.000 0.000 0.334 226 A C -1.168 176.311 177.584 -0.175 0.000 1.147 226 A CA -0.781 51.164 52.037 -0.155 0.000 0.820 226 A CB 1.701 20.569 19.000 -0.220 0.000 1.218 226 A HN 0.870 nan 8.150 nan 0.000 0.482 227 Q N 1.015 120.630 119.800 -0.308 0.000 2.310 227 Q HA 0.628 4.968 4.340 0.000 0.000 0.270 227 Q C -2.139 173.634 176.000 -0.377 0.000 1.025 227 Q CA -0.352 55.366 55.803 -0.141 0.000 0.772 227 Q CB 0.974 29.853 28.738 0.236 0.000 1.253 227 Q HN 0.543 nan 8.270 nan 0.000 0.450 228 F N 2.500 122.538 119.950 0.147 0.000 2.436 228 F HA 0.418 4.946 4.527 0.000 0.000 0.340 228 F C 0.335 176.278 175.800 0.237 0.000 1.113 228 F CA -0.925 57.143 58.000 0.112 0.000 1.022 228 F CB 1.454 40.434 39.000 -0.035 0.000 1.128 228 F HN 0.511 nan 8.300 nan 0.000 0.466 229 N N 2.322 121.230 118.700 0.347 0.000 2.511 229 N HA 0.173 4.913 4.740 0.000 0.000 0.249 229 N C -0.648 175.030 175.510 0.280 0.000 0.971 229 N CA -0.237 52.982 53.050 0.282 0.000 0.938 229 N CB 0.896 39.496 38.487 0.189 0.000 1.131 229 N HN 0.538 nan 8.380 nan 0.000 0.505 230 D N 1.807 122.397 120.400 0.318 0.000 2.358 230 D HA 0.107 4.747 4.640 0.000 0.000 0.224 230 D C 1.200 177.616 176.300 0.194 0.000 1.123 230 D CA 0.180 54.345 54.000 0.275 0.000 0.833 230 D CB 0.437 41.461 40.800 0.374 0.000 0.946 230 D HN 0.484 nan 8.370 nan 0.000 0.505 231 T N 0.471 115.120 114.554 0.159 0.000 2.624 231 T HA -0.213 4.137 4.350 0.000 0.000 0.268 231 T C 1.246 176.003 174.700 0.096 0.000 1.041 231 T CA 1.404 63.572 62.100 0.113 0.000 1.159 231 T CB -0.022 68.901 68.868 0.093 0.000 0.863 231 T HN 0.255 nan 8.240 nan 0.000 0.434 232 E N 0.296 120.553 120.200 0.094 0.000 2.451 232 E HA 0.200 4.550 4.350 0.000 0.000 0.194 232 E C -0.648 176.001 176.600 0.082 0.000 1.027 232 E CA -0.257 56.189 56.400 0.076 0.000 0.914 232 E CB 0.607 30.345 29.700 0.064 0.000 1.054 232 E HN 0.174 nan 8.360 nan 0.000 0.461 233 V N 3.428 123.404 119.914 0.103 0.000 2.455 233 V HA 0.116 4.236 4.120 0.000 0.000 0.273 233 V C -1.938 174.212 176.094 0.093 0.000 1.045 233 V CA -1.675 60.688 62.300 0.105 0.000 0.976 233 V CB 0.339 32.242 31.823 0.133 0.000 0.993 233 V HN 0.089 nan 8.190 nan 0.000 0.475 234 P HA 0.146 nan 4.420 nan 0.000 0.269 234 P C -0.610 176.727 177.300 0.062 0.000 1.217 234 P CA -0.054 63.085 63.100 0.064 0.000 0.783 234 P CB 0.485 32.224 31.700 0.064 0.000 0.898 235 L N 1.822 123.061 121.223 0.027 0.000 2.309 235 L HA 0.458 4.798 4.340 0.000 0.000 0.282 235 L C 0.325 177.157 176.870 -0.063 0.000 1.036 235 L CA -1.025 53.812 54.840 -0.005 0.000 0.806 235 L CB 1.189 43.237 42.059 -0.018 0.000 1.220 235 L HN 0.285 nan 8.230 nan 0.000 0.429 236 I N 2.994 123.483 120.570 -0.135 0.000 2.396 236 I HA 0.272 4.442 4.170 0.000 0.000 0.292 236 I C -0.328 175.645 176.117 -0.240 0.000 0.999 236 I CA 0.126 61.261 61.300 -0.275 0.000 1.310 236 I CB 1.031 38.656 38.000 -0.625 0.000 1.404 236 I HN 0.646 nan 8.210 nan 0.000 0.496 237 E N 7.176 127.255 120.200 -0.202 0.000 2.272 237 E HA 0.556 4.906 4.350 0.000 0.000 0.269 237 E C -1.837 174.704 176.600 -0.100 0.000 0.877 237 E CA -0.743 55.533 56.400 -0.207 0.000 0.755 237 E CB 1.926 31.526 29.700 -0.166 0.000 1.192 237 E HN 0.556 nan 8.360 nan 0.000 0.422 238 Y N -1.477 118.732 120.300 -0.152 0.000 2.581 238 Y HA 0.579 5.129 4.550 0.000 0.000 0.337 238 Y C -0.898 174.926 175.900 -0.126 0.000 1.108 238 Y CA -1.288 56.727 58.100 -0.141 0.000 1.033 238 Y CB 1.061 39.438 38.460 -0.138 0.000 1.318 238 Y HN 0.367 nan 8.280 nan 0.000 0.459 239 S N 2.133 117.831 115.700 -0.003 0.000 2.584 239 S HA 0.516 4.986 4.470 0.000 0.000 0.273 239 S C -1.334 173.118 174.600 -0.246 0.000 1.311 239 S CA -0.375 57.692 58.200 -0.221 0.000 1.034 239 S CB 0.638 63.599 63.200 -0.398 0.000 0.939 239 S HN 0.558 nan 8.310 nan 0.000 0.513 240 F N 1.565 121.234 119.950 -0.468 0.000 2.518 240 F HA 0.454 4.981 4.527 0.000 0.000 0.323 240 F C -0.334 175.198 175.800 -0.446 0.000 1.129 240 F CA -0.920 56.861 58.000 -0.365 0.000 0.920 240 F CB 0.996 39.941 39.000 -0.093 0.000 1.160 240 F HN 0.646 nan 8.300 nan 0.000 0.440 241 Y N 2.546 122.576 120.300 -0.450 0.000 2.436 241 Y HA 0.180 4.730 4.550 0.000 0.000 0.288 241 Y C 1.652 177.459 175.900 -0.155 0.000 1.112 241 Y CA 0.988 58.949 58.100 -0.232 0.000 1.220 241 Y CB -0.328 37.998 38.460 -0.224 0.000 1.073 241 Y HN 0.743 nan 8.280 nan 0.000 0.552 242 S N -0.350 115.246 115.700 -0.173 0.000 3.569 242 S HA -0.206 4.264 4.470 0.000 0.000 0.635 242 S C -0.764 173.872 174.600 0.060 0.000 2.396 242 S CA 0.173 58.418 58.200 0.075 0.000 2.612 242 S CB -1.192 62.136 63.200 0.213 0.000 0.331 242 S HN 0.452 nan 8.310 nan 0.000 1.764 243 D N 1.993 122.446 120.400 0.089 0.000 2.382 243 D HA 0.169 4.809 4.640 0.000 0.000 0.240 243 D C 1.476 177.803 176.300 0.046 0.000 1.146 243 D CA 0.551 54.588 54.000 0.060 0.000 0.897 243 D CB 0.273 41.111 40.800 0.063 0.000 1.197 243 D HN 0.714 nan 8.370 nan 0.000 0.432 244 E N -0.199 120.016 120.200 0.026 0.000 2.333 244 E HA -0.188 4.162 4.350 0.000 0.000 0.198 244 E C 1.066 177.678 176.600 0.019 0.000 1.007 244 E CA 1.015 57.423 56.400 0.013 0.000 0.845 244 E CB -0.065 29.633 29.700 -0.003 0.000 0.766 244 E HN 0.314 nan 8.360 nan 0.000 0.507 245 S N 0.767 116.485 115.700 0.030 0.000 2.469 245 S HA -0.057 4.413 4.470 0.000 0.000 0.238 245 S C 1.138 175.765 174.600 0.045 0.000 0.998 245 S CA 0.212 58.432 58.200 0.034 0.000 0.957 245 S CB -0.212 63.011 63.200 0.038 0.000 0.764 245 S HN 0.334 nan 8.310 nan 0.000 0.514 246 L N 2.758 124.016 121.223 0.057 0.000 2.295 246 L HA 0.237 4.578 4.340 0.000 0.000 0.288 246 L C 1.365 178.278 176.870 0.071 0.000 1.079 246 L CA 0.003 54.890 54.840 0.078 0.000 0.830 246 L CB 1.103 43.221 42.059 0.099 0.000 1.200 246 L HN 0.363 nan 8.230 nan 0.000 0.438 247 Q N 4.443 124.291 119.800 0.080 0.000 2.050 247 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 247 Q C -0.549 175.422 176.000 -0.048 0.000 0.980 247 Q CA 1.534 57.351 55.803 0.024 0.000 0.840 247 Q CB 0.123 28.906 28.738 0.075 0.000 0.898 247 Q HN 0.625 nan 8.270 nan 0.000 0.424 248 Y N 0.809 121.125 120.300 0.028 0.000 2.341 248 Y HA 0.366 4.916 4.550 0.000 0.000 0.337 248 Y C -1.999 173.920 175.900 0.032 0.000 1.014 248 Y CA -2.918 55.197 58.100 0.026 0.000 1.111 248 Y CB 1.200 39.667 38.460 0.011 0.000 1.194 248 Y HN 0.190 nan 8.280 nan 0.000 0.462 249 P HA 0.072 nan 4.420 nan 0.000 0.269 249 P C -0.670 176.656 177.300 0.044 0.000 1.209 249 P CA -0.532 62.614 63.100 0.077 0.000 0.776 249 P CB 0.761 32.484 31.700 0.039 0.000 0.876 250 K N 0.927 121.334 120.400 0.011 0.000 2.118 250 K HA 0.330 4.651 4.320 0.000 0.000 0.267 250 K C -0.601 175.964 176.600 -0.058 0.000 0.991 250 K CA -0.306 55.984 56.287 0.007 0.000 0.916 250 K CB 0.542 33.076 32.500 0.057 0.000 1.041 250 K HN 0.335 nan 8.250 nan 0.000 0.455 251 T N 3.056 117.561 114.554 -0.082 0.000 2.853 251 T HA 0.180 4.530 4.350 0.000 0.000 0.317 251 T C -0.400 174.178 174.700 -0.204 0.000 1.059 251 T CA -0.589 61.426 62.100 -0.141 0.000 0.954 251 T CB 0.647 69.446 68.868 -0.114 0.000 0.994 251 T HN 0.263 nan 8.240 nan 0.000 0.479 252 V N 6.040 125.753 119.914 -0.335 0.000 2.585 252 V HA 0.303 4.423 4.120 0.000 0.000 0.296 252 V C 0.735 176.538 176.094 -0.485 0.000 1.035 252 V CA -0.199 61.830 62.300 -0.452 0.000 1.084 252 V CB -0.036 31.316 31.823 -0.785 0.000 0.953 252 V HN 0.763 nan 8.190 nan 0.000 0.483 253 R N 3.657 123.994 120.500 -0.272 0.000 2.575 253 R HA 0.822 5.162 4.340 0.000 0.000 0.293 253 R C -2.151 174.100 176.300 -0.080 0.000 0.983 253 R CA -0.652 55.330 56.100 -0.198 0.000 0.887 253 R CB 1.931 32.152 30.300 -0.131 0.000 1.184 253 R HN 0.372 nan 8.270 nan 0.000 0.445 254 V N 3.483 123.354 119.914 -0.071 0.000 2.686 254 V HA 0.401 4.521 4.120 0.000 0.000 0.306 254 V C -2.450 173.670 176.094 0.044 0.000 1.065 254 V CA -2.259 60.062 62.300 0.034 0.000 0.894 254 V CB 2.589 34.401 31.823 -0.018 0.000 1.004 254 V HN 0.727 nan 8.190 nan 0.000 0.424 255 P HA 0.273 nan 4.420 nan 0.000 0.271 255 P C -1.482 175.911 177.300 0.155 0.000 1.233 255 P CA 0.163 63.355 63.100 0.153 0.000 0.764 255 P CB -0.049 31.785 31.700 0.223 0.000 0.825 256 Y N 5.726 125.998 120.300 -0.046 0.000 2.287 256 Y HA 0.330 4.880 4.550 0.000 0.000 0.321 256 Y C -2.829 173.042 175.900 -0.049 0.000 1.173 256 Y CA -2.471 55.552 58.100 -0.128 0.000 1.124 256 Y CB 1.790 40.059 38.460 -0.319 0.000 1.201 256 Y HN 0.284 nan 8.280 nan 0.000 0.421 257 P HA 0.282 nan 4.420 nan 0.000 0.288 257 P C -0.821 176.494 177.300 0.026 0.000 1.363 257 P CA -0.206 62.912 63.100 0.031 0.000 0.837 257 P CB 1.189 32.896 31.700 0.012 0.000 0.981 258 K N 1.956 122.471 120.400 0.191 0.000 2.132 258 K HA 0.473 4.794 4.320 0.000 0.000 0.240 258 K C 0.643 177.327 176.600 0.139 0.000 1.036 258 K CA -0.631 55.786 56.287 0.216 0.000 0.888 258 K CB 0.451 33.105 32.500 0.257 0.000 1.071 258 K HN 0.431 nan 8.250 nan 0.000 0.502 259 A N 0.528 123.451 122.820 0.172 0.000 2.524 259 A HA 0.370 4.690 4.320 0.000 0.000 0.250 259 A C 1.121 178.733 177.584 0.047 0.000 1.078 259 A CA 0.755 52.881 52.037 0.149 0.000 0.761 259 A CB -0.890 18.275 19.000 0.275 0.000 1.012 259 A HN 0.867 nan 8.150 nan 0.000 0.500 260 G N 0.931 109.751 108.800 0.033 0.000 2.225 260 G HA2 0.081 4.041 3.960 0.000 0.000 0.254 260 G HA3 0.081 4.041 3.960 0.000 0.000 0.254 260 G C 0.758 175.667 174.900 0.014 0.000 0.988 260 G CA 0.724 45.820 45.100 -0.008 0.000 0.625 260 G HN 2.044 nan 8.290 nan 0.000 0.527 261 A N -0.449 122.394 122.820 0.040 0.000 2.296 261 A HA 0.754 5.074 4.320 0.000 0.000 0.276 261 A C 0.686 178.299 177.584 0.048 0.000 1.356 261 A CA 0.490 52.556 52.037 0.048 0.000 0.825 261 A CB 0.414 19.457 19.000 0.071 0.000 1.308 261 A HN 1.117 nan 8.150 nan 0.000 0.515 262 V N 1.993 121.939 119.914 0.054 0.000 2.406 262 V HA 0.173 4.293 4.120 0.000 0.000 0.272 262 V C -0.063 176.073 176.094 0.071 0.000 1.043 262 V CA -0.575 61.758 62.300 0.055 0.000 0.915 262 V CB 0.479 32.335 31.823 0.055 0.000 0.988 262 V HN 0.748 nan 8.190 nan 0.000 0.466 263 N N 6.235 124.977 118.700 0.070 0.000 2.463 263 N HA 0.459 5.199 4.740 0.000 0.000 0.270 263 N C -2.196 173.391 175.510 0.129 0.000 1.205 263 N CA -1.415 51.696 53.050 0.101 0.000 0.974 263 N CB 0.801 39.343 38.487 0.092 0.000 1.197 263 N HN 0.370 nan 8.380 nan 0.000 0.504 264 P HA 0.068 nan 4.420 nan 0.000 0.273 264 P C -0.388 177.048 177.300 0.226 0.000 1.258 264 P CA 0.059 63.306 63.100 0.246 0.000 0.802 264 P CB 0.221 32.137 31.700 0.360 0.000 1.040 265 T N -4.136 110.555 114.554 0.229 0.000 2.883 265 T HA 0.626 4.976 4.350 0.000 0.000 0.296 265 T C -0.862 173.940 174.700 0.170 0.000 1.117 265 T CA -0.830 61.354 62.100 0.139 0.000 1.006 265 T CB 1.442 70.359 68.868 0.082 0.000 1.191 265 T HN 0.358 nan 8.240 nan 0.000 0.508 266 V N 0.235 120.200 119.914 0.085 0.000 3.007 266 V HA 0.854 4.974 4.120 0.000 0.000 0.311 266 V C -1.689 174.427 176.094 0.035 0.000 1.120 266 V CA -0.766 61.541 62.300 0.012 0.000 0.980 266 V CB 2.181 34.032 31.823 0.047 0.000 1.033 266 V HN 1.112 nan 8.190 nan 0.000 0.429 267 K N 3.605 123.972 120.400 -0.055 0.000 2.512 267 K HA 0.599 4.919 4.320 0.000 0.000 0.263 267 K C -2.091 174.381 176.600 -0.214 0.000 0.966 267 K CA -0.484 55.746 56.287 -0.095 0.000 0.851 267 K CB 2.781 35.200 32.500 -0.136 0.000 1.395 267 K HN 0.545 nan 8.250 nan 0.000 0.440 268 F N 2.150 121.739 119.950 -0.602 0.000 2.539 268 F HA 0.554 5.081 4.527 0.000 0.000 0.318 268 F C -1.620 173.620 175.800 -0.934 0.000 1.135 268 F CA -0.584 57.076 58.000 -0.566 0.000 0.915 268 F CB 0.855 39.697 39.000 -0.264 0.000 1.176 268 F HN 0.371 nan 8.300 nan 0.000 0.440 269 F N 4.245 123.570 119.950 -1.042 0.000 2.593 269 F HA 0.797 5.324 4.527 0.000 0.000 0.320 269 F C -0.863 174.392 175.800 -0.908 0.000 1.060 269 F CA -1.266 56.214 58.000 -0.866 0.000 0.940 269 F CB 2.002 40.392 39.000 -1.018 0.000 1.268 269 F HN 0.104 nan 8.300 nan 0.000 0.475 270 V N 2.270 122.055 119.914 -0.215 0.000 2.709 270 V HA 0.648 4.769 4.120 0.000 0.000 0.308 270 V C -1.074 175.162 176.094 0.237 0.000 1.062 270 V CA -0.826 61.433 62.300 -0.069 0.000 0.901 270 V CB 2.024 33.681 31.823 -0.276 0.000 1.003 270 V HN 0.612 nan 8.190 nan 0.000 0.425 271 V N 3.877 123.985 119.914 0.324 0.000 2.823 271 V HA 0.534 4.654 4.120 0.000 0.000 0.312 271 V C -0.384 175.943 176.094 0.388 0.000 1.072 271 V CA -0.707 61.794 62.300 0.334 0.000 0.937 271 V CB 2.255 34.216 31.823 0.230 0.000 1.013 271 V HN 1.009 nan 8.190 nan 0.000 0.430 272 N N 2.052 120.914 118.700 0.271 0.000 2.437 272 N HA 0.232 4.972 4.740 0.000 0.000 0.259 272 N C 1.030 176.519 175.510 -0.036 0.000 0.983 272 N CA 0.284 53.361 53.050 0.045 0.000 0.937 272 N CB 1.452 39.922 38.487 -0.028 0.000 1.122 272 N HN 0.854 nan 8.380 nan 0.000 0.499 273 T N 0.136 114.654 114.554 -0.059 0.000 3.043 273 T HA -0.022 4.328 4.350 0.000 0.000 0.263 273 T C 0.900 175.524 174.700 -0.126 0.000 1.094 273 T CA 0.672 62.739 62.100 -0.056 0.000 1.127 273 T CB 0.072 68.998 68.868 0.095 0.000 0.905 273 T HN 0.377 nan 8.240 nan 0.000 0.490 274 D N 2.654 122.966 120.400 -0.147 0.000 2.144 274 D HA -0.045 4.595 4.640 0.000 0.000 0.200 274 D C 1.786 178.019 176.300 -0.113 0.000 0.978 274 D CA 1.538 55.456 54.000 -0.136 0.000 0.833 274 D CB -0.297 40.410 40.800 -0.156 0.000 0.961 274 D HN 0.649 nan 8.370 nan 0.000 0.470 275 S N 0.185 115.825 115.700 -0.101 0.000 2.582 275 S HA 0.243 4.713 4.470 0.000 0.000 0.249 275 S C 0.558 175.124 174.600 -0.058 0.000 1.072 275 S CA -0.460 57.706 58.200 -0.056 0.000 1.115 275 S CB -0.538 62.650 63.200 -0.020 0.000 0.790 275 S HN 0.060 nan 8.310 nan 0.000 0.459 276 L N 1.451 122.584 121.223 -0.150 0.000 2.305 276 L HA 0.351 4.691 4.340 0.000 0.000 0.281 276 L C 1.480 178.344 176.870 -0.009 0.000 1.085 276 L CA -0.441 54.272 54.840 -0.213 0.000 0.813 276 L CB 1.496 43.129 42.059 -0.711 0.000 1.157 276 L HN 0.391 nan 8.230 nan 0.000 0.436 277 S N 1.353 117.166 115.700 0.188 0.000 2.398 277 S HA -0.092 4.378 4.470 0.000 0.000 0.220 277 S C 1.326 176.115 174.600 0.316 0.000 1.046 277 S CA 0.878 59.215 58.200 0.227 0.000 0.953 277 S CB 0.079 63.367 63.200 0.146 0.000 0.856 277 S HN 0.989 nan 8.310 nan 0.000 0.506 278 S N -1.305 114.595 115.700 0.333 0.000 3.018 278 S HA -0.136 4.334 4.470 0.000 0.000 0.274 278 S C 0.645 175.286 174.600 0.069 0.000 1.300 278 S CA 1.043 59.296 58.200 0.089 0.000 1.179 278 S CB -2.137 61.038 63.200 -0.042 0.000 1.427 278 S HN 0.670 nan 8.310 nan 0.000 0.668 279 V N -0.060 119.912 119.914 0.097 0.000 3.426 279 V HA 0.357 4.477 4.120 0.000 0.000 0.271 279 V C 0.705 176.835 176.094 0.061 0.000 1.530 279 V CA 0.887 63.225 62.300 0.064 0.000 1.021 279 V CB 1.021 32.879 31.823 0.057 0.000 0.824 279 V HN 0.678 nan 8.190 nan 0.000 0.432 280 T N 0.895 115.501 114.554 0.085 0.000 2.893 280 T HA 0.420 4.770 4.350 0.000 0.000 0.293 280 T C -0.499 174.266 174.700 0.108 0.000 1.027 280 T CA -0.561 61.582 62.100 0.070 0.000 0.988 280 T CB 1.789 70.695 68.868 0.062 0.000 1.043 280 T HN 0.035 nan 8.240 nan 0.000 0.461 281 N N 1.549 120.296 118.700 0.079 0.000 2.345 281 N HA 0.303 5.043 4.740 0.000 0.000 0.243 281 N C 0.250 175.836 175.510 0.126 0.000 1.246 281 N CA 0.006 53.136 53.050 0.132 0.000 0.863 281 N CB 0.389 38.886 38.487 0.017 0.000 1.096 281 N HN 0.876 nan 8.380 nan 0.000 0.446 282 A N 1.294 124.208 122.820 0.157 0.000 2.366 282 A HA 0.377 4.697 4.320 0.000 0.000 0.249 282 A C 0.240 177.883 177.584 0.098 0.000 1.084 282 A CA -0.077 52.027 52.037 0.112 0.000 0.794 282 A CB 0.251 19.305 19.000 0.088 0.000 1.034 282 A HN 0.542 nan 8.150 nan 0.000 0.491 283 T N 1.780 116.395 114.554 0.101 0.000 2.794 283 T HA 0.508 4.858 4.350 0.000 0.000 0.280 283 T C -0.207 174.579 174.700 0.143 0.000 0.987 283 T CA -0.105 62.061 62.100 0.110 0.000 0.993 283 T CB 0.931 69.870 68.868 0.118 0.000 0.939 283 T HN 0.518 nan 8.240 nan 0.000 0.449 284 S N 3.651 119.430 115.700 0.131 0.000 2.498 284 S HA 0.454 4.924 4.470 0.000 0.000 0.317 284 S C 0.013 174.776 174.600 0.272 0.000 1.090 284 S CA -0.844 57.460 58.200 0.173 0.000 1.089 284 S CB 0.436 63.655 63.200 0.031 0.000 0.997 284 S HN 0.478 nan 8.310 nan 0.000 0.470 285 I N 3.061 123.822 120.570 0.318 0.000 2.441 285 I HA 0.256 4.426 4.170 0.000 0.000 0.287 285 I C 0.741 177.033 176.117 0.292 0.000 1.049 285 I CA -0.185 61.310 61.300 0.325 0.000 1.381 285 I CB 0.195 38.448 38.000 0.422 0.000 1.409 285 I HN 0.673 nan 8.210 nan 0.000 0.523 286 Q N 5.314 125.246 119.800 0.220 0.000 2.306 286 Q HA 0.544 4.884 4.340 0.000 0.000 0.241 286 Q C -1.102 174.875 176.000 -0.039 0.000 0.948 286 Q CA -0.453 55.302 55.803 -0.081 0.000 0.886 286 Q CB 1.403 30.085 28.738 -0.094 0.000 1.227 286 Q HN 0.563 nan 8.270 nan 0.000 0.457 287 I N 2.799 123.308 120.570 -0.103 0.000 2.418 287 I HA 0.220 4.390 4.170 0.000 0.000 0.287 287 I C -0.028 176.054 176.117 -0.058 0.000 1.008 287 I CA -0.706 60.585 61.300 -0.015 0.000 1.104 287 I CB 1.956 39.979 38.000 0.038 0.000 1.264 287 I HN 0.687 nan 8.210 nan 0.000 0.438 288 T N 2.842 117.334 114.554 -0.103 0.000 2.868 288 T HA 0.629 4.979 4.350 0.000 0.000 0.292 288 T C 0.452 174.936 174.700 -0.358 0.000 1.028 288 T CA -0.796 61.187 62.100 -0.194 0.000 1.059 288 T CB 1.466 70.229 68.868 -0.175 0.000 0.991 288 T HN 0.598 nan 8.240 nan 0.000 0.531 289 A N 2.390 124.812 122.820 -0.663 0.000 2.386 289 A HA 0.562 4.882 4.320 0.000 0.000 0.246 289 A C -2.171 174.954 177.584 -0.766 0.000 1.089 289 A CA -1.411 49.839 52.037 -1.311 0.000 0.790 289 A CB -0.949 17.146 19.000 -1.508 0.000 1.042 289 A HN 0.704 nan 8.150 nan 0.000 0.497 290 P HA 0.257 nan 4.420 nan 0.000 0.272 290 P C 0.616 177.699 177.300 -0.361 0.000 1.240 290 P CA 0.527 63.387 63.100 -0.400 0.000 0.791 290 P CB 0.628 32.158 31.700 -0.284 0.000 0.978 291 A N 1.174 123.854 122.820 -0.234 0.000 1.930 291 A HA -0.146 4.174 4.320 0.000 0.000 0.217 291 A C 2.022 179.492 177.584 -0.189 0.000 1.175 291 A CA 2.028 53.945 52.037 -0.200 0.000 0.627 291 A CB -1.780 17.137 19.000 -0.139 0.000 0.815 291 A HN 0.579 nan 8.150 nan 0.000 0.443 292 S N 0.064 115.679 115.700 -0.141 0.000 2.400 292 S HA -0.196 4.274 4.470 0.000 0.000 0.232 292 S C 1.852 176.363 174.600 -0.148 0.000 1.025 292 S CA 1.690 59.826 58.200 -0.105 0.000 0.993 292 S CB -0.417 62.805 63.200 0.036 0.000 0.808 292 S HN 0.436 nan 8.310 nan 0.000 0.478 293 M N 1.195 120.659 119.600 -0.226 0.000 2.156 293 M HA 0.173 4.653 4.480 0.000 0.000 0.264 293 M C 2.162 178.146 176.300 -0.527 0.000 1.067 293 M CA 1.036 56.113 55.300 -0.371 0.000 1.131 293 M CB -1.460 30.803 32.600 -0.562 0.000 1.368 293 M HN 0.304 nan 8.290 nan 0.000 0.416 294 L N 0.529 121.467 121.223 -0.475 0.000 2.083 294 L HA -0.164 4.176 4.340 0.000 0.000 0.209 294 L C 2.163 178.902 176.870 -0.218 0.000 1.083 294 L CA 0.802 55.408 54.840 -0.390 0.000 0.752 294 L CB -0.850 41.033 42.059 -0.293 0.000 0.899 294 L HN 0.292 nan 8.230 nan 0.000 0.433 295 I N -2.083 118.380 120.570 -0.178 0.000 3.102 295 I HA 0.073 4.243 4.170 0.000 0.000 0.278 295 I C 0.969 177.035 176.117 -0.086 0.000 1.316 295 I CA 0.579 61.809 61.300 -0.117 0.000 1.425 295 I CB -1.067 36.865 38.000 -0.113 0.000 1.073 295 I HN 0.137 nan 8.210 nan 0.000 0.503 296 G N -0.361 108.391 108.800 -0.079 0.000 2.489 296 G HA2 0.214 4.174 3.960 0.000 0.000 0.305 296 G HA3 0.214 4.174 3.960 0.000 0.000 0.305 296 G C -1.817 173.124 174.900 0.069 0.000 1.311 296 G CA -0.769 44.319 45.100 -0.020 0.000 0.813 296 G HN 0.006 nan 8.290 nan 0.000 0.480 297 D N 1.286 121.714 120.400 0.046 0.000 2.472 297 D HA 0.428 5.069 4.640 0.000 0.000 0.237 297 D C 0.471 176.797 176.300 0.044 0.000 1.141 297 D CA 0.958 54.972 54.000 0.023 0.000 0.875 297 D CB 0.343 41.089 40.800 -0.090 0.000 1.192 297 D HN 0.575 nan 8.370 nan 0.000 0.450 298 H N -0.717 118.211 119.070 -0.237 0.000 2.948 298 H HA 0.446 5.002 4.556 0.000 0.000 0.315 298 H C -1.481 173.713 175.328 -0.223 0.000 1.360 298 H CA -0.832 55.087 56.048 -0.215 0.000 1.125 298 H CB 0.205 29.971 29.762 0.006 0.000 1.844 298 H HN 0.312 nan 8.280 nan 0.000 0.529 299 Y N 0.170 120.653 120.300 0.305 0.000 2.477 299 Y HA 0.394 4.944 4.550 0.000 0.000 0.347 299 Y C -0.313 175.788 175.900 0.334 0.000 0.981 299 Y CA -1.082 57.185 58.100 0.278 0.000 1.033 299 Y CB 2.129 40.627 38.460 0.063 0.000 1.245 299 Y HN 0.523 nan 8.280 nan 0.000 0.455 300 L N 3.571 125.057 121.223 0.439 0.000 2.290 300 L HA 0.448 4.788 4.340 0.000 0.000 0.284 300 L C 0.393 177.270 176.870 0.011 0.000 1.078 300 L CA -0.054 54.711 54.840 -0.126 0.000 0.815 300 L CB 0.460 42.339 42.059 -0.301 0.000 1.162 300 L HN 1.006 nan 8.230 nan 0.000 0.435 301 C N 0.673 119.845 119.300 -0.213 0.000 3.882 301 C HA 0.596 5.056 4.460 0.000 0.000 0.340 301 C C 0.058 174.904 174.990 -0.240 0.000 1.563 301 C CA -0.165 58.658 59.018 -0.324 0.000 1.870 301 C CB -1.059 26.545 27.740 -0.228 0.000 2.795 301 C HN 0.870 nan 8.230 nan 0.000 0.692 302 D N 0.449 120.724 120.400 -0.210 0.000 2.837 302 D HA 0.536 5.176 4.640 0.000 0.000 0.220 302 D C -1.072 174.988 176.300 -0.399 0.000 1.236 302 D CA -0.196 53.711 54.000 -0.156 0.000 0.838 302 D CB 2.495 43.193 40.800 -0.171 0.000 1.647 302 D HN 0.561 nan 8.370 nan 0.000 0.486 303 V N 0.507 120.114 119.914 -0.511 0.000 2.638 303 V HA 0.910 5.030 4.120 0.000 0.000 0.306 303 V C -1.270 174.474 176.094 -0.583 0.000 1.052 303 V CA -0.218 61.601 62.300 -0.801 0.000 0.885 303 V CB 1.887 32.913 31.823 -1.327 0.000 0.999 303 V HN 0.610 nan 8.190 nan 0.000 0.424 304 T N 5.297 119.577 114.554 -0.457 0.000 3.011 304 T HA 0.428 4.778 4.350 0.000 0.000 0.303 304 T C -0.975 173.598 174.700 -0.211 0.000 0.997 304 T CA -0.124 61.853 62.100 -0.206 0.000 1.007 304 T CB 0.936 69.749 68.868 -0.091 0.000 1.017 304 T HN 0.811 nan 8.240 nan 0.000 0.443 305 W N 1.970 123.223 121.300 -0.077 0.000 2.190 305 W HA 0.485 5.145 4.660 0.000 0.000 0.330 305 W C 1.080 177.520 176.519 -0.131 0.000 1.299 305 W CA -0.182 57.116 57.345 -0.078 0.000 1.215 305 W CB 0.622 30.106 29.460 0.041 0.000 1.147 305 W HN 0.850 nan 8.180 nan 0.000 0.563 306 A N 1.642 124.421 122.820 -0.069 0.000 1.988 306 A HA 0.228 4.548 4.320 0.000 0.000 0.201 306 A C 0.808 178.350 177.584 -0.070 0.000 1.410 306 A CA 1.312 53.080 52.037 -0.450 0.000 0.832 306 A CB -0.305 17.834 19.000 -1.435 0.000 0.981 306 A HN 0.508 nan 8.150 nan 0.000 0.492 307 T N -5.172 109.431 114.554 0.080 0.000 2.669 307 T HA 0.357 4.707 4.350 0.000 0.000 0.283 307 T C 0.233 175.094 174.700 0.270 0.000 1.019 307 T CA -0.348 61.847 62.100 0.159 0.000 1.039 307 T CB 0.786 69.727 68.868 0.121 0.000 1.374 307 T HN -0.041 nan 8.240 nan 0.000 0.523 308 Q N 0.378 120.305 119.800 0.212 0.000 2.291 308 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 308 Q C 0.789 177.018 176.000 0.381 0.000 0.976 308 Q CA 1.443 57.375 55.803 0.215 0.000 0.875 308 Q CB -0.057 28.774 28.738 0.156 0.000 0.927 308 Q HN 0.830 nan 8.270 nan 0.000 0.450 309 E N -0.271 120.172 120.200 0.405 0.000 2.876 309 E HA 0.208 4.559 4.350 0.000 0.000 0.208 309 E C -0.201 176.699 176.600 0.500 0.000 0.981 309 E CA -0.176 56.498 56.400 0.456 0.000 1.174 309 E CB 1.101 30.967 29.700 0.277 0.000 1.047 309 E HN -0.034 nan 8.360 nan 0.000 0.477 310 R N 1.634 122.419 120.500 0.474 0.000 2.575 310 R HA 0.589 4.929 4.340 0.000 0.000 0.293 310 R C -1.656 174.655 176.300 0.019 0.000 0.983 310 R CA -0.467 55.778 56.100 0.241 0.000 0.887 310 R CB 1.505 31.830 30.300 0.041 0.000 1.184 310 R HN 0.077 nan 8.270 nan 0.000 0.445 311 I N 2.780 123.184 120.570 -0.277 0.000 2.686 311 I HA 0.397 4.567 4.170 0.000 0.000 0.295 311 I C -1.208 174.583 176.117 -0.544 0.000 1.114 311 I CA -0.487 60.377 61.300 -0.727 0.000 1.038 311 I CB 2.355 39.463 38.000 -1.486 0.000 1.238 311 I HN 0.839 nan 8.210 nan 0.000 0.420 312 S N 7.431 122.809 115.700 -0.537 0.000 2.473 312 S HA 0.780 5.250 4.470 0.000 0.000 0.307 312 S C -1.279 173.019 174.600 -0.503 0.000 1.094 312 S CA -0.661 57.305 58.200 -0.390 0.000 1.070 312 S CB 1.721 64.807 63.200 -0.191 0.000 1.019 312 S HN 0.400 nan 8.310 nan 0.000 0.480 313 L N 2.367 123.305 121.223 -0.474 0.000 2.354 313 L HA 0.591 4.931 4.340 0.000 0.000 0.269 313 L C -0.202 176.389 176.870 -0.464 0.000 1.005 313 L CA -0.243 54.219 54.840 -0.630 0.000 0.819 313 L CB 1.905 43.519 42.059 -0.742 0.000 1.311 313 L HN 0.826 nan 8.230 nan 0.000 0.423 314 Q N 1.465 120.930 119.800 -0.558 0.000 2.309 314 Q HA 0.401 4.741 4.340 0.000 0.000 0.270 314 Q C -1.665 174.093 176.000 -0.404 0.000 1.023 314 Q CA -0.446 55.153 55.803 -0.341 0.000 0.758 314 Q CB 1.908 30.501 28.738 -0.242 0.000 1.247 314 Q HN 0.491 nan 8.270 nan 0.000 0.455 315 W N 2.555 123.808 121.300 -0.079 0.000 2.578 315 W HA 0.668 5.328 4.660 0.000 0.000 0.353 315 W C -0.676 175.870 176.519 0.046 0.000 1.088 315 W CA -0.646 56.705 57.345 0.010 0.000 1.235 315 W CB 1.016 30.482 29.460 0.009 0.000 1.362 315 W HN 0.398 nan 8.180 nan 0.000 0.592 316 L N 1.899 123.350 121.223 0.381 0.000 2.464 316 L HA 0.536 4.876 4.340 0.000 0.000 0.266 316 L C -0.416 176.645 176.870 0.319 0.000 0.965 316 L CA -1.102 53.912 54.840 0.291 0.000 0.833 316 L CB 1.499 43.699 42.059 0.235 0.000 1.296 316 L HN 0.416 nan 8.230 nan 0.000 0.405 317 R N 2.596 123.246 120.500 0.249 0.000 2.582 317 R HA 0.309 4.649 4.340 0.000 0.000 0.271 317 R C 1.042 177.412 176.300 0.118 0.000 1.078 317 R CA -0.327 55.871 56.100 0.164 0.000 1.127 317 R CB 0.681 31.068 30.300 0.145 0.000 1.038 317 R HN 0.660 nan 8.270 nan 0.000 0.500 318 R N 1.425 121.910 120.500 -0.025 0.000 2.105 318 R HA -0.082 4.258 4.340 0.000 0.000 0.239 318 R C 0.369 176.726 176.300 0.095 0.000 1.135 318 R CA 1.159 57.231 56.100 -0.048 0.000 0.967 318 R CB 0.158 30.385 30.300 -0.121 0.000 0.861 318 R HN 0.409 nan 8.270 nan 0.000 0.442 319 I N 2.757 123.364 120.570 0.061 0.000 2.347 319 I HA 0.004 4.174 4.170 0.000 0.000 0.294 319 I C 0.413 176.586 176.117 0.092 0.000 1.090 319 I CA 0.486 61.822 61.300 0.060 0.000 1.314 319 I CB 1.155 39.174 38.000 0.032 0.000 1.423 319 I HN 0.247 nan 8.210 nan 0.000 0.503 320 Q N 4.522 124.372 119.800 0.084 0.000 2.292 320 Q HA -0.019 4.321 4.340 0.000 0.000 0.247 320 Q C 0.505 176.573 176.000 0.113 0.000 0.911 320 Q CA 0.037 55.901 55.803 0.103 0.000 0.948 320 Q CB -0.185 28.573 28.738 0.034 0.000 1.093 320 Q HN 0.621 nan 8.270 nan 0.000 0.428 321 N N -0.743 118.025 118.700 0.114 0.000 2.234 321 N HA -0.014 4.726 4.740 0.000 0.000 0.227 321 N C -1.087 174.520 175.510 0.161 0.000 1.151 321 N CA -0.224 52.885 53.050 0.098 0.000 0.865 321 N CB 0.252 38.773 38.487 0.055 0.000 1.066 321 N HN 0.169 nan 8.380 nan 0.000 0.515 322 Y N 0.761 121.079 120.300 0.030 0.000 2.401 322 Y HA 0.535 5.085 4.550 0.000 0.000 0.330 322 Y C -1.216 174.712 175.900 0.047 0.000 1.071 322 Y CA -0.796 57.320 58.100 0.027 0.000 1.049 322 Y CB 1.473 39.941 38.460 0.013 0.000 1.239 322 Y HN 0.162 nan 8.280 nan 0.000 0.437 323 S N 4.254 119.792 115.700 -0.271 0.000 2.618 323 S HA 0.927 5.397 4.470 0.000 0.000 0.277 323 S C -2.227 172.236 174.600 -0.228 0.000 1.138 323 S CA -0.676 57.457 58.200 -0.112 0.000 0.844 323 S CB 1.959 65.142 63.200 -0.029 0.000 1.127 323 S HN 0.555 nan 8.310 nan 0.000 0.474 324 V N 2.584 122.472 119.914 -0.042 0.000 2.668 324 V HA 0.506 4.626 4.120 0.000 0.000 0.304 324 V C -0.624 175.498 176.094 0.048 0.000 1.071 324 V CA -0.566 61.721 62.300 -0.022 0.000 0.894 324 V CB 1.831 33.674 31.823 0.034 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.425 325 M N 3.750 123.349 119.600 -0.001 0.000 2.238 325 M HA 0.540 5.020 4.480 0.000 0.000 0.350 325 M C -1.145 175.165 176.300 0.017 0.000 1.138 325 M CA -0.170 55.111 55.300 -0.031 0.000 1.040 325 M CB 1.215 33.740 32.600 -0.125 0.000 1.639 325 M HN 0.633 nan 8.290 nan 0.000 0.451 326 D N 4.364 124.766 120.400 0.004 0.000 2.299 326 D HA 0.610 5.250 4.640 0.000 0.000 0.243 326 D C -1.175 175.089 176.300 -0.060 0.000 0.982 326 D CA -0.110 53.887 54.000 -0.005 0.000 0.924 326 D CB 1.910 42.724 40.800 0.024 0.000 1.238 326 D HN 0.597 nan 8.370 nan 0.000 0.484 327 I N 1.555 122.106 120.570 -0.031 0.000 2.468 327 I HA 0.259 4.429 4.170 0.000 0.000 0.285 327 I C -0.837 175.268 176.117 -0.021 0.000 1.039 327 I CA -0.533 60.740 61.300 -0.044 0.000 1.074 327 I CB 1.595 39.616 38.000 0.035 0.000 1.228 327 I HN 0.178 nan 8.210 nan 0.000 0.436 328 c N 3.704 122.280 118.600 -0.041 0.000 2.417 328 c HA 0.578 5.148 4.570 0.000 0.000 0.324 328 c C -0.330 173.912 174.090 0.252 0.000 1.240 328 c CA -0.669 55.713 56.329 0.088 0.000 1.632 328 c CB 1.203 43.763 42.510 0.082 0.000 2.241 328 c HN 0.570 nan 8.230 nan 0.000 0.499 329 D N 0.281 120.829 120.400 0.247 0.000 2.198 329 D HA 0.303 4.943 4.640 0.000 0.000 0.247 329 D C -0.595 175.705 176.300 -0.001 0.000 1.010 329 D CA -0.233 53.879 54.000 0.186 0.000 0.880 329 D CB 0.872 41.710 40.800 0.063 0.000 1.209 329 D HN 0.551 nan 8.370 nan 0.000 0.451 330 Y N 1.517 121.476 120.300 -0.569 0.000 2.526 330 Y HA 0.148 4.698 4.550 0.000 0.000 0.330 330 Y C 0.054 175.686 175.900 -0.447 0.000 1.156 330 Y CA -0.114 57.349 58.100 -1.062 0.000 1.419 330 Y CB 0.580 38.419 38.460 -1.036 0.000 1.250 330 Y HN 0.148 nan 8.280 nan 0.000 0.540 331 D N 5.349 125.151 120.400 -0.997 0.000 2.505 331 D HA 0.082 4.722 4.640 0.000 0.000 0.242 331 D C 1.028 176.790 176.300 -0.895 0.000 1.136 331 D CA -0.158 53.439 54.000 -0.672 0.000 0.954 331 D CB 0.354 40.935 40.800 -0.364 0.000 1.002 331 D HN 0.773 nan 8.370 nan 0.000 0.512 332 E N 1.684 121.388 120.200 -0.826 0.000 2.149 332 E HA -0.336 4.014 4.350 0.000 0.000 0.215 332 E C 1.678 178.117 176.600 -0.269 0.000 1.055 332 E CA 2.463 58.580 56.400 -0.471 0.000 0.870 332 E CB -0.243 29.357 29.700 -0.166 0.000 0.764 332 E HN 0.430 nan 8.360 nan 0.000 0.463 333 S N -0.841 114.735 115.700 -0.205 0.000 2.359 333 S HA -0.253 4.217 4.470 0.000 0.000 0.223 333 S C 2.137 176.668 174.600 -0.115 0.000 1.039 333 S CA 2.482 60.609 58.200 -0.121 0.000 1.042 333 S CB -0.843 62.299 63.200 -0.097 0.000 0.915 333 S HN 0.412 nan 8.310 nan 0.000 0.439 334 S N -0.797 114.805 115.700 -0.163 0.000 2.524 334 S HA 0.513 4.983 4.470 0.000 0.000 0.215 334 S C 1.695 176.244 174.600 -0.085 0.000 0.986 334 S CA 0.683 58.821 58.200 -0.104 0.000 0.911 334 S CB -0.140 63.003 63.200 -0.095 0.000 0.805 334 S HN 1.672 nan 8.310 nan 0.000 0.501 335 G N 1.823 110.517 108.800 -0.176 0.000 2.245 335 G HA2 -0.299 3.661 3.960 0.000 0.000 0.264 335 G HA3 -0.299 3.661 3.960 0.000 0.000 0.264 335 G C 0.374 175.336 174.900 0.103 0.000 0.985 335 G CA 0.446 45.549 45.100 0.005 0.000 0.625 335 G HN 0.629 nan 8.290 nan 0.000 0.536 336 R N -1.359 119.123 120.500 -0.030 0.000 2.524 336 R HA 0.605 4.945 4.340 0.000 0.000 0.236 336 R C -0.306 175.964 176.300 -0.050 0.000 1.240 336 R CA -0.535 55.617 56.100 0.086 0.000 1.111 336 R CB 0.451 30.805 30.300 0.090 0.000 1.436 336 R HN 0.186 nan 8.270 nan 0.000 0.573 337 W N 0.053 121.396 121.300 0.072 0.000 2.570 337 W HA 0.378 5.038 4.660 0.000 0.000 0.337 337 W C 0.017 176.530 176.519 -0.010 0.000 1.067 337 W CA -0.410 56.959 57.345 0.040 0.000 1.229 337 W CB 0.950 30.426 29.460 0.028 0.000 1.355 337 W HN 0.383 nan 8.180 nan 0.000 0.555 338 N N 2.108 120.915 118.700 0.178 0.000 2.491 338 N HA 0.435 5.175 4.740 0.000 0.000 0.274 338 N C -1.711 173.843 175.510 0.073 0.000 1.023 338 N CA -0.465 52.630 53.050 0.075 0.000 0.902 338 N CB 0.716 39.203 38.487 -0.001 0.000 1.267 338 N HN 0.398 nan 8.380 nan 0.000 0.503 339 c N 4.888 123.515 118.600 0.045 0.000 2.264 339 c HA 0.430 5.000 4.570 0.000 0.000 0.322 339 c C 0.598 174.686 174.090 -0.002 0.000 1.210 339 c CA -1.114 55.226 56.329 0.019 0.000 1.539 339 c CB -1.021 41.489 42.510 0.000 0.000 2.167 339 c HN 0.558 nan 8.230 nan 0.000 0.463 340 L N 2.971 124.194 121.223 -0.000 0.000 2.410 340 L HA 0.134 4.474 4.340 0.000 0.000 0.273 340 L C 1.321 178.176 176.870 -0.025 0.000 1.144 340 L CA -0.082 54.751 54.840 -0.012 0.000 0.863 340 L CB 0.665 42.721 42.059 -0.005 0.000 1.140 340 L HN 0.595 nan 8.230 nan 0.000 0.463 341 V N 2.939 122.831 119.914 -0.036 0.000 3.078 341 V HA -0.236 3.884 4.120 0.000 0.000 0.265 341 V C 2.254 178.311 176.094 -0.061 0.000 1.122 341 V CA 1.707 63.977 62.300 -0.049 0.000 1.141 341 V CB -0.594 31.200 31.823 -0.048 0.000 0.735 341 V HN 1.009 nan 8.190 nan 0.000 0.498 342 A N 0.473 123.263 122.820 -0.050 0.000 2.067 342 A HA -0.125 4.195 4.320 0.000 0.000 0.219 342 A C 2.159 179.694 177.584 -0.081 0.000 1.158 342 A CA 1.201 53.204 52.037 -0.057 0.000 0.661 342 A CB -0.281 18.700 19.000 -0.033 0.000 0.801 342 A HN 0.573 nan 8.150 nan 0.000 0.452 343 R N -0.527 119.935 120.500 -0.063 0.000 2.546 343 R HA 0.204 4.544 4.340 0.000 0.000 0.320 343 R C 0.158 176.402 176.300 -0.093 0.000 1.021 343 R CA -0.235 55.838 56.100 -0.046 0.000 1.088 343 R CB 0.300 30.632 30.300 0.053 0.000 1.278 343 R HN 0.567 nan 8.270 nan 0.000 0.557 344 Q N 0.327 120.027 119.800 -0.167 0.000 2.500 344 Q HA 0.123 4.463 4.340 0.000 0.000 0.215 344 Q C -0.693 175.082 176.000 -0.375 0.000 1.062 344 Q CA 0.490 56.205 55.803 -0.146 0.000 0.996 344 Q CB 0.719 29.399 28.738 -0.096 0.000 1.239 344 Q HN 0.269 nan 8.270 nan 0.000 0.578 345 H N -0.383 118.658 119.070 -0.048 0.000 3.179 345 H HA 0.339 4.895 4.556 0.000 0.000 0.331 345 H C -0.984 174.278 175.328 -0.109 0.000 1.013 345 H CA -0.272 55.736 56.048 -0.067 0.000 1.430 345 H CB 0.832 30.526 29.762 -0.112 0.000 1.895 345 H HN 0.386 nan 8.280 nan 0.000 0.468 346 I N 1.877 122.443 120.570 -0.007 0.000 2.664 346 I HA 0.380 4.550 4.170 0.000 0.000 0.308 346 I C -0.017 176.026 176.117 -0.123 0.000 0.984 346 I CA -0.397 60.814 61.300 -0.148 0.000 1.213 346 I CB 1.903 39.807 38.000 -0.160 0.000 1.379 346 I HN 0.599 nan 8.210 nan 0.000 0.501 347 E N 5.969 126.027 120.200 -0.238 0.000 2.311 347 E HA 0.550 4.900 4.350 0.000 0.000 0.281 347 E C -1.430 175.060 176.600 -0.183 0.000 0.905 347 E CA -0.585 55.735 56.400 -0.134 0.000 0.778 347 E CB 1.833 31.479 29.700 -0.090 0.000 1.240 347 E HN 0.633 nan 8.360 nan 0.000 0.410 348 M N 1.043 120.593 119.600 -0.084 0.000 2.683 348 M HA 0.706 5.186 4.480 0.000 0.000 0.274 348 M C -1.343 174.955 176.300 -0.004 0.000 1.272 348 M CA -0.896 54.386 55.300 -0.030 0.000 0.833 348 M CB 2.206 34.829 32.600 0.039 0.000 1.708 348 M HN 0.289 nan 8.290 nan 0.000 0.463 349 S N -0.983 114.718 115.700 0.002 0.000 2.564 349 S HA 0.751 5.221 4.470 0.000 0.000 0.274 349 S C -0.191 174.391 174.600 -0.030 0.000 1.124 349 S CA 0.154 58.334 58.200 -0.034 0.000 0.869 349 S CB 2.105 65.240 63.200 -0.108 0.000 1.105 349 S HN 0.920 nan 8.310 nan 0.000 0.472 350 T N -0.573 113.956 114.554 -0.042 0.000 2.975 350 T HA 0.130 4.480 4.350 0.000 0.000 0.261 350 T C 1.356 176.018 174.700 -0.063 0.000 0.984 350 T CA 0.575 62.653 62.100 -0.037 0.000 0.911 350 T CB -0.261 68.600 68.868 -0.012 0.000 1.127 350 T HN 0.611 nan 8.240 nan 0.000 0.514 351 T N 0.152 114.654 114.554 -0.088 0.000 3.014 351 T HA 0.503 4.853 4.350 0.000 0.000 0.263 351 T C 1.358 175.865 174.700 -0.320 0.000 1.078 351 T CA 0.651 62.695 62.100 -0.094 0.000 1.135 351 T CB 0.094 68.995 68.868 0.055 0.000 0.895 351 T HN 0.622 nan 8.240 nan 0.000 0.480 352 G N 0.500 108.932 108.800 -0.612 0.000 2.929 352 G HA2 0.475 4.435 3.960 0.000 0.000 0.123 352 G HA3 0.475 4.435 3.960 0.000 0.000 0.123 352 G C -1.756 172.891 174.900 -0.422 0.000 1.212 352 G CA -0.495 44.145 45.100 -0.767 0.000 1.238 352 G HN 0.484 nan 8.290 nan 0.000 0.617 353 W N 0.235 121.259 121.300 -0.460 0.000 2.655 353 W HA 0.789 5.449 4.660 0.000 0.000 0.358 353 W C -0.532 175.923 176.519 -0.106 0.000 1.100 353 W CA -1.428 55.785 57.345 -0.219 0.000 1.195 353 W CB 1.192 30.512 29.460 -0.234 0.000 1.403 353 W HN 0.277 nan 8.180 nan 0.000 0.589 354 V N 3.760 123.737 119.914 0.105 0.000 2.488 354 V HA 0.631 4.751 4.120 0.000 0.000 0.277 354 V C 0.862 177.031 176.094 0.126 0.000 1.046 354 V CA 0.759 63.085 62.300 0.042 0.000 0.986 354 V CB -0.130 31.717 31.823 0.040 0.000 0.989 354 V HN 1.308 nan 8.190 nan 0.000 0.475 355 G N 5.252 114.075 108.800 0.037 0.000 2.746 355 G HA2 -0.176 3.784 3.960 0.000 0.000 0.685 355 G HA3 -0.176 3.784 3.960 0.000 0.000 0.685 355 G C 0.344 175.312 174.900 0.114 0.000 1.350 355 G CA 0.045 45.191 45.100 0.077 0.000 0.837 355 G HN 0.607 nan 8.290 nan 0.000 0.564 356 R N -0.596 119.940 120.500 0.060 0.000 2.062 356 R HA 0.078 4.418 4.340 0.000 0.000 0.231 356 R C 2.012 178.181 176.300 -0.218 0.000 1.136 356 R CA 2.289 58.339 56.100 -0.085 0.000 0.948 356 R CB -0.131 30.091 30.300 -0.131 0.000 0.845 356 R HN 0.509 nan 8.270 nan 0.000 0.430 357 F N -1.020 119.072 119.950 0.237 0.000 2.640 357 F HA 0.240 4.767 4.527 0.000 0.000 0.285 357 F C 0.754 176.574 175.800 0.034 0.000 1.031 357 F CA -0.352 57.725 58.000 0.127 0.000 1.240 357 F CB 0.516 39.581 39.000 0.110 0.000 1.011 357 F HN -0.139 nan 8.300 nan 0.000 0.656 358 R N -0.330 120.299 120.500 0.215 0.000 2.781 358 R HA 0.533 4.873 4.340 0.000 0.000 0.269 358 R C -3.200 173.151 176.300 0.085 0.000 1.025 358 R CA -2.065 54.085 56.100 0.084 0.000 0.914 358 R CB 0.152 30.451 30.300 -0.000 0.000 1.236 358 R HN -0.322 nan 8.270 nan 0.000 0.465 359 P HA -0.031 nan 4.420 nan 0.000 0.266 359 P C -0.315 176.998 177.300 0.021 0.000 1.193 359 P CA 0.146 63.256 63.100 0.017 0.000 0.770 359 P CB 0.570 32.253 31.700 -0.028 0.000 0.836 360 S N 1.111 116.831 115.700 0.033 0.000 2.596 360 S HA 0.278 4.748 4.470 0.000 0.000 0.260 360 S C -0.098 174.503 174.600 0.002 0.000 1.336 360 S CA -0.621 57.612 58.200 0.055 0.000 0.993 360 S CB 0.052 63.305 63.200 0.089 0.000 0.923 360 S HN 0.384 nan 8.310 nan 0.000 0.567 361 E N 0.564 120.774 120.200 0.017 0.000 2.204 361 E HA 0.532 4.883 4.350 0.000 0.000 0.276 361 E C -2.761 173.765 176.600 -0.123 0.000 0.974 361 E CA -2.671 53.680 56.400 -0.083 0.000 0.815 361 E CB -0.087 29.555 29.700 -0.097 0.000 1.119 361 E HN 0.371 nan 8.360 nan 0.000 0.393 362 P HA 0.092 nan 4.420 nan 0.000 0.275 362 P C -0.722 176.398 177.300 -0.300 0.000 1.228 362 P CA -0.125 62.796 63.100 -0.299 0.000 0.786 362 P CB 0.576 31.775 31.700 -0.834 0.000 0.927 363 H N 2.291 121.377 119.070 0.027 0.000 2.762 363 H HA 0.283 4.839 4.556 0.000 0.000 0.310 363 H C -0.022 175.431 175.328 0.208 0.000 1.004 363 H CA -0.339 55.806 56.048 0.162 0.000 1.267 363 H CB 0.224 30.110 29.762 0.206 0.000 1.437 363 H HN 0.307 nan 8.280 nan 0.000 0.498 364 F N 1.596 121.740 119.950 0.325 0.000 2.403 364 F HA 0.078 4.605 4.527 0.000 0.000 0.320 364 F C 1.635 177.636 175.800 0.334 0.000 1.176 364 F CA -0.312 57.884 58.000 0.328 0.000 1.206 364 F CB 0.847 39.968 39.000 0.201 0.000 1.235 364 F HN 0.343 nan 8.300 nan 0.000 0.565 365 T N -0.179 114.688 114.554 0.521 0.000 2.816 365 T HA 0.199 4.549 4.350 0.000 0.000 0.282 365 T C 0.990 175.880 174.700 0.317 0.000 0.993 365 T CA -0.799 61.535 62.100 0.390 0.000 0.994 365 T CB 0.896 69.977 68.868 0.354 0.000 1.025 365 T HN 0.561 nan 8.240 nan 0.000 0.529 366 L N 1.259 122.626 121.223 0.239 0.000 2.013 366 L HA -0.129 4.211 4.340 0.000 0.000 0.212 366 L C 2.152 179.126 176.870 0.172 0.000 1.073 366 L CA 2.472 57.425 54.840 0.189 0.000 0.753 366 L CB -0.925 41.224 42.059 0.150 0.000 0.890 366 L HN 0.936 nan 8.230 nan 0.000 0.432 367 D N -1.265 119.237 120.400 0.170 0.000 2.317 367 D HA 0.036 4.676 4.640 0.000 0.000 0.211 367 D C 1.615 178.009 176.300 0.157 0.000 0.966 367 D CA 0.846 54.934 54.000 0.146 0.000 0.876 367 D CB -0.577 40.301 40.800 0.131 0.000 0.927 367 D HN 0.437 nan 8.370 nan 0.000 0.519 368 G N 0.448 109.378 108.800 0.217 0.000 2.147 368 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 368 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 368 G C 0.676 175.745 174.900 0.281 0.000 1.005 368 G CA 0.321 45.560 45.100 0.233 0.000 0.713 368 G HN 0.409 nan 8.290 nan 0.000 0.515 369 N N -0.139 118.721 118.700 0.266 0.000 2.254 369 N HA 0.145 4.885 4.740 0.000 0.000 0.190 369 N C 0.783 176.422 175.510 0.214 0.000 1.107 369 N CA 1.022 54.205 53.050 0.221 0.000 0.869 369 N CB 0.607 39.179 38.487 0.142 0.000 0.983 369 N HN 0.783 nan 8.380 nan 0.000 0.487 370 S N 0.074 115.925 115.700 0.252 0.000 2.618 370 S HA 0.782 5.252 4.470 0.000 0.000 0.277 370 S C -0.893 173.799 174.600 0.153 0.000 1.138 370 S CA -0.962 57.258 58.200 0.033 0.000 0.844 370 S CB 1.885 64.966 63.200 -0.197 0.000 1.127 370 S HN 0.172 nan 8.310 nan 0.000 0.474 371 F N -1.898 117.877 119.950 -0.291 0.000 2.668 371 F HA 0.810 5.337 4.527 0.000 0.000 0.309 371 F C -2.121 173.525 175.800 -0.256 0.000 1.117 371 F CA -1.539 56.259 58.000 -0.337 0.000 0.951 371 F CB 0.653 39.073 39.000 -0.966 0.000 1.323 371 F HN 0.569 nan 8.300 nan 0.000 0.451 372 Y N 1.259 121.697 120.300 0.230 0.000 2.387 372 Y HA 0.691 5.241 4.550 0.000 0.000 0.336 372 Y C -0.214 175.852 175.900 0.277 0.000 1.067 372 Y CA -0.871 57.355 58.100 0.210 0.000 1.114 372 Y CB 2.032 40.575 38.460 0.139 0.000 1.208 372 Y HN 0.746 nan 8.280 nan 0.000 0.458 373 K N 2.766 123.399 120.400 0.388 0.000 2.543 373 K HA 0.508 4.828 4.320 0.000 0.000 0.255 373 K C -1.777 174.975 176.600 0.254 0.000 0.934 373 K CA -0.495 55.981 56.287 0.316 0.000 0.810 373 K CB 1.331 33.990 32.500 0.265 0.000 1.315 373 K HN 0.734 nan 8.250 nan 0.000 0.433 374 I N 6.861 127.552 120.570 0.202 0.000 2.406 374 I HA 0.186 4.356 4.170 0.000 0.000 0.293 374 I C 0.281 176.492 176.117 0.156 0.000 1.101 374 I CA -0.282 61.114 61.300 0.160 0.000 1.334 374 I CB -0.196 37.880 38.000 0.125 0.000 1.421 374 I HN 0.511 nan 8.210 nan 0.000 0.513 375 I N 2.780 123.477 120.570 0.211 0.000 2.957 375 I HA 0.571 4.741 4.170 0.000 0.000 0.310 375 I C -0.003 176.248 176.117 0.224 0.000 1.063 375 I CA -0.582 60.839 61.300 0.202 0.000 1.033 375 I CB 2.155 40.289 38.000 0.224 0.000 1.230 375 I HN 0.349 nan 8.210 nan 0.000 0.447 376 S N 2.829 118.604 115.700 0.125 0.000 2.513 376 S HA 0.334 4.804 4.470 0.000 0.000 0.276 376 S C -0.180 174.468 174.600 0.080 0.000 1.254 376 S CA -0.655 57.562 58.200 0.027 0.000 1.053 376 S CB -0.160 62.996 63.200 -0.074 0.000 0.958 376 S HN 0.946 nan 8.310 nan 0.000 0.491 377 N N 2.788 121.431 118.700 -0.095 0.000 2.495 377 N HA 0.214 4.954 4.740 0.000 0.000 0.294 377 N C 0.738 176.173 175.510 -0.125 0.000 1.276 377 N CA -0.633 52.253 53.050 -0.273 0.000 0.973 377 N CB 0.150 38.063 38.487 -0.957 0.000 1.143 377 N HN 0.576 nan 8.380 nan 0.000 0.589 378 E N -0.152 119.970 120.200 -0.131 0.000 2.114 378 E HA -0.235 4.115 4.350 0.000 0.000 0.199 378 E C 1.041 177.604 176.600 -0.062 0.000 1.008 378 E CA 1.824 58.185 56.400 -0.064 0.000 0.810 378 E CB -0.118 29.542 29.700 -0.066 0.000 0.739 378 E HN 0.699 nan 8.360 nan 0.000 0.456 379 E N -1.443 118.718 120.200 -0.065 0.000 2.444 379 E HA 0.151 4.501 4.350 0.000 0.000 0.191 379 E C 0.701 177.282 176.600 -0.032 0.000 1.041 379 E CA 0.535 56.928 56.400 -0.011 0.000 0.883 379 E CB 0.367 30.095 29.700 0.045 0.000 1.024 379 E HN 0.285 nan 8.360 nan 0.000 0.470 380 G N 0.942 109.675 108.800 -0.112 0.000 2.149 380 G HA2 -0.282 3.678 3.960 0.000 0.000 0.235 380 G HA3 -0.282 3.678 3.960 0.000 0.000 0.235 380 G C -0.570 174.065 174.900 -0.443 0.000 1.018 380 G CA -0.028 44.911 45.100 -0.268 0.000 0.728 380 G HN 0.295 nan 8.290 nan 0.000 0.508 381 Y N -0.434 119.747 120.300 -0.199 0.000 2.387 381 Y HA 0.659 5.209 4.550 0.000 0.000 0.336 381 Y C 1.087 176.855 175.900 -0.220 0.000 1.067 381 Y CA -0.935 57.040 58.100 -0.208 0.000 1.114 381 Y CB 1.216 39.574 38.460 -0.171 0.000 1.208 381 Y HN 0.108 nan 8.280 nan 0.000 0.458 382 R N 3.491 123.874 120.500 -0.195 0.000 2.210 382 R HA 0.301 4.641 4.340 0.000 0.000 0.338 382 R C -0.859 175.187 176.300 -0.424 0.000 1.062 382 R CA -0.083 55.901 56.100 -0.195 0.000 0.902 382 R CB 0.087 30.308 30.300 -0.132 0.000 1.050 382 R HN 0.663 nan 8.270 nan 0.000 0.461 383 H N 1.840 120.852 119.070 -0.096 0.000 2.949 383 H HA 0.328 4.884 4.556 0.000 0.000 0.356 383 H C -0.109 175.271 175.328 0.086 0.000 1.212 383 H CA -0.960 55.012 56.048 -0.126 0.000 1.136 383 H CB 1.716 31.277 29.762 -0.335 0.000 1.869 383 H HN 0.298 nan 8.280 nan 0.000 0.556 384 I N 1.354 122.004 120.570 0.134 0.000 2.471 384 I HA 0.013 4.183 4.170 0.000 0.000 0.286 384 I C 0.436 176.629 176.117 0.126 0.000 1.079 384 I CA 0.235 61.589 61.300 0.089 0.000 1.398 384 I CB 0.294 38.242 38.000 -0.087 0.000 1.403 384 I HN 0.172 nan 8.210 nan 0.000 0.530 385 c N 6.699 125.324 118.600 0.041 0.000 2.470 385 c HA 0.478 5.048 4.570 0.000 0.000 0.341 385 c C -0.557 173.404 174.090 -0.216 0.000 1.190 385 c CA -0.421 55.718 56.329 -0.316 0.000 1.904 385 c CB 1.321 43.462 42.510 -0.615 0.000 2.354 385 c HN 0.645 nan 8.230 nan 0.000 0.509 386 Y N 3.387 123.299 120.300 -0.647 0.000 2.376 386 Y HA 0.648 5.198 4.550 0.000 0.000 0.326 386 Y C -1.138 174.274 175.900 -0.813 0.000 0.970 386 Y CA -1.130 56.560 58.100 -0.684 0.000 1.248 386 Y CB 0.148 38.312 38.460 -0.493 0.000 1.117 386 Y HN 0.591 nan 8.280 nan 0.000 0.476 387 F N 3.747 122.932 119.950 -1.274 0.000 2.432 387 F HA 0.521 5.048 4.527 0.000 0.000 0.329 387 F C -0.022 175.077 175.800 -1.169 0.000 1.076 387 F CA -0.761 56.507 58.000 -1.220 0.000 1.018 387 F CB 1.314 39.327 39.000 -1.646 0.000 1.201 387 F HN 0.279 nan 8.300 nan 0.000 0.489 388 Q N 2.859 122.378 119.800 -0.469 0.000 2.245 388 Q HA 0.323 4.663 4.340 0.000 0.000 0.256 388 Q C 1.275 177.309 176.000 0.056 0.000 0.942 388 Q CA -0.395 55.266 55.803 -0.237 0.000 0.896 388 Q CB 1.863 30.506 28.738 -0.158 0.000 1.272 388 Q HN 0.853 nan 8.270 nan 0.000 0.442 389 I N -1.281 119.399 120.570 0.182 0.000 2.423 389 I HA -0.213 3.957 4.170 0.000 0.000 0.254 389 I C 0.165 176.484 176.117 0.338 0.000 1.151 389 I CA 1.579 63.119 61.300 0.400 0.000 1.421 389 I CB -0.173 38.038 38.000 0.351 0.000 1.079 389 I HN 0.378 nan 8.210 nan 0.000 0.431 390 D N 0.288 120.783 120.400 0.158 0.000 2.670 390 D HA 0.279 4.919 4.640 0.000 0.000 0.255 390 D C -0.075 176.230 176.300 0.010 0.000 1.286 390 D CA -0.386 53.644 54.000 0.050 0.000 0.830 390 D CB 0.227 41.047 40.800 0.032 0.000 1.065 390 D HN 0.230 nan 8.370 nan 0.000 0.486 391 K N 0.644 121.076 120.400 0.054 0.000 2.545 391 K HA 0.233 4.553 4.320 0.000 0.000 0.252 391 K C 0.857 177.502 176.600 0.075 0.000 0.948 391 K CA -0.745 55.555 56.287 0.022 0.000 0.827 391 K CB 1.869 34.361 32.500 -0.014 0.000 1.128 391 K HN -0.095 nan 8.250 nan 0.000 0.429 392 K N 2.054 122.455 120.400 0.002 0.000 2.059 392 K HA -0.144 4.176 4.320 0.000 0.000 0.212 392 K C -0.273 176.382 176.600 0.091 0.000 1.050 392 K CA 1.729 58.035 56.287 0.031 0.000 0.927 392 K CB 0.117 32.609 32.500 -0.012 0.000 0.714 392 K HN 0.541 nan 8.250 nan 0.000 0.447 393 D N 0.460 120.850 120.400 -0.016 0.000 2.255 393 D HA 0.133 4.773 4.640 0.000 0.000 0.249 393 D C -0.172 175.948 176.300 -0.300 0.000 1.078 393 D CA -0.282 53.645 54.000 -0.122 0.000 0.896 393 D CB 1.326 42.058 40.800 -0.113 0.000 1.194 393 D HN 0.413 nan 8.370 nan 0.000 0.429 394 c N -0.186 118.083 118.600 -0.552 0.000 2.668 394 c HA 0.856 5.426 4.570 0.000 0.000 0.355 394 c C -0.024 173.699 174.090 -0.611 0.000 1.277 394 c CA -0.619 55.185 56.329 -0.875 0.000 1.787 394 c CB 1.251 42.650 42.510 -1.850 0.000 2.233 394 c HN 0.488 nan 8.230 nan 0.000 0.495 395 T N 1.532 115.772 114.554 -0.524 0.000 2.792 395 T HA 0.516 4.866 4.350 0.000 0.000 0.280 395 T C -0.711 173.774 174.700 -0.358 0.000 0.990 395 T CA 0.101 62.020 62.100 -0.303 0.000 0.960 395 T CB 0.550 69.385 68.868 -0.055 0.000 0.939 395 T HN 0.480 nan 8.240 nan 0.000 0.439 396 F N 2.849 122.687 119.950 -0.186 0.000 2.484 396 F HA 0.260 4.787 4.527 0.000 0.000 0.360 396 F C 1.610 177.257 175.800 -0.254 0.000 1.101 396 F CA -0.836 57.040 58.000 -0.207 0.000 1.251 396 F CB 0.440 39.317 39.000 -0.205 0.000 1.132 396 F HN 0.588 nan 8.300 nan 0.000 0.570 397 I N -0.613 119.857 120.570 -0.167 0.000 4.082 397 I HA 0.253 4.423 4.170 0.000 0.000 0.337 397 I C 0.106 176.048 176.117 -0.292 0.000 1.352 397 I CA 0.110 61.108 61.300 -0.503 0.000 1.097 397 I CB 0.216 37.606 38.000 -1.016 0.000 1.048 397 I HN 0.503 nan 8.210 nan 0.000 0.393 398 T N 0.101 114.545 114.554 -0.184 0.000 2.909 398 T HA 0.707 5.057 4.350 0.000 0.000 0.299 398 T C -0.736 173.606 174.700 -0.596 0.000 1.073 398 T CA -0.640 61.332 62.100 -0.214 0.000 0.999 398 T CB 2.588 71.417 68.868 -0.065 0.000 1.098 398 T HN 0.459 nan 8.240 nan 0.000 0.477 399 K N 0.599 120.553 120.400 -0.743 0.000 2.495 399 K HA 0.969 5.289 4.320 0.000 0.000 0.268 399 K C -0.176 175.819 176.600 -1.009 0.000 1.008 399 K CA -0.972 54.582 56.287 -1.222 0.000 0.882 399 K CB 1.622 33.714 32.500 -0.680 0.000 1.443 399 K HN 1.353 nan 8.250 nan 0.000 0.447 400 G N -0.576 107.629 108.800 -0.992 0.000 2.361 400 G HA2 0.122 4.082 3.960 0.000 0.000 0.305 400 G HA3 0.122 4.082 3.960 0.000 0.000 0.305 400 G C -1.243 173.121 174.900 -0.893 0.000 1.367 400 G CA -0.859 43.808 45.100 -0.721 0.000 0.951 400 G HN 0.447 nan 8.290 nan 0.000 0.615 401 T N 2.524 116.731 114.554 -0.579 0.000 3.783 401 T HA 0.512 4.862 4.350 0.000 0.000 0.262 401 T C -0.348 174.211 174.700 -0.235 0.000 1.381 401 T CA 0.527 62.163 62.100 -0.774 0.000 1.155 401 T CB -1.105 67.555 68.868 -0.346 0.000 1.256 401 T HN 0.695 nan 8.240 nan 0.000 0.807 402 W N -0.009 121.150 121.300 -0.235 0.000 2.929 402 W HA 0.515 5.175 4.660 0.000 0.000 0.363 402 W C -1.509 175.011 176.519 0.002 0.000 1.168 402 W CA -0.976 56.376 57.345 0.011 0.000 1.163 402 W CB 0.649 30.094 29.460 -0.026 0.000 1.455 402 W HN 0.002 nan 8.180 nan 0.000 0.568 403 E N 0.936 121.303 120.200 0.278 0.000 2.288 403 E HA 0.449 4.800 4.350 0.000 0.000 0.268 403 E C -0.955 175.740 176.600 0.158 0.000 0.885 403 E CA -1.183 55.190 56.400 -0.044 0.000 0.767 403 E CB 3.373 33.100 29.700 0.045 0.000 1.220 403 E HN 0.178 nan 8.360 nan 0.000 0.427 404 V N 3.876 123.762 119.914 -0.046 0.000 2.508 404 V HA -0.022 4.098 4.120 0.000 0.000 0.281 404 V C 1.246 177.439 176.094 0.165 0.000 1.041 404 V CA 0.007 62.393 62.300 0.144 0.000 1.016 404 V CB 0.436 32.268 31.823 0.014 0.000 0.984 404 V HN 0.697 nan 8.190 nan 0.000 0.478 405 I N 3.170 123.868 120.570 0.213 0.000 2.400 405 I HA 0.232 4.402 4.170 0.000 0.000 0.248 405 I C 1.150 177.391 176.117 0.206 0.000 1.109 405 I CA 1.199 62.621 61.300 0.204 0.000 1.425 405 I CB -0.895 37.171 38.000 0.110 0.000 1.094 405 I HN 0.780 nan 8.210 nan 0.000 0.425 406 G N 0.307 109.229 108.800 0.203 0.000 2.616 406 G HA2 0.521 4.481 3.960 0.000 0.000 0.294 406 G HA3 0.521 4.481 3.960 0.000 0.000 0.294 406 G C -1.287 173.720 174.900 0.178 0.000 1.489 406 G CA -0.586 44.631 45.100 0.195 0.000 0.836 406 G HN -0.047 nan 8.290 nan 0.000 0.527 407 I N 1.470 122.103 120.570 0.105 0.000 2.342 407 I HA 0.278 4.448 4.170 0.000 0.000 0.291 407 I C 0.613 176.673 176.117 -0.094 0.000 1.010 407 I CA -0.546 60.710 61.300 -0.074 0.000 1.308 407 I CB 1.754 39.514 38.000 -0.399 0.000 1.400 407 I HN 0.503 nan 8.210 nan 0.000 0.488 408 E N 4.752 124.936 120.200 -0.027 0.000 2.372 408 E HA 0.356 4.706 4.350 0.000 0.000 0.201 408 E C 0.087 176.612 176.600 -0.125 0.000 0.938 408 E CA 0.193 56.613 56.400 0.034 0.000 0.944 408 E CB 1.010 30.812 29.700 0.169 0.000 0.937 408 E HN 0.675 nan 8.360 nan 0.000 0.495 409 A N 0.548 123.215 122.820 -0.255 0.000 2.608 409 A HA 0.661 4.981 4.320 0.000 0.000 0.292 409 A C -1.770 175.728 177.584 -0.143 0.000 1.066 409 A CA -0.579 51.254 52.037 -0.340 0.000 0.676 409 A CB 1.240 19.623 19.000 -1.029 0.000 1.277 409 A HN 0.072 nan 8.150 nan 0.000 0.413 410 L N 2.340 123.528 121.223 -0.059 0.000 2.446 410 L HA 0.582 4.922 4.340 0.000 0.000 0.268 410 L C 0.235 177.139 176.870 0.057 0.000 0.975 410 L CA -0.217 54.625 54.840 0.003 0.000 0.848 410 L CB 1.973 44.071 42.059 0.065 0.000 1.225 410 L HN 1.137 nan 8.230 nan 0.000 0.410 411 T N -0.926 113.677 114.554 0.082 0.000 2.910 411 T HA 0.204 4.554 4.350 0.000 0.000 0.279 411 T C 1.313 176.061 174.700 0.081 0.000 0.989 411 T CA 0.076 62.241 62.100 0.108 0.000 0.968 411 T CB 1.615 70.588 68.868 0.174 0.000 1.135 411 T HN 0.589 nan 8.240 nan 0.000 0.562 412 S N -0.033 115.715 115.700 0.081 0.000 2.442 412 S HA -0.092 4.378 4.470 0.000 0.000 0.236 412 S C 0.652 175.254 174.600 0.003 0.000 1.007 412 S CA 1.333 59.570 58.200 0.061 0.000 0.965 412 S CB -0.774 62.463 63.200 0.060 0.000 0.773 412 S HN 0.939 nan 8.310 nan 0.000 0.504 413 D N -1.897 118.476 120.400 -0.045 0.000 2.651 413 D HA 0.260 4.901 4.640 0.000 0.000 0.280 413 D C -0.669 175.344 176.300 -0.477 0.000 1.496 413 D CA -0.483 53.384 54.000 -0.220 0.000 0.792 413 D CB -0.668 39.983 40.800 -0.249 0.000 1.144 413 D HN 0.496 nan 8.370 nan 0.000 0.470 414 Y N 0.056 120.285 120.300 -0.119 0.000 2.479 414 Y HA 0.424 4.974 4.550 0.000 0.000 0.338 414 Y C -1.315 174.382 175.900 -0.338 0.000 1.055 414 Y CA -1.242 56.697 58.100 -0.268 0.000 1.023 414 Y CB 2.553 40.796 38.460 -0.362 0.000 1.287 414 Y HN -0.019 nan 8.280 nan 0.000 0.447 415 L N 4.583 125.671 121.223 -0.225 0.000 2.319 415 L HA 0.580 4.920 4.340 0.000 0.000 0.281 415 L C -1.677 175.043 176.870 -0.250 0.000 1.005 415 L CA -0.546 54.136 54.840 -0.265 0.000 0.828 415 L CB 0.588 42.415 42.059 -0.388 0.000 1.227 415 L HN 0.590 nan 8.230 nan 0.000 0.415 416 Y N 5.005 125.232 120.300 -0.122 0.000 2.323 416 Y HA 0.500 5.050 4.550 0.000 0.000 0.331 416 Y C -0.238 175.668 175.900 0.011 0.000 1.092 416 Y CA -0.162 57.872 58.100 -0.109 0.000 1.150 416 Y CB 1.059 39.349 38.460 -0.283 0.000 1.200 416 Y HN 0.555 nan 8.280 nan 0.000 0.472 417 Y N 0.500 120.854 120.300 0.091 0.000 2.655 417 Y HA 0.797 5.347 4.550 0.000 0.000 0.336 417 Y C -1.896 174.086 175.900 0.137 0.000 1.154 417 Y CA -1.834 56.311 58.100 0.074 0.000 1.055 417 Y CB 1.238 39.718 38.460 0.033 0.000 1.295 417 Y HN 0.294 nan 8.280 nan 0.000 0.465 418 I N 3.099 123.818 120.570 0.248 0.000 2.433 418 I HA 0.585 4.755 4.170 0.000 0.000 0.292 418 I C -0.490 175.789 176.117 0.270 0.000 1.001 418 I CA -0.460 60.931 61.300 0.150 0.000 1.119 418 I CB 1.730 39.789 38.000 0.098 0.000 1.289 418 I HN 0.890 nan 8.210 nan 0.000 0.438 419 S N 3.771 119.601 115.700 0.217 0.000 2.651 419 S HA 0.462 4.932 4.470 0.000 0.000 0.279 419 S C -0.337 174.317 174.600 0.089 0.000 1.148 419 S CA -0.799 57.526 58.200 0.209 0.000 0.837 419 S CB 2.054 65.409 63.200 0.260 0.000 1.138 419 S HN 0.625 nan 8.310 nan 0.000 0.478 420 N N -0.402 118.348 118.700 0.083 0.000 2.453 420 N HA 0.156 4.896 4.740 0.000 0.000 0.270 420 N C 0.392 175.878 175.510 -0.040 0.000 1.195 420 N CA -0.380 52.676 53.050 0.010 0.000 0.902 420 N CB 0.357 38.845 38.487 0.002 0.000 1.186 420 N HN 0.826 nan 8.380 nan 0.000 0.510 421 E N -0.209 119.843 120.200 -0.248 0.000 2.076 421 E HA -0.132 4.218 4.350 0.000 0.000 0.190 421 E C -0.354 176.093 176.600 -0.255 0.000 0.979 421 E CA -0.018 56.003 56.400 -0.632 0.000 0.807 421 E CB -0.054 28.699 29.700 -1.578 0.000 0.761 421 E HN 0.382 nan 8.360 nan 0.000 0.454 422 Y N 2.303 122.509 120.300 -0.158 0.000 2.895 422 Y HA -0.184 4.366 4.550 0.000 0.000 0.334 422 Y C 0.391 176.249 175.900 -0.070 0.000 1.261 422 Y CA 1.080 59.136 58.100 -0.074 0.000 1.560 422 Y CB 0.165 38.604 38.460 -0.036 0.000 1.253 422 Y HN 0.087 nan 8.280 nan 0.000 0.582 423 K N 3.560 123.632 120.400 -0.547 0.000 2.971 423 K HA -0.269 4.051 4.320 0.000 0.000 0.265 423 K C 0.886 177.406 176.600 -0.132 0.000 1.052 423 K CA 0.841 56.899 56.287 -0.382 0.000 0.780 423 K CB -1.793 30.443 32.500 -0.441 0.000 1.214 423 K HN 1.279 nan 8.250 nan 0.000 0.478 424 G N 0.970 109.706 108.800 -0.106 0.000 2.258 424 G HA2 -0.343 3.617 3.960 0.000 0.000 0.274 424 G HA3 -0.343 3.617 3.960 0.000 0.000 0.274 424 G C 0.055 174.944 174.900 -0.017 0.000 1.021 424 G CA 0.992 46.079 45.100 -0.022 0.000 0.798 424 G HN 0.493 nan 8.290 nan 0.000 0.507 425 M N -1.807 117.715 119.600 -0.129 0.000 2.149 425 M HA 0.528 5.008 4.480 0.000 0.000 0.342 425 M C -1.978 174.080 176.300 -0.403 0.000 1.068 425 M CA -2.382 52.666 55.300 -0.420 0.000 0.991 425 M CB 2.011 34.357 32.600 -0.422 0.000 1.596 425 M HN -0.134 nan 8.290 nan 0.000 0.439 426 P HA 0.044 nan 4.420 nan 0.000 0.222 426 P C 1.427 178.576 177.300 -0.252 0.000 1.153 426 P CA 1.060 63.984 63.100 -0.293 0.000 0.798 426 P CB 0.102 31.637 31.700 -0.273 0.000 0.796 427 G N -0.700 107.886 108.800 -0.357 0.000 2.848 427 G HA2 0.179 4.139 3.960 0.000 0.000 0.208 427 G HA3 0.179 4.139 3.960 0.000 0.000 0.208 427 G C 0.728 175.632 174.900 0.007 0.000 1.152 427 G CA 0.227 45.245 45.100 -0.136 0.000 0.789 427 G HN 0.409 nan 8.290 nan 0.000 0.531 428 G N -0.718 108.033 108.800 -0.082 0.000 2.471 428 G HA2 0.651 4.611 3.960 0.000 0.000 0.332 428 G HA3 0.651 4.611 3.960 0.000 0.000 0.332 428 G C -1.025 173.763 174.900 -0.187 0.000 1.176 428 G CA -0.982 44.093 45.100 -0.041 0.000 0.949 428 G HN 0.210 nan 8.290 nan 0.000 0.488 429 R N 0.275 120.619 120.500 -0.260 0.000 2.522 429 R HA 0.396 4.736 4.340 0.000 0.000 0.283 429 R C -1.247 174.977 176.300 -0.128 0.000 1.074 429 R CA -0.585 55.313 56.100 -0.336 0.000 0.925 429 R CB 1.430 31.208 30.300 -0.871 0.000 1.205 429 R HN 0.586 nan 8.270 nan 0.000 0.436 430 N N 2.632 121.292 118.700 -0.066 0.000 2.329 430 N HA 0.335 5.076 4.740 0.000 0.000 0.282 430 N C -1.726 173.649 175.510 -0.226 0.000 1.198 430 N CA -0.751 52.208 53.050 -0.153 0.000 0.790 430 N CB 2.193 40.494 38.487 -0.310 0.000 1.579 430 N HN 0.271 nan 8.380 nan 0.000 0.475 431 L N 1.763 122.736 121.223 -0.416 0.000 2.350 431 L HA 0.456 4.796 4.340 0.000 0.000 0.275 431 L C -1.331 175.154 176.870 -0.641 0.000 1.099 431 L CA 0.166 54.773 54.840 -0.388 0.000 0.808 431 L CB -0.005 41.833 42.059 -0.367 0.000 1.149 431 L HN 0.437 nan 8.230 nan 0.000 0.442 432 Y N 3.031 123.017 120.300 -0.523 0.000 2.553 432 Y HA 0.533 5.083 4.550 0.000 0.000 0.347 432 Y C -0.570 175.051 175.900 -0.464 0.000 1.019 432 Y CA -0.897 56.852 58.100 -0.586 0.000 1.032 432 Y CB 1.740 39.603 38.460 -0.996 0.000 1.284 432 Y HN 0.559 nan 8.280 nan 0.000 0.466 433 K N 2.628 122.933 120.400 -0.159 0.000 2.318 433 K HA 0.823 5.143 4.320 0.000 0.000 0.249 433 K C -1.843 174.754 176.600 -0.005 0.000 0.942 433 K CA -0.795 55.343 56.287 -0.248 0.000 0.808 433 K CB 2.890 35.020 32.500 -0.616 0.000 1.189 433 K HN 0.750 nan 8.250 nan 0.000 0.428 434 I N 1.828 122.434 120.570 0.060 0.000 2.466 434 I HA 0.153 4.324 4.170 0.000 0.000 0.289 434 I C -0.866 175.324 176.117 0.122 0.000 1.026 434 I CA -0.726 60.661 61.300 0.144 0.000 1.078 434 I CB 2.093 40.183 38.000 0.151 0.000 1.249 434 I HN 0.851 nan 8.210 nan 0.000 0.429 435 Q N 5.251 125.116 119.800 0.108 0.000 2.271 435 Q HA 0.075 4.415 4.340 0.000 0.000 0.273 435 Q C 0.175 176.109 176.000 -0.110 0.000 1.051 435 Q CA -0.359 55.347 55.803 -0.161 0.000 0.901 435 Q CB 1.162 29.833 28.738 -0.112 0.000 1.174 435 Q HN 0.766 nan 8.270 nan 0.000 0.385 436 L N 3.128 124.218 121.223 -0.223 0.000 2.027 436 L HA -0.195 4.145 4.340 0.000 0.000 0.206 436 L C 2.399 179.179 176.870 -0.150 0.000 1.074 436 L CA 2.226 57.019 54.840 -0.077 0.000 0.745 436 L CB -1.181 40.804 42.059 -0.123 0.000 0.898 436 L HN 0.841 nan 8.230 nan 0.000 0.433 437 S N -1.874 113.696 115.700 -0.216 0.000 2.442 437 S HA -0.118 4.353 4.470 0.000 0.000 0.236 437 S C 0.778 175.210 174.600 -0.280 0.000 1.007 437 S CA 0.867 58.926 58.200 -0.236 0.000 0.965 437 S CB -0.220 62.872 63.200 -0.180 0.000 0.773 437 S HN 0.467 nan 8.310 nan 0.000 0.504 438 D N -0.369 119.895 120.400 -0.227 0.000 2.386 438 D HA 0.241 4.881 4.640 0.000 0.000 0.247 438 D C -0.470 175.818 176.300 -0.020 0.000 1.336 438 D CA -0.713 53.183 54.000 -0.173 0.000 0.976 438 D CB 0.446 41.189 40.800 -0.095 0.000 1.257 438 D HN -0.002 nan 8.370 nan 0.000 0.570 439 Y N 1.168 121.439 120.300 -0.047 0.000 2.574 439 Y HA -0.076 4.474 4.550 0.000 0.000 0.294 439 Y C 2.423 178.321 175.900 -0.002 0.000 1.142 439 Y CA 1.256 59.338 58.100 -0.031 0.000 1.314 439 Y CB -0.684 37.756 38.460 -0.034 0.000 0.991 439 Y HN 0.410 nan 8.280 nan 0.000 0.555 440 T N -3.407 111.228 114.554 0.135 0.000 3.107 440 T HA 0.066 4.416 4.350 0.000 0.000 0.249 440 T C 0.699 175.449 174.700 0.084 0.000 1.096 440 T CA -0.110 62.046 62.100 0.094 0.000 1.012 440 T CB -0.043 68.859 68.868 0.056 0.000 0.977 440 T HN -0.114 nan 8.240 nan 0.000 0.527 441 K N 2.648 123.101 120.400 0.089 0.000 2.363 441 K HA 0.401 4.721 4.320 0.000 0.000 0.240 441 K C -0.788 175.884 176.600 0.119 0.000 1.169 441 K CA -0.205 56.134 56.287 0.087 0.000 1.131 441 K CB 0.718 33.259 32.500 0.068 0.000 1.771 441 K HN 0.244 nan 8.250 nan 0.000 0.380 442 V N 1.699 121.687 119.914 0.123 0.000 2.407 442 V HA 0.259 4.379 4.120 0.000 0.000 0.278 442 V C 0.348 176.515 176.094 0.122 0.000 1.037 442 V CA -0.451 61.938 62.300 0.150 0.000 0.900 442 V CB 1.585 33.516 31.823 0.179 0.000 0.983 442 V HN 0.404 nan 8.190 nan 0.000 0.459 443 T N 3.499 118.107 114.554 0.089 0.000 2.829 443 T HA 0.274 4.624 4.350 0.000 0.000 0.280 443 T C -0.430 174.238 174.700 -0.052 0.000 0.999 443 T CA -0.315 61.794 62.100 0.014 0.000 0.983 443 T CB 1.414 70.256 68.868 -0.042 0.000 0.968 443 T HN 0.772 nan 8.240 nan 0.000 0.446 444 C N 4.506 123.717 119.300 -0.149 0.000 2.325 444 C HA 0.442 4.902 4.460 0.000 0.000 0.347 444 C C 1.347 176.083 174.990 -0.423 0.000 1.263 444 C CA -0.560 58.172 59.018 -0.475 0.000 1.806 444 C CB -1.619 25.826 27.740 -0.492 0.000 2.405 444 C HN 0.893 nan 8.230 nan 0.000 0.537 445 L N 4.749 125.674 121.223 -0.496 0.000 2.558 445 L HA 0.141 4.481 4.340 0.000 0.000 0.225 445 L C 2.119 178.711 176.870 -0.464 0.000 1.128 445 L CA 1.404 56.013 54.840 -0.385 0.000 0.868 445 L CB 0.117 41.971 42.059 -0.341 0.000 1.006 445 L HN 0.905 nan 8.230 nan 0.000 0.454 446 S N -4.899 110.426 115.700 -0.624 0.000 2.744 446 S HA 0.017 4.487 4.470 0.000 0.000 0.265 446 S C 1.645 175.860 174.600 -0.642 0.000 1.065 446 S CA -0.009 57.709 58.200 -0.804 0.000 1.191 446 S CB -0.647 61.743 63.200 -1.351 0.000 1.150 446 S HN 0.214 nan 8.310 nan 0.000 0.646 447 C N 2.128 121.059 119.300 -0.615 0.000 2.440 447 C HA 0.169 4.629 4.460 0.000 0.000 0.278 447 C C 2.103 176.802 174.990 -0.486 0.000 1.295 447 C CA 1.014 59.573 59.018 -0.765 0.000 1.738 447 C CB -0.982 26.132 27.740 -1.043 0.000 1.987 447 C HN 0.701 nan 8.230 nan 0.000 0.492 448 E N 0.083 120.106 120.200 -0.295 0.000 2.501 448 E HA 0.189 4.539 4.350 0.000 0.000 0.201 448 E C 1.659 178.210 176.600 -0.082 0.000 1.016 448 E CA -0.215 56.105 56.400 -0.134 0.000 0.920 448 E CB 0.095 29.747 29.700 -0.081 0.000 1.023 448 E HN 0.550 nan 8.360 nan 0.000 0.474 449 L N 0.719 121.883 121.223 -0.098 0.000 2.187 449 L HA -0.081 4.259 4.340 0.000 0.000 0.213 449 L C 0.888 177.765 176.870 0.012 0.000 1.100 449 L CA 0.901 55.722 54.840 -0.032 0.000 0.765 449 L CB -0.016 42.030 42.059 -0.021 0.000 0.904 449 L HN 0.212 nan 8.230 nan 0.000 0.437 450 N N -1.808 116.907 118.700 0.025 0.000 3.664 450 N HA 0.055 4.795 4.740 0.000 0.000 0.139 450 N C -2.291 173.234 175.510 0.024 0.000 1.286 450 N CA -0.489 52.576 53.050 0.024 0.000 1.541 450 N CB 0.450 38.955 38.487 0.029 0.000 1.689 450 N HN -0.195 nan 8.380 nan 0.000 0.695 451 P HA 0.022 nan 4.420 nan 0.000 0.226 451 P C 0.746 178.077 177.300 0.051 0.000 1.153 451 P CA 1.044 64.172 63.100 0.047 0.000 0.777 451 P CB 0.550 32.298 31.700 0.080 0.000 0.794 452 E N -0.702 119.514 120.200 0.026 0.000 2.140 452 E HA -0.026 4.324 4.350 0.000 0.000 0.191 452 E C 2.141 178.736 176.600 -0.009 0.000 0.973 452 E CA 0.425 56.835 56.400 0.016 0.000 0.829 452 E CB -0.149 29.556 29.700 0.008 0.000 0.781 452 E HN 0.170 nan 8.360 nan 0.000 0.466 453 R N 0.060 120.541 120.500 -0.031 0.000 2.140 453 R HA 0.086 4.426 4.340 0.000 0.000 0.213 453 R C -0.015 176.226 176.300 -0.100 0.000 1.059 453 R CA 0.503 56.561 56.100 -0.070 0.000 1.000 453 R CB 0.416 30.666 30.300 -0.083 0.000 0.910 453 R HN 0.050 nan 8.270 nan 0.000 0.455 454 c N 0.865 119.409 118.600 -0.093 0.000 2.321 454 c HA 0.397 4.967 4.570 0.000 0.000 0.323 454 c C -0.126 173.881 174.090 -0.138 0.000 1.191 454 c CA -0.614 55.591 56.329 -0.206 0.000 1.455 454 c CB 1.221 43.606 42.510 -0.209 0.000 2.083 454 c HN 0.520 nan 8.230 nan 0.000 0.442 455 Q N 0.676 120.392 119.800 -0.140 0.000 2.064 455 Q HA 0.205 4.546 4.340 0.000 0.000 0.213 455 Q C -0.932 175.071 176.000 0.006 0.000 0.779 455 Q CA 0.061 55.856 55.803 -0.014 0.000 1.032 455 Q CB 1.162 29.939 28.738 0.064 0.000 1.203 455 Q HN 0.793 nan 8.270 nan 0.000 0.457 456 Y N 0.479 120.614 120.300 -0.275 0.000 2.609 456 Y HA 0.341 4.891 4.550 0.000 0.000 0.350 456 Y C -1.506 174.236 175.900 -0.264 0.000 1.050 456 Y CA -0.988 56.999 58.100 -0.189 0.000 1.290 456 Y CB 0.565 38.941 38.460 -0.141 0.000 1.094 456 Y HN -0.030 nan 8.280 nan 0.000 0.583 457 Y N 1.791 122.004 120.300 -0.145 0.000 2.376 457 Y HA 0.627 5.177 4.550 0.000 0.000 0.325 457 Y C 0.501 176.337 175.900 -0.107 0.000 1.199 457 Y CA -0.293 57.739 58.100 -0.113 0.000 1.206 457 Y CB 1.863 40.229 38.460 -0.158 0.000 1.229 457 Y HN 0.476 nan 8.280 nan 0.000 0.480 458 S N 0.688 116.470 115.700 0.137 0.000 2.661 458 S HA 0.845 5.316 4.470 0.000 0.000 0.285 458 S C -1.572 173.096 174.600 0.114 0.000 1.138 458 S CA -0.878 57.387 58.200 0.108 0.000 0.855 458 S CB 1.847 65.122 63.200 0.125 0.000 1.136 458 S HN 0.562 nan 8.310 nan 0.000 0.484 459 V N 0.590 120.575 119.914 0.117 0.000 2.888 459 V HA 0.831 4.951 4.120 0.000 0.000 0.309 459 V C -1.132 175.054 176.094 0.154 0.000 1.114 459 V CA -0.244 62.108 62.300 0.086 0.000 0.940 459 V CB 2.253 34.069 31.823 -0.011 0.000 1.021 459 V HN 1.213 nan 8.190 nan 0.000 0.426 460 S N 5.808 121.594 115.700 0.143 0.000 2.640 460 S HA 0.690 5.160 4.470 0.000 0.000 0.320 460 S C -1.066 173.700 174.600 0.276 0.000 1.097 460 S CA -0.378 57.995 58.200 0.289 0.000 1.092 460 S CB 0.462 63.867 63.200 0.343 0.000 0.988 460 S HN 0.490 nan 8.310 nan 0.000 0.470 461 F N 2.955 122.991 119.950 0.142 0.000 2.377 461 F HA 0.480 5.007 4.527 0.000 0.000 0.328 461 F C 1.347 176.757 175.800 -0.649 0.000 1.094 461 F CA -0.137 57.787 58.000 -0.127 0.000 1.093 461 F CB 1.545 40.450 39.000 -0.159 0.000 1.214 461 F HN 0.691 nan 8.300 nan 0.000 0.518 462 S N 1.750 116.931 115.700 -0.864 0.000 2.641 462 S HA 0.183 4.653 4.470 0.000 0.000 0.261 462 S C 1.229 175.589 174.600 -0.400 0.000 1.257 462 S CA -0.540 56.865 58.200 -1.325 0.000 0.983 462 S CB 0.823 63.357 63.200 -1.109 0.000 0.990 462 S HN 0.702 nan 8.310 nan 0.000 0.572 463 K N 0.245 120.518 120.400 -0.212 0.000 2.113 463 K HA -0.098 4.222 4.320 0.000 0.000 0.208 463 K C 0.749 177.347 176.600 -0.003 0.000 1.047 463 K CA 1.798 58.067 56.287 -0.030 0.000 0.928 463 K CB -0.197 32.316 32.500 0.022 0.000 0.716 463 K HN 0.698 nan 8.250 nan 0.000 0.446 464 E N -1.190 119.005 120.200 -0.009 0.000 3.157 464 E HA 0.219 4.569 4.350 0.000 0.000 0.203 464 E C -0.827 175.778 176.600 0.009 0.000 0.982 464 E CA -0.017 56.394 56.400 0.019 0.000 1.217 464 E CB 1.096 30.824 29.700 0.047 0.000 1.123 464 E HN 0.278 nan 8.360 nan 0.000 0.457 465 A N 1.148 123.962 122.820 -0.010 0.000 2.822 465 A HA -0.306 4.014 4.320 0.000 0.000 0.287 465 A C 1.341 178.948 177.584 0.037 0.000 1.479 465 A CA 1.187 53.249 52.037 0.042 0.000 0.779 465 A CB -1.417 17.506 19.000 -0.128 0.000 1.022 465 A HN 0.330 nan 8.150 nan 0.000 0.532 466 K N -2.148 118.240 120.400 -0.021 0.000 2.243 466 K HA 0.150 4.470 4.320 0.000 0.000 0.201 466 K C 0.094 176.431 176.600 -0.438 0.000 1.051 466 K CA 1.252 57.442 56.287 -0.162 0.000 0.970 466 K CB 0.138 32.600 32.500 -0.063 0.000 0.755 466 K HN 0.730 nan 8.250 nan 0.000 0.465 467 Y N -0.958 119.291 120.300 -0.085 0.000 2.638 467 Y HA 0.302 4.852 4.550 0.000 0.000 0.339 467 Y C -0.873 174.952 175.900 -0.125 0.000 1.084 467 Y CA -1.519 56.524 58.100 -0.096 0.000 1.068 467 Y CB 1.726 40.148 38.460 -0.063 0.000 1.294 467 Y HN -0.046 nan 8.280 nan 0.000 0.480 468 Y N -1.086 119.176 120.300 -0.064 0.000 2.521 468 Y HA 0.454 5.004 4.550 0.000 0.000 0.332 468 Y C -1.480 174.392 175.900 -0.045 0.000 1.121 468 Y CA -1.370 56.524 58.100 -0.344 0.000 1.037 468 Y CB 1.307 39.029 38.460 -1.229 0.000 1.330 468 Y HN 0.591 nan 8.280 nan 0.000 0.452 469 Q N 4.128 124.021 119.800 0.154 0.000 2.290 469 Q HA 0.592 4.932 4.340 0.000 0.000 0.259 469 Q C -1.676 174.385 176.000 0.101 0.000 0.941 469 Q CA -0.756 55.117 55.803 0.117 0.000 0.912 469 Q CB 1.329 30.123 28.738 0.093 0.000 1.244 469 Q HN 0.948 nan 8.270 nan 0.000 0.441 470 L N 3.731 125.020 121.223 0.111 0.000 2.307 470 L HA 0.524 4.864 4.340 0.000 0.000 0.282 470 L C -0.506 176.433 176.870 0.115 0.000 1.051 470 L CA -0.829 54.084 54.840 0.122 0.000 0.804 470 L CB 1.305 43.434 42.059 0.116 0.000 1.197 470 L HN 0.532 nan 8.230 nan 0.000 0.431 471 R N 1.848 122.395 120.500 0.077 0.000 2.343 471 R HA 0.374 4.714 4.340 0.000 0.000 0.320 471 R C -0.932 175.257 176.300 -0.184 0.000 0.956 471 R CA -0.313 55.689 56.100 -0.164 0.000 0.836 471 R CB 1.416 31.670 30.300 -0.076 0.000 1.151 471 R HN 0.598 nan 8.270 nan 0.000 0.450 472 c N 2.624 120.985 118.600 -0.398 0.000 2.298 472 c HA 0.598 5.168 4.570 0.000 0.000 0.323 472 c C 0.824 174.692 174.090 -0.371 0.000 1.284 472 c CA -0.308 55.700 56.329 -0.535 0.000 1.577 472 c CB 0.307 42.440 42.510 -0.629 0.000 2.249 472 c HN 0.966 nan 8.230 nan 0.000 0.497 473 S N 3.459 119.025 115.700 -0.223 0.000 2.730 473 S HA 0.623 5.093 4.470 0.000 0.000 0.244 473 S C 0.338 174.890 174.600 -0.080 0.000 1.022 473 S CA 0.207 58.332 58.200 -0.126 0.000 1.014 473 S CB 0.250 63.411 63.200 -0.064 0.000 0.963 473 S HN 1.821 nan 8.310 nan 0.000 0.540 474 G N 1.692 110.431 108.800 -0.102 0.000 2.355 474 G HA2 0.452 4.412 3.960 0.000 0.000 0.296 474 G HA3 0.452 4.412 3.960 0.000 0.000 0.296 474 G C -3.227 171.639 174.900 -0.056 0.000 1.507 474 G CA -0.793 44.281 45.100 -0.043 0.000 0.823 474 G HN -0.123 nan 8.290 nan 0.000 0.569 475 P HA 0.181 nan 4.420 nan 0.000 0.251 475 P C 1.251 178.554 177.300 0.004 0.000 1.223 475 P CA 0.782 63.899 63.100 0.028 0.000 0.796 475 P CB 0.753 32.470 31.700 0.029 0.000 1.068 476 G N 0.619 109.352 108.800 -0.111 0.000 2.563 476 G HA2 0.366 4.326 3.960 0.000 0.000 0.283 476 G HA3 0.366 4.326 3.960 0.000 0.000 0.283 476 G C -0.199 174.438 174.900 -0.439 0.000 1.309 476 G CA -0.692 44.261 45.100 -0.243 0.000 1.022 476 G HN 0.019 nan 8.290 nan 0.000 0.501 477 L N 1.251 122.134 121.223 -0.566 0.000 2.490 477 L HA 0.127 4.467 4.340 0.000 0.000 0.274 477 L C -1.805 174.896 176.870 -0.282 0.000 1.201 477 L CA -1.230 53.268 54.840 -0.570 0.000 0.869 477 L CB 0.484 42.297 42.059 -0.410 0.000 1.123 477 L HN 0.252 nan 8.230 nan 0.000 0.484 478 P HA 0.001 nan 4.420 nan 0.000 0.266 478 P C -0.854 176.344 177.300 -0.170 0.000 1.186 478 P CA 0.105 63.099 63.100 -0.178 0.000 0.767 478 P CB 0.501 32.162 31.700 -0.065 0.000 0.820 479 L N 4.504 125.530 121.223 -0.327 0.000 2.516 479 L HA 0.452 4.792 4.340 0.000 0.000 0.267 479 L C -1.923 174.775 176.870 -0.287 0.000 0.957 479 L CA -0.583 54.147 54.840 -0.184 0.000 0.860 479 L CB 0.963 42.941 42.059 -0.135 0.000 1.265 479 L HN 0.195 nan 8.230 nan 0.000 0.403 480 Y N 2.948 123.203 120.300 -0.075 0.000 2.335 480 Y HA 0.780 5.330 4.550 0.000 0.000 0.338 480 Y C 0.744 176.553 175.900 -0.152 0.000 0.977 480 Y CA -0.379 57.662 58.100 -0.097 0.000 1.114 480 Y CB 2.018 40.385 38.460 -0.154 0.000 1.182 480 Y HN 0.712 nan 8.280 nan 0.000 0.463 481 T N 0.937 115.516 114.554 0.041 0.000 2.858 481 T HA 0.767 5.117 4.350 0.000 0.000 0.285 481 T C -1.399 173.271 174.700 -0.050 0.000 1.052 481 T CA -0.962 61.110 62.100 -0.046 0.000 1.009 481 T CB 2.016 70.888 68.868 0.007 0.000 1.241 481 T HN 0.528 nan 8.240 nan 0.000 0.542 482 L N 1.084 122.188 121.223 -0.198 0.000 2.445 482 L HA 0.621 4.961 4.340 0.000 0.000 0.262 482 L C -1.712 174.932 176.870 -0.376 0.000 0.974 482 L CA -0.568 54.191 54.840 -0.134 0.000 0.822 482 L CB 2.128 44.120 42.059 -0.113 0.000 1.339 482 L HN 0.986 nan 8.230 nan 0.000 0.409 483 H N 0.372 119.218 119.070 -0.375 0.000 2.985 483 H HA 0.495 5.051 4.556 0.000 0.000 0.360 483 H C -0.450 174.665 175.328 -0.354 0.000 1.221 483 H CA -0.580 55.169 56.048 -0.499 0.000 1.121 483 H CB 2.015 31.145 29.762 -1.053 0.000 1.854 483 H HN 0.476 nan 8.280 nan 0.000 0.551 484 S N -0.064 115.571 115.700 -0.109 0.000 2.489 484 S HA 0.308 4.778 4.470 0.000 0.000 0.291 484 S C 0.276 174.818 174.600 -0.097 0.000 1.151 484 S CA -0.539 57.536 58.200 -0.208 0.000 1.082 484 S CB 1.574 64.654 63.200 -0.199 0.000 1.019 484 S HN 0.549 nan 8.310 nan 0.000 0.492 485 S N 2.481 118.132 115.700 -0.081 0.000 2.414 485 S HA -0.085 4.385 4.470 0.000 0.000 0.227 485 S C 1.998 176.616 174.600 0.031 0.000 1.022 485 S CA 0.744 59.011 58.200 0.113 0.000 0.958 485 S CB -0.545 62.710 63.200 0.091 0.000 0.797 485 S HN 0.778 nan 8.310 nan 0.000 0.493 486 V N 2.817 122.701 119.914 -0.050 0.000 2.313 486 V HA -0.264 3.856 4.120 0.000 0.000 0.253 486 V C 1.449 177.540 176.094 -0.005 0.000 1.070 486 V CA 2.140 64.426 62.300 -0.025 0.000 1.057 486 V CB -0.413 31.377 31.823 -0.055 0.000 0.653 486 V HN 0.423 nan 8.190 nan 0.000 0.450 487 N N -1.459 117.236 118.700 -0.008 0.000 2.332 487 N HA 0.085 4.826 4.740 0.000 0.000 0.190 487 N C 0.294 175.816 175.510 0.019 0.000 1.117 487 N CA 0.806 53.858 53.050 0.003 0.000 0.883 487 N CB 0.260 38.745 38.487 -0.003 0.000 1.089 487 N HN 0.513 nan 8.380 nan 0.000 0.480 488 D N 0.511 120.945 120.400 0.057 0.000 2.800 488 D HA -0.172 4.468 4.640 0.000 0.000 0.232 488 D C -0.141 176.214 176.300 0.092 0.000 1.137 488 D CA 0.774 54.844 54.000 0.116 0.000 0.718 488 D CB -1.041 39.799 40.800 0.067 0.000 1.084 488 D HN 0.278 nan 8.370 nan 0.000 0.432 489 K N 0.760 121.187 120.400 0.045 0.000 2.248 489 K HA 0.436 4.756 4.320 0.000 0.000 0.281 489 K C 0.607 177.178 176.600 -0.048 0.000 1.054 489 K CA -0.243 56.048 56.287 0.007 0.000 0.903 489 K CB 0.989 33.480 32.500 -0.016 0.000 1.077 489 K HN 0.120 nan 8.250 nan 0.000 0.474 490 G N 4.911 113.649 108.800 -0.102 0.000 2.356 490 G HA2 0.143 4.103 3.960 0.000 0.000 0.273 490 G HA3 0.143 4.103 3.960 0.000 0.000 0.273 490 G C 0.860 175.586 174.900 -0.289 0.000 1.213 490 G CA -0.334 44.523 45.100 -0.404 0.000 0.955 490 G HN 0.632 nan 8.290 nan 0.000 0.454 491 L N 2.272 123.307 121.223 -0.313 0.000 2.046 491 L HA 0.307 4.647 4.340 0.000 0.000 0.203 491 L C 1.768 178.549 176.870 -0.148 0.000 1.111 491 L CA 0.757 55.502 54.840 -0.158 0.000 0.769 491 L CB -0.274 41.733 42.059 -0.086 0.000 0.914 491 L HN 0.640 nan 8.230 nan 0.000 0.448 492 R N -0.703 119.699 120.500 -0.163 0.000 2.888 492 R HA 0.571 4.911 4.340 0.000 0.000 0.264 492 R C -1.359 174.841 176.300 -0.167 0.000 1.045 492 R CA -0.771 55.252 56.100 -0.129 0.000 0.962 492 R CB 1.712 31.968 30.300 -0.073 0.000 1.210 492 R HN -0.142 nan 8.270 nan 0.000 0.479 493 V N 2.863 122.697 119.914 -0.133 0.000 2.432 493 V HA 0.149 4.270 4.120 0.000 0.000 0.275 493 V C 1.197 177.174 176.094 -0.194 0.000 1.043 493 V CA -0.333 61.883 62.300 -0.139 0.000 0.925 493 V CB 1.235 33.004 31.823 -0.090 0.000 0.985 493 V HN 0.683 nan 8.190 nan 0.000 0.466 494 L N 2.947 123.986 121.223 -0.306 0.000 2.168 494 L HA 0.293 4.633 4.340 0.000 0.000 0.203 494 L C 0.712 177.265 176.870 -0.528 0.000 1.078 494 L CA 0.682 55.144 54.840 -0.631 0.000 0.780 494 L CB 0.233 41.605 42.059 -1.146 0.000 0.939 494 L HN 0.695 nan 8.230 nan 0.000 0.451 495 E N -0.395 119.652 120.200 -0.255 0.000 2.381 495 E HA 0.119 4.469 4.350 0.000 0.000 0.286 495 E C -1.397 175.247 176.600 0.073 0.000 0.960 495 E CA -0.359 56.003 56.400 -0.063 0.000 0.793 495 E CB 1.303 30.966 29.700 -0.063 0.000 1.225 495 E HN 0.129 nan 8.360 nan 0.000 0.420 496 D N 2.735 123.165 120.400 0.051 0.000 2.539 496 D HA 0.131 4.771 4.640 0.000 0.000 0.232 496 D C -0.417 175.898 176.300 0.024 0.000 1.256 496 D CA -0.207 53.813 54.000 0.032 0.000 0.810 496 D CB -0.171 40.626 40.800 -0.006 0.000 1.090 496 D HN 0.438 nan 8.370 nan 0.000 0.519 497 N N 0.754 119.486 118.700 0.053 0.000 2.678 497 N HA -0.231 4.509 4.740 0.000 0.000 0.249 497 N C 1.137 176.657 175.510 0.017 0.000 1.119 497 N CA 1.101 54.178 53.050 0.044 0.000 0.718 497 N CB -1.619 36.890 38.487 0.035 0.000 1.060 497 N HN 0.542 nan 8.380 nan 0.000 0.552 498 S N -1.154 114.554 115.700 0.014 0.000 2.399 498 S HA -0.003 4.467 4.470 0.000 0.000 0.231 498 S C 2.126 176.741 174.600 0.025 0.000 1.022 498 S CA 0.939 59.144 58.200 0.008 0.000 0.983 498 S CB -0.196 63.007 63.200 0.006 0.000 0.803 498 S HN 0.531 nan 8.310 nan 0.000 0.480 499 A N 2.522 125.366 122.820 0.040 0.000 1.869 499 A HA -0.099 4.221 4.320 0.000 0.000 0.218 499 A C 2.272 179.898 177.584 0.070 0.000 1.203 499 A CA 1.956 54.026 52.037 0.055 0.000 0.638 499 A CB -1.162 17.876 19.000 0.063 0.000 0.831 499 A HN 0.601 nan 8.150 nan 0.000 0.450 500 L N -0.219 121.051 121.223 0.078 0.000 2.083 500 L HA -0.154 4.186 4.340 0.000 0.000 0.209 500 L C 1.897 178.808 176.870 0.068 0.000 1.083 500 L CA 2.695 57.598 54.840 0.105 0.000 0.752 500 L CB -0.597 41.529 42.059 0.112 0.000 0.899 500 L HN 0.427 nan 8.230 nan 0.000 0.433 501 D N -0.565 119.849 120.400 0.024 0.000 2.144 501 D HA -0.185 4.455 4.640 0.000 0.000 0.199 501 D C 1.948 178.256 176.300 0.013 0.000 0.984 501 D CA 0.940 54.936 54.000 -0.006 0.000 0.834 501 D CB 0.143 40.927 40.800 -0.026 0.000 0.955 501 D HN 0.282 nan 8.370 nan 0.000 0.465 502 K N 0.237 120.657 120.400 0.033 0.000 1.978 502 K HA -0.128 4.192 4.320 0.000 0.000 0.214 502 K C 2.381 179.016 176.600 0.059 0.000 1.049 502 K CA 0.821 57.133 56.287 0.041 0.000 0.939 502 K CB -0.933 31.595 32.500 0.047 0.000 0.721 502 K HN 0.313 nan 8.250 nan 0.000 0.441 503 M N 0.635 120.293 119.600 0.096 0.000 2.192 503 M HA -0.185 4.295 4.480 0.000 0.000 0.259 503 M C 2.159 178.513 176.300 0.091 0.000 1.071 503 M CA 1.450 56.845 55.300 0.157 0.000 1.082 503 M CB -0.309 32.462 32.600 0.284 0.000 1.373 503 M HN 0.066 nan 8.290 nan 0.000 0.408 504 L N -0.533 120.696 121.223 0.010 0.000 2.375 504 L HA -0.124 4.216 4.340 0.000 0.000 0.215 504 L C 2.415 179.258 176.870 -0.045 0.000 1.108 504 L CA 0.513 55.304 54.840 -0.082 0.000 0.830 504 L CB -0.280 41.730 42.059 -0.082 0.000 0.959 504 L HN 0.420 nan 8.230 nan 0.000 0.457 505 Q N -1.015 118.780 119.800 -0.008 0.000 2.378 505 Q HA -0.099 4.241 4.340 0.000 0.000 0.205 505 Q C 1.155 177.167 176.000 0.021 0.000 0.954 505 Q CA 0.797 56.602 55.803 0.003 0.000 0.901 505 Q CB -0.358 28.385 28.738 0.009 0.000 0.981 505 Q HN 0.337 nan 8.270 nan 0.000 0.483 506 N N 0.937 119.658 118.700 0.035 0.000 2.573 506 N HA -0.023 4.717 4.740 0.000 0.000 0.187 506 N C -0.180 175.365 175.510 0.058 0.000 1.107 506 N CA 0.368 53.452 53.050 0.056 0.000 0.918 506 N CB 0.579 39.118 38.487 0.086 0.000 0.966 506 N HN 0.177 nan 8.380 nan 0.000 0.448 507 V N -0.152 119.778 119.914 0.027 0.000 2.876 507 V HA 0.312 4.432 4.120 0.000 0.000 0.312 507 V C -1.229 174.868 176.094 0.005 0.000 1.085 507 V CA -0.889 61.427 62.300 0.028 0.000 0.945 507 V CB 2.028 33.856 31.823 0.008 0.000 1.017 507 V HN 0.019 nan 8.190 nan 0.000 0.428 508 Q N 6.296 126.106 119.800 0.016 0.000 2.534 508 Q HA 0.348 4.688 4.340 0.000 0.000 0.223 508 Q C -0.346 175.616 176.000 -0.064 0.000 1.239 508 Q CA -0.289 55.493 55.803 -0.036 0.000 0.936 508 Q CB 0.647 29.363 28.738 -0.036 0.000 1.457 508 Q HN 0.624 nan 8.270 nan 0.000 0.547 509 M N 2.633 122.185 119.600 -0.080 0.000 2.202 509 M HA 0.386 4.866 4.480 0.000 0.000 0.316 509 M C -2.095 174.128 176.300 -0.127 0.000 1.138 509 M CA -2.463 52.778 55.300 -0.097 0.000 1.151 509 M CB -0.455 32.098 32.600 -0.078 0.000 1.422 509 M HN 0.277 nan 8.290 nan 0.000 0.471 510 P HA 0.398 nan 4.420 nan 0.000 0.281 510 P C -1.102 176.117 177.300 -0.136 0.000 1.281 510 P CA -0.602 62.402 63.100 -0.160 0.000 0.811 510 P CB 0.748 32.335 31.700 -0.189 0.000 1.154 511 S N -1.270 114.340 115.700 -0.150 0.000 2.566 511 S HA 0.613 5.083 4.470 0.000 0.000 0.298 511 S C -0.776 173.737 174.600 -0.145 0.000 1.083 511 S CA -0.837 57.292 58.200 -0.118 0.000 0.978 511 S CB 1.548 64.686 63.200 -0.104 0.000 1.073 511 S HN 0.398 nan 8.310 nan 0.000 0.491 512 K N 1.335 121.675 120.400 -0.100 0.000 2.339 512 K HA 0.350 4.670 4.320 0.000 0.000 0.264 512 K C -0.963 175.588 176.600 -0.082 0.000 0.986 512 K CA -0.529 55.700 56.287 -0.098 0.000 0.866 512 K CB 1.001 33.462 32.500 -0.064 0.000 1.103 512 K HN 0.649 nan 8.250 nan 0.000 0.441 513 K N 5.036 125.373 120.400 -0.104 0.000 2.130 513 K HA 0.371 4.691 4.320 0.000 0.000 0.268 513 K C -1.270 175.284 176.600 -0.077 0.000 0.983 513 K CA -0.624 55.613 56.287 -0.083 0.000 0.893 513 K CB 0.985 33.427 32.500 -0.096 0.000 1.066 513 K HN 0.613 nan 8.250 nan 0.000 0.450 514 L N 3.517 124.702 121.223 -0.063 0.000 2.406 514 L HA 0.376 4.717 4.340 0.000 0.000 0.272 514 L C -1.295 175.551 176.870 -0.042 0.000 0.980 514 L CA -0.239 54.583 54.840 -0.029 0.000 0.831 514 L CB 1.709 43.822 42.059 0.089 0.000 1.253 514 L HN 0.820 nan 8.230 nan 0.000 0.406 515 D N 2.374 122.608 120.400 -0.276 0.000 2.851 515 D HA 0.503 5.143 4.640 0.000 0.000 0.339 515 D C -1.613 174.364 176.300 -0.538 0.000 1.347 515 D CA -0.099 53.669 54.000 -0.387 0.000 0.888 515 D CB 1.519 42.056 40.800 -0.438 0.000 1.431 515 D HN 0.214 nan 8.370 nan 0.000 0.509 516 F N -0.370 119.293 119.950 -0.478 0.000 2.650 516 F HA 0.778 5.305 4.527 0.000 0.000 0.320 516 F C -0.763 175.138 175.800 0.168 0.000 1.091 516 F CA -1.116 56.717 58.000 -0.279 0.000 0.962 516 F CB 0.796 39.171 39.000 -1.042 0.000 1.363 516 F HN 0.398 nan 8.300 nan 0.000 0.482 517 I N -0.437 120.436 120.570 0.505 0.000 3.170 517 I HA 0.771 4.941 4.170 0.000 0.000 0.312 517 I C -1.502 174.855 176.117 0.401 0.000 1.085 517 I CA -1.329 60.178 61.300 0.345 0.000 0.999 517 I CB 2.480 40.619 38.000 0.232 0.000 1.233 517 I HN 0.637 nan 8.210 nan 0.000 0.467 518 I N 3.066 123.799 120.570 0.272 0.000 2.436 518 I HA 0.458 4.628 4.170 0.000 0.000 0.289 518 I C -1.072 175.171 176.117 0.208 0.000 1.010 518 I CA -0.485 60.950 61.300 0.226 0.000 1.098 518 I CB 1.867 39.965 38.000 0.164 0.000 1.266 518 I HN 0.399 nan 8.210 nan 0.000 0.434 519 L N 6.002 127.396 121.223 0.285 0.000 2.385 519 L HA 0.463 4.803 4.340 0.000 0.000 0.273 519 L C 0.402 177.392 176.870 0.200 0.000 0.990 519 L CA -0.784 54.202 54.840 0.242 0.000 0.821 519 L CB 1.550 43.790 42.059 0.301 0.000 1.279 519 L HN 0.617 nan 8.230 nan 0.000 0.412 520 N N 2.701 121.467 118.700 0.110 0.000 2.714 520 N HA -0.222 4.518 4.740 0.000 0.000 0.252 520 N C -0.295 175.246 175.510 0.051 0.000 1.014 520 N CA 1.101 54.194 53.050 0.072 0.000 0.735 520 N CB -0.397 38.133 38.487 0.072 0.000 0.924 520 N HN 0.842 nan 8.380 nan 0.000 0.540 521 E N -2.510 117.715 120.200 0.042 0.000 2.539 521 E HA -0.234 4.116 4.350 0.000 0.000 0.253 521 E C -0.474 176.104 176.600 -0.036 0.000 1.145 521 E CA 1.499 57.905 56.400 0.010 0.000 0.738 521 E CB -1.532 28.170 29.700 0.004 0.000 1.308 521 E HN 0.629 nan 8.360 nan 0.000 0.409 522 T N -1.112 113.401 114.554 -0.067 0.000 2.863 522 T HA 0.537 4.887 4.350 0.000 0.000 0.285 522 T C -0.158 174.331 174.700 -0.352 0.000 1.009 522 T CA -1.365 60.588 62.100 -0.244 0.000 0.989 522 T CB 1.787 70.435 68.868 -0.367 0.000 1.004 522 T HN 0.172 nan 8.240 nan 0.000 0.455 523 K N 1.706 121.862 120.400 -0.407 0.000 2.205 523 K HA 0.574 4.895 4.320 0.000 0.000 0.279 523 K C -1.283 175.012 176.600 -0.508 0.000 1.027 523 K CA -0.604 55.447 56.287 -0.394 0.000 0.932 523 K CB 0.538 32.588 32.500 -0.750 0.000 1.032 523 K HN 0.479 nan 8.250 nan 0.000 0.466 524 F N 1.700 121.699 119.950 0.083 0.000 2.467 524 F HA 0.327 4.854 4.527 0.000 0.000 0.336 524 F C -0.411 175.496 175.800 0.178 0.000 1.123 524 F CA -0.872 57.204 58.000 0.127 0.000 0.964 524 F CB 0.991 40.078 39.000 0.146 0.000 1.136 524 F HN 0.501 nan 8.300 nan 0.000 0.447 525 W N 3.320 124.787 121.300 0.279 0.000 2.183 525 W HA 0.472 5.132 4.660 0.000 0.000 0.348 525 W C -0.567 176.188 176.519 0.393 0.000 1.257 525 W CA -0.321 57.212 57.345 0.315 0.000 1.324 525 W CB 0.451 30.015 29.460 0.174 0.000 1.144 525 W HN 0.452 nan 8.180 nan 0.000 0.622 526 Y N -0.888 119.744 120.300 0.552 0.000 2.656 526 Y HA 0.559 5.109 4.550 0.000 0.000 0.334 526 Y C -1.073 175.052 175.900 0.376 0.000 1.179 526 Y CA -1.842 56.571 58.100 0.521 0.000 1.050 526 Y CB 0.903 39.817 38.460 0.757 0.000 1.308 526 Y HN 0.570 nan 8.280 nan 0.000 0.456 527 Q N 2.415 122.446 119.800 0.384 0.000 2.451 527 Q HA 0.832 5.172 4.340 0.000 0.000 0.281 527 Q C -1.785 174.325 176.000 0.184 0.000 1.099 527 Q CA -1.226 54.674 55.803 0.162 0.000 0.806 527 Q CB 3.462 32.269 28.738 0.114 0.000 1.419 527 Q HN 0.851 nan 8.270 nan 0.000 0.427 528 M N 2.121 121.747 119.600 0.043 0.000 2.324 528 M HA 0.435 4.915 4.480 0.000 0.000 0.288 528 M C -1.375 174.847 176.300 -0.130 0.000 1.097 528 M CA -0.856 54.411 55.300 -0.054 0.000 0.928 528 M CB 2.373 34.904 32.600 -0.115 0.000 1.648 528 M HN 0.607 nan 8.290 nan 0.000 0.460 529 I N 4.847 125.331 120.570 -0.144 0.000 2.297 529 I HA 0.403 4.573 4.170 0.000 0.000 0.291 529 I C -0.535 175.418 176.117 -0.275 0.000 1.033 529 I CA -0.324 60.866 61.300 -0.184 0.000 1.253 529 I CB 0.429 38.340 38.000 -0.149 0.000 1.396 529 I HN 0.640 nan 8.210 nan 0.000 0.476 530 L N 8.349 129.363 121.223 -0.349 0.000 2.309 530 L HA 0.467 4.807 4.340 0.000 0.000 0.282 530 L C -2.211 174.454 176.870 -0.342 0.000 1.036 530 L CA -1.812 52.718 54.840 -0.517 0.000 0.806 530 L CB 1.410 43.024 42.059 -0.742 0.000 1.220 530 L HN 0.278 nan 8.230 nan 0.000 0.429 531 P HA 0.093 nan 4.420 nan 0.000 0.269 531 P C -2.485 174.750 177.300 -0.108 0.000 1.215 531 P CA -1.060 61.948 63.100 -0.153 0.000 0.780 531 P CB -0.303 31.366 31.700 -0.051 0.000 0.898 532 P HA -0.080 nan 4.420 nan 0.000 0.268 532 P C -0.093 177.074 177.300 -0.222 0.000 1.208 532 P CA 0.686 63.615 63.100 -0.283 0.000 0.777 532 P CB -0.149 31.293 31.700 -0.430 0.000 0.875 533 H N -1.407 117.696 119.070 0.054 0.000 2.655 533 H HA -0.219 4.337 4.556 0.000 0.000 0.313 533 H C 0.008 175.390 175.328 0.090 0.000 1.141 533 H CA 0.135 56.216 56.048 0.055 0.000 1.138 533 H CB -2.571 27.215 29.762 0.040 0.000 1.446 533 H HN 0.403 nan 8.280 nan 0.000 0.415 534 F N 2.913 122.855 119.950 -0.013 0.000 2.557 534 F HA 0.163 4.690 4.527 0.000 0.000 0.384 534 F C 0.462 176.258 175.800 -0.007 0.000 1.057 534 F CA -0.686 57.261 58.000 -0.089 0.000 1.169 534 F CB 0.472 39.299 39.000 -0.288 0.000 1.070 534 F HN 0.168 nan 8.300 nan 0.000 0.554 535 D N 6.921 127.066 120.400 -0.424 0.000 2.412 535 D HA 0.089 4.729 4.640 0.000 0.000 0.224 535 D C 0.611 176.501 176.300 -0.685 0.000 1.093 535 D CA -0.585 53.160 54.000 -0.425 0.000 0.850 535 D CB 0.917 41.640 40.800 -0.129 0.000 1.046 535 D HN 0.659 nan 8.370 nan 0.000 0.507 536 K N 2.097 122.028 120.400 -0.782 0.000 2.643 536 K HA -0.042 4.278 4.320 0.000 0.000 0.193 536 K C 0.103 176.637 176.600 -0.111 0.000 1.027 536 K CA 0.252 56.160 56.287 -0.633 0.000 1.033 536 K CB -0.368 31.922 32.500 -0.350 0.000 0.827 536 K HN 0.226 nan 8.250 nan 0.000 0.500 537 S N -0.679 114.962 115.700 -0.098 0.000 2.855 537 S HA 0.307 4.777 4.470 0.000 0.000 0.249 537 S C -0.364 174.224 174.600 -0.019 0.000 1.033 537 S CA -0.809 57.386 58.200 -0.009 0.000 1.038 537 S CB 0.313 63.493 63.200 -0.034 0.000 0.960 537 S HN 0.177 nan 8.310 nan 0.000 0.548 538 K N 1.159 121.550 120.400 -0.015 0.000 2.238 538 K HA 0.516 4.836 4.320 0.000 0.000 0.239 538 K C -0.718 175.856 176.600 -0.044 0.000 0.987 538 K CA -0.966 55.251 56.287 -0.116 0.000 0.857 538 K CB 0.863 33.169 32.500 -0.322 0.000 1.154 538 K HN -0.082 nan 8.250 nan 0.000 0.439 539 K N 2.475 122.785 120.400 -0.149 0.000 2.266 539 K HA 0.225 4.545 4.320 0.000 0.000 0.274 539 K C -0.965 175.540 176.600 -0.159 0.000 1.090 539 K CA -0.179 56.072 56.287 -0.059 0.000 0.925 539 K CB 0.269 32.727 32.500 -0.069 0.000 1.225 539 K HN 0.456 nan 8.250 nan 0.000 0.458 540 Y N 3.165 123.513 120.300 0.080 0.000 2.320 540 Y HA 0.240 4.790 4.550 0.000 0.000 0.324 540 Y C -1.678 174.181 175.900 -0.068 0.000 1.190 540 Y CA -2.185 55.938 58.100 0.037 0.000 1.215 540 Y CB 0.676 39.217 38.460 0.135 0.000 1.221 540 Y HN 0.434 nan 8.280 nan 0.000 0.486 541 P HA 0.244 nan 4.420 nan 0.000 0.282 541 P C -1.258 175.932 177.300 -0.183 0.000 1.249 541 P CA -0.387 62.494 63.100 -0.365 0.000 0.806 541 P CB 1.537 32.740 31.700 -0.828 0.000 0.984 542 L N 3.069 124.205 121.223 -0.144 0.000 2.381 542 L HA 0.513 4.853 4.340 0.000 0.000 0.274 542 L C -1.209 175.854 176.870 0.321 0.000 0.988 542 L CA -0.882 54.017 54.840 0.098 0.000 0.824 542 L CB 1.393 43.502 42.059 0.083 0.000 1.263 542 L HN 0.239 nan 8.230 nan 0.000 0.410 543 L N 5.565 126.992 121.223 0.340 0.000 2.287 543 L HA 0.436 4.776 4.340 0.000 0.000 0.287 543 L C -1.115 175.985 176.870 0.383 0.000 1.022 543 L CA -0.891 54.199 54.840 0.417 0.000 0.814 543 L CB 1.715 43.979 42.059 0.342 0.000 1.217 543 L HN 0.602 nan 8.230 nan 0.000 0.420 544 L N 5.090 126.584 121.223 0.452 0.000 2.260 544 L HA 0.336 4.676 4.340 0.000 0.000 0.289 544 L C -0.481 176.621 176.870 0.387 0.000 1.057 544 L CA 0.057 55.149 54.840 0.420 0.000 0.811 544 L CB 1.037 43.386 42.059 0.484 0.000 1.184 544 L HN 0.468 nan 8.230 nan 0.000 0.429 545 D N 4.337 124.932 120.400 0.326 0.000 2.412 545 D HA 0.278 4.918 4.640 0.000 0.000 0.224 545 D C -1.061 175.304 176.300 0.109 0.000 1.093 545 D CA -0.046 54.069 54.000 0.192 0.000 0.850 545 D CB 1.224 42.208 40.800 0.306 0.000 1.046 545 D HN 0.315 nan 8.370 nan 0.000 0.507 546 V N 5.456 125.372 119.914 0.003 0.000 2.581 546 V HA 0.458 4.578 4.120 0.000 0.000 0.303 546 V C -0.794 175.386 176.094 0.143 0.000 1.041 546 V CA -0.343 62.021 62.300 0.106 0.000 0.907 546 V CB 1.633 33.524 31.823 0.114 0.000 0.994 546 V HN 0.683 nan 8.190 nan 0.000 0.442 547 Y N 5.307 125.657 120.300 0.083 0.000 2.972 547 Y HA 0.534 5.084 4.550 0.000 0.000 0.229 547 Y C 1.607 177.598 175.900 0.151 0.000 0.980 547 Y CA 1.067 59.237 58.100 0.116 0.000 1.475 547 Y CB 0.382 38.894 38.460 0.087 0.000 1.459 547 Y HN 0.969 nan 8.280 nan 0.000 0.460 548 A N 0.670 123.511 122.820 0.036 0.000 3.201 548 A HA -0.164 4.156 4.320 0.000 0.000 0.260 548 A C 0.895 178.206 177.584 -0.455 0.000 1.222 548 A CA 0.805 52.801 52.037 -0.068 0.000 1.124 548 A CB -2.600 16.448 19.000 0.081 0.000 1.155 548 A HN 0.925 nan 8.150 nan 0.000 0.924 549 G N -0.663 107.571 108.800 -0.943 0.000 2.606 549 G HA2 0.475 4.435 3.960 0.000 0.000 0.252 549 G HA3 0.475 4.435 3.960 0.000 0.000 0.252 549 G C -2.267 172.342 174.900 -0.484 0.000 1.206 549 G CA -0.728 43.573 45.100 -1.332 0.000 0.861 549 G HN 0.269 nan 8.290 nan 0.000 0.561 550 P HA 0.090 nan 4.420 nan 0.000 0.260 550 P C 0.553 177.805 177.300 -0.080 0.000 1.185 550 P CA 0.164 63.073 63.100 -0.318 0.000 0.763 550 P CB 0.624 31.823 31.700 -0.835 0.000 0.776 551 C N 2.660 121.939 119.300 -0.035 0.000 4.552 551 C HA -0.150 4.310 4.460 0.000 0.000 0.268 551 C C 1.032 176.085 174.990 0.104 0.000 1.288 551 C CA 1.134 60.090 59.018 -0.103 0.000 1.776 551 C CB -2.577 24.917 27.740 -0.411 0.000 1.415 551 C HN 0.772 nan 8.230 nan 0.000 0.729 552 S N 0.088 115.912 115.700 0.206 0.000 2.669 552 S HA 0.601 5.071 4.470 0.000 0.000 0.270 552 S C -0.536 174.245 174.600 0.302 0.000 1.225 552 S CA 0.349 58.751 58.200 0.337 0.000 0.991 552 S CB 1.599 65.061 63.200 0.437 0.000 0.987 552 S HN 0.908 nan 8.310 nan 0.000 0.552 553 Q N -0.112 119.878 119.800 0.317 0.000 2.567 553 Q HA 0.299 4.639 4.340 0.000 0.000 0.233 553 Q C -0.746 175.373 176.000 0.198 0.000 0.833 553 Q CA -0.616 55.351 55.803 0.273 0.000 0.844 553 Q CB 0.855 29.800 28.738 0.344 0.000 1.423 553 Q HN 0.612 nan 8.270 nan 0.000 0.442 554 K N 0.891 121.405 120.400 0.191 0.000 2.393 554 K HA 0.291 4.611 4.320 0.000 0.000 0.193 554 K C -0.123 176.568 176.600 0.151 0.000 1.026 554 K CA 0.540 56.925 56.287 0.163 0.000 1.064 554 K CB 1.005 33.624 32.500 0.198 0.000 0.833 554 K HN 0.515 nan 8.250 nan 0.000 0.521 555 A N 2.611 125.532 122.820 0.169 0.000 2.322 555 A HA 0.393 4.713 4.320 0.000 0.000 0.327 555 A C -0.784 176.864 177.584 0.105 0.000 1.394 555 A CA -0.618 51.521 52.037 0.170 0.000 0.921 555 A CB -0.012 19.149 19.000 0.268 0.000 1.153 555 A HN 0.246 nan 8.150 nan 0.000 0.523 556 D N -0.279 120.153 120.400 0.054 0.000 2.744 556 D HA 0.469 5.109 4.640 0.000 0.000 0.304 556 D C 0.531 176.826 176.300 -0.008 0.000 1.179 556 D CA 0.200 54.213 54.000 0.022 0.000 1.024 556 D CB 0.455 41.245 40.800 -0.017 0.000 1.453 556 D HN 0.120 nan 8.370 nan 0.000 0.529 557 T N -2.349 112.211 114.554 0.011 0.000 3.163 557 T HA 0.265 4.615 4.350 0.000 0.000 0.252 557 T C 0.519 175.166 174.700 -0.088 0.000 1.056 557 T CA -0.396 61.709 62.100 0.008 0.000 0.947 557 T CB -0.614 68.309 68.868 0.093 0.000 1.016 557 T HN 0.252 nan 8.240 nan 0.000 0.554 558 V N 2.403 122.157 119.914 -0.266 0.000 2.715 558 V HA 0.282 4.402 4.120 0.000 0.000 0.299 558 V C 0.146 176.179 176.094 -0.101 0.000 1.054 558 V CA -0.801 61.324 62.300 -0.293 0.000 1.077 558 V CB 0.106 31.656 31.823 -0.455 0.000 0.972 558 V HN 0.543 nan 8.190 nan 0.000 0.484 559 F N 6.051 125.899 119.950 -0.169 0.000 2.424 559 F HA 0.553 5.080 4.527 0.000 0.000 0.356 559 F C 0.480 176.217 175.800 -0.105 0.000 1.110 559 F CA -0.226 57.700 58.000 -0.123 0.000 1.161 559 F CB 0.291 39.227 39.000 -0.106 0.000 1.115 559 F HN 0.408 nan 8.300 nan 0.000 0.507 560 R N 6.565 126.590 120.500 -0.791 0.000 2.686 560 R HA 0.530 4.870 4.340 0.000 0.000 0.283 560 R C -1.602 174.276 176.300 -0.702 0.000 0.978 560 R CA -1.036 54.731 56.100 -0.555 0.000 0.897 560 R CB 2.149 32.272 30.300 -0.296 0.000 1.192 560 R HN 0.659 nan 8.270 nan 0.000 0.457 561 L N 4.300 125.282 121.223 -0.402 0.000 2.313 561 L HA 0.402 4.742 4.340 0.000 0.000 0.273 561 L C -0.741 176.051 176.870 -0.130 0.000 1.028 561 L CA -0.635 54.019 54.840 -0.310 0.000 0.871 561 L CB 0.515 42.542 42.059 -0.055 0.000 1.242 561 L HN 0.754 nan 8.230 nan 0.000 0.434 562 N N -0.048 118.490 118.700 -0.270 0.000 3.204 562 N HA 0.148 4.888 4.740 0.000 0.000 0.285 562 N C 0.143 175.311 175.510 -0.569 0.000 1.536 562 N CA -0.959 51.847 53.050 -0.407 0.000 0.832 562 N CB 0.227 38.618 38.487 -0.161 0.000 1.645 562 N HN 0.253 nan 8.380 nan 0.000 0.586 563 W N 0.633 121.291 121.300 -1.071 0.000 2.296 563 W HA -0.103 4.557 4.660 0.000 0.000 0.296 563 W C 1.945 178.411 176.519 -0.087 0.000 1.220 563 W CA 3.085 60.099 57.345 -0.552 0.000 1.223 563 W CB -0.930 28.365 29.460 -0.275 0.000 1.139 563 W HN 0.743 nan 8.180 nan 0.000 0.534 564 A N -1.023 121.752 122.820 -0.075 0.000 1.930 564 A HA -0.182 4.139 4.320 0.000 0.000 0.217 564 A C 1.968 179.427 177.584 -0.209 0.000 1.175 564 A CA 2.342 54.284 52.037 -0.157 0.000 0.627 564 A CB -1.256 17.723 19.000 -0.035 0.000 0.815 564 A HN 0.273 nan 8.150 nan 0.000 0.443 565 T N -1.060 113.360 114.554 -0.224 0.000 2.684 565 T HA -0.237 4.113 4.350 0.000 0.000 0.267 565 T C 1.800 176.446 174.700 -0.089 0.000 1.036 565 T CA 1.863 63.788 62.100 -0.292 0.000 1.148 565 T CB -0.536 67.957 68.868 -0.625 0.000 0.863 565 T HN 0.656 nan 8.240 nan 0.000 0.436 566 Y N 1.954 122.271 120.300 0.029 0.000 2.128 566 Y HA -0.097 4.453 4.550 0.000 0.000 0.284 566 Y C 2.006 177.877 175.900 -0.048 0.000 1.154 566 Y CA 1.124 59.314 58.100 0.150 0.000 1.149 566 Y CB -0.721 37.844 38.460 0.175 0.000 0.976 566 Y HN 0.129 nan 8.280 nan 0.000 0.505 567 L N -0.049 120.826 121.223 -0.580 0.000 2.131 567 L HA -0.198 4.142 4.340 0.000 0.000 0.210 567 L C 2.734 179.369 176.870 -0.392 0.000 1.092 567 L CA 1.134 55.574 54.840 -0.668 0.000 0.759 567 L CB -0.861 40.839 42.059 -0.599 0.000 0.903 567 L HN 0.438 nan 8.230 nan 0.000 0.435 568 A N -1.050 121.602 122.820 -0.280 0.000 1.850 568 A HA -0.163 4.157 4.320 0.000 0.000 0.212 568 A C 2.490 179.979 177.584 -0.158 0.000 1.208 568 A CA 1.464 53.383 52.037 -0.196 0.000 0.609 568 A CB -0.769 18.113 19.000 -0.196 0.000 0.860 568 A HN 0.304 nan 8.150 nan 0.000 0.448 569 S N -0.785 114.831 115.700 -0.140 0.000 2.351 569 S HA -0.167 4.303 4.470 0.000 0.000 0.220 569 S C 1.956 176.526 174.600 -0.050 0.000 1.035 569 S CA 2.537 60.696 58.200 -0.067 0.000 1.031 569 S CB -0.594 62.618 63.200 0.020 0.000 0.928 569 S HN 0.553 nan 8.310 nan 0.000 0.433 570 T N 0.963 115.456 114.554 -0.102 0.000 3.035 570 T HA 0.197 4.547 4.350 0.000 0.000 0.259 570 T C 1.239 175.861 174.700 -0.130 0.000 1.078 570 T CA 0.617 62.670 62.100 -0.078 0.000 1.132 570 T CB -0.008 68.858 68.868 -0.004 0.000 0.900 570 T HN 0.383 nan 8.240 nan 0.000 0.480 571 E N 0.958 121.014 120.200 -0.240 0.000 2.526 571 E HA 0.173 4.523 4.350 0.000 0.000 0.208 571 E C -0.257 176.313 176.600 -0.050 0.000 0.997 571 E CA -0.107 56.199 56.400 -0.156 0.000 0.961 571 E CB -0.024 29.525 29.700 -0.251 0.000 1.030 571 E HN 0.510 nan 8.360 nan 0.000 0.483 572 N N 1.147 119.829 118.700 -0.030 0.000 2.696 572 N HA -0.196 4.544 4.740 0.000 0.000 0.256 572 N C -0.869 174.712 175.510 0.119 0.000 1.031 572 N CA 0.425 53.526 53.050 0.085 0.000 0.730 572 N CB -1.282 37.314 38.487 0.182 0.000 0.894 572 N HN 0.235 nan 8.380 nan 0.000 0.544 573 I N 0.758 121.336 120.570 0.013 0.000 2.474 573 I HA 0.387 4.557 4.170 0.000 0.000 0.294 573 I C 0.482 176.575 176.117 -0.040 0.000 1.005 573 I CA -0.989 60.333 61.300 0.037 0.000 1.113 573 I CB 1.497 39.532 38.000 0.059 0.000 1.289 573 I HN 0.078 nan 8.210 nan 0.000 0.436 574 I N 6.339 126.892 120.570 -0.029 0.000 2.396 574 I HA 0.178 4.348 4.170 0.000 0.000 0.289 574 I C -0.361 175.738 176.117 -0.030 0.000 1.056 574 I CA -0.484 60.748 61.300 -0.112 0.000 1.365 574 I CB 0.960 38.879 38.000 -0.134 0.000 1.407 574 I HN 0.178 nan 8.210 nan 0.000 0.509 575 V N 6.652 126.535 119.914 -0.052 0.000 2.328 575 V HA 0.583 4.703 4.120 0.000 0.000 0.278 575 V C 0.430 176.548 176.094 0.041 0.000 1.021 575 V CA -0.398 61.923 62.300 0.036 0.000 0.838 575 V CB 1.114 32.950 31.823 0.023 0.000 0.999 575 V HN 0.860 nan 8.190 nan 0.000 0.447 576 A N 4.102 126.981 122.820 0.099 0.000 2.337 576 A HA 0.951 5.271 4.320 0.000 0.000 0.331 576 A C -0.163 177.575 177.584 0.256 0.000 1.137 576 A CA -0.518 51.581 52.037 0.103 0.000 0.807 576 A CB 1.663 20.613 19.000 -0.083 0.000 1.250 576 A HN 0.689 nan 8.150 nan 0.000 0.468 577 S N -0.121 115.774 115.700 0.324 0.000 2.541 577 S HA 0.696 5.166 4.470 0.000 0.000 0.280 577 S C -1.486 173.453 174.600 0.565 0.000 1.112 577 S CA -0.310 58.125 58.200 0.392 0.000 0.925 577 S CB 1.297 64.665 63.200 0.280 0.000 1.067 577 S HN 0.730 nan 8.310 nan 0.000 0.479 578 F N 2.091 122.265 119.950 0.372 0.000 2.518 578 F HA 0.468 4.996 4.527 0.000 0.000 0.323 578 F C -1.243 174.741 175.800 0.306 0.000 1.129 578 F CA -0.857 57.377 58.000 0.390 0.000 0.920 578 F CB 1.344 40.529 39.000 0.309 0.000 1.160 578 F HN 0.396 nan 8.300 nan 0.000 0.440 579 D N 5.036 125.258 120.400 -0.297 0.000 2.500 579 D HA 0.297 4.937 4.640 0.000 0.000 0.219 579 D C 0.549 176.543 176.300 -0.512 0.000 1.137 579 D CA 0.182 54.053 54.000 -0.215 0.000 0.946 579 D CB 1.145 41.982 40.800 0.063 0.000 1.022 579 D HN 0.750 nan 8.370 nan 0.000 0.518 580 G N 1.104 109.604 108.800 -0.500 0.000 2.666 580 G HA2 0.208 4.168 3.960 0.000 0.000 0.207 580 G HA3 0.208 4.168 3.960 0.000 0.000 0.207 580 G C 0.264 175.099 174.900 -0.109 0.000 1.481 580 G CA -0.640 44.218 45.100 -0.405 0.000 1.071 580 G HN 0.273 nan 8.290 nan 0.000 0.572 581 R N -0.622 119.806 120.500 -0.120 0.000 2.590 581 R HA 0.398 4.738 4.340 0.000 0.000 0.274 581 R C 1.170 177.525 176.300 0.090 0.000 1.061 581 R CA 1.269 57.396 56.100 0.044 0.000 1.081 581 R CB 0.677 30.983 30.300 0.010 0.000 0.984 581 R HN 0.974 nan 8.270 nan 0.000 0.448 582 G N 1.177 110.039 108.800 0.102 0.000 2.279 582 G HA2 -0.325 3.635 3.960 0.000 0.000 0.223 582 G HA3 -0.325 3.635 3.960 0.000 0.000 0.223 582 G C 0.115 175.039 174.900 0.041 0.000 1.015 582 G CA 0.108 45.257 45.100 0.081 0.000 0.621 582 G HN 0.699 nan 8.290 nan 0.000 0.506 583 S N 0.580 116.311 115.700 0.052 0.000 2.576 583 S HA 0.593 5.063 4.470 0.000 0.000 0.272 583 S C 0.863 175.460 174.600 -0.005 0.000 1.352 583 S CA 0.469 58.701 58.200 0.054 0.000 1.021 583 S CB 1.719 64.980 63.200 0.101 0.000 0.887 583 S HN 1.683 nan 8.310 nan 0.000 0.542 584 G N -0.868 107.895 108.800 -0.061 0.000 2.705 584 G HA2 0.517 4.477 3.960 0.000 0.000 0.299 584 G HA3 0.517 4.477 3.960 0.000 0.000 0.299 584 G C -0.868 173.914 174.900 -0.197 0.000 1.315 584 G CA -1.022 43.883 45.100 -0.324 0.000 1.045 584 G HN 0.915 nan 8.290 nan 0.000 0.517 585 Y N -2.586 117.703 120.300 -0.018 0.000 4.929 585 Y HA -0.219 4.331 4.550 0.000 0.000 0.253 585 Y C 1.510 177.411 175.900 0.001 0.000 0.946 585 Y CA 1.116 59.216 58.100 -0.000 0.000 1.905 585 Y CB -1.867 36.611 38.460 0.030 0.000 1.400 585 Y HN 0.502 nan 8.280 nan 0.000 0.531 586 Q N 0.493 120.314 119.800 0.035 0.000 2.165 586 Q HA 0.501 4.841 4.340 0.000 0.000 0.245 586 Q C 1.020 176.917 176.000 -0.172 0.000 0.841 586 Q CA 0.259 56.081 55.803 0.032 0.000 1.078 586 Q CB 1.254 30.021 28.738 0.049 0.000 1.169 586 Q HN 0.548 nan 8.270 nan 0.000 0.475 587 G N 0.817 109.399 108.800 -0.362 0.000 2.787 587 G HA2 -0.233 3.727 3.960 0.000 0.000 0.685 587 G HA3 -0.233 3.727 3.960 0.000 0.000 0.685 587 G C -0.277 174.265 174.900 -0.596 0.000 1.437 587 G CA -0.442 44.178 45.100 -0.800 0.000 0.872 587 G HN 0.241 nan 8.290 nan 0.000 0.566 588 D N -0.108 119.899 120.400 -0.655 0.000 2.264 588 D HA -0.038 4.602 4.640 0.000 0.000 0.208 588 D C 2.220 178.245 176.300 -0.459 0.000 0.966 588 D CA 1.232 54.825 54.000 -0.679 0.000 0.864 588 D CB 0.047 40.427 40.800 -0.701 0.000 0.933 588 D HN 0.545 nan 8.370 nan 0.000 0.499 589 K N 0.294 120.494 120.400 -0.334 0.000 2.097 589 K HA -0.042 4.278 4.320 0.000 0.000 0.205 589 K C 1.948 178.484 176.600 -0.108 0.000 1.050 589 K CA 0.672 56.854 56.287 -0.174 0.000 0.938 589 K CB 0.105 32.525 32.500 -0.132 0.000 0.718 589 K HN 0.136 nan 8.250 nan 0.000 0.442 590 I N 0.252 120.747 120.570 -0.125 0.000 2.480 590 I HA -0.202 3.968 4.170 0.000 0.000 0.251 590 I C 2.540 178.648 176.117 -0.015 0.000 1.124 590 I CA 0.650 61.944 61.300 -0.011 0.000 1.444 590 I CB -0.182 37.832 38.000 0.023 0.000 1.098 590 I HN 0.280 nan 8.210 nan 0.000 0.428 591 M N 0.578 120.095 119.600 -0.139 0.000 2.064 591 M HA -0.203 4.277 4.480 0.000 0.000 0.260 591 M C 2.107 178.422 176.300 0.025 0.000 1.073 591 M CA 1.993 57.226 55.300 -0.112 0.000 1.124 591 M CB -0.350 32.067 32.600 -0.305 0.000 1.326 591 M HN 0.210 nan 8.290 nan 0.000 0.410 592 H N -0.444 118.532 119.070 -0.158 0.000 2.563 592 H HA 0.104 4.660 4.556 0.000 0.000 0.272 592 H C 1.730 177.080 175.328 0.037 0.000 1.005 592 H CA 0.149 56.114 56.048 -0.140 0.000 1.171 592 H CB -0.004 29.588 29.762 -0.284 0.000 1.351 592 H HN 0.541 nan 8.280 nan 0.000 0.602 593 A N 1.299 124.223 122.820 0.174 0.000 2.186 593 A HA -0.114 4.206 4.320 0.000 0.000 0.219 593 A C 2.002 179.801 177.584 0.358 0.000 1.159 593 A CA 1.052 53.217 52.037 0.213 0.000 0.680 593 A CB -0.700 18.376 19.000 0.127 0.000 0.787 593 A HN 0.612 nan 8.150 nan 0.000 0.467 594 I N -4.106 116.641 120.570 0.294 0.000 4.082 594 I HA 0.173 4.343 4.170 0.000 0.000 0.337 594 I C 0.502 176.708 176.117 0.149 0.000 1.352 594 I CA -0.582 60.856 61.300 0.230 0.000 1.097 594 I CB -0.321 37.779 38.000 0.168 0.000 1.048 594 I HN 0.118 nan 8.210 nan 0.000 0.393 595 N N 3.441 122.271 118.700 0.216 0.000 2.292 595 N HA -0.127 4.614 4.740 0.000 0.000 0.258 595 N C 0.218 175.739 175.510 0.018 0.000 1.261 595 N CA 0.739 53.901 53.050 0.186 0.000 0.845 595 N CB 0.345 38.924 38.487 0.153 0.000 1.064 595 N HN 0.386 nan 8.380 nan 0.000 0.471 596 R N 0.775 121.243 120.500 -0.054 0.000 3.863 596 R HA -0.206 4.134 4.340 0.000 0.000 0.313 596 R C 0.161 176.268 176.300 -0.323 0.000 1.202 596 R CA 0.974 56.953 56.100 -0.202 0.000 0.852 596 R CB -1.142 29.031 30.300 -0.212 0.000 1.292 596 R HN 0.685 nan 8.270 nan 0.000 0.519 597 R N 0.363 120.763 120.500 -0.166 0.000 2.470 597 R HA 0.147 4.487 4.340 0.000 0.000 0.354 597 R C -0.960 175.321 176.300 -0.032 0.000 1.058 597 R CA -0.498 55.572 56.100 -0.051 0.000 1.183 597 R CB 0.420 30.678 30.300 -0.070 0.000 1.398 597 R HN -0.105 nan 8.270 nan 0.000 0.679 598 L N 0.245 121.419 121.223 -0.083 0.000 2.439 598 L HA 0.364 4.704 4.340 0.000 0.000 0.269 598 L C 1.316 178.291 176.870 0.175 0.000 1.179 598 L CA 1.650 56.471 54.840 -0.033 0.000 0.828 598 L CB 1.111 42.955 42.059 -0.359 0.000 1.106 598 L HN 0.521 nan 8.230 nan 0.000 0.467 599 G N 1.246 110.238 108.800 0.319 0.000 2.198 599 G HA2 -0.314 3.646 3.960 0.000 0.000 0.257 599 G HA3 -0.314 3.646 3.960 0.000 0.000 0.257 599 G C 0.573 175.528 174.900 0.092 0.000 1.042 599 G CA 1.038 46.321 45.100 0.305 0.000 0.791 599 G HN 0.967 nan 8.290 nan 0.000 0.502 600 T N -4.358 110.215 114.554 0.031 0.000 3.447 600 T HA 0.423 4.774 4.350 0.000 0.000 0.218 600 T C 1.716 176.411 174.700 -0.008 0.000 0.972 600 T CA 1.030 63.077 62.100 -0.089 0.000 1.264 600 T CB 0.049 68.737 68.868 -0.301 0.000 1.284 600 T HN 0.099 nan 8.240 nan 0.000 0.361 601 F N 3.482 123.471 119.950 0.064 0.000 2.084 601 F HA 0.136 4.663 4.527 0.000 0.000 0.296 601 F C 2.855 178.680 175.800 0.041 0.000 1.111 601 F CA 1.291 59.317 58.000 0.043 0.000 1.224 601 F CB -0.743 38.283 39.000 0.045 0.000 0.991 601 F HN 0.427 nan 8.300 nan 0.000 0.471 602 E N 1.077 121.435 120.200 0.263 0.000 2.209 602 E HA -0.185 4.165 4.350 0.000 0.000 0.196 602 E C 2.244 178.938 176.600 0.158 0.000 0.993 602 E CA 1.594 58.105 56.400 0.185 0.000 0.819 602 E CB -1.404 28.396 29.700 0.168 0.000 0.745 602 E HN 0.358 nan 8.360 nan 0.000 0.477 603 V N 0.530 120.520 119.914 0.127 0.000 2.407 603 V HA -0.145 3.975 4.120 0.000 0.000 0.245 603 V C 2.059 178.185 176.094 0.053 0.000 1.041 603 V CA 1.885 64.218 62.300 0.055 0.000 1.040 603 V CB -0.231 31.571 31.823 -0.035 0.000 0.671 603 V HN 0.136 nan 8.190 nan 0.000 0.455 604 E N 0.109 120.357 120.200 0.080 0.000 2.085 604 E HA -0.248 4.102 4.350 0.000 0.000 0.194 604 E C 1.914 178.537 176.600 0.038 0.000 0.994 604 E CA 1.869 58.310 56.400 0.069 0.000 0.801 604 E CB -0.194 29.579 29.700 0.123 0.000 0.743 604 E HN 0.643 nan 8.360 nan 0.000 0.453 605 D N -0.041 120.395 120.400 0.059 0.000 2.218 605 D HA -0.142 4.498 4.640 0.000 0.000 0.204 605 D C 1.844 178.136 176.300 -0.013 0.000 0.976 605 D CA 0.809 54.821 54.000 0.020 0.000 0.853 605 D CB -0.066 40.789 40.800 0.092 0.000 0.939 605 D HN 0.038 nan 8.370 nan 0.000 0.481 606 Q N -0.017 119.828 119.800 0.076 0.000 2.083 606 Q HA 0.057 4.397 4.340 0.000 0.000 0.198 606 Q C 2.069 178.091 176.000 0.036 0.000 0.969 606 Q CA 0.732 56.589 55.803 0.089 0.000 0.838 606 Q CB -0.042 28.781 28.738 0.143 0.000 0.900 606 Q HN 0.316 nan 8.270 nan 0.000 0.436 607 I N 0.221 120.831 120.570 0.066 0.000 2.315 607 I HA -0.209 3.962 4.170 0.000 0.000 0.248 607 I C 2.171 178.241 176.117 -0.079 0.000 1.117 607 I CA 0.873 62.244 61.300 0.119 0.000 1.404 607 I CB -0.261 37.808 38.000 0.114 0.000 1.071 607 I HN 0.189 nan 8.210 nan 0.000 0.419 608 E N 1.464 121.566 120.200 -0.163 0.000 2.031 608 E HA -0.184 4.166 4.350 0.000 0.000 0.193 608 E C 2.312 178.625 176.600 -0.479 0.000 0.994 608 E CA 1.699 57.942 56.400 -0.263 0.000 0.800 608 E CB -0.307 29.253 29.700 -0.235 0.000 0.752 608 E HN 0.419 nan 8.360 nan 0.000 0.447 609 A N 1.055 123.418 122.820 -0.762 0.000 1.940 609 A HA -0.159 4.161 4.320 0.000 0.000 0.219 609 A C 2.414 179.265 177.584 -1.221 0.000 1.176 609 A CA 2.425 53.682 52.037 -1.299 0.000 0.631 609 A CB -0.744 17.125 19.000 -1.885 0.000 0.814 609 A HN 0.314 nan 8.150 nan 0.000 0.446 610 A N -0.176 122.298 122.820 -0.578 0.000 1.883 610 A HA -0.191 4.129 4.320 0.000 0.000 0.217 610 A C 2.262 179.648 177.584 -0.329 0.000 1.186 610 A CA 1.547 53.403 52.037 -0.301 0.000 0.624 610 A CB -0.502 18.394 19.000 -0.174 0.000 0.822 610 A HN 0.564 nan 8.150 nan 0.000 0.444 611 R N -0.668 119.631 120.500 -0.335 0.000 2.080 611 R HA -0.154 4.186 4.340 0.000 0.000 0.236 611 R C 2.399 178.540 176.300 -0.265 0.000 1.137 611 R CA 1.558 57.500 56.100 -0.263 0.000 0.943 611 R CB -0.489 29.679 30.300 -0.219 0.000 0.846 611 R HN 0.613 nan 8.270 nan 0.000 0.431 612 Q N -0.156 119.422 119.800 -0.370 0.000 2.181 612 Q HA -0.163 4.177 4.340 0.000 0.000 0.205 612 Q C 2.035 177.899 176.000 -0.227 0.000 0.980 612 Q CA 1.342 56.947 55.803 -0.330 0.000 0.862 612 Q CB -0.191 28.279 28.738 -0.447 0.000 0.905 612 Q HN 0.297 nan 8.270 nan 0.000 0.429 613 F N 1.069 120.850 119.950 -0.282 0.000 2.146 613 F HA -0.134 4.393 4.527 0.000 0.000 0.298 613 F C 2.773 178.381 175.800 -0.319 0.000 1.096 613 F CA 1.204 59.024 58.000 -0.301 0.000 1.275 613 F CB -1.214 37.646 39.000 -0.234 0.000 1.008 613 F HN 0.079 nan 8.300 nan 0.000 0.480 614 S N -0.260 115.393 115.700 -0.077 0.000 2.368 614 S HA -0.148 4.322 4.470 0.000 0.000 0.224 614 S C 1.958 176.461 174.600 -0.162 0.000 1.029 614 S CA 0.671 58.789 58.200 -0.136 0.000 0.988 614 S CB -0.486 62.637 63.200 -0.129 0.000 0.838 614 S HN 0.174 nan 8.310 nan 0.000 0.462 615 K N 1.019 121.330 120.400 -0.148 0.000 2.362 615 K HA 0.074 4.394 4.320 0.000 0.000 0.202 615 K C 1.741 178.251 176.600 -0.149 0.000 1.045 615 K CA 1.003 57.211 56.287 -0.132 0.000 0.936 615 K CB -0.456 31.973 32.500 -0.120 0.000 0.747 615 K HN 0.537 nan 8.250 nan 0.000 0.467 616 M N -1.060 118.401 119.600 -0.231 0.000 2.619 616 M HA -0.044 4.436 4.480 0.000 0.000 0.251 616 M C 1.308 177.387 176.300 -0.369 0.000 1.106 616 M CA 0.884 55.996 55.300 -0.313 0.000 1.086 616 M CB 0.117 32.426 32.600 -0.485 0.000 1.465 616 M HN 0.401 nan 8.290 nan 0.000 0.506 617 G N 1.034 109.656 108.800 -0.296 0.000 2.363 617 G HA2 -0.333 3.627 3.960 0.000 0.000 0.238 617 G HA3 -0.333 3.627 3.960 0.000 0.000 0.238 617 G C 0.526 175.392 174.900 -0.057 0.000 1.062 617 G CA 0.484 45.500 45.100 -0.139 0.000 0.629 617 G HN 0.603 nan 8.290 nan 0.000 0.514 618 F N 1.097 121.110 119.950 0.105 0.000 2.693 618 F HA 0.749 5.276 4.527 0.000 0.000 0.303 618 F C 0.281 176.216 175.800 0.225 0.000 1.143 618 F CA -1.129 56.982 58.000 0.185 0.000 1.389 618 F CB -0.065 39.118 39.000 0.304 0.000 1.060 618 F HN 0.113 nan 8.300 nan 0.000 0.535 619 V N 1.286 121.227 119.914 0.045 0.000 2.495 619 V HA 0.162 4.282 4.120 0.000 0.000 0.298 619 V C -0.506 175.587 176.094 -0.002 0.000 1.031 619 V CA -0.956 61.377 62.300 0.054 0.000 0.871 619 V CB 1.609 33.379 31.823 -0.087 0.000 0.988 619 V HN 0.057 nan 8.190 nan 0.000 0.432 620 D N 4.219 124.613 120.400 -0.010 0.000 2.357 620 D HA -0.011 4.629 4.640 0.000 0.000 0.265 620 D C 1.354 177.600 176.300 -0.090 0.000 1.334 620 D CA 0.654 54.611 54.000 -0.072 0.000 0.984 620 D CB 0.010 40.736 40.800 -0.123 0.000 1.077 620 D HN 0.629 nan 8.370 nan 0.000 0.514 621 N N 2.744 121.396 118.700 -0.080 0.000 2.122 621 N HA -0.299 4.441 4.740 0.000 0.000 0.199 621 N C 0.641 176.101 175.510 -0.084 0.000 1.007 621 N CA 1.554 54.552 53.050 -0.087 0.000 0.892 621 N CB 0.158 38.599 38.487 -0.076 0.000 1.050 621 N HN 0.339 nan 8.380 nan 0.000 0.468 622 K N 0.136 120.494 120.400 -0.071 0.000 2.493 622 K HA 0.241 4.561 4.320 0.000 0.000 0.207 622 K C -0.033 176.547 176.600 -0.033 0.000 1.033 622 K CA 0.201 56.460 56.287 -0.045 0.000 1.161 622 K CB 0.446 32.928 32.500 -0.031 0.000 0.873 622 K HN 0.009 nan 8.250 nan 0.000 0.491 623 R N 1.443 121.891 120.500 -0.086 0.000 2.655 623 R HA 0.363 4.703 4.340 0.000 0.000 0.261 623 R C -1.049 175.159 176.300 -0.153 0.000 1.624 623 R CA -0.196 55.811 56.100 -0.154 0.000 1.655 623 R CB 0.544 30.589 30.300 -0.425 0.000 1.356 623 R HN 0.202 nan 8.270 nan 0.000 0.684 624 I N 1.026 121.657 120.570 0.101 0.000 2.362 624 I HA 0.558 4.728 4.170 0.000 0.000 0.289 624 I C 0.196 176.613 176.117 0.502 0.000 0.994 624 I CA -0.801 60.623 61.300 0.207 0.000 1.158 624 I CB 1.807 39.777 38.000 -0.050 0.000 1.315 624 I HN 0.247 nan 8.210 nan 0.000 0.451 625 A N 7.174 130.395 122.820 0.669 0.000 2.309 625 A HA 0.935 5.255 4.320 0.000 0.000 0.317 625 A C -0.919 177.028 177.584 0.605 0.000 1.134 625 A CA -0.682 51.716 52.037 0.601 0.000 0.866 625 A CB 2.192 21.417 19.000 0.375 0.000 1.329 625 A HN 0.761 nan 8.150 nan 0.000 0.477 626 I N 0.034 120.869 120.570 0.441 0.000 2.752 626 I HA 0.670 4.840 4.170 0.000 0.000 0.295 626 I C -2.107 174.266 176.117 0.428 0.000 1.219 626 I CA -0.544 60.952 61.300 0.326 0.000 1.030 626 I CB 1.753 39.685 38.000 -0.114 0.000 1.259 626 I HN 0.947 nan 8.210 nan 0.000 0.423 627 W N 7.020 128.449 121.300 0.216 0.000 3.363 627 W HA 0.801 5.461 4.660 0.000 0.000 0.306 627 W C -1.481 175.196 176.519 0.264 0.000 1.253 627 W CA -0.829 56.656 57.345 0.232 0.000 1.195 627 W CB 0.903 30.541 29.460 0.298 0.000 1.366 627 W HN 0.834 nan 8.180 nan 0.000 0.551 628 G N 1.142 109.878 108.800 -0.105 0.000 2.608 628 G HA2 0.551 4.511 3.960 0.000 0.000 0.291 628 G HA3 0.551 4.511 3.960 0.000 0.000 0.291 628 G C -2.785 172.116 174.900 0.001 0.000 1.425 628 G CA -0.720 44.186 45.100 -0.323 0.000 0.787 628 G HN 0.612 nan 8.290 nan 0.000 0.484 629 W N 0.650 121.885 121.300 -0.109 0.000 2.819 629 W HA 0.571 5.231 4.660 0.000 0.000 0.337 629 W C 0.654 177.266 176.519 0.156 0.000 1.077 629 W CA 0.359 57.718 57.345 0.023 0.000 1.226 629 W CB 1.690 31.150 29.460 -0.000 0.000 1.419 629 W HN 1.071 nan 8.180 nan 0.000 0.502 630 S N 1.837 117.821 115.700 0.473 0.000 4.116 630 S HA -0.424 4.046 4.470 0.000 0.000 0.623 630 S C 0.832 175.572 174.600 0.233 0.000 1.933 630 S CA 1.547 60.010 58.200 0.439 0.000 4.224 630 S CB -1.550 62.037 63.200 0.645 0.000 0.208 630 S HN 0.751 nan 8.310 nan 0.000 0.527 631 Y N 2.903 123.252 120.300 0.082 0.000 2.151 631 Y HA -0.125 4.425 4.550 0.000 0.000 0.284 631 Y C 2.481 178.379 175.900 -0.003 0.000 1.166 631 Y CA 2.554 60.621 58.100 -0.053 0.000 1.163 631 Y CB -1.094 37.129 38.460 -0.395 0.000 0.974 631 Y HN 0.578 nan 8.280 nan 0.000 0.511 632 G N -1.096 107.842 108.800 0.230 0.000 2.442 632 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 632 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 632 G C 1.921 176.903 174.900 0.136 0.000 1.141 632 G CA 0.857 46.076 45.100 0.197 0.000 0.763 632 G HN 0.608 nan 8.290 nan 0.000 0.554 633 G N -0.273 108.615 108.800 0.146 0.000 2.408 633 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 633 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 633 G C 1.600 176.556 174.900 0.094 0.000 1.150 633 G CA 1.070 46.231 45.100 0.102 0.000 0.776 633 G HN 0.432 nan 8.290 nan 0.000 0.542 634 Y N 1.476 121.721 120.300 -0.091 0.000 2.114 634 Y HA -0.149 4.401 4.550 0.000 0.000 0.284 634 Y C 2.757 178.594 175.900 -0.106 0.000 1.143 634 Y CA 1.675 59.667 58.100 -0.181 0.000 1.135 634 Y CB -0.543 37.664 38.460 -0.420 0.000 0.980 634 Y HN 0.034 nan 8.280 nan 0.000 0.499 635 V N -0.107 119.714 119.914 -0.156 0.000 2.233 635 V HA -0.374 3.746 4.120 0.000 0.000 0.247 635 V C 2.344 178.335 176.094 -0.171 0.000 1.050 635 V CA 2.593 64.779 62.300 -0.189 0.000 1.010 635 V CB -1.421 30.436 31.823 0.055 0.000 0.637 635 V HN 0.501 nan 8.190 nan 0.000 0.444 636 T N 0.179 114.692 114.554 -0.068 0.000 2.624 636 T HA -0.293 4.058 4.350 0.000 0.000 0.266 636 T C 2.092 176.728 174.700 -0.107 0.000 1.050 636 T CA 2.340 64.401 62.100 -0.065 0.000 1.163 636 T CB -0.402 68.507 68.868 0.069 0.000 0.861 636 T HN 0.532 nan 8.240 nan 0.000 0.443 637 S N 0.702 116.371 115.700 -0.052 0.000 2.355 637 S HA -0.012 4.458 4.470 0.000 0.000 0.222 637 S C 2.155 176.665 174.600 -0.150 0.000 1.031 637 S CA 1.014 59.195 58.200 -0.032 0.000 0.993 637 S CB -0.298 62.941 63.200 0.065 0.000 0.859 637 S HN 0.336 nan 8.310 nan 0.000 0.453 638 M N 1.038 120.470 119.600 -0.280 0.000 2.149 638 M HA -0.054 4.426 4.480 0.000 0.000 0.261 638 M C 2.185 178.320 176.300 -0.274 0.000 1.064 638 M CA 1.047 56.161 55.300 -0.310 0.000 1.102 638 M CB -1.416 30.899 32.600 -0.475 0.000 1.369 638 M HN 0.179 nan 8.290 nan 0.000 0.408 639 V N 0.730 120.474 119.914 -0.283 0.000 2.261 639 V HA -0.255 3.865 4.120 0.000 0.000 0.246 639 V C 2.516 178.402 176.094 -0.347 0.000 1.047 639 V CA 1.524 63.650 62.300 -0.289 0.000 1.015 639 V CB -0.717 30.868 31.823 -0.397 0.000 0.642 639 V HN 0.394 nan 8.190 nan 0.000 0.446 640 L N 0.587 121.542 121.223 -0.445 0.000 2.187 640 L HA -0.111 4.229 4.340 0.000 0.000 0.213 640 L C 2.399 178.727 176.870 -0.905 0.000 1.100 640 L CA 1.601 56.096 54.840 -0.575 0.000 0.765 640 L CB -0.890 40.810 42.059 -0.599 0.000 0.904 640 L HN 0.490 nan 8.230 nan 0.000 0.437 641 G N -1.161 107.099 108.800 -0.901 0.000 2.712 641 G HA2 -0.149 3.811 3.960 0.000 0.000 0.212 641 G HA3 -0.149 3.811 3.960 0.000 0.000 0.212 641 G C 1.669 176.364 174.900 -0.341 0.000 1.142 641 G CA 0.665 45.306 45.100 -0.764 0.000 0.789 641 G HN 0.467 nan 8.290 nan 0.000 0.535 642 S N -0.019 115.520 115.700 -0.268 0.000 2.522 642 S HA 0.261 4.732 4.470 0.000 0.000 0.227 642 S C 1.942 176.480 174.600 -0.103 0.000 0.986 642 S CA 0.978 59.092 58.200 -0.143 0.000 0.929 642 S CB -0.401 62.739 63.200 -0.100 0.000 0.769 642 S HN 1.362 nan 8.310 nan 0.000 0.529 643 G N 1.613 110.336 108.800 -0.129 0.000 2.321 643 G HA2 -0.331 3.629 3.960 0.000 0.000 0.287 643 G HA3 -0.331 3.629 3.960 0.000 0.000 0.287 643 G C 0.781 175.662 174.900 -0.032 0.000 1.018 643 G CA 0.798 45.854 45.100 -0.075 0.000 0.855 643 G HN 1.343 nan 8.290 nan 0.000 0.507 644 S N -1.137 114.557 115.700 -0.009 0.000 2.561 644 S HA 0.342 4.812 4.470 0.000 0.000 0.225 644 S C 2.406 177.010 174.600 0.006 0.000 0.977 644 S CA 1.237 59.443 58.200 0.010 0.000 0.926 644 S CB -0.023 63.206 63.200 0.049 0.000 0.769 644 S HN 2.309 nan 8.310 nan 0.000 0.533 645 G N 0.587 109.397 108.800 0.017 0.000 2.228 645 G HA2 -0.337 3.623 3.960 0.000 0.000 0.270 645 G HA3 -0.337 3.623 3.960 0.000 0.000 0.270 645 G C 0.836 175.724 174.900 -0.020 0.000 0.976 645 G CA 0.549 45.653 45.100 0.006 0.000 0.636 645 G HN 0.711 nan 8.290 nan 0.000 0.542 646 V N -0.748 119.133 119.914 -0.054 0.000 2.626 646 V HA 0.200 4.320 4.120 0.000 0.000 0.252 646 V C 1.124 176.977 176.094 -0.401 0.000 1.067 646 V CA 1.578 63.708 62.300 -0.284 0.000 1.081 646 V CB -0.398 31.133 31.823 -0.486 0.000 0.686 646 V HN 0.325 nan 8.190 nan 0.000 0.468 647 F N -0.614 119.351 119.950 0.024 0.000 2.482 647 F HA 0.427 4.954 4.527 0.000 0.000 0.331 647 F C 0.966 176.815 175.800 0.082 0.000 1.115 647 F CA -0.723 57.319 58.000 0.070 0.000 0.955 647 F CB 1.773 40.813 39.000 0.067 0.000 1.136 647 F HN -0.313 nan 8.300 nan 0.000 0.452 648 K N 1.502 122.079 120.400 0.296 0.000 2.098 648 K HA 0.111 4.431 4.320 0.000 0.000 0.203 648 K C -0.209 176.543 176.600 0.253 0.000 1.051 648 K CA 1.015 57.441 56.287 0.233 0.000 0.957 648 K CB 0.262 32.903 32.500 0.235 0.000 0.738 648 K HN 0.789 nan 8.250 nan 0.000 0.447 649 c N -3.078 115.714 118.600 0.320 0.000 3.306 649 c HA 0.864 5.434 4.570 0.000 0.000 0.335 649 c C -0.226 174.090 174.090 0.377 0.000 1.382 649 c CA -0.801 55.734 56.329 0.343 0.000 1.254 649 c CB 1.027 43.727 42.510 0.317 0.000 1.555 649 c HN 0.338 nan 8.230 nan 0.000 0.463 650 G N -0.210 108.851 108.800 0.436 0.000 2.692 650 G HA2 0.774 4.734 3.960 0.000 0.000 0.291 650 G HA3 0.774 4.734 3.960 0.000 0.000 0.291 650 G C -1.979 173.131 174.900 0.350 0.000 1.423 650 G CA -0.737 44.594 45.100 0.386 0.000 0.843 650 G HN 0.971 nan 8.290 nan 0.000 0.486 651 I N 0.888 121.643 120.570 0.308 0.000 2.468 651 I HA 0.566 4.736 4.170 0.000 0.000 0.285 651 I C 0.132 176.389 176.117 0.234 0.000 1.039 651 I CA -0.860 60.519 61.300 0.132 0.000 1.074 651 I CB 2.203 40.249 38.000 0.077 0.000 1.228 651 I HN 0.616 nan 8.210 nan 0.000 0.436 652 A N 6.637 129.509 122.820 0.087 0.000 2.273 652 A HA 0.765 5.085 4.320 0.000 0.000 0.315 652 A C -0.670 176.859 177.584 -0.091 0.000 1.256 652 A CA -0.495 51.595 52.037 0.088 0.000 0.851 652 A CB 0.979 20.098 19.000 0.198 0.000 1.172 652 A HN 0.442 nan 8.150 nan 0.000 0.508 653 V N 2.375 122.185 119.914 -0.173 0.000 2.347 653 V HA 0.550 4.670 4.120 0.000 0.000 0.280 653 V C 0.892 176.596 176.094 -0.650 0.000 1.021 653 V CA 0.424 62.390 62.300 -0.558 0.000 0.847 653 V CB 0.603 31.810 31.823 -1.027 0.000 0.990 653 V HN 2.074 nan 8.190 nan 0.000 0.444 654 A N 5.872 128.312 122.820 -0.633 0.000 2.610 654 A HA -0.094 4.227 4.320 0.000 0.000 0.299 654 A C -1.823 175.657 177.584 -0.174 0.000 1.487 654 A CA 0.262 51.873 52.037 -0.710 0.000 0.743 654 A CB -1.584 17.042 19.000 -0.624 0.000 1.070 654 A HN 0.607 nan 8.150 nan 0.000 0.439 655 P HA 0.399 nan 4.420 nan 0.000 0.278 655 P C 0.324 177.616 177.300 -0.013 0.000 1.238 655 P CA -0.088 63.019 63.100 0.011 0.000 0.794 655 P CB 1.199 32.927 31.700 0.047 0.000 0.955 656 V N 2.569 122.379 119.914 -0.172 0.000 2.715 656 V HA 0.041 4.161 4.120 0.000 0.000 0.299 656 V C 1.759 177.678 176.094 -0.292 0.000 1.054 656 V CA 1.183 63.232 62.300 -0.418 0.000 1.077 656 V CB 0.640 31.825 31.823 -1.062 0.000 0.972 656 V HN 0.849 nan 8.190 nan 0.000 0.484 657 S N 3.415 118.971 115.700 -0.241 0.000 2.619 657 S HA 0.255 4.725 4.470 0.000 0.000 0.238 657 S C 0.412 174.893 174.600 -0.200 0.000 1.068 657 S CA -0.359 57.782 58.200 -0.098 0.000 0.926 657 S CB 0.379 63.586 63.200 0.011 0.000 0.864 657 S HN 0.858 nan 8.310 nan 0.000 0.493 658 R N -1.097 119.179 120.500 -0.373 0.000 2.522 658 R HA 0.468 4.808 4.340 0.000 0.000 0.273 658 R C -0.902 175.108 176.300 -0.483 0.000 1.133 658 R CA -0.856 54.960 56.100 -0.473 0.000 0.969 658 R CB -0.307 29.742 30.300 -0.417 0.000 1.235 658 R HN 0.122 nan 8.270 nan 0.000 0.433 659 W N 1.539 122.769 121.300 -0.118 0.000 2.341 659 W HA -0.094 4.566 4.660 0.000 0.000 0.283 659 W C 1.149 177.781 176.519 0.188 0.000 1.215 659 W CA 1.161 58.521 57.345 0.025 0.000 1.211 659 W CB 0.124 29.564 29.460 -0.033 0.000 1.131 659 W HN 0.742 nan 8.180 nan 0.000 0.552 660 E N -1.043 119.317 120.200 0.267 0.000 2.265 660 E HA -0.215 4.135 4.350 0.000 0.000 0.196 660 E C 1.462 178.158 176.600 0.160 0.000 0.996 660 E CA 1.012 57.490 56.400 0.130 0.000 0.832 660 E CB -0.292 29.372 29.700 -0.060 0.000 0.756 660 E HN 0.386 nan 8.360 nan 0.000 0.491 661 Y N -1.345 119.046 120.300 0.152 0.000 2.475 661 Y HA 0.006 4.556 4.550 0.000 0.000 0.289 661 Y C 0.887 176.884 175.900 0.162 0.000 1.121 661 Y CA -0.126 58.037 58.100 0.106 0.000 1.257 661 Y CB -0.553 37.917 38.460 0.018 0.000 1.026 661 Y HN 0.031 nan 8.280 nan 0.000 0.555 662 Y N 2.119 122.570 120.300 0.252 0.000 2.334 662 Y HA 0.245 4.795 4.550 0.000 0.000 0.325 662 Y C 0.466 176.568 175.900 0.336 0.000 1.308 662 Y CA -1.914 56.340 58.100 0.256 0.000 1.389 662 Y CB 0.279 38.923 38.460 0.307 0.000 1.328 662 Y HN 0.219 nan 8.280 nan 0.000 0.532 663 D N -0.264 119.830 120.400 -0.511 0.000 2.368 663 D HA 0.075 4.715 4.640 0.000 0.000 0.240 663 D C 0.936 177.217 176.300 -0.031 0.000 1.169 663 D CA 0.419 54.200 54.000 -0.365 0.000 0.906 663 D CB 0.929 41.311 40.800 -0.697 0.000 1.187 663 D HN 0.483 nan 8.370 nan 0.000 0.435 664 S N 1.148 116.830 115.700 -0.030 0.000 2.345 664 S HA -0.184 4.286 4.470 0.000 0.000 0.219 664 S C 1.972 176.593 174.600 0.035 0.000 1.031 664 S CA 1.001 59.237 58.200 0.060 0.000 0.984 664 S CB -0.954 62.285 63.200 0.065 0.000 0.874 664 S HN 0.415 nan 8.310 nan 0.000 0.451 665 V N 1.015 120.891 119.914 -0.064 0.000 2.278 665 V HA -0.223 3.897 4.120 0.000 0.000 0.251 665 V C 2.294 178.292 176.094 -0.160 0.000 1.062 665 V CA 2.485 64.648 62.300 -0.229 0.000 1.038 665 V CB -1.026 30.519 31.823 -0.462 0.000 0.646 665 V HN 0.658 nan 8.190 nan 0.000 0.447 666 Y N 0.871 121.107 120.300 -0.106 0.000 2.130 666 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 666 Y C 2.766 178.669 175.900 0.005 0.000 1.124 666 Y CA 2.334 60.441 58.100 0.012 0.000 1.118 666 Y CB -0.553 38.100 38.460 0.322 0.000 0.994 666 Y HN 0.189 nan 8.280 nan 0.000 0.497 667 T N 0.410 115.161 114.554 0.329 0.000 2.684 667 T HA -0.203 4.147 4.350 0.000 0.000 0.267 667 T C 1.545 176.209 174.700 -0.061 0.000 1.036 667 T CA 2.004 64.222 62.100 0.196 0.000 1.148 667 T CB -0.280 68.854 68.868 0.443 0.000 0.863 667 T HN 0.440 nan 8.240 nan 0.000 0.436 668 E N 0.396 120.584 120.200 -0.020 0.000 2.208 668 E HA -0.052 4.299 4.350 0.000 0.000 0.193 668 E C 2.304 178.771 176.600 -0.221 0.000 0.988 668 E CA 0.343 56.721 56.400 -0.037 0.000 0.828 668 E CB -0.094 29.631 29.700 0.041 0.000 0.763 668 E HN 0.337 nan 8.360 nan 0.000 0.478 669 R N 0.212 120.436 120.500 -0.460 0.000 2.133 669 R HA -0.224 4.116 4.340 0.000 0.000 0.247 669 R C 1.223 176.990 176.300 -0.889 0.000 1.151 669 R CA 1.726 57.358 56.100 -0.779 0.000 0.971 669 R CB -0.080 29.467 30.300 -1.255 0.000 0.866 669 R HN 0.236 nan 8.270 nan 0.000 0.447 670 Y N -2.079 117.907 120.300 -0.524 0.000 2.522 670 Y HA 0.227 4.777 4.550 0.000 0.000 0.277 670 Y C 1.796 177.497 175.900 -0.333 0.000 1.104 670 Y CA 0.106 57.902 58.100 -0.506 0.000 1.260 670 Y CB 0.385 38.431 38.460 -0.690 0.000 1.151 670 Y HN -0.029 nan 8.280 nan 0.000 0.539 671 M N -0.493 118.983 119.600 -0.206 0.000 2.308 671 M HA 0.357 4.838 4.480 0.000 0.000 0.269 671 M C 1.075 177.348 176.300 -0.044 0.000 1.040 671 M CA 0.768 55.925 55.300 -0.237 0.000 1.024 671 M CB -0.251 32.025 32.600 -0.540 0.000 1.465 671 M HN 0.338 nan 8.290 nan 0.000 0.517 672 G N 1.939 110.742 108.800 0.006 0.000 2.601 672 G HA2 -0.211 3.749 3.960 0.000 0.000 0.252 672 G HA3 -0.211 3.749 3.960 0.000 0.000 0.252 672 G C -0.512 174.506 174.900 0.196 0.000 1.294 672 G CA -0.796 44.349 45.100 0.074 0.000 0.912 672 G HN 0.229 nan 8.290 nan 0.000 0.574 673 L N 1.912 123.217 121.223 0.137 0.000 2.375 673 L HA 0.459 4.799 4.340 0.000 0.000 0.271 673 L C -1.387 175.490 176.870 0.012 0.000 1.107 673 L CA -2.032 52.851 54.840 0.072 0.000 0.806 673 L CB 0.694 42.761 42.059 0.014 0.000 1.146 673 L HN 0.462 nan 8.230 nan 0.000 0.447 674 P HA 0.096 nan 4.420 nan 0.000 0.220 674 P C -0.356 176.818 177.300 -0.211 0.000 1.806 674 P CA -0.093 62.656 63.100 -0.585 0.000 0.976 674 P CB -0.335 30.691 31.700 -1.124 0.000 1.952 675 T N -2.496 112.016 114.554 -0.069 0.000 2.924 675 T HA 0.509 4.859 4.350 0.000 0.000 0.291 675 T C -2.276 172.431 174.700 0.011 0.000 1.045 675 T CA -2.435 59.648 62.100 -0.029 0.000 1.015 675 T CB 1.892 70.748 68.868 -0.019 0.000 1.103 675 T HN -0.280 nan 8.240 nan 0.000 0.496 676 P HA -0.007 nan 4.420 nan 0.000 0.217 676 P C 0.896 178.214 177.300 0.030 0.000 1.150 676 P CA 0.964 64.080 63.100 0.027 0.000 0.832 676 P CB 0.013 31.724 31.700 0.018 0.000 0.787 677 E N -1.076 119.136 120.200 0.020 0.000 2.418 677 E HA -0.089 4.261 4.350 0.000 0.000 0.197 677 E C 1.271 177.885 176.600 0.024 0.000 1.026 677 E CA 0.777 57.188 56.400 0.018 0.000 0.862 677 E CB -0.398 29.307 29.700 0.009 0.000 0.799 677 E HN 0.338 nan 8.360 nan 0.000 0.518 678 D N -0.541 119.880 120.400 0.034 0.000 3.435 678 D HA 0.122 4.762 4.640 0.000 0.000 0.209 678 D C 0.088 176.433 176.300 0.074 0.000 1.157 678 D CA -0.218 53.808 54.000 0.044 0.000 1.322 678 D CB -0.018 40.808 40.800 0.043 0.000 0.924 678 D HN -0.019 nan 8.370 nan 0.000 0.180 679 N N 0.139 118.913 118.700 0.123 0.000 2.282 679 N HA 0.040 4.780 4.740 0.000 0.000 0.240 679 N C 1.380 177.088 175.510 0.330 0.000 1.182 679 N CA -0.135 53.023 53.050 0.181 0.000 0.874 679 N CB 0.655 39.219 38.487 0.128 0.000 1.126 679 N HN 0.031 nan 8.380 nan 0.000 0.516 680 L N 1.078 122.442 121.223 0.234 0.000 2.129 680 L HA -0.187 4.153 4.340 0.000 0.000 0.212 680 L C 1.441 178.452 176.870 0.236 0.000 1.087 680 L CA 1.911 56.876 54.840 0.209 0.000 0.757 680 L CB -0.479 41.617 42.059 0.062 0.000 0.896 680 L HN 0.202 nan 8.230 nan 0.000 0.434 681 D N -1.124 119.395 120.400 0.198 0.000 2.104 681 D HA -0.230 4.410 4.640 0.000 0.000 0.194 681 D C 2.001 178.385 176.300 0.140 0.000 0.994 681 D CA 1.786 55.870 54.000 0.141 0.000 0.830 681 D CB -0.310 40.557 40.800 0.112 0.000 0.959 681 D HN 0.605 nan 8.370 nan 0.000 0.452 682 H N -0.996 118.128 119.070 0.089 0.000 2.491 682 H HA -0.080 4.476 4.556 0.000 0.000 0.290 682 H C 1.894 177.256 175.328 0.056 0.000 1.050 682 H CA 0.597 56.667 56.048 0.037 0.000 1.309 682 H CB 0.100 29.842 29.762 -0.034 0.000 1.392 682 H HN 0.278 nan 8.280 nan 0.000 0.554 683 Y N 0.941 121.342 120.300 0.169 0.000 2.163 683 Y HA -0.156 4.394 4.550 0.000 0.000 0.288 683 Y C 2.678 178.638 175.900 0.099 0.000 1.136 683 Y CA 1.013 59.201 58.100 0.146 0.000 1.147 683 Y CB 0.075 38.598 38.460 0.105 0.000 0.987 683 Y HN -0.005 nan 8.280 nan 0.000 0.509 684 R N -0.171 120.464 120.500 0.226 0.000 2.075 684 R HA -0.144 4.196 4.340 0.000 0.000 0.232 684 R C 1.779 178.121 176.300 0.070 0.000 1.126 684 R CA 1.231 57.398 56.100 0.112 0.000 0.963 684 R CB -1.018 29.328 30.300 0.078 0.000 0.858 684 R HN 0.302 nan 8.270 nan 0.000 0.435 685 N N 0.995 119.725 118.700 0.049 0.000 2.443 685 N HA -0.102 4.638 4.740 0.000 0.000 0.184 685 N C 0.754 176.280 175.510 0.027 0.000 1.037 685 N CA 1.188 54.237 53.050 -0.002 0.000 0.896 685 N CB 0.054 38.485 38.487 -0.093 0.000 0.959 685 N HN 0.185 nan 8.380 nan 0.000 0.442 686 S N -1.608 114.146 115.700 0.090 0.000 2.601 686 S HA 0.137 4.607 4.470 0.000 0.000 0.244 686 S C 0.352 175.063 174.600 0.185 0.000 1.001 686 S CA -0.529 57.763 58.200 0.153 0.000 0.984 686 S CB -0.645 62.705 63.200 0.250 0.000 0.842 686 S HN 0.228 nan 8.310 nan 0.000 0.474 687 T N -1.514 113.098 114.554 0.097 0.000 2.899 687 T HA 0.515 4.865 4.350 0.000 0.000 0.284 687 T C 1.295 176.029 174.700 0.055 0.000 1.004 687 T CA -0.541 61.594 62.100 0.059 0.000 1.043 687 T CB 1.272 70.142 68.868 0.002 0.000 1.013 687 T HN -0.029 nan 8.240 nan 0.000 0.518 688 V N 1.902 121.844 119.914 0.047 0.000 2.488 688 V HA -0.117 4.003 4.120 0.000 0.000 0.246 688 V C 2.698 178.795 176.094 0.006 0.000 1.046 688 V CA 1.511 63.825 62.300 0.023 0.000 1.053 688 V CB -0.788 31.044 31.823 0.016 0.000 0.679 688 V HN 0.870 nan 8.190 nan 0.000 0.458 689 M N 1.053 120.641 119.600 -0.019 0.000 2.279 689 M HA -0.096 4.384 4.480 0.000 0.000 0.264 689 M C 2.258 178.552 176.300 -0.009 0.000 1.062 689 M CA 2.003 57.280 55.300 -0.038 0.000 1.099 689 M CB -2.031 30.550 32.600 -0.032 0.000 1.394 689 M HN 0.533 nan 8.290 nan 0.000 0.426 690 S N 0.967 116.672 115.700 0.009 0.000 2.474 690 S HA -0.060 4.410 4.470 0.000 0.000 0.235 690 S C 1.734 176.351 174.600 0.028 0.000 0.997 690 S CA 0.678 58.887 58.200 0.015 0.000 0.949 690 S CB -0.500 62.707 63.200 0.012 0.000 0.766 690 S HN 0.586 nan 8.310 nan 0.000 0.517 691 R N 0.767 121.300 120.500 0.056 0.000 2.427 691 R HA 0.493 4.833 4.340 0.000 0.000 0.262 691 R C 2.074 178.499 176.300 0.209 0.000 0.943 691 R CA 0.439 56.596 56.100 0.094 0.000 1.081 691 R CB -0.310 30.035 30.300 0.075 0.000 1.166 691 R HN 0.433 nan 8.270 nan 0.000 0.534 692 A N 1.458 124.353 122.820 0.125 0.000 1.903 692 A HA -0.314 4.006 4.320 0.000 0.000 0.219 692 A C 2.038 179.730 177.584 0.180 0.000 1.191 692 A CA 2.044 54.128 52.037 0.079 0.000 0.638 692 A CB -0.329 18.640 19.000 -0.051 0.000 0.823 692 A HN 0.310 nan 8.150 nan 0.000 0.451 693 E N 0.504 120.769 120.200 0.109 0.000 2.097 693 E HA -0.207 4.143 4.350 0.000 0.000 0.196 693 E C 1.576 178.237 176.600 0.102 0.000 1.000 693 E CA 1.980 58.433 56.400 0.089 0.000 0.804 693 E CB -0.567 29.163 29.700 0.051 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.252 117.498 118.700 0.084 0.000 2.550 694 N HA -0.051 4.689 4.740 0.000 0.000 0.186 694 N C 0.757 176.240 175.510 -0.045 0.000 1.110 694 N CA 0.109 53.156 53.050 -0.006 0.000 0.912 694 N CB -0.098 38.330 38.487 -0.098 0.000 0.968 694 N HN 0.155 nan 8.380 nan 0.000 0.448 695 F N 1.381 121.297 119.950 -0.057 0.000 2.661 695 F HA 0.058 4.585 4.527 0.000 0.000 0.298 695 F C 1.868 177.676 175.800 0.013 0.000 1.137 695 F CA 0.524 58.486 58.000 -0.063 0.000 1.454 695 F CB 0.106 39.029 39.000 -0.128 0.000 1.103 695 F HN -0.080 nan 8.300 nan 0.000 0.577 696 K N 0.150 120.652 120.400 0.170 0.000 2.362 696 K HA -0.225 4.095 4.320 0.000 0.000 0.202 696 K C 1.138 177.800 176.600 0.104 0.000 1.045 696 K CA 1.210 57.576 56.287 0.132 0.000 0.936 696 K CB -0.279 32.279 32.500 0.096 0.000 0.747 696 K HN 0.439 nan 8.250 nan 0.000 0.467 697 Q N 0.185 120.027 119.800 0.071 0.000 2.247 697 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 697 Q C -0.079 175.965 176.000 0.072 0.000 0.872 697 Q CA -0.262 55.574 55.803 0.056 0.000 0.951 697 Q CB 1.030 29.781 28.738 0.021 0.000 1.099 697 Q HN 0.120 nan 8.270 nan 0.000 0.501 698 V N -3.650 116.328 119.914 0.106 0.000 3.130 698 V HA 0.516 4.636 4.120 0.000 0.000 0.310 698 V C -1.291 174.948 176.094 0.241 0.000 1.158 698 V CA -1.248 61.141 62.300 0.148 0.000 1.029 698 V CB 2.451 34.326 31.823 0.086 0.000 1.057 698 V HN -0.026 nan 8.190 nan 0.000 0.436 699 E N 1.824 122.196 120.200 0.287 0.000 2.146 699 E HA 0.439 4.789 4.350 0.000 0.000 0.282 699 E C -1.822 175.124 176.600 0.578 0.000 0.989 699 E CA -0.383 56.251 56.400 0.390 0.000 0.799 699 E CB 1.530 31.412 29.700 0.302 0.000 1.088 699 E HN 0.662 nan 8.360 nan 0.000 0.397 700 Y N 3.600 124.136 120.300 0.393 0.000 2.377 700 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 700 Y C -1.310 174.689 175.900 0.164 0.000 1.011 700 Y CA -1.359 56.923 58.100 0.304 0.000 1.093 700 Y CB 0.909 39.562 38.460 0.321 0.000 1.201 700 Y HN 0.412 nan 8.280 nan 0.000 0.455 701 L N 7.921 128.925 121.223 -0.365 0.000 2.343 701 L HA 0.469 4.809 4.340 0.000 0.000 0.278 701 L C -1.746 174.727 176.870 -0.663 0.000 0.996 701 L CA -0.722 53.757 54.840 -0.601 0.000 0.831 701 L CB 1.243 42.682 42.059 -1.033 0.000 1.232 701 L HN 0.625 nan 8.230 nan 0.000 0.413 702 L N 6.387 127.298 121.223 -0.521 0.000 2.313 702 L HA 0.611 4.951 4.340 0.000 0.000 0.283 702 L C -0.904 175.866 176.870 -0.166 0.000 1.013 702 L CA -0.531 54.066 54.840 -0.404 0.000 0.816 702 L CB 1.739 43.611 42.059 -0.311 0.000 1.236 702 L HN 0.585 nan 8.230 nan 0.000 0.419 703 I N 3.224 123.710 120.570 -0.140 0.000 2.619 703 I HA 0.410 4.581 4.170 0.000 0.000 0.292 703 I C -1.214 174.896 176.117 -0.013 0.000 1.100 703 I CA -0.740 60.535 61.300 -0.041 0.000 1.043 703 I CB 2.329 40.276 38.000 -0.089 0.000 1.239 703 I HN 0.613 nan 8.210 nan 0.000 0.420 704 H N 2.247 121.372 119.070 0.091 0.000 3.086 704 H HA 0.491 5.047 4.556 0.000 0.000 0.353 704 H C -0.293 175.275 175.328 0.400 0.000 1.134 704 H CA -0.517 55.619 56.048 0.146 0.000 1.248 704 H CB 2.120 31.875 29.762 -0.012 0.000 1.878 704 H HN 0.791 nan 8.280 nan 0.000 0.527 705 G N 1.071 110.186 108.800 0.525 0.000 2.403 705 G HA2 0.194 4.154 3.960 0.000 0.000 0.259 705 G HA3 0.194 4.154 3.960 0.000 0.000 0.259 705 G C 1.162 176.358 174.900 0.494 0.000 1.244 705 G CA 0.162 45.547 45.100 0.475 0.000 0.849 705 G HN 0.753 nan 8.290 nan 0.000 0.532 706 T N -0.691 114.006 114.554 0.239 0.000 2.995 706 T HA 0.108 4.458 4.350 0.000 0.000 0.269 706 T C 1.679 176.341 174.700 -0.062 0.000 1.091 706 T CA 1.261 63.297 62.100 -0.107 0.000 1.128 706 T CB 0.151 68.891 68.868 -0.215 0.000 0.891 706 T HN 0.700 nan 8.240 nan 0.000 0.492 707 A N 1.099 123.961 122.820 0.069 0.000 2.833 707 A HA 0.318 4.638 4.320 0.000 0.000 0.293 707 A C 0.291 177.834 177.584 -0.069 0.000 1.338 707 A CA -0.537 51.499 52.037 -0.003 0.000 0.959 707 A CB -0.357 18.900 19.000 0.427 0.000 1.094 707 A HN 0.381 nan 8.150 nan 0.000 0.569 708 D N 1.501 121.891 120.400 -0.016 0.000 2.346 708 D HA 0.013 4.653 4.640 0.000 0.000 0.260 708 D C 0.214 176.476 176.300 -0.063 0.000 1.252 708 D CA 0.173 54.258 54.000 0.142 0.000 0.895 708 D CB 0.771 41.823 40.800 0.420 0.000 1.097 708 D HN 0.572 nan 8.370 nan 0.000 0.489 709 D N 2.030 122.449 120.400 0.031 0.000 2.350 709 D HA -0.075 4.565 4.640 0.000 0.000 0.213 709 D C 0.948 177.259 176.300 0.018 0.000 1.031 709 D CA 0.010 53.988 54.000 -0.036 0.000 0.861 709 D CB 0.297 41.019 40.800 -0.129 0.000 0.926 709 D HN 0.412 nan 8.370 nan 0.000 0.520 710 N N 0.079 118.871 118.700 0.154 0.000 2.426 710 N HA -0.012 4.728 4.740 0.000 0.000 0.205 710 N C -0.206 175.275 175.510 -0.049 0.000 1.040 710 N CA 0.122 53.281 53.050 0.182 0.000 0.990 710 N CB 0.790 39.363 38.487 0.143 0.000 1.215 710 N HN -0.191 nan 8.380 nan 0.000 0.491 711 V N 2.618 122.529 119.914 -0.005 0.000 2.304 711 V HA 0.197 4.317 4.120 0.000 0.000 0.262 711 V C -0.807 175.395 176.094 0.179 0.000 1.061 711 V CA -0.306 62.040 62.300 0.076 0.000 0.872 711 V CB -0.269 31.641 31.823 0.145 0.000 1.077 711 V HN 0.336 nan 8.190 nan 0.000 0.480 712 H N 2.851 121.930 119.070 0.014 0.000 2.929 712 H HA -0.016 4.540 4.556 0.000 0.000 0.358 712 H C 0.823 176.036 175.328 -0.191 0.000 1.111 712 H CA -0.039 55.938 56.048 -0.118 0.000 1.409 712 H CB 0.823 30.425 29.762 -0.267 0.000 1.373 712 H HN 0.581 nan 8.280 nan 0.000 0.610 713 F N 1.692 121.475 119.950 -0.278 0.000 2.120 713 F HA -0.318 4.209 4.527 0.000 0.000 0.300 713 F C 2.669 178.194 175.800 -0.459 0.000 1.095 713 F CA 1.930 59.560 58.000 -0.617 0.000 1.249 713 F CB -0.255 38.545 39.000 -0.333 0.000 0.995 713 F HN 0.687 nan 8.300 nan 0.000 0.480 714 Q N 0.096 119.781 119.800 -0.192 0.000 2.188 714 Q HA -0.377 3.963 4.340 0.000 0.000 0.217 714 Q C 2.121 177.875 176.000 -0.410 0.000 1.018 714 Q CA 2.712 58.335 55.803 -0.301 0.000 0.910 714 Q CB -0.425 28.094 28.738 -0.366 0.000 0.979 714 Q HN 0.600 nan 8.270 nan 0.000 0.413 715 Q N -0.378 119.212 119.800 -0.351 0.000 2.030 715 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 715 Q C 2.373 178.256 176.000 -0.195 0.000 0.986 715 Q CA 1.818 57.521 55.803 -0.167 0.000 0.843 715 Q CB -0.245 28.482 28.738 -0.019 0.000 0.904 715 Q HN 0.362 nan 8.270 nan 0.000 0.420 716 S N 0.929 116.416 115.700 -0.355 0.000 2.368 716 S HA -0.107 4.363 4.470 0.000 0.000 0.225 716 S C 2.096 176.465 174.600 -0.385 0.000 1.030 716 S CA 0.942 58.933 58.200 -0.348 0.000 0.999 716 S CB -0.267 62.683 63.200 -0.417 0.000 0.844 716 S HN 0.500 nan 8.310 nan 0.000 0.459 717 A N 1.202 123.701 122.820 -0.534 0.000 1.978 717 A HA -0.159 4.161 4.320 0.000 0.000 0.220 717 A C 2.136 179.629 177.584 -0.152 0.000 1.170 717 A CA 1.251 53.112 52.037 -0.293 0.000 0.636 717 A CB -0.432 18.454 19.000 -0.189 0.000 0.810 717 A HN 0.367 nan 8.150 nan 0.000 0.448 718 Q N -0.540 119.171 119.800 -0.149 0.000 2.187 718 Q HA 0.014 4.354 4.340 0.000 0.000 0.199 718 Q C 2.141 178.101 176.000 -0.067 0.000 0.957 718 Q CA 0.905 56.670 55.803 -0.063 0.000 0.857 718 Q CB -0.293 28.460 28.738 0.025 0.000 0.929 718 Q HN 0.784 nan 8.270 nan 0.000 0.453 719 I N 1.052 121.559 120.570 -0.106 0.000 2.099 719 I HA -0.319 3.851 4.170 0.000 0.000 0.239 719 I C 2.591 178.572 176.117 -0.225 0.000 1.066 719 I CA 1.593 62.793 61.300 -0.167 0.000 1.324 719 I CB -0.581 37.318 38.000 -0.167 0.000 1.037 719 I HN 0.204 nan 8.210 nan 0.000 0.401 720 S N 1.000 116.591 115.700 -0.181 0.000 2.374 720 S HA -0.318 4.152 4.470 0.000 0.000 0.227 720 S C 2.073 176.666 174.600 -0.011 0.000 1.037 720 S CA 1.817 59.956 58.200 -0.102 0.000 1.024 720 S CB -0.504 62.769 63.200 0.121 0.000 0.861 720 S HN 0.388 nan 8.310 nan 0.000 0.456 721 K N 1.492 121.883 120.400 -0.015 0.000 2.026 721 K HA -0.007 4.313 4.320 0.000 0.000 0.208 721 K C 2.368 178.958 176.600 -0.016 0.000 1.048 721 K CA 1.219 57.510 56.287 0.007 0.000 0.929 721 K CB -0.745 31.754 32.500 -0.002 0.000 0.713 721 K HN 0.476 nan 8.250 nan 0.000 0.439 722 A N 1.148 123.931 122.820 -0.062 0.000 1.908 722 A HA -0.142 4.178 4.320 0.000 0.000 0.218 722 A C 2.100 179.630 177.584 -0.090 0.000 1.181 722 A CA 1.436 53.430 52.037 -0.072 0.000 0.627 722 A CB -0.637 18.304 19.000 -0.097 0.000 0.818 722 A HN 0.333 nan 8.150 nan 0.000 0.445 723 L N -0.737 120.382 121.223 -0.174 0.000 2.093 723 L HA -0.125 4.215 4.340 0.000 0.000 0.208 723 L C 2.482 179.370 176.870 0.031 0.000 1.085 723 L CA 0.826 55.564 54.840 -0.169 0.000 0.755 723 L CB -0.559 41.215 42.059 -0.474 0.000 0.904 723 L HN 0.239 nan 8.230 nan 0.000 0.435 724 V N -0.195 119.778 119.914 0.098 0.000 2.358 724 V HA -0.263 3.857 4.120 0.000 0.000 0.246 724 V C 1.948 178.089 176.094 0.078 0.000 1.047 724 V CA 1.771 64.157 62.300 0.143 0.000 1.035 724 V CB -0.450 31.457 31.823 0.141 0.000 0.658 724 V HN 0.422 nan 8.190 nan 0.000 0.452 725 D N -0.392 120.035 120.400 0.045 0.000 2.310 725 D HA -0.071 4.569 4.640 0.000 0.000 0.212 725 D C 1.708 178.028 176.300 0.033 0.000 0.965 725 D CA 0.871 54.890 54.000 0.032 0.000 0.879 725 D CB 0.234 41.045 40.800 0.019 0.000 0.921 725 D HN 0.357 nan 8.370 nan 0.000 0.510 726 V N -0.628 119.308 119.914 0.035 0.000 3.578 726 V HA 0.222 4.342 4.120 0.000 0.000 0.290 726 V C 1.353 177.482 176.094 0.057 0.000 1.376 726 V CA 0.604 62.927 62.300 0.039 0.000 1.083 726 V CB 0.420 32.260 31.823 0.029 0.000 0.911 726 V HN 0.303 nan 8.190 nan 0.000 0.433 727 G N 0.994 109.836 108.800 0.071 0.000 2.182 727 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 727 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 727 G C 0.060 175.027 174.900 0.112 0.000 1.042 727 G CA 0.290 45.441 45.100 0.084 0.000 0.775 727 G HN 0.402 nan 8.290 nan 0.000 0.501 728 V N 0.205 120.204 119.914 0.143 0.000 2.509 728 V HA 0.501 4.621 4.120 0.000 0.000 0.284 728 V C 0.475 176.751 176.094 0.304 0.000 1.047 728 V CA -0.532 61.883 62.300 0.191 0.000 0.952 728 V CB 1.771 33.693 31.823 0.164 0.000 0.988 728 V HN 0.364 nan 8.190 nan 0.000 0.469 729 D N 3.096 123.662 120.400 0.278 0.000 2.264 729 D HA 0.686 5.326 4.640 0.000 0.000 0.249 729 D C -0.615 175.958 176.300 0.454 0.000 1.070 729 D CA 0.230 54.398 54.000 0.279 0.000 0.912 729 D CB 0.988 41.878 40.800 0.149 0.000 1.193 729 D HN 0.374 nan 8.370 nan 0.000 0.427 730 F N -0.710 119.315 119.950 0.125 0.000 2.858 730 F HA 0.362 4.889 4.527 0.000 0.000 0.319 730 F C -1.940 173.910 175.800 0.084 0.000 1.166 730 F CA -1.181 56.907 58.000 0.148 0.000 0.899 730 F CB 0.613 39.721 39.000 0.181 0.000 1.332 730 F HN 0.230 nan 8.300 nan 0.000 0.461 731 Q N 2.133 121.951 119.800 0.030 0.000 2.337 731 Q HA 0.848 5.188 4.340 0.000 0.000 0.266 731 Q C -1.297 174.690 176.000 -0.022 0.000 1.023 731 Q CA -0.800 54.917 55.803 -0.143 0.000 0.829 731 Q CB 2.448 31.168 28.738 -0.031 0.000 1.306 731 Q HN 1.172 nan 8.270 nan 0.000 0.449 732 A N 2.524 125.297 122.820 -0.079 0.000 2.269 732 A HA 0.855 5.175 4.320 0.000 0.000 0.327 732 A C -0.662 176.911 177.584 -0.019 0.000 1.112 732 A CA -0.722 51.346 52.037 0.052 0.000 0.865 732 A CB 1.329 20.424 19.000 0.159 0.000 1.227 732 A HN 0.807 nan 8.150 nan 0.000 0.498 733 M N 0.855 120.454 119.600 -0.001 0.000 2.310 733 M HA 0.451 4.931 4.480 0.000 0.000 0.242 733 M C -1.620 174.651 176.300 -0.049 0.000 1.000 733 M CA -0.310 54.883 55.300 -0.178 0.000 0.970 733 M CB 0.895 33.361 32.600 -0.223 0.000 2.191 733 M HN 0.877 nan 8.290 nan 0.000 0.470 734 W N 4.189 125.401 121.300 -0.148 0.000 2.332 734 W HA 0.783 5.443 4.660 0.000 0.000 0.351 734 W C -1.846 174.474 176.519 -0.333 0.000 1.195 734 W CA -0.645 56.683 57.345 -0.029 0.000 1.334 734 W CB 0.380 29.855 29.460 0.026 0.000 1.206 734 W HN 0.604 nan 8.180 nan 0.000 0.637 735 Y N 1.681 122.143 120.300 0.270 0.000 2.402 735 Y HA 0.269 4.819 4.550 0.000 0.000 0.325 735 Y C 0.285 176.313 175.900 0.212 0.000 1.009 735 Y CA -1.140 57.020 58.100 0.100 0.000 1.278 735 Y CB 1.390 39.871 38.460 0.035 0.000 1.105 735 Y HN 0.408 nan 8.280 nan 0.000 0.476 736 T N 4.626 119.361 114.554 0.301 0.000 2.822 736 T HA -0.034 4.316 4.350 0.000 0.000 0.288 736 T C 0.232 175.022 174.700 0.150 0.000 0.991 736 T CA 0.849 63.083 62.100 0.222 0.000 1.176 736 T CB -0.140 68.798 68.868 0.117 0.000 0.951 736 T HN 0.714 nan 8.240 nan 0.000 0.526 737 D N 0.756 121.224 120.400 0.113 0.000 3.046 737 D HA -0.125 4.515 4.640 0.000 0.000 0.210 737 D C 0.381 176.815 176.300 0.224 0.000 1.124 737 D CA 1.152 55.173 54.000 0.035 0.000 0.986 737 D CB -0.354 40.281 40.800 -0.274 0.000 1.118 737 D HN 0.553 nan 8.370 nan 0.000 0.416 738 E N 0.883 121.226 120.200 0.238 0.000 2.349 738 E HA 0.307 4.657 4.350 0.000 0.000 0.265 738 E C 0.827 177.593 176.600 0.276 0.000 1.064 738 E CA -0.131 56.419 56.400 0.250 0.000 0.886 738 E CB 1.080 30.913 29.700 0.221 0.000 1.036 738 E HN 0.368 nan 8.360 nan 0.000 0.413 739 D N -0.585 119.984 120.400 0.282 0.000 2.570 739 D HA 0.013 4.653 4.640 0.000 0.000 0.266 739 D C 1.016 177.513 176.300 0.328 0.000 1.182 739 D CA -0.228 53.960 54.000 0.312 0.000 1.088 739 D CB -0.283 40.728 40.800 0.351 0.000 1.186 739 D HN 0.415 nan 8.370 nan 0.000 0.618 740 H N -1.460 117.775 119.070 0.275 0.000 2.491 740 H HA 0.144 4.700 4.556 0.000 0.000 0.290 740 H C 1.890 177.456 175.328 0.396 0.000 1.050 740 H CA 2.015 58.248 56.048 0.309 0.000 1.309 740 H CB -0.362 29.576 29.762 0.294 0.000 1.392 740 H HN 0.484 nan 8.280 nan 0.000 0.554 741 G N 0.076 109.035 108.800 0.265 0.000 2.511 741 G HA2 -0.059 3.901 3.960 0.000 0.000 0.217 741 G HA3 -0.059 3.901 3.960 0.000 0.000 0.217 741 G C 0.765 175.822 174.900 0.263 0.000 1.133 741 G CA 0.344 45.541 45.100 0.163 0.000 0.792 741 G HN 0.538 nan 8.290 nan 0.000 0.539 742 I N 0.170 120.905 120.570 0.275 0.000 5.158 742 I HA -0.336 3.834 4.170 0.000 0.000 0.126 742 I C 1.556 177.766 176.117 0.155 0.000 1.344 742 I CA 0.255 61.658 61.300 0.172 0.000 2.637 742 I CB -1.210 36.835 38.000 0.075 0.000 2.338 742 I HN 0.290 nan 8.210 nan 0.000 0.320 743 A N 0.921 123.819 122.820 0.130 0.000 2.390 743 A HA 0.241 4.561 4.320 0.000 0.000 0.232 743 A C 1.193 178.816 177.584 0.064 0.000 1.233 743 A CA 0.583 52.666 52.037 0.076 0.000 0.907 743 A CB 0.207 19.229 19.000 0.037 0.000 0.967 743 A HN 0.628 nan 8.150 nan 0.000 0.512 744 S N -0.252 115.504 115.700 0.094 0.000 2.576 744 S HA 0.150 4.620 4.470 0.000 0.000 0.272 744 S C 1.278 175.932 174.600 0.090 0.000 1.352 744 S CA 0.415 58.668 58.200 0.088 0.000 1.021 744 S CB 1.018 64.279 63.200 0.103 0.000 0.887 744 S HN 0.551 nan 8.310 nan 0.000 0.542 745 S N 1.684 117.427 115.700 0.072 0.000 2.359 745 S HA -0.180 4.290 4.470 0.000 0.000 0.223 745 S C 2.052 176.712 174.600 0.100 0.000 1.039 745 S CA 2.265 60.511 58.200 0.076 0.000 1.042 745 S CB -1.603 61.626 63.200 0.048 0.000 0.915 745 S HN 1.067 nan 8.310 nan 0.000 0.439 746 T N -0.717 113.885 114.554 0.081 0.000 2.942 746 T HA 0.310 4.660 4.350 0.000 0.000 0.265 746 T C 1.926 176.684 174.700 0.097 0.000 1.062 746 T CA 1.061 63.208 62.100 0.079 0.000 1.139 746 T CB -0.660 68.245 68.868 0.063 0.000 0.883 746 T HN 0.452 nan 8.240 nan 0.000 0.468 747 A N 1.647 124.516 122.820 0.082 0.000 1.872 747 A HA -0.049 4.271 4.320 0.000 0.000 0.214 747 A C 2.192 179.770 177.584 -0.011 0.000 1.187 747 A CA 1.868 53.916 52.037 0.018 0.000 0.614 747 A CB -1.292 17.689 19.000 -0.031 0.000 0.826 747 A HN 0.715 nan 8.150 nan 0.000 0.442 748 H N -0.247 118.812 119.070 -0.018 0.000 2.319 748 H HA -0.195 4.361 4.556 0.000 0.000 0.297 748 H C 2.089 177.461 175.328 0.073 0.000 1.097 748 H CA 2.465 58.536 56.048 0.039 0.000 1.285 748 H CB -0.311 29.479 29.762 0.046 0.000 1.368 748 H HN 0.551 nan 8.280 nan 0.000 0.495 749 Q N -1.144 118.596 119.800 -0.100 0.000 2.084 749 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 749 Q C 2.302 178.260 176.000 -0.069 0.000 0.978 749 Q CA 1.551 57.267 55.803 -0.145 0.000 0.844 749 Q CB -0.186 28.527 28.738 -0.041 0.000 0.898 749 Q HN 0.630 nan 8.270 nan 0.000 0.426 750 H N 0.057 119.085 119.070 -0.070 0.000 2.357 750 H HA -0.085 4.471 4.556 0.000 0.000 0.301 750 H C 2.047 177.363 175.328 -0.020 0.000 1.082 750 H CA 1.448 57.488 56.048 -0.012 0.000 1.342 750 H CB 0.014 29.821 29.762 0.075 0.000 1.389 750 H HN 0.316 nan 8.280 nan 0.000 0.511 751 I N 0.002 120.561 120.570 -0.017 0.000 2.202 751 I HA -0.303 3.867 4.170 0.000 0.000 0.242 751 I C 1.875 177.804 176.117 -0.313 0.000 1.091 751 I CA 1.097 62.296 61.300 -0.169 0.000 1.368 751 I CB -0.290 37.415 38.000 -0.492 0.000 1.058 751 I HN 0.092 nan 8.210 nan 0.000 0.410 752 Y N 1.079 121.198 120.300 -0.302 0.000 2.224 752 Y HA -0.236 4.314 4.550 0.000 0.000 0.289 752 Y C 2.731 178.487 175.900 -0.239 0.000 1.146 752 Y CA 1.965 59.792 58.100 -0.454 0.000 1.182 752 Y CB -1.057 37.109 38.460 -0.490 0.000 0.983 752 Y HN 0.175 nan 8.280 nan 0.000 0.524 753 T N -1.575 112.957 114.554 -0.036 0.000 2.674 753 T HA -0.264 4.086 4.350 0.000 0.000 0.265 753 T C 1.619 176.340 174.700 0.034 0.000 1.039 753 T CA 1.976 64.068 62.100 -0.013 0.000 1.150 753 T CB -0.537 68.267 68.868 -0.106 0.000 0.864 753 T HN 0.424 nan 8.240 nan 0.000 0.427 754 H N 0.348 119.341 119.070 -0.128 0.000 2.387 754 H HA 0.100 4.656 4.556 0.000 0.000 0.299 754 H C 2.173 177.525 175.328 0.039 0.000 1.090 754 H CA 1.536 57.543 56.048 -0.069 0.000 1.332 754 H CB -0.247 29.471 29.762 -0.073 0.000 1.386 754 H HN 0.260 nan 8.280 nan 0.000 0.516 755 M N -0.961 118.615 119.600 -0.040 0.000 2.099 755 M HA -0.160 4.320 4.480 0.000 0.000 0.262 755 M C 2.495 178.940 176.300 0.243 0.000 1.067 755 M CA 1.604 56.878 55.300 -0.043 0.000 1.124 755 M CB 0.081 32.456 32.600 -0.376 0.000 1.353 755 M HN 0.182 nan 8.290 nan 0.000 0.410 756 S N -0.717 115.204 115.700 0.369 0.000 2.359 756 S HA -0.278 4.192 4.470 0.000 0.000 0.223 756 S C 1.761 176.537 174.600 0.293 0.000 1.039 756 S CA 2.003 60.510 58.200 0.511 0.000 1.042 756 S CB -0.761 62.758 63.200 0.531 0.000 0.915 756 S HN 0.585 nan 8.310 nan 0.000 0.439 757 H N 0.225 119.371 119.070 0.127 0.000 2.353 757 H HA -0.157 4.400 4.556 0.000 0.000 0.298 757 H C 1.906 177.247 175.328 0.022 0.000 1.103 757 H CA 2.000 58.079 56.048 0.052 0.000 1.293 757 H CB -0.393 29.370 29.762 0.002 0.000 1.372 757 H HN 0.405 nan 8.280 nan 0.000 0.501 758 F N 0.369 120.322 119.950 0.005 0.000 2.134 758 F HA -0.183 4.344 4.527 0.000 0.000 0.299 758 F C 2.071 177.805 175.800 -0.110 0.000 1.097 758 F CA 1.267 59.228 58.000 -0.063 0.000 1.264 758 F CB -0.231 38.702 39.000 -0.111 0.000 1.001 758 F HN 0.196 nan 8.300 nan 0.000 0.479 759 I N 0.742 121.309 120.570 -0.005 0.000 2.202 759 I HA -0.245 3.925 4.170 0.000 0.000 0.242 759 I C 2.281 178.175 176.117 -0.371 0.000 1.091 759 I CA 1.366 62.503 61.300 -0.272 0.000 1.368 759 I CB -1.037 36.893 38.000 -0.117 0.000 1.058 759 I HN 0.207 nan 8.210 nan 0.000 0.410 760 K N 0.221 120.517 120.400 -0.173 0.000 2.032 760 K HA -0.255 4.065 4.320 0.000 0.000 0.209 760 K C 2.013 178.518 176.600 -0.159 0.000 1.048 760 K CA 1.465 57.687 56.287 -0.108 0.000 0.927 760 K CB -0.322 32.129 32.500 -0.082 0.000 0.712 760 K HN 0.397 nan 8.250 nan 0.000 0.441 761 Q N 0.444 120.070 119.800 -0.291 0.000 2.124 761 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 761 Q C 2.321 178.184 176.000 -0.229 0.000 0.977 761 Q CA 1.471 57.111 55.803 -0.272 0.000 0.850 761 Q CB -0.120 28.417 28.738 -0.336 0.000 0.901 761 Q HN 0.406 nan 8.270 nan 0.000 0.429 762 c N -0.247 118.129 118.600 -0.372 0.000 2.446 762 c HA -0.026 4.544 4.570 0.000 0.000 0.279 762 c C 1.695 175.798 174.090 0.023 0.000 1.366 762 c CA 0.142 56.293 56.329 -0.297 0.000 1.763 762 c CB -1.021 41.141 42.510 -0.580 0.000 1.929 762 c HN 0.530 nan 8.230 nan 0.000 0.509 763 F N 1.639 121.524 119.950 -0.108 0.000 2.693 763 F HA 0.255 4.782 4.527 0.000 0.000 0.303 763 F C 1.647 177.414 175.800 -0.055 0.000 1.097 763 F CA 0.204 58.171 58.000 -0.055 0.000 1.330 763 F CB -1.229 37.752 39.000 -0.033 0.000 1.067 763 F HN 0.182 nan 8.300 nan 0.000 0.565 764 S N 0.876 116.634 115.700 0.097 0.000 3.581 764 S HA -0.222 4.248 4.470 0.000 0.000 0.354 764 S C 0.195 174.813 174.600 0.030 0.000 1.059 764 S CA 0.151 58.371 58.200 0.033 0.000 1.060 764 S CB -1.970 61.243 63.200 0.023 0.000 0.908 764 S HN 0.229 nan 8.310 nan 0.000 0.475 765 L N 1.897 123.145 121.223 0.041 0.000 2.312 765 L HA 0.503 4.843 4.340 0.000 0.000 0.281 765 L C -1.048 175.823 176.870 0.002 0.000 1.070 765 L CA -1.522 53.336 54.840 0.030 0.000 0.805 765 L CB 0.512 42.607 42.059 0.060 0.000 1.174 765 L HN 0.099 nan 8.230 nan 0.000 0.434 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.105 63.100 0.008 0.000 0.800 766 P CB 0.000 31.705 31.700 0.009 0.000 0.726