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 2qtb_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.737 174.700 0.062 0.000 1.109 39 T CA 0.000 62.129 62.100 0.049 0.000 1.349 39 T CB 0.000 68.892 68.868 0.039 0.000 0.612 40 R N 2.850 123.393 120.500 0.072 0.000 2.694 40 R HA 0.494 4.834 4.340 0.001 0.000 0.268 40 R C 0.383 176.737 176.300 0.091 0.000 1.061 40 R CA -0.575 55.573 56.100 0.080 0.000 1.133 40 R CB 0.263 30.610 30.300 0.079 0.000 1.020 40 R HN 0.405 nan 8.270 nan 0.000 0.475 41 K N 0.667 121.127 120.400 0.100 0.000 2.132 41 K HA 0.171 4.492 4.320 0.001 0.000 0.240 41 K C -0.127 176.547 176.600 0.123 0.000 1.036 41 K CA -0.567 55.788 56.287 0.112 0.000 0.888 41 K CB 0.560 33.136 32.500 0.126 0.000 1.071 41 K HN 0.799 nan 8.250 nan 0.000 0.502 42 T N -2.593 112.043 114.554 0.137 0.000 2.937 42 T HA 0.189 4.540 4.350 0.001 0.000 0.283 42 T C -0.888 173.946 174.700 0.224 0.000 1.012 42 T CA -0.816 61.378 62.100 0.156 0.000 0.997 42 T CB 0.596 69.548 68.868 0.141 0.000 1.136 42 T HN 0.531 nan 8.240 nan 0.000 0.551 43 Y N 2.392 122.764 120.300 0.120 0.000 2.452 43 Y HA 0.413 4.964 4.550 0.001 0.000 0.348 43 Y C 0.893 176.959 175.900 0.277 0.000 0.985 43 Y CA -0.336 57.876 58.100 0.187 0.000 1.214 43 Y CB 0.041 38.569 38.460 0.113 0.000 1.136 43 Y HN 1.040 nan 8.280 nan 0.000 0.523 44 T N 2.351 116.901 114.554 -0.006 0.000 2.862 44 T HA 0.154 4.504 4.350 0.001 0.000 0.276 44 T C 0.890 175.505 174.700 -0.142 0.000 0.974 44 T CA -0.689 61.469 62.100 0.097 0.000 0.966 44 T CB 1.168 70.056 68.868 0.034 0.000 1.072 44 T HN 0.673 nan 8.240 nan 0.000 0.538 45 L N 0.682 121.648 121.223 -0.428 0.000 2.056 45 L HA 0.068 4.408 4.340 0.001 0.000 0.207 45 L C 2.626 179.340 176.870 -0.260 0.000 1.078 45 L CA 2.069 56.506 54.840 -0.672 0.000 0.749 45 L CB -1.452 40.078 42.059 -0.883 0.000 0.901 45 L HN 0.945 nan 8.230 nan 0.000 0.433 46 T N -0.420 114.015 114.554 -0.198 0.000 2.788 46 T HA -0.154 4.197 4.350 0.001 0.000 0.268 46 T C 1.454 176.061 174.700 -0.155 0.000 1.044 46 T CA 1.464 63.480 62.100 -0.141 0.000 1.139 46 T CB -0.343 68.467 68.868 -0.097 0.000 0.867 46 T HN 0.400 nan 8.240 nan 0.000 0.454 47 D N 0.134 120.406 120.400 -0.213 0.000 2.117 47 D HA -0.089 4.552 4.640 0.001 0.000 0.197 47 D C 1.725 177.921 176.300 -0.173 0.000 0.987 47 D CA 0.991 54.833 54.000 -0.263 0.000 0.829 47 D CB -0.382 40.155 40.800 -0.439 0.000 0.961 47 D HN 0.427 nan 8.370 nan 0.000 0.460 48 Y N 1.544 121.663 120.300 -0.302 0.000 2.163 48 Y HA -0.108 4.443 4.550 0.001 0.000 0.288 48 Y C 2.163 178.070 175.900 0.011 0.000 1.136 48 Y CA 1.224 59.321 58.100 -0.004 0.000 1.147 48 Y CB -0.571 37.933 38.460 0.074 0.000 0.987 48 Y HN -0.101 nan 8.280 nan 0.000 0.509 49 L N -0.009 121.033 121.223 -0.303 0.000 2.093 49 L HA -0.160 4.181 4.340 0.001 0.000 0.208 49 L C 1.752 178.515 176.870 -0.179 0.000 1.085 49 L CA 1.298 55.945 54.840 -0.321 0.000 0.755 49 L CB -0.441 41.501 42.059 -0.195 0.000 0.904 49 L HN 0.066 nan 8.230 nan 0.000 0.435 50 K N -0.110 120.209 120.400 -0.134 0.000 2.387 50 K HA 0.133 4.454 4.320 0.001 0.000 0.198 50 K C 0.043 176.594 176.600 -0.082 0.000 1.022 50 K CA -0.133 56.097 56.287 -0.094 0.000 1.128 50 K CB -0.113 32.334 32.500 -0.088 0.000 0.853 50 K HN 0.231 nan 8.250 nan 0.000 0.523 51 N N 1.314 119.971 118.700 -0.072 0.000 2.725 51 N HA -0.162 4.579 4.740 0.001 0.000 0.251 51 N C 0.313 175.808 175.510 -0.025 0.000 1.031 51 N CA 0.989 54.036 53.050 -0.005 0.000 0.720 51 N CB -1.450 37.032 38.487 -0.009 0.000 0.930 51 N HN 0.180 nan 8.380 nan 0.000 0.543 52 T N -1.129 113.360 114.554 -0.108 0.000 2.759 52 T HA -0.166 4.185 4.350 0.001 0.000 0.269 52 T C 0.479 174.953 174.700 -0.376 0.000 1.042 52 T CA 1.317 63.231 62.100 -0.310 0.000 1.140 52 T CB -0.106 68.432 68.868 -0.549 0.000 0.864 52 T HN 0.359 nan 8.240 nan 0.000 0.455 53 Y N 1.442 121.843 120.300 0.168 0.000 2.587 53 Y HA 0.486 5.037 4.550 0.001 0.000 0.328 53 Y C 0.404 176.414 175.900 0.183 0.000 0.980 53 Y CA -1.207 57.011 58.100 0.197 0.000 1.272 53 Y CB 0.466 39.104 38.460 0.297 0.000 1.094 53 Y HN -0.119 nan 8.280 nan 0.000 0.503 54 R N 3.223 123.860 120.500 0.230 0.000 2.312 54 R HA 0.531 4.872 4.340 0.001 0.000 0.311 54 R C -0.961 175.445 176.300 0.178 0.000 1.004 54 R CA -0.661 55.545 56.100 0.177 0.000 0.902 54 R CB 0.760 31.122 30.300 0.103 0.000 1.073 54 R HN 0.665 nan 8.270 nan 0.000 0.457 55 L N 4.349 125.681 121.223 0.181 0.000 2.367 55 L HA 0.257 4.598 4.340 0.001 0.000 0.275 55 L C 0.347 177.297 176.870 0.134 0.000 1.129 55 L CA 0.102 55.046 54.840 0.174 0.000 0.839 55 L CB 0.909 43.093 42.059 0.208 0.000 1.133 55 L HN 0.454 nan 8.230 nan 0.000 0.453 56 K N 2.869 123.340 120.400 0.120 0.000 2.118 56 K HA 0.609 4.930 4.320 0.001 0.000 0.267 56 K C -0.883 175.757 176.600 0.066 0.000 0.991 56 K CA -0.656 55.679 56.287 0.080 0.000 0.916 56 K CB 1.387 33.928 32.500 0.069 0.000 1.041 56 K HN 0.227 nan 8.250 nan 0.000 0.455 57 L N 1.203 122.400 121.223 -0.044 0.000 2.211 57 L HA 0.450 4.791 4.340 0.001 0.000 0.259 57 L C -1.160 175.457 176.870 -0.422 0.000 1.031 57 L CA -0.637 54.039 54.840 -0.274 0.000 0.877 57 L CB 0.715 42.735 42.059 -0.064 0.000 1.457 57 L HN 0.522 nan 8.230 nan 0.000 0.466 58 Y N -0.100 119.699 120.300 -0.835 0.000 2.517 58 Y HA 0.389 4.940 4.550 0.001 0.000 0.328 58 Y C -0.769 175.006 175.900 -0.209 0.000 1.130 58 Y CA -0.388 57.440 58.100 -0.454 0.000 1.280 58 Y CB 1.103 39.135 38.460 -0.714 0.000 1.101 58 Y HN 0.438 nan 8.280 nan 0.000 0.610 59 S N 5.594 121.242 115.700 -0.088 0.000 2.411 59 S HA 0.436 4.907 4.470 0.001 0.000 0.304 59 S C -0.446 174.129 174.600 -0.042 0.000 1.098 59 S CA -0.513 57.667 58.200 -0.034 0.000 1.068 59 S CB -0.394 62.786 63.200 -0.034 0.000 1.032 59 S HN 0.546 nan 8.310 nan 0.000 0.511 60 L N 1.731 122.895 121.223 -0.098 0.000 2.331 60 L HA 0.790 5.130 4.340 0.001 0.000 0.268 60 L C -0.177 176.604 176.870 -0.147 0.000 1.015 60 L CA -0.864 53.879 54.840 -0.162 0.000 0.807 60 L CB 0.702 42.370 42.059 -0.651 0.000 1.293 60 L HN 0.307 nan 8.230 nan 0.000 0.451 61 R N 0.508 120.962 120.500 -0.075 0.000 2.473 61 R HA 0.352 4.693 4.340 0.001 0.000 0.303 61 R C -1.768 174.575 176.300 0.072 0.000 1.002 61 R CA -0.295 55.812 56.100 0.013 0.000 0.884 61 R CB 1.083 31.427 30.300 0.074 0.000 1.173 61 R HN 0.666 nan 8.270 nan 0.000 0.464 62 W N 4.472 125.872 121.300 0.166 0.000 2.308 62 W HA 0.117 4.777 4.660 0.001 0.000 0.324 62 W C 1.563 178.172 176.519 0.151 0.000 1.387 62 W CA -0.420 57.038 57.345 0.189 0.000 1.250 62 W CB 0.487 30.046 29.460 0.164 0.000 1.257 62 W HN 0.660 nan 8.180 nan 0.000 0.554 63 I N 0.427 121.240 120.570 0.405 0.000 4.139 63 I HA 0.296 4.467 4.170 0.001 0.000 0.335 63 I C 0.679 176.938 176.117 0.237 0.000 1.327 63 I CA -0.055 61.390 61.300 0.242 0.000 1.112 63 I CB -0.096 37.984 38.000 0.133 0.000 1.058 63 I HN 0.273 nan 8.210 nan 0.000 0.396 64 S N -0.455 115.432 115.700 0.311 0.000 2.815 64 S HA 0.267 4.738 4.470 0.001 0.000 0.296 64 S C -0.208 174.508 174.600 0.194 0.000 1.224 64 S CA -0.167 58.180 58.200 0.244 0.000 0.938 64 S CB 1.352 64.720 63.200 0.280 0.000 1.285 64 S HN 0.066 nan 8.310 nan 0.000 0.549 65 D N -0.802 119.638 120.400 0.066 0.000 2.340 65 D HA 0.228 4.868 4.640 0.001 0.000 0.220 65 D C 0.943 177.068 176.300 -0.293 0.000 1.039 65 D CA 0.715 54.587 54.000 -0.213 0.000 0.866 65 D CB 0.016 40.599 40.800 -0.362 0.000 0.913 65 D HN 0.587 nan 8.370 nan 0.000 0.523 66 H N -1.398 117.847 119.070 0.291 0.000 3.440 66 H HA 0.352 4.909 4.556 0.001 0.000 0.259 66 H C 0.025 175.515 175.328 0.271 0.000 1.120 66 H CA 0.010 56.236 56.048 0.296 0.000 1.191 66 H CB 1.252 31.144 29.762 0.216 0.000 1.537 66 H HN 0.145 nan 8.280 nan 0.000 0.547 67 E N 0.860 121.342 120.200 0.470 0.000 2.416 67 E HA 0.402 4.752 4.350 0.001 0.000 0.273 67 E C -1.470 175.393 176.600 0.438 0.000 0.935 67 E CA -1.071 55.533 56.400 0.340 0.000 0.784 67 E CB 3.301 33.119 29.700 0.197 0.000 1.301 67 E HN 0.111 nan 8.360 nan 0.000 0.454 68 Y N -1.386 118.984 120.300 0.116 0.000 2.597 68 Y HA 0.606 5.157 4.550 0.001 0.000 0.340 68 Y C -1.724 174.193 175.900 0.029 0.000 1.097 68 Y CA -1.304 56.760 58.100 -0.060 0.000 1.037 68 Y CB 0.858 38.947 38.460 -0.619 0.000 1.305 68 Y HN 0.336 nan 8.280 nan 0.000 0.463 69 L N 3.266 124.621 121.223 0.221 0.000 2.309 69 L HA 0.489 4.829 4.340 0.001 0.000 0.282 69 L C -1.355 175.710 176.870 0.325 0.000 1.036 69 L CA -0.926 54.016 54.840 0.170 0.000 0.806 69 L CB 1.466 43.544 42.059 0.031 0.000 1.220 69 L HN 0.785 nan 8.230 nan 0.000 0.429 70 Y N 3.056 123.456 120.300 0.166 0.000 2.396 70 Y HA 0.278 4.829 4.550 0.001 0.000 0.332 70 Y C -0.547 175.388 175.900 0.059 0.000 1.034 70 Y CA -1.176 56.960 58.100 0.060 0.000 1.057 70 Y CB 1.560 40.024 38.460 0.008 0.000 1.220 70 Y HN 0.464 nan 8.280 nan 0.000 0.440 71 K N 5.606 125.715 120.400 -0.485 0.000 2.316 71 K HA 0.313 4.634 4.320 0.001 0.000 0.289 71 K C -1.032 175.239 176.600 -0.548 0.000 1.070 71 K CA -0.221 55.843 56.287 -0.371 0.000 0.928 71 K CB 0.648 33.019 32.500 -0.215 0.000 1.039 71 K HN 0.865 nan 8.250 nan 0.000 0.480 72 Q N 3.320 122.978 119.800 -0.236 0.000 2.347 72 Q HA 0.114 4.454 4.340 0.001 0.000 0.271 72 Q C -1.079 174.886 176.000 -0.057 0.000 1.064 72 Q CA -0.350 55.383 55.803 -0.118 0.000 0.800 72 Q CB 1.480 30.280 28.738 0.103 0.000 1.304 72 Q HN 0.771 nan 8.270 nan 0.000 0.438 73 E N 2.549 122.722 120.200 -0.045 0.000 2.440 73 E HA -0.401 3.950 4.350 0.001 0.000 0.246 73 E C -0.249 176.323 176.600 -0.048 0.000 1.165 73 E CA 0.563 56.944 56.400 -0.032 0.000 0.726 73 E CB -0.890 28.802 29.700 -0.012 0.000 1.271 73 E HN 0.829 nan 8.360 nan 0.000 0.397 74 N N -1.434 117.225 118.700 -0.068 0.000 2.955 74 N HA -0.174 4.567 4.740 0.001 0.000 0.230 74 N C -0.487 174.971 175.510 -0.086 0.000 0.891 74 N CA 1.376 54.384 53.050 -0.069 0.000 1.002 74 N CB -0.806 37.653 38.487 -0.047 0.000 1.063 74 N HN 0.381 nan 8.380 nan 0.000 0.601 75 N N 0.741 119.394 118.700 -0.079 0.000 2.508 75 N HA 0.386 5.126 4.740 0.001 0.000 0.285 75 N C 0.121 175.584 175.510 -0.078 0.000 1.144 75 N CA -0.141 52.864 53.050 -0.075 0.000 0.978 75 N CB 1.158 39.617 38.487 -0.048 0.000 1.180 75 N HN 0.142 nan 8.380 nan 0.000 0.484 76 I N 2.616 123.148 120.570 -0.064 0.000 2.312 76 I HA 0.282 4.453 4.170 0.001 0.000 0.290 76 I C -0.159 176.001 176.117 0.072 0.000 1.008 76 I CA -0.414 60.866 61.300 -0.034 0.000 1.226 76 I CB 0.805 38.744 38.000 -0.102 0.000 1.371 76 I HN 0.180 nan 8.210 nan 0.000 0.468 77 L N 6.731 128.013 121.223 0.099 0.000 2.334 77 L HA 0.634 4.975 4.340 0.001 0.000 0.272 77 L C -0.362 176.555 176.870 0.077 0.000 1.020 77 L CA -1.032 53.847 54.840 0.065 0.000 0.812 77 L CB 2.127 44.188 42.059 0.004 0.000 1.264 77 L HN 0.293 nan 8.230 nan 0.000 0.439 78 V N 1.970 121.860 119.914 -0.040 0.000 2.417 78 V HA 0.523 4.644 4.120 0.001 0.000 0.291 78 V C -0.999 174.943 176.094 -0.254 0.000 1.024 78 V CA -0.208 62.067 62.300 -0.042 0.000 0.861 78 V CB 1.293 33.161 31.823 0.074 0.000 0.985 78 V HN 0.475 nan 8.190 nan 0.000 0.436 79 F N 5.342 125.038 119.950 -0.423 0.000 2.492 79 F HA 0.508 5.036 4.527 0.001 0.000 0.327 79 F C 0.481 176.031 175.800 -0.416 0.000 1.079 79 F CA -0.531 57.146 58.000 -0.539 0.000 0.967 79 F CB 1.714 40.048 39.000 -1.111 0.000 1.169 79 F HN 0.530 nan 8.300 nan 0.000 0.472 80 N N 1.945 120.617 118.700 -0.047 0.000 2.426 80 N HA 0.264 5.005 4.740 0.001 0.000 0.257 80 N C 0.376 175.872 175.510 -0.025 0.000 1.002 80 N CA 0.064 53.119 53.050 0.009 0.000 0.942 80 N CB 1.832 40.362 38.487 0.071 0.000 1.112 80 N HN 0.805 nan 8.380 nan 0.000 0.499 81 A N 3.777 126.539 122.820 -0.096 0.000 1.902 81 A HA -0.186 4.134 4.320 0.001 0.000 0.217 81 A C 1.887 179.239 177.584 -0.386 0.000 1.181 81 A CA 1.691 53.572 52.037 -0.260 0.000 0.623 81 A CB -0.493 18.137 19.000 -0.618 0.000 0.818 81 A HN 0.831 nan 8.150 nan 0.000 0.443 82 E N -0.924 119.021 120.200 -0.424 0.000 2.058 82 E HA -0.196 4.155 4.350 0.001 0.000 0.194 82 E C 1.416 177.760 176.600 -0.427 0.000 0.997 82 E CA 1.945 58.101 56.400 -0.406 0.000 0.801 82 E CB -0.404 28.963 29.700 -0.555 0.000 0.746 82 E HN 0.763 nan 8.360 nan 0.000 0.450 83 Y N -2.136 118.173 120.300 0.015 0.000 2.462 83 Y HA 0.334 4.884 4.550 0.001 0.000 0.253 83 Y C 1.633 177.543 175.900 0.017 0.000 1.095 83 Y CA -0.070 58.039 58.100 0.017 0.000 1.283 83 Y CB 1.238 39.707 38.460 0.015 0.000 1.138 83 Y HN 0.250 nan 8.280 nan 0.000 0.522 84 G N 1.015 109.902 108.800 0.146 0.000 2.199 84 G HA2 -0.324 3.637 3.960 0.001 0.000 0.254 84 G HA3 -0.324 3.637 3.960 0.001 0.000 0.254 84 G C 0.048 175.058 174.900 0.183 0.000 0.982 84 G CA 0.175 45.375 45.100 0.166 0.000 0.632 84 G HN 0.450 nan 8.290 nan 0.000 0.529 85 N N 0.877 119.642 118.700 0.108 0.000 2.453 85 N HA 0.475 5.216 4.740 0.001 0.000 0.253 85 N C 0.200 175.612 175.510 -0.163 0.000 1.252 85 N CA 0.873 53.919 53.050 -0.008 0.000 0.917 85 N CB 1.410 39.895 38.487 -0.002 0.000 1.117 85 N HN 0.960 nan 8.380 nan 0.000 0.442 86 S N 0.039 115.544 115.700 -0.324 0.000 2.740 86 S HA 0.780 5.251 4.470 0.001 0.000 0.300 86 S C -0.790 173.616 174.600 -0.323 0.000 1.147 86 S CA -0.800 57.064 58.200 -0.560 0.000 0.871 86 S CB 1.617 64.034 63.200 -1.304 0.000 1.173 86 S HN 0.652 nan 8.310 nan 0.000 0.510 87 S N -0.348 115.175 115.700 -0.294 0.000 2.570 87 S HA 0.584 5.055 4.470 0.001 0.000 0.270 87 S C -1.107 173.420 174.600 -0.121 0.000 1.149 87 S CA -0.713 57.391 58.200 -0.159 0.000 0.837 87 S CB 1.586 64.729 63.200 -0.096 0.000 1.124 87 S HN 0.758 nan 8.310 nan 0.000 0.465 88 V N 2.624 122.489 119.914 -0.082 0.000 2.614 88 V HA 0.279 4.399 4.120 0.001 0.000 0.291 88 V C 0.273 176.370 176.094 0.004 0.000 1.049 88 V CA 0.220 62.495 62.300 -0.041 0.000 1.038 88 V CB 0.657 32.442 31.823 -0.062 0.000 0.980 88 V HN 0.952 nan 8.190 nan 0.000 0.481 89 F N 4.650 124.548 119.950 -0.086 0.000 2.602 89 F HA 0.524 5.051 4.527 0.001 0.000 0.284 89 F C 0.147 175.905 175.800 -0.071 0.000 1.111 89 F CA 0.214 58.174 58.000 -0.066 0.000 1.405 89 F CB 0.708 39.685 39.000 -0.039 0.000 1.121 89 F HN 0.365 nan 8.300 nan 0.000 0.603 90 L N 1.237 122.520 121.223 0.100 0.000 2.543 90 L HA 0.365 4.706 4.340 0.001 0.000 0.265 90 L C -1.154 175.663 176.870 -0.089 0.000 0.945 90 L CA -0.503 54.327 54.840 -0.017 0.000 0.869 90 L CB 1.292 43.402 42.059 0.085 0.000 1.294 90 L HN -0.194 nan 8.230 nan 0.000 0.405 91 E N 3.344 123.448 120.200 -0.160 0.000 2.384 91 E HA 0.067 4.418 4.350 0.001 0.000 0.266 91 E C 0.540 177.035 176.600 -0.174 0.000 1.012 91 E CA 0.009 56.312 56.400 -0.162 0.000 0.901 91 E CB 0.553 30.140 29.700 -0.188 0.000 0.967 91 E HN 0.628 nan 8.360 nan 0.000 0.435 92 N N 0.681 119.310 118.700 -0.119 0.000 2.575 92 N HA -0.116 4.625 4.740 0.001 0.000 0.192 92 N C 0.654 176.108 175.510 -0.092 0.000 1.200 92 N CA 0.488 53.483 53.050 -0.092 0.000 0.897 92 N CB 0.153 38.600 38.487 -0.066 0.000 0.990 92 N HN 0.256 nan 8.380 nan 0.000 0.449 93 S N -2.140 113.477 115.700 -0.139 0.000 2.604 93 S HA 0.084 4.554 4.470 0.001 0.000 0.235 93 S C 1.364 175.833 174.600 -0.219 0.000 1.043 93 S CA -0.210 57.913 58.200 -0.129 0.000 0.997 93 S CB -0.248 62.891 63.200 -0.102 0.000 0.956 93 S HN 0.083 nan 8.310 nan 0.000 0.535 94 T N 2.091 116.410 114.554 -0.392 0.000 2.721 94 T HA -0.045 4.306 4.350 0.001 0.000 0.268 94 T C 0.245 174.467 174.700 -0.798 0.000 1.038 94 T CA 1.530 63.219 62.100 -0.685 0.000 1.145 94 T CB -0.520 67.679 68.868 -1.115 0.000 0.858 94 T HN 0.551 nan 8.240 nan 0.000 0.459 95 F N 1.020 120.857 119.950 -0.188 0.000 2.837 95 F HA 0.343 4.870 4.527 0.001 0.000 0.298 95 F C 1.203 176.992 175.800 -0.019 0.000 1.161 95 F CA -1.348 56.570 58.000 -0.137 0.000 1.353 95 F CB -0.153 38.689 39.000 -0.265 0.000 0.951 95 F HN -0.035 nan 8.300 nan 0.000 0.508 96 D N 0.750 121.181 120.400 0.051 0.000 2.182 96 D HA -0.157 4.484 4.640 0.001 0.000 0.201 96 D C 1.134 177.477 176.300 0.072 0.000 0.986 96 D CA 1.391 55.421 54.000 0.049 0.000 0.847 96 D CB 0.117 40.915 40.800 -0.003 0.000 0.942 96 D HN 0.370 nan 8.370 nan 0.000 0.467 97 E N -0.861 119.395 120.200 0.093 0.000 2.496 97 E HA 0.082 4.433 4.350 0.001 0.000 0.200 97 E C 0.770 177.440 176.600 0.116 0.000 1.016 97 E CA -0.369 56.073 56.400 0.071 0.000 0.962 97 E CB -0.113 29.613 29.700 0.043 0.000 1.071 97 E HN 0.086 nan 8.360 nan 0.000 0.457 98 F N 0.806 120.765 119.950 0.014 0.000 2.293 98 F HA 0.018 4.546 4.527 0.001 0.000 0.300 98 F C 1.899 177.621 175.800 -0.130 0.000 1.086 98 F CA 1.704 59.695 58.000 -0.016 0.000 1.375 98 F CB -0.082 38.911 39.000 -0.012 0.000 1.045 98 F HN 0.218 nan 8.300 nan 0.000 0.516 99 G N -0.994 107.661 108.800 -0.242 0.000 2.245 99 G HA2 -0.283 3.678 3.960 0.001 0.000 0.264 99 G HA3 -0.283 3.678 3.960 0.001 0.000 0.264 99 G C 0.341 174.840 174.900 -0.669 0.000 0.985 99 G CA 0.549 45.373 45.100 -0.460 0.000 0.625 99 G HN 0.546 nan 8.290 nan 0.000 0.536 100 H N -0.069 118.706 119.070 -0.492 0.000 2.622 100 H HA 0.610 5.167 4.556 0.001 0.000 0.363 100 H C -0.407 174.913 175.328 -0.014 0.000 1.151 100 H CA -0.061 55.770 56.048 -0.363 0.000 1.184 100 H CB 1.769 30.990 29.762 -0.902 0.000 1.643 100 H HN 0.120 nan 8.280 nan 0.000 0.531 101 S N 2.696 118.503 115.700 0.178 0.000 2.455 101 S HA 0.215 4.686 4.470 0.001 0.000 0.278 101 S C 0.367 175.087 174.600 0.200 0.000 1.216 101 S CA -0.706 57.587 58.200 0.156 0.000 1.055 101 S CB -0.723 62.542 63.200 0.109 0.000 0.939 101 S HN 0.342 nan 8.310 nan 0.000 0.494 102 I N 5.541 126.207 120.570 0.160 0.000 2.436 102 I HA 0.117 4.288 4.170 0.001 0.000 0.289 102 I C 1.456 177.617 176.117 0.074 0.000 1.083 102 I CA -0.313 61.056 61.300 0.115 0.000 1.372 102 I CB 0.557 38.550 38.000 -0.013 0.000 1.408 102 I HN 0.653 nan 8.210 nan 0.000 0.516 103 N N 3.732 122.470 118.700 0.064 0.000 2.207 103 N HA -0.079 4.661 4.740 0.001 0.000 0.182 103 N C 0.094 175.586 175.510 -0.030 0.000 1.020 103 N CA 1.241 54.273 53.050 -0.030 0.000 0.858 103 N CB 0.357 38.788 38.487 -0.093 0.000 0.991 103 N HN 0.744 nan 8.380 nan 0.000 0.427 104 D N -3.037 117.380 120.400 0.029 0.000 2.692 104 D HA 0.220 4.861 4.640 0.001 0.000 0.303 104 D C -1.707 174.691 176.300 0.163 0.000 1.278 104 D CA -0.561 53.479 54.000 0.067 0.000 0.852 104 D CB 0.626 41.413 40.800 -0.022 0.000 1.375 104 D HN 0.071 nan 8.370 nan 0.000 0.453 105 Y N -1.412 118.919 120.300 0.052 0.000 2.615 105 Y HA 0.772 5.323 4.550 0.001 0.000 0.341 105 Y C -1.253 174.731 175.900 0.140 0.000 1.089 105 Y CA -1.031 57.120 58.100 0.084 0.000 1.049 105 Y CB 1.714 40.209 38.460 0.059 0.000 1.296 105 Y HN 0.185 nan 8.280 nan 0.000 0.470 106 S N 2.084 117.945 115.700 0.269 0.000 2.653 106 S HA 0.562 5.033 4.470 0.001 0.000 0.268 106 S C -1.522 173.380 174.600 0.503 0.000 1.153 106 S CA -0.525 57.823 58.200 0.247 0.000 1.036 106 S CB 0.094 63.437 63.200 0.238 0.000 1.103 106 S HN 0.711 nan 8.310 nan 0.000 0.466 107 I N 4.405 125.184 120.570 0.349 0.000 2.474 107 I HA 0.268 4.439 4.170 0.001 0.000 0.287 107 I C 1.063 177.080 176.117 -0.167 0.000 1.048 107 I CA -0.304 61.116 61.300 0.200 0.000 1.383 107 I CB 1.590 39.667 38.000 0.129 0.000 1.412 107 I HN 0.769 nan 8.210 nan 0.000 0.531 108 S N 5.669 120.984 115.700 -0.641 0.000 2.573 108 S HA 0.125 4.596 4.470 0.001 0.000 0.277 108 S C -1.829 172.484 174.600 -0.478 0.000 1.346 108 S CA -0.917 56.495 58.200 -1.313 0.000 1.034 108 S CB 0.504 62.856 63.200 -1.415 0.000 0.879 108 S HN 0.430 nan 8.310 nan 0.000 0.528 109 P HA -0.129 nan 4.420 nan 0.000 0.217 109 P C 0.700 177.952 177.300 -0.079 0.000 1.148 109 P CA 1.554 64.580 63.100 -0.124 0.000 0.828 109 P CB -0.185 31.464 31.700 -0.085 0.000 0.783 110 D N -2.052 118.289 120.400 -0.099 0.000 2.336 110 D HA 0.090 4.731 4.640 0.001 0.000 0.229 110 D C 1.418 177.709 176.300 -0.014 0.000 1.061 110 D CA 0.515 54.494 54.000 -0.034 0.000 0.875 110 D CB -1.177 39.617 40.800 -0.009 0.000 0.904 110 D HN 0.191 nan 8.370 nan 0.000 0.525 111 G N 0.268 109.059 108.800 -0.015 0.000 2.196 111 G HA2 -0.437 3.524 3.960 0.001 0.000 0.268 111 G HA3 -0.437 3.524 3.960 0.001 0.000 0.268 111 G C 1.017 175.935 174.900 0.031 0.000 0.975 111 G CA 0.691 45.863 45.100 0.120 0.000 0.648 111 G HN 0.475 nan 8.290 nan 0.000 0.538 112 Q N -1.563 118.136 119.800 -0.168 0.000 2.245 112 Q HA 0.312 4.653 4.340 0.001 0.000 0.201 112 Q C 0.384 175.919 176.000 -0.775 0.000 0.955 112 Q CA 0.742 56.246 55.803 -0.500 0.000 0.870 112 Q CB 0.254 28.597 28.738 -0.658 0.000 0.945 112 Q HN 0.580 nan 8.270 nan 0.000 0.461 113 F N -0.779 119.130 119.950 -0.068 0.000 2.620 113 F HA 0.539 5.067 4.527 0.001 0.000 0.320 113 F C -0.560 175.348 175.800 0.179 0.000 1.069 113 F CA -1.285 56.745 58.000 0.050 0.000 0.953 113 F CB 1.621 40.666 39.000 0.076 0.000 1.322 113 F HN -0.218 nan 8.300 nan 0.000 0.479 114 I N 2.367 123.292 120.570 0.591 0.000 2.569 114 I HA 0.489 4.660 4.170 0.001 0.000 0.290 114 I C -1.930 174.513 176.117 0.543 0.000 1.088 114 I CA -1.012 60.619 61.300 0.552 0.000 1.047 114 I CB 1.612 39.899 38.000 0.479 0.000 1.237 114 I HN 0.524 nan 8.210 nan 0.000 0.421 115 L N 8.263 129.814 121.223 0.548 0.000 2.265 115 L HA 0.499 4.840 4.340 0.001 0.000 0.288 115 L C -1.250 175.771 176.870 0.251 0.000 1.058 115 L CA -0.050 54.992 54.840 0.337 0.000 0.809 115 L CB 1.005 43.180 42.059 0.194 0.000 1.179 115 L HN 0.489 nan 8.230 nan 0.000 0.429 116 L N 5.213 126.523 121.223 0.145 0.000 2.265 116 L HA 0.471 4.812 4.340 0.001 0.000 0.289 116 L C -0.009 176.955 176.870 0.157 0.000 1.033 116 L CA -0.396 54.450 54.840 0.010 0.000 0.814 116 L CB 1.381 43.195 42.059 -0.407 0.000 1.203 116 L HN 0.631 nan 8.230 nan 0.000 0.423 117 E N 4.031 124.299 120.200 0.113 0.000 2.197 117 E HA 0.463 4.814 4.350 0.001 0.000 0.281 117 E C -1.557 175.075 176.600 0.053 0.000 0.995 117 E CA -0.471 55.875 56.400 -0.090 0.000 0.808 117 E CB 1.091 30.786 29.700 -0.009 0.000 1.093 117 E HN 0.433 nan 8.360 nan 0.000 0.394 118 Y N 1.456 121.609 120.300 -0.245 0.000 2.705 118 Y HA 0.419 4.970 4.550 0.001 0.000 0.332 118 Y C -0.277 175.540 175.900 -0.137 0.000 1.221 118 Y CA -1.630 56.404 58.100 -0.109 0.000 1.059 118 Y CB 0.420 38.874 38.460 -0.009 0.000 1.298 118 Y HN 0.525 nan 8.280 nan 0.000 0.459 119 N N -0.515 118.191 118.700 0.010 0.000 2.725 119 N HA -0.294 4.447 4.740 0.001 0.000 0.249 119 N C -0.956 174.515 175.510 -0.064 0.000 1.103 119 N CA 0.981 53.992 53.050 -0.066 0.000 0.707 119 N CB -1.661 36.682 38.487 -0.241 0.000 1.043 119 N HN 0.872 nan 8.380 nan 0.000 0.553 120 Y N 0.217 120.438 120.300 -0.131 0.000 2.721 120 Y HA 0.250 4.801 4.550 0.001 0.000 0.329 120 Y C 0.047 175.900 175.900 -0.078 0.000 1.211 120 Y CA 0.097 58.115 58.100 -0.137 0.000 1.512 120 Y CB 0.643 38.981 38.460 -0.203 0.000 1.249 120 Y HN -0.014 nan 8.280 nan 0.000 0.549 121 V N 8.107 127.660 119.914 -0.602 0.000 2.419 121 V HA 0.188 4.309 4.120 0.001 0.000 0.287 121 V C -0.282 175.415 176.094 -0.661 0.000 1.017 121 V CA -1.410 60.609 62.300 -0.469 0.000 0.844 121 V CB 1.248 32.934 31.823 -0.229 0.000 1.011 121 V HN 0.752 nan 8.190 nan 0.000 0.429 122 K N 3.640 123.640 120.400 -0.667 0.000 2.436 122 K HA 0.198 4.518 4.320 0.001 0.000 0.275 122 K C 0.425 176.856 176.600 -0.282 0.000 0.999 122 K CA 0.259 56.315 56.287 -0.385 0.000 0.980 122 K CB 1.161 33.644 32.500 -0.029 0.000 0.919 122 K HN 0.817 nan 8.250 nan 0.000 0.484 123 Q N 2.942 122.556 119.800 -0.309 0.000 2.471 123 Q HA 0.160 4.501 4.340 0.001 0.000 0.207 123 Q C 0.023 175.743 176.000 -0.467 0.000 0.889 123 Q CA -0.325 55.096 55.803 -0.637 0.000 0.726 123 Q CB 0.096 28.287 28.738 -0.912 0.000 2.132 123 Q HN 0.728 nan 8.270 nan 0.000 0.531 124 W N 0.108 121.398 121.300 -0.017 0.000 1.836 124 W HA 0.315 4.975 4.660 0.001 0.000 0.628 124 W C 1.843 178.339 176.519 -0.038 0.000 1.626 124 W CA -0.563 56.796 57.345 0.023 0.000 1.714 124 W CB -0.196 29.236 29.460 -0.046 0.000 3.166 124 W HN 0.307 nan 8.180 nan 0.000 0.772 125 R N -0.582 120.002 120.500 0.140 0.000 2.081 125 R HA -0.149 4.191 4.340 0.001 0.000 0.235 125 R C 1.717 177.845 176.300 -0.287 0.000 1.131 125 R CA 2.037 58.037 56.100 -0.167 0.000 0.960 125 R CB -0.480 29.563 30.300 -0.428 0.000 0.856 125 R HN 0.468 nan 8.270 nan 0.000 0.436 126 H N -1.068 118.072 119.070 0.116 0.000 2.927 126 H HA 0.212 4.769 4.556 0.001 0.000 0.255 126 H C 0.475 175.875 175.328 0.119 0.000 0.974 126 H CA 0.510 56.644 56.048 0.142 0.000 1.199 126 H CB 0.164 29.984 29.762 0.096 0.000 1.447 126 H HN 0.223 nan 8.280 nan 0.000 0.467 127 S N 1.305 116.978 115.700 -0.045 0.000 2.585 127 S HA 0.373 4.844 4.470 0.001 0.000 0.273 127 S C -0.291 174.157 174.600 -0.253 0.000 1.339 127 S CA -0.429 57.444 58.200 -0.545 0.000 1.028 127 S CB 0.725 63.082 63.200 -1.405 0.000 0.906 127 S HN 0.449 nan 8.310 nan 0.000 0.528 128 Y N -2.345 117.789 120.300 -0.276 0.000 2.732 128 Y HA 0.627 5.177 4.550 0.001 0.000 0.342 128 Y C -0.822 175.047 175.900 -0.051 0.000 1.203 128 Y CA -0.829 57.119 58.100 -0.253 0.000 1.092 128 Y CB 0.417 38.682 38.460 -0.326 0.000 1.345 128 Y HN 0.920 nan 8.280 nan 0.000 0.458 129 T N -0.047 114.571 114.554 0.105 0.000 2.942 129 T HA 1.031 5.382 4.350 0.001 0.000 0.289 129 T C -0.480 174.307 174.700 0.146 0.000 1.044 129 T CA -0.152 62.029 62.100 0.134 0.000 1.023 129 T CB 1.807 70.697 68.868 0.038 0.000 1.123 129 T HN 1.966 nan 8.240 nan 0.000 0.512 130 A N 0.788 123.663 122.820 0.092 0.000 2.564 130 A HA 0.765 5.085 4.320 0.001 0.000 0.291 130 A C -0.670 176.679 177.584 -0.392 0.000 1.102 130 A CA -0.982 50.950 52.037 -0.174 0.000 0.660 130 A CB 0.995 19.866 19.000 -0.214 0.000 1.283 130 A HN 0.877 nan 8.150 nan 0.000 0.430 131 S N -0.656 114.575 115.700 -0.782 0.000 2.593 131 S HA 0.818 5.289 4.470 0.001 0.000 0.297 131 S C -1.444 172.455 174.600 -1.168 0.000 1.112 131 S CA -0.091 57.576 58.200 -0.889 0.000 1.043 131 S CB 0.707 63.175 63.200 -1.220 0.000 1.054 131 S HN 0.456 nan 8.310 nan 0.000 0.516 132 Y N 0.096 120.171 120.300 -0.375 0.000 2.553 132 Y HA 0.572 5.122 4.550 0.001 0.000 0.347 132 Y C -0.395 175.540 175.900 0.059 0.000 1.019 132 Y CA -0.958 57.069 58.100 -0.122 0.000 1.032 132 Y CB 1.789 40.128 38.460 -0.201 0.000 1.284 132 Y HN 0.476 nan 8.280 nan 0.000 0.466 133 D N 1.395 121.980 120.400 0.308 0.000 2.756 133 D HA 0.535 5.176 4.640 0.001 0.000 0.226 133 D C -1.173 175.221 176.300 0.157 0.000 1.186 133 D CA -0.348 53.793 54.000 0.234 0.000 0.845 133 D CB 2.580 43.583 40.800 0.340 0.000 1.610 133 D HN 0.386 nan 8.370 nan 0.000 0.465 134 I N 1.952 122.604 120.570 0.138 0.000 2.406 134 I HA 0.261 4.432 4.170 0.001 0.000 0.290 134 I C -0.989 175.296 176.117 0.280 0.000 0.999 134 I CA -0.987 60.427 61.300 0.189 0.000 1.124 134 I CB 1.452 39.501 38.000 0.083 0.000 1.289 134 I HN 0.231 nan 8.210 nan 0.000 0.441 135 Y N 5.889 126.326 120.300 0.230 0.000 2.331 135 Y HA 0.280 4.831 4.550 0.001 0.000 0.338 135 Y C -0.037 176.074 175.900 0.351 0.000 0.992 135 Y CA -0.581 57.679 58.100 0.267 0.000 1.121 135 Y CB 1.034 39.681 38.460 0.311 0.000 1.184 135 Y HN 0.487 nan 8.280 nan 0.000 0.469 136 D N 6.260 126.559 120.400 -0.168 0.000 2.325 136 D HA 0.079 4.720 4.640 0.001 0.000 0.251 136 D C 0.631 176.686 176.300 -0.408 0.000 1.196 136 D CA 0.306 54.248 54.000 -0.097 0.000 0.866 136 D CB 1.061 41.835 40.800 -0.044 0.000 1.101 136 D HN 0.874 nan 8.370 nan 0.000 0.476 137 L N 3.724 124.808 121.223 -0.231 0.000 2.179 137 L HA -0.090 4.251 4.340 0.001 0.000 0.208 137 L C 2.121 178.860 176.870 -0.218 0.000 1.096 137 L CA 0.305 55.056 54.840 -0.148 0.000 0.779 137 L CB -0.254 41.744 42.059 -0.101 0.000 0.922 137 L HN 0.369 nan 8.230 nan 0.000 0.443 138 N N 1.508 120.043 118.700 -0.275 0.000 2.062 138 N HA -0.183 4.557 4.740 0.001 0.000 0.191 138 N C 1.524 176.931 175.510 -0.172 0.000 1.042 138 N CA 1.501 54.421 53.050 -0.218 0.000 0.845 138 N CB -0.247 38.102 38.487 -0.229 0.000 1.024 138 N HN 0.458 nan 8.380 nan 0.000 0.424 139 K N 1.049 121.341 120.400 -0.179 0.000 2.504 139 K HA 0.186 4.507 4.320 0.001 0.000 0.199 139 K C -0.286 176.209 176.600 -0.174 0.000 1.028 139 K CA -0.269 55.933 56.287 -0.141 0.000 1.164 139 K CB 0.367 32.804 32.500 -0.105 0.000 0.877 139 K HN -0.198 nan 8.250 nan 0.000 0.508 140 R N 1.344 121.706 120.500 -0.230 0.000 3.184 140 R HA -0.225 4.116 4.340 0.001 0.000 0.242 140 R C -0.758 175.357 176.300 -0.308 0.000 0.907 140 R CA 1.084 57.053 56.100 -0.219 0.000 0.618 140 R CB -2.217 28.066 30.300 -0.028 0.000 1.016 140 R HN 0.829 nan 8.270 nan 0.000 0.469 141 Q N -0.030 119.404 119.800 -0.610 0.000 2.379 141 Q HA 0.501 4.842 4.340 0.001 0.000 0.278 141 Q C -1.290 174.499 176.000 -0.351 0.000 1.068 141 Q CA -1.018 54.596 55.803 -0.315 0.000 0.816 141 Q CB 1.756 30.422 28.738 -0.119 0.000 1.387 141 Q HN 0.171 nan 8.270 nan 0.000 0.413 142 L N 3.756 125.025 121.223 0.077 0.000 2.305 142 L HA 0.447 4.788 4.340 0.001 0.000 0.281 142 L C -0.840 176.106 176.870 0.126 0.000 1.085 142 L CA 0.001 54.990 54.840 0.249 0.000 0.813 142 L CB 0.817 43.110 42.059 0.390 0.000 1.157 142 L HN 0.647 nan 8.230 nan 0.000 0.436 143 I N 4.501 125.141 120.570 0.116 0.000 2.416 143 I HA 0.144 4.315 4.170 0.001 0.000 0.288 143 I C 0.931 177.085 176.117 0.060 0.000 1.051 143 I CA 0.152 61.489 61.300 0.062 0.000 1.375 143 I CB 1.120 39.136 38.000 0.027 0.000 1.407 143 I HN 0.834 nan 8.210 nan 0.000 0.516 144 T N 0.526 115.102 114.554 0.037 0.000 3.010 144 T HA 0.248 4.598 4.350 0.001 0.000 0.257 144 T C 0.438 175.136 174.700 -0.004 0.000 1.020 144 T CA -0.339 61.777 62.100 0.028 0.000 0.938 144 T CB 0.019 68.907 68.868 0.035 0.000 1.049 144 T HN 0.516 nan 8.240 nan 0.000 0.522 145 E N 2.176 122.366 120.200 -0.016 0.000 2.231 145 E HA 0.356 4.707 4.350 0.001 0.000 0.277 145 E C -0.466 176.097 176.600 -0.062 0.000 0.999 145 E CA -0.864 55.515 56.400 -0.035 0.000 0.827 145 E CB 0.583 30.266 29.700 -0.028 0.000 1.101 145 E HN 0.117 nan 8.360 nan 0.000 0.393 146 E N 1.450 121.603 120.200 -0.079 0.000 2.183 146 E HA -0.250 4.101 4.350 0.001 0.000 0.196 146 E C -0.724 175.789 176.600 -0.145 0.000 1.364 146 E CA 0.763 57.096 56.400 -0.112 0.000 0.700 146 E CB -1.617 28.023 29.700 -0.099 0.000 1.106 146 E HN 0.520 nan 8.360 nan 0.000 0.347 147 R N -0.191 120.217 120.500 -0.153 0.000 2.500 147 R HA 0.572 4.912 4.340 0.001 0.000 0.275 147 R C 0.978 177.090 176.300 -0.313 0.000 1.051 147 R CA -0.858 55.132 56.100 -0.183 0.000 1.088 147 R CB 0.831 31.067 30.300 -0.106 0.000 1.063 147 R HN 0.030 nan 8.270 nan 0.000 0.511 148 I N 2.751 123.079 120.570 -0.403 0.000 2.845 148 I HA -0.036 4.135 4.170 0.001 0.000 0.296 148 I C -1.691 174.100 176.117 -0.543 0.000 1.216 148 I CA -1.293 59.595 61.300 -0.686 0.000 1.438 148 I CB 0.091 37.676 38.000 -0.691 0.000 1.342 148 I HN 0.388 nan 8.210 nan 0.000 0.577 149 P HA 0.064 nan 4.420 nan 0.000 0.270 149 P C -0.656 176.448 177.300 -0.327 0.000 1.223 149 P CA -0.302 62.396 63.100 -0.669 0.000 0.785 149 P CB 0.411 31.224 31.700 -1.477 0.000 0.923 150 N N 2.123 120.731 118.700 -0.152 0.000 2.467 150 N HA 0.055 4.796 4.740 0.001 0.000 0.262 150 N C 0.287 175.900 175.510 0.171 0.000 1.234 150 N CA 0.082 53.107 53.050 -0.042 0.000 0.952 150 N CB 0.000 38.461 38.487 -0.045 0.000 1.158 150 N HN 0.424 nan 8.380 nan 0.000 0.463 151 N N -0.595 118.163 118.700 0.096 0.000 2.776 151 N HA -0.146 4.595 4.740 0.001 0.000 0.250 151 N C -0.781 174.894 175.510 0.275 0.000 1.112 151 N CA 0.710 53.848 53.050 0.146 0.000 0.733 151 N CB -1.706 36.865 38.487 0.139 0.000 1.097 151 N HN 0.479 nan 8.380 nan 0.000 0.558 152 T N 0.873 115.607 114.554 0.301 0.000 2.901 152 T HA 0.101 4.452 4.350 0.001 0.000 0.301 152 T C 1.719 176.588 174.700 0.282 0.000 1.012 152 T CA 0.138 62.453 62.100 0.357 0.000 1.135 152 T CB 1.163 70.167 68.868 0.227 0.000 0.936 152 T HN 0.167 nan 8.240 nan 0.000 0.539 153 Q N 1.694 121.640 119.800 0.245 0.000 2.302 153 Q HA 0.153 4.494 4.340 0.001 0.000 0.202 153 Q C 0.135 176.285 176.000 0.249 0.000 0.936 153 Q CA 0.434 56.379 55.803 0.236 0.000 0.886 153 Q CB 0.726 29.539 28.738 0.125 0.000 0.986 153 Q HN 0.705 nan 8.270 nan 0.000 0.487 154 W N -0.453 120.809 121.300 -0.064 0.000 3.645 154 W HA 0.484 5.144 4.660 0.001 0.000 0.285 154 W C -2.374 174.062 176.519 -0.138 0.000 1.266 154 W CA -0.699 56.562 57.345 -0.140 0.000 1.212 154 W CB 1.130 30.440 29.460 -0.250 0.000 1.306 154 W HN -0.289 nan 8.180 nan 0.000 0.552 155 V N 4.364 123.537 119.914 -1.236 0.000 2.932 155 V HA 0.808 4.929 4.120 0.001 0.000 0.307 155 V C -1.515 173.913 176.094 -1.111 0.000 1.147 155 V CA -0.096 61.633 62.300 -0.951 0.000 0.951 155 V CB 2.336 33.550 31.823 -1.014 0.000 1.031 155 V HN 0.616 nan 8.190 nan 0.000 0.426 156 T N 5.322 119.563 114.554 -0.521 0.000 3.105 156 T HA 0.480 4.831 4.350 0.001 0.000 0.321 156 T C -1.223 173.520 174.700 0.070 0.000 1.135 156 T CA -0.299 61.692 62.100 -0.181 0.000 1.053 156 T CB 0.761 69.763 68.868 0.223 0.000 1.133 156 T HN 0.704 nan 8.240 nan 0.000 0.463 157 W N 3.139 124.492 121.300 0.089 0.000 2.093 157 W HA 0.436 5.097 4.660 0.001 0.000 0.352 157 W C 1.296 177.747 176.519 -0.115 0.000 1.294 157 W CA -0.529 56.840 57.345 0.039 0.000 1.290 157 W CB 0.607 30.075 29.460 0.014 0.000 1.149 157 W HN 0.804 nan 8.180 nan 0.000 0.606 158 S N 1.679 117.240 115.700 -0.231 0.000 2.600 158 S HA 0.148 4.619 4.470 0.001 0.000 0.265 158 S C -1.480 172.811 174.600 -0.515 0.000 1.325 158 S CA -1.020 56.389 58.200 -1.318 0.000 1.002 158 S CB 0.864 63.200 63.200 -1.440 0.000 0.921 158 S HN 0.396 nan 8.310 nan 0.000 0.554 159 P HA 0.060 nan 4.420 nan 0.000 0.221 159 P C 0.014 177.245 177.300 -0.114 0.000 1.150 159 P CA 0.688 63.713 63.100 -0.125 0.000 0.800 159 P CB 0.043 31.720 31.700 -0.038 0.000 0.787 160 V N -1.329 118.468 119.914 -0.195 0.000 2.914 160 V HA 0.629 4.750 4.120 0.001 0.000 0.314 160 V C 0.850 176.827 176.094 -0.195 0.000 1.084 160 V CA 0.162 62.374 62.300 -0.147 0.000 0.963 160 V CB 1.036 32.788 31.823 -0.119 0.000 1.025 160 V HN 0.465 nan 8.190 nan 0.000 0.432 161 G N 2.709 111.411 108.800 -0.163 0.000 2.514 161 G HA2 -0.221 3.740 3.960 0.001 0.000 0.265 161 G HA3 -0.221 3.740 3.960 0.001 0.000 0.265 161 G C 0.179 174.979 174.900 -0.166 0.000 1.150 161 G CA 0.635 45.599 45.100 -0.227 0.000 0.959 161 G HN 1.819 nan 8.290 nan 0.000 0.556 162 H N -0.559 118.514 119.070 0.004 0.000 3.038 162 H HA 0.421 4.977 4.556 0.001 0.000 0.238 162 H C 0.375 175.918 175.328 0.358 0.000 1.246 162 H CA -0.136 55.979 56.048 0.112 0.000 0.966 162 H CB -0.113 29.766 29.762 0.195 0.000 2.394 162 H HN 0.507 nan 8.280 nan 0.000 0.633 163 K N 1.530 122.071 120.400 0.236 0.000 2.180 163 K HA 0.479 4.800 4.320 0.001 0.000 0.251 163 K C -0.380 176.437 176.600 0.362 0.000 1.014 163 K CA -0.323 56.113 56.287 0.247 0.000 0.913 163 K CB 1.477 33.997 32.500 0.032 0.000 1.008 163 K HN 0.115 nan 8.250 nan 0.000 0.490 164 L N 0.437 121.852 121.223 0.321 0.000 2.388 164 L HA 0.617 4.957 4.340 0.001 0.000 0.264 164 L C -1.133 175.939 176.870 0.337 0.000 0.998 164 L CA -0.879 54.076 54.840 0.191 0.000 0.817 164 L CB 2.220 44.218 42.059 -0.102 0.000 1.338 164 L HN 0.710 nan 8.230 nan 0.000 0.414 165 A N 2.129 125.100 122.820 0.252 0.000 2.381 165 A HA 0.781 5.102 4.320 0.001 0.000 0.299 165 A C -1.680 175.903 177.584 -0.002 0.000 1.049 165 A CA -0.378 51.690 52.037 0.052 0.000 0.715 165 A CB 1.107 20.038 19.000 -0.115 0.000 1.222 165 A HN 0.625 nan 8.150 nan 0.000 0.428 166 Y N -0.373 119.867 120.300 -0.101 0.000 2.581 166 Y HA 0.813 5.364 4.550 0.001 0.000 0.345 166 Y C -1.088 174.818 175.900 0.010 0.000 1.036 166 Y CA -1.669 56.352 58.100 -0.132 0.000 1.042 166 Y CB 1.207 39.521 38.460 -0.243 0.000 1.289 166 Y HN 0.383 nan 8.280 nan 0.000 0.471 167 V N 1.971 121.989 119.914 0.173 0.000 2.495 167 V HA 0.387 4.508 4.120 0.001 0.000 0.298 167 V C -1.476 174.822 176.094 0.339 0.000 1.031 167 V CA -0.641 61.744 62.300 0.141 0.000 0.871 167 V CB 1.477 33.304 31.823 0.007 0.000 0.988 167 V HN 0.879 nan 8.190 nan 0.000 0.432 168 W N 4.627 126.014 121.300 0.145 0.000 3.097 168 W HA 0.459 5.120 4.660 0.001 0.000 0.335 168 W C 0.305 176.872 176.519 0.081 0.000 1.114 168 W CA -0.763 56.649 57.345 0.111 0.000 1.231 168 W CB 1.281 30.787 29.460 0.075 0.000 1.388 168 W HN 0.787 nan 8.180 nan 0.000 0.485 169 N N 5.012 123.400 118.700 -0.521 0.000 2.727 169 N HA -0.335 4.405 4.740 0.001 0.000 0.249 169 N C -0.035 175.328 175.510 -0.244 0.000 1.048 169 N CA 0.964 53.701 53.050 -0.522 0.000 0.714 169 N CB -0.898 37.098 38.487 -0.818 0.000 0.959 169 N HN 0.704 nan 8.380 nan 0.000 0.544 170 N N -1.565 117.039 118.700 -0.160 0.000 2.828 170 N HA -0.160 4.581 4.740 0.001 0.000 0.248 170 N C -1.397 174.034 175.510 -0.130 0.000 1.044 170 N CA 1.666 54.634 53.050 -0.137 0.000 0.851 170 N CB -0.492 37.873 38.487 -0.203 0.000 1.136 170 N HN 0.540 nan 8.380 nan 0.000 0.572 171 D N -0.197 120.136 120.400 -0.112 0.000 2.340 171 D HA 0.487 5.128 4.640 0.001 0.000 0.240 171 D C 0.450 176.564 176.300 -0.310 0.000 1.001 171 D CA -0.443 53.408 54.000 -0.248 0.000 0.888 171 D CB 1.338 41.944 40.800 -0.324 0.000 1.310 171 D HN -0.006 nan 8.370 nan 0.000 0.474 172 I N 1.706 121.941 120.570 -0.557 0.000 2.396 172 I HA 0.251 4.422 4.170 0.001 0.000 0.292 172 I C -0.668 174.951 176.117 -0.830 0.000 0.999 172 I CA -0.448 60.498 61.300 -0.590 0.000 1.310 172 I CB 0.595 38.172 38.000 -0.705 0.000 1.404 172 I HN 0.173 nan 8.210 nan 0.000 0.496 173 Y N 3.959 123.875 120.300 -0.639 0.000 2.545 173 Y HA 0.645 5.196 4.550 0.001 0.000 0.348 173 Y C -0.358 175.192 175.900 -0.583 0.000 1.002 173 Y CA -0.893 56.790 58.100 -0.696 0.000 1.039 173 Y CB 2.134 39.896 38.460 -1.164 0.000 1.271 173 Y HN 0.111 nan 8.280 nan 0.000 0.467 174 V N 2.413 122.264 119.914 -0.105 0.000 2.709 174 V HA 0.463 4.584 4.120 0.001 0.000 0.308 174 V C -0.975 175.260 176.094 0.235 0.000 1.062 174 V CA -1.396 60.939 62.300 0.059 0.000 0.901 174 V CB 2.159 34.032 31.823 0.084 0.000 1.003 174 V HN 0.615 nan 8.190 nan 0.000 0.425 175 K N 4.155 124.705 120.400 0.249 0.000 2.483 175 K HA 0.485 4.806 4.320 0.001 0.000 0.256 175 K C 0.388 177.145 176.600 0.260 0.000 0.961 175 K CA -0.710 55.717 56.287 0.233 0.000 0.873 175 K CB 1.633 34.224 32.500 0.150 0.000 1.107 175 K HN 0.439 nan 8.250 nan 0.000 0.432 176 I N 1.283 122.035 120.570 0.303 0.000 2.394 176 I HA -0.094 4.077 4.170 0.001 0.000 0.251 176 I C 0.426 176.696 176.117 0.256 0.000 1.136 176 I CA 1.507 62.967 61.300 0.267 0.000 1.425 176 I CB -0.367 37.795 38.000 0.270 0.000 1.079 176 I HN 0.564 nan 8.210 nan 0.000 0.425 177 E N -0.585 119.729 120.200 0.189 0.000 2.314 177 E HA 0.284 4.635 4.350 0.001 0.000 0.272 177 E C -1.928 174.649 176.600 -0.038 0.000 0.884 177 E CA -1.892 54.575 56.400 0.112 0.000 0.753 177 E CB 1.944 31.702 29.700 0.097 0.000 1.213 177 E HN -0.182 nan 8.360 nan 0.000 0.432 178 P HA -0.157 nan 4.420 nan 0.000 0.218 178 P C 0.708 177.892 177.300 -0.193 0.000 1.148 178 P CA 1.528 64.435 63.100 -0.323 0.000 0.822 178 P CB 0.206 31.435 31.700 -0.786 0.000 0.784 179 N N -2.200 116.415 118.700 -0.141 0.000 2.280 179 N HA 0.067 4.807 4.740 0.001 0.000 0.192 179 N C 0.282 175.760 175.510 -0.053 0.000 1.109 179 N CA -0.074 52.930 53.050 -0.077 0.000 0.855 179 N CB -0.240 38.222 38.487 -0.041 0.000 0.974 179 N HN 0.043 nan 8.380 nan 0.000 0.482 180 L N 1.020 122.218 121.223 -0.043 0.000 2.375 180 L HA 0.507 4.848 4.340 0.001 0.000 0.268 180 L C -2.010 174.816 176.870 -0.075 0.000 1.058 180 L CA -2.544 52.273 54.840 -0.039 0.000 0.803 180 L CB 0.897 42.956 42.059 0.000 0.000 1.212 180 L HN -0.011 nan 8.230 nan 0.000 0.451 181 P HA 0.024 nan 4.420 nan 0.000 0.268 181 P C -0.733 176.420 177.300 -0.246 0.000 1.205 181 P CA -0.266 62.737 63.100 -0.161 0.000 0.771 181 P CB 0.913 32.513 31.700 -0.167 0.000 0.858 182 S N 2.514 118.120 115.700 -0.156 0.000 2.632 182 S HA 0.383 4.854 4.470 0.001 0.000 0.271 182 S C -0.562 173.931 174.600 -0.179 0.000 1.260 182 S CA -0.452 57.694 58.200 -0.090 0.000 1.010 182 S CB 0.114 63.380 63.200 0.110 0.000 0.965 182 S HN 0.317 nan 8.310 nan 0.000 0.534 183 Y N 0.285 120.618 120.300 0.055 0.000 2.323 183 Y HA 0.450 5.001 4.550 0.001 0.000 0.331 183 Y C 1.099 176.947 175.900 -0.087 0.000 1.092 183 Y CA -0.908 57.206 58.100 0.022 0.000 1.150 183 Y CB 0.902 39.372 38.460 0.017 0.000 1.200 183 Y HN 0.490 nan 8.280 nan 0.000 0.472 184 R N 3.701 124.181 120.500 -0.033 0.000 2.267 184 R HA 0.191 4.532 4.340 0.001 0.000 0.319 184 R C 0.264 176.336 176.300 -0.380 0.000 1.067 184 R CA 0.068 55.846 56.100 -0.536 0.000 0.936 184 R CB 0.575 30.362 30.300 -0.856 0.000 1.006 184 R HN 0.788 nan 8.270 nan 0.000 0.452 185 I N 1.423 121.669 120.570 -0.539 0.000 2.731 185 I HA -0.049 4.122 4.170 0.001 0.000 0.260 185 I C 1.279 177.208 176.117 -0.313 0.000 1.138 185 I CA 1.076 62.176 61.300 -0.334 0.000 1.461 185 I CB -0.492 37.262 38.000 -0.410 0.000 1.128 185 I HN 0.492 nan 8.210 nan 0.000 0.438 186 T N -3.920 110.306 114.554 -0.547 0.000 2.916 186 T HA 0.425 4.776 4.350 0.001 0.000 0.292 186 T C -0.653 173.756 174.700 -0.485 0.000 1.055 186 T CA -0.504 61.384 62.100 -0.353 0.000 1.009 186 T CB 2.070 70.699 68.868 -0.398 0.000 1.118 186 T HN 0.166 nan 8.240 nan 0.000 0.497 187 W N -0.014 121.175 121.300 -0.185 0.000 2.304 187 W HA 0.238 4.898 4.660 0.001 0.000 0.326 187 W C 1.805 178.271 176.519 -0.089 0.000 0.920 187 W CA -0.115 57.157 57.345 -0.122 0.000 1.518 187 W CB 0.168 29.577 29.460 -0.084 0.000 1.112 187 W HN 0.915 nan 8.180 nan 0.000 0.528 188 T N -2.615 111.981 114.554 0.070 0.000 3.107 188 T HA 0.269 4.620 4.350 0.001 0.000 0.249 188 T C 1.264 175.959 174.700 -0.008 0.000 1.096 188 T CA 0.221 62.345 62.100 0.040 0.000 1.012 188 T CB -0.146 68.742 68.868 0.033 0.000 0.977 188 T HN 0.023 nan 8.240 nan 0.000 0.527 189 G N 1.472 110.238 108.800 -0.058 0.000 2.225 189 G HA2 0.300 4.261 3.960 0.001 0.000 0.245 189 G HA3 0.300 4.261 3.960 0.001 0.000 0.245 189 G C -0.542 174.299 174.900 -0.099 0.000 1.249 189 G CA -0.332 44.711 45.100 -0.095 0.000 0.919 189 G HN 0.557 nan 8.290 nan 0.000 0.486 190 K N 2.373 122.694 120.400 -0.131 0.000 2.615 190 K HA 0.171 4.492 4.320 0.001 0.000 0.249 190 K C 0.027 176.508 176.600 -0.199 0.000 0.977 190 K CA -0.653 55.557 56.287 -0.128 0.000 0.833 190 K CB 1.331 33.793 32.500 -0.064 0.000 1.208 190 K HN 0.618 nan 8.250 nan 0.000 0.443 191 E N 3.127 123.214 120.200 -0.188 0.000 2.829 191 E HA -0.187 4.163 4.350 0.001 0.000 0.264 191 E C -0.523 175.982 176.600 -0.158 0.000 0.922 191 E CA 1.161 57.446 56.400 -0.192 0.000 0.960 191 E CB 0.248 29.873 29.700 -0.125 0.000 0.918 191 E HN 0.672 nan 8.360 nan 0.000 0.497 192 D N 2.454 122.742 120.400 -0.187 0.000 3.070 192 D HA -0.245 4.396 4.640 0.001 0.000 0.220 192 D C 0.538 176.875 176.300 0.062 0.000 1.176 192 D CA 1.249 55.259 54.000 0.017 0.000 0.924 192 D CB -0.431 40.422 40.800 0.089 0.000 1.124 192 D HN 0.403 nan 8.370 nan 0.000 0.411 193 I N -1.270 119.250 120.570 -0.084 0.000 3.814 193 I HA 0.092 4.263 4.170 0.001 0.000 0.264 193 I C 0.691 176.879 176.117 0.119 0.000 1.145 193 I CA 0.366 61.707 61.300 0.068 0.000 1.375 193 I CB 0.230 38.248 38.000 0.031 0.000 1.638 193 I HN -0.138 nan 8.210 nan 0.000 0.432 194 I N 1.882 122.431 120.570 -0.034 0.000 2.389 194 I HA 0.275 4.446 4.170 0.001 0.000 0.288 194 I C -1.284 174.821 176.117 -0.019 0.000 0.999 194 I CA -0.526 60.821 61.300 0.079 0.000 1.129 194 I CB 0.974 39.004 38.000 0.050 0.000 1.288 194 I HN 0.037 nan 8.210 nan 0.000 0.444 195 Y N 4.684 125.075 120.300 0.152 0.000 2.345 195 Y HA 0.392 4.943 4.550 0.001 0.000 0.331 195 Y C 0.359 176.329 175.900 0.117 0.000 0.959 195 Y CA -0.833 57.356 58.100 0.148 0.000 1.204 195 Y CB 0.941 39.556 38.460 0.258 0.000 1.135 195 Y HN 0.407 nan 8.280 nan 0.000 0.477 196 N N 2.290 121.054 118.700 0.107 0.000 2.444 196 N HA 0.353 5.094 4.740 0.001 0.000 0.262 196 N C 0.900 176.344 175.510 -0.109 0.000 0.974 196 N CA 0.470 53.513 53.050 -0.013 0.000 0.933 196 N CB 1.825 40.199 38.487 -0.188 0.000 1.137 196 N HN 0.976 nan 8.380 nan 0.000 0.498 197 G N 1.555 110.315 108.800 -0.067 0.000 2.179 197 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 197 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 197 G C 0.138 174.887 174.900 -0.252 0.000 0.977 197 G CA 0.686 45.670 45.100 -0.194 0.000 0.641 197 G HN 0.657 nan 8.290 nan 0.000 0.533 198 I N -1.737 118.753 120.570 -0.135 0.000 2.934 198 I HA 0.824 4.995 4.170 0.001 0.000 0.306 198 I C 0.237 176.357 176.117 0.005 0.000 1.110 198 I CA -0.625 60.505 61.300 -0.283 0.000 1.019 198 I CB 2.053 39.697 38.000 -0.593 0.000 1.227 198 I HN 0.179 nan 8.210 nan 0.000 0.434 199 T N -0.436 114.056 114.554 -0.104 0.000 2.922 199 T HA 0.400 4.751 4.350 0.001 0.000 0.285 199 T C -0.210 174.283 174.700 -0.346 0.000 1.005 199 T CA -0.673 61.206 62.100 -0.368 0.000 1.061 199 T CB 1.399 70.154 68.868 -0.188 0.000 1.007 199 T HN 0.755 nan 8.240 nan 0.000 0.502 200 D N 0.490 120.399 120.400 -0.818 0.000 2.447 200 D HA 0.036 4.677 4.640 0.001 0.000 0.265 200 D C 1.006 177.232 176.300 -0.123 0.000 1.250 200 D CA -1.083 52.475 54.000 -0.736 0.000 1.046 200 D CB 0.086 40.356 40.800 -0.884 0.000 1.095 200 D HN 0.710 nan 8.370 nan 0.000 0.555 201 W N 0.138 121.398 121.300 -0.067 0.000 2.315 201 W HA -0.246 4.414 4.660 0.001 0.000 0.323 201 W C 2.208 178.631 176.519 -0.160 0.000 1.233 201 W CA 2.574 59.868 57.345 -0.086 0.000 1.267 201 W CB -0.509 28.838 29.460 -0.189 0.000 1.160 201 W HN 0.187 nan 8.180 nan 0.000 0.474 202 V N -0.200 119.806 119.914 0.154 0.000 2.427 202 V HA -0.294 3.827 4.120 0.001 0.000 0.248 202 V C 1.861 177.803 176.094 -0.253 0.000 1.051 202 V CA 2.031 64.303 62.300 -0.046 0.000 1.048 202 V CB -0.743 31.055 31.823 -0.042 0.000 0.666 202 V HN 0.319 nan 8.190 nan 0.000 0.456 203 Y N 0.461 120.605 120.300 -0.261 0.000 2.373 203 Y HA -0.133 4.418 4.550 0.001 0.000 0.293 203 Y C 2.570 178.387 175.900 -0.139 0.000 1.129 203 Y CA 1.955 59.920 58.100 -0.225 0.000 1.226 203 Y CB 0.061 38.273 38.460 -0.412 0.000 1.000 203 Y HN 0.390 nan 8.280 nan 0.000 0.549 204 E N 0.294 120.457 120.200 -0.062 0.000 2.028 204 E HA -0.253 4.098 4.350 0.001 0.000 0.190 204 E C 1.999 178.561 176.600 -0.064 0.000 0.984 204 E CA 1.364 57.757 56.400 -0.012 0.000 0.800 204 E CB 0.047 29.730 29.700 -0.029 0.000 0.758 204 E HN 0.347 nan 8.360 nan 0.000 0.448 205 E N 0.638 120.603 120.200 -0.392 0.000 2.028 205 E HA -0.167 4.184 4.350 0.001 0.000 0.190 205 E C 1.790 178.270 176.600 -0.200 0.000 0.984 205 E CA 1.671 57.818 56.400 -0.422 0.000 0.800 205 E CB 0.043 29.107 29.700 -1.061 0.000 0.758 205 E HN 0.233 nan 8.360 nan 0.000 0.448 206 E N -0.637 119.422 120.200 -0.234 0.000 2.340 206 E HA 0.056 4.407 4.350 0.001 0.000 0.194 206 E C 1.855 178.333 176.600 -0.202 0.000 0.996 206 E CA 0.459 56.767 56.400 -0.153 0.000 0.869 206 E CB 0.734 30.335 29.700 -0.165 0.000 0.835 206 E HN 0.211 nan 8.360 nan 0.000 0.493 207 V N -0.520 119.231 119.914 -0.272 0.000 2.870 207 V HA 0.037 4.157 4.120 0.001 0.000 0.232 207 V C 1.475 177.316 176.094 -0.422 0.000 1.161 207 V CA 0.617 62.665 62.300 -0.421 0.000 1.204 207 V CB -0.299 31.152 31.823 -0.619 0.000 1.003 207 V HN 0.017 nan 8.190 nan 0.000 0.499 208 F N 0.693 120.679 119.950 0.060 0.000 2.754 208 F HA 0.271 4.799 4.527 0.001 0.000 0.297 208 F C 1.551 177.321 175.800 -0.050 0.000 1.122 208 F CA 0.377 58.415 58.000 0.064 0.000 1.400 208 F CB -0.313 38.769 39.000 0.136 0.000 1.117 208 F HN 0.073 nan 8.300 nan 0.000 0.587 209 S N 0.447 116.162 115.700 0.024 0.000 3.614 209 S HA 0.030 4.501 4.470 0.001 0.000 0.360 209 S C 0.014 174.204 174.600 -0.684 0.000 1.023 209 S CA 0.381 58.443 58.200 -0.229 0.000 1.114 209 S CB -1.705 61.409 63.200 -0.144 0.000 0.907 209 S HN 0.696 nan 8.310 nan 0.000 0.470 210 A N -0.504 122.154 122.820 -0.269 0.000 2.597 210 A HA 0.664 4.985 4.320 0.001 0.000 0.292 210 A C -0.350 177.213 177.584 -0.035 0.000 1.057 210 A CA -0.471 51.432 52.037 -0.222 0.000 0.674 210 A CB 0.232 19.103 19.000 -0.215 0.000 1.278 210 A HN 0.372 nan 8.150 nan 0.000 0.416 211 Y N 1.712 121.849 120.300 -0.271 0.000 2.420 211 Y HA 0.145 4.696 4.550 0.001 0.000 0.292 211 Y C 1.562 177.165 175.900 -0.495 0.000 1.119 211 Y CA 0.809 58.750 58.100 -0.265 0.000 1.229 211 Y CB -0.024 38.322 38.460 -0.190 0.000 1.026 211 Y HN 0.791 nan 8.280 nan 0.000 0.554 212 S N 0.454 115.628 115.700 -0.876 0.000 2.580 212 S HA 0.543 5.014 4.470 0.001 0.000 0.274 212 S C 0.278 174.343 174.600 -0.892 0.000 1.329 212 S CA -0.138 57.332 58.200 -1.217 0.000 1.036 212 S CB 1.510 63.542 63.200 -1.946 0.000 0.919 212 S HN 0.412 nan 8.310 nan 0.000 0.515 213 A N 3.383 125.677 122.820 -0.876 0.000 2.806 213 A HA 0.540 4.861 4.320 0.001 0.000 0.266 213 A C -0.386 176.465 177.584 -1.221 0.000 0.926 213 A CA -0.597 50.821 52.037 -1.033 0.000 1.068 213 A CB -0.101 18.761 19.000 -0.229 0.000 1.189 213 A HN 0.789 nan 8.150 nan 0.000 0.481 214 L N 0.506 120.932 121.223 -1.328 0.000 2.365 214 L HA 0.595 4.936 4.340 0.001 0.000 0.273 214 L C -1.124 175.271 176.870 -0.792 0.000 1.000 214 L CA -0.549 53.838 54.840 -0.756 0.000 0.819 214 L CB 1.826 43.648 42.059 -0.395 0.000 1.284 214 L HN 0.457 nan 8.230 nan 0.000 0.418 215 W N 2.635 123.975 121.300 0.068 0.000 2.591 215 W HA 0.221 4.881 4.660 0.001 0.000 0.311 215 W C -1.060 175.697 176.519 0.395 0.000 1.003 215 W CA -1.087 56.423 57.345 0.275 0.000 1.332 215 W CB 1.227 30.895 29.460 0.346 0.000 1.272 215 W HN 0.501 nan 8.180 nan 0.000 0.412 216 W N 2.555 124.067 121.300 0.354 0.000 2.190 216 W HA 0.203 4.864 4.660 0.001 0.000 0.330 216 W C 1.364 177.718 176.519 -0.274 0.000 1.299 216 W CA 0.359 57.772 57.345 0.113 0.000 1.215 216 W CB 0.824 30.326 29.460 0.070 0.000 1.147 216 W HN 0.176 nan 8.180 nan 0.000 0.563 217 S N 2.584 118.028 115.700 -0.426 0.000 2.600 217 S HA 0.172 4.643 4.470 0.001 0.000 0.265 217 S C -1.758 172.549 174.600 -0.489 0.000 1.325 217 S CA -1.010 56.330 58.200 -1.433 0.000 1.002 217 S CB 0.869 63.308 63.200 -1.269 0.000 0.921 217 S HN 0.293 nan 8.310 nan 0.000 0.554 218 P HA -0.179 nan 4.420 nan 0.000 0.217 218 P C 0.830 178.078 177.300 -0.086 0.000 1.158 218 P CA 1.800 64.845 63.100 -0.092 0.000 0.887 218 P CB -0.221 31.478 31.700 -0.002 0.000 0.792 219 N N -2.411 116.220 118.700 -0.114 0.000 2.230 219 N HA 0.156 4.897 4.740 0.001 0.000 0.202 219 N C 1.077 176.485 175.510 -0.169 0.000 1.119 219 N CA 0.473 53.453 53.050 -0.116 0.000 0.851 219 N CB -0.541 37.894 38.487 -0.086 0.000 0.990 219 N HN 0.196 nan 8.380 nan 0.000 0.497 220 G N -1.077 107.620 108.800 -0.171 0.000 2.176 220 G HA2 -0.343 3.618 3.960 0.001 0.000 0.253 220 G HA3 -0.343 3.618 3.960 0.001 0.000 0.253 220 G C 1.007 175.911 174.900 0.006 0.000 0.979 220 G CA 0.683 45.663 45.100 -0.200 0.000 0.641 220 G HN 0.362 nan 8.290 nan 0.000 0.530 221 T N 0.270 114.756 114.554 -0.114 0.000 2.643 221 T HA 0.179 4.530 4.350 0.001 0.000 0.264 221 T C 0.912 175.482 174.700 -0.217 0.000 1.045 221 T CA 1.417 63.355 62.100 -0.269 0.000 1.155 221 T CB -0.124 68.405 68.868 -0.564 0.000 0.863 221 T HN 0.266 nan 8.240 nan 0.000 0.420 222 F N 0.363 120.350 119.950 0.062 0.000 2.399 222 F HA 0.613 5.141 4.527 0.001 0.000 0.328 222 F C -0.129 175.761 175.800 0.149 0.000 1.084 222 F CA -1.654 56.420 58.000 0.124 0.000 1.053 222 F CB 0.956 40.081 39.000 0.207 0.000 1.209 222 F HN -0.067 nan 8.300 nan 0.000 0.502 223 L N 2.670 124.075 121.223 0.303 0.000 2.372 223 L HA 0.788 5.128 4.340 0.001 0.000 0.273 223 L C -0.678 176.295 176.870 0.171 0.000 0.989 223 L CA -0.448 54.399 54.840 0.011 0.000 0.841 223 L CB 0.767 42.563 42.059 -0.438 0.000 1.225 223 L HN 0.659 nan 8.230 nan 0.000 0.414 224 A N 4.590 127.586 122.820 0.294 0.000 2.304 224 A HA 0.787 5.108 4.320 0.001 0.000 0.301 224 A C -1.344 176.338 177.584 0.163 0.000 1.132 224 A CA -0.193 51.896 52.037 0.088 0.000 0.819 224 A CB 0.557 19.670 19.000 0.189 0.000 1.094 224 A HN 0.930 nan 8.150 nan 0.000 0.492 225 Y N -1.872 118.248 120.300 -0.300 0.000 2.624 225 Y HA 0.737 5.288 4.550 0.001 0.000 0.334 225 Y C -0.377 175.419 175.900 -0.172 0.000 1.155 225 Y CA -0.857 57.173 58.100 -0.116 0.000 1.046 225 Y CB 0.786 39.133 38.460 -0.188 0.000 1.316 225 Y HN 0.938 nan 8.280 nan 0.000 0.457 226 A N 2.178 125.124 122.820 0.210 0.000 2.311 226 A HA 0.719 5.039 4.320 0.001 0.000 0.334 226 A C -1.208 176.336 177.584 -0.068 0.000 1.139 226 A CA -0.867 51.165 52.037 -0.009 0.000 0.830 226 A CB 1.804 20.727 19.000 -0.129 0.000 1.234 226 A HN 0.822 nan 8.150 nan 0.000 0.483 227 Q N 0.819 120.496 119.800 -0.205 0.000 2.321 227 Q HA 0.596 4.936 4.340 0.001 0.000 0.270 227 Q C -2.091 173.742 176.000 -0.278 0.000 1.032 227 Q CA -0.343 55.431 55.803 -0.048 0.000 0.784 227 Q CB 1.111 30.002 28.738 0.254 0.000 1.264 227 Q HN 0.599 nan 8.270 nan 0.000 0.448 228 F N 2.247 122.298 119.950 0.169 0.000 2.443 228 F HA 0.432 4.960 4.527 0.001 0.000 0.335 228 F C 0.441 176.394 175.800 0.256 0.000 1.104 228 F CA -0.870 57.207 58.000 0.128 0.000 1.013 228 F CB 1.429 40.400 39.000 -0.049 0.000 1.136 228 F HN 0.427 nan 8.300 nan 0.000 0.470 229 N N 1.888 120.816 118.700 0.380 0.000 2.479 229 N HA 0.221 4.962 4.740 0.001 0.000 0.261 229 N C -0.955 174.735 175.510 0.300 0.000 0.979 229 N CA -0.310 52.926 53.050 0.310 0.000 0.930 229 N CB 1.141 39.754 38.487 0.210 0.000 1.172 229 N HN 0.564 nan 8.380 nan 0.000 0.499 230 D N 1.364 121.965 120.400 0.335 0.000 2.424 230 D HA 0.132 4.773 4.640 0.001 0.000 0.220 230 D C 1.243 177.666 176.300 0.206 0.000 1.150 230 D CA 0.114 54.284 54.000 0.283 0.000 0.831 230 D CB 0.571 41.593 40.800 0.370 0.000 0.981 230 D HN 0.463 nan 8.370 nan 0.000 0.500 231 T N 0.513 115.171 114.554 0.173 0.000 2.624 231 T HA -0.249 4.102 4.350 0.001 0.000 0.266 231 T C 1.292 176.053 174.700 0.102 0.000 1.050 231 T CA 1.479 63.652 62.100 0.122 0.000 1.163 231 T CB -0.094 68.835 68.868 0.101 0.000 0.861 231 T HN 0.306 nan 8.240 nan 0.000 0.443 232 E N 0.246 120.506 120.200 0.100 0.000 2.465 232 E HA 0.188 4.539 4.350 0.001 0.000 0.195 232 E C -0.536 176.116 176.600 0.086 0.000 1.028 232 E CA -0.271 56.177 56.400 0.081 0.000 0.899 232 E CB 0.580 30.320 29.700 0.067 0.000 1.032 232 E HN 0.205 nan 8.360 nan 0.000 0.468 233 V N 3.364 123.343 119.914 0.109 0.000 2.455 233 V HA 0.118 4.239 4.120 0.001 0.000 0.273 233 V C -1.977 174.176 176.094 0.097 0.000 1.045 233 V CA -1.648 60.719 62.300 0.112 0.000 0.976 233 V CB 0.392 32.300 31.823 0.142 0.000 0.993 233 V HN 0.050 nan 8.190 nan 0.000 0.475 234 P HA 0.205 nan 4.420 nan 0.000 0.269 234 P C -0.720 176.616 177.300 0.060 0.000 1.217 234 P CA -0.153 62.983 63.100 0.060 0.000 0.783 234 P CB 0.481 32.214 31.700 0.054 0.000 0.898 235 L N 1.691 122.927 121.223 0.022 0.000 2.317 235 L HA 0.472 4.813 4.340 0.001 0.000 0.281 235 L C 0.245 177.065 176.870 -0.083 0.000 1.024 235 L CA -0.997 53.838 54.840 -0.008 0.000 0.810 235 L CB 1.135 43.185 42.059 -0.015 0.000 1.240 235 L HN 0.279 nan 8.230 nan 0.000 0.427 236 I N 2.224 122.697 120.570 -0.162 0.000 2.396 236 I HA 0.280 4.451 4.170 0.001 0.000 0.292 236 I C -0.376 175.586 176.117 -0.258 0.000 0.999 236 I CA 0.164 61.265 61.300 -0.332 0.000 1.310 236 I CB 0.905 38.450 38.000 -0.758 0.000 1.404 236 I HN 0.579 nan 8.210 nan 0.000 0.496 237 E N 7.229 127.295 120.200 -0.224 0.000 2.248 237 E HA 0.523 4.874 4.350 0.001 0.000 0.267 237 E C -1.802 174.723 176.600 -0.125 0.000 0.877 237 E CA -0.584 55.686 56.400 -0.216 0.000 0.759 237 E CB 2.152 31.759 29.700 -0.156 0.000 1.182 237 E HN 0.583 nan 8.360 nan 0.000 0.418 238 Y N -1.747 118.471 120.300 -0.138 0.000 2.609 238 Y HA 0.553 5.104 4.550 0.001 0.000 0.336 238 Y C -0.769 175.071 175.900 -0.101 0.000 1.129 238 Y CA -1.223 56.805 58.100 -0.119 0.000 1.040 238 Y CB 0.854 39.251 38.460 -0.105 0.000 1.310 238 Y HN 0.214 nan 8.280 nan 0.000 0.460 239 S N 1.701 117.418 115.700 0.027 0.000 2.601 239 S HA 0.535 5.006 4.470 0.001 0.000 0.271 239 S C -1.469 173.014 174.600 -0.194 0.000 1.305 239 S CA -0.394 57.679 58.200 -0.211 0.000 1.022 239 S CB 0.680 63.605 63.200 -0.458 0.000 0.940 239 S HN 0.533 nan 8.310 nan 0.000 0.525 240 F N 1.699 121.388 119.950 -0.434 0.000 2.536 240 F HA 0.438 4.966 4.527 0.001 0.000 0.322 240 F C -0.364 175.180 175.800 -0.427 0.000 1.144 240 F CA -0.896 56.942 58.000 -0.271 0.000 0.924 240 F CB 0.896 39.861 39.000 -0.057 0.000 1.181 240 F HN 0.648 nan 8.300 nan 0.000 0.438 241 Y N 2.638 122.702 120.300 -0.394 0.000 2.397 241 Y HA 0.142 4.693 4.550 0.001 0.000 0.292 241 Y C 1.701 177.537 175.900 -0.107 0.000 1.115 241 Y CA 1.104 59.090 58.100 -0.191 0.000 1.208 241 Y CB -0.471 37.870 38.460 -0.198 0.000 1.046 241 Y HN 0.733 nan 8.280 nan 0.000 0.552 242 S N -0.291 115.337 115.700 -0.121 0.000 3.443 242 S HA -0.218 4.253 4.470 0.001 0.000 0.635 242 S C -0.574 174.087 174.600 0.101 0.000 2.555 242 S CA 0.247 58.537 58.200 0.151 0.000 2.778 242 S CB -1.197 62.178 63.200 0.291 0.000 0.331 242 S HN 0.449 nan 8.310 nan 0.000 1.765 243 D N 1.872 122.344 120.400 0.120 0.000 2.378 243 D HA 0.167 4.808 4.640 0.001 0.000 0.238 243 D C 1.472 177.809 176.300 0.062 0.000 1.180 243 D CA 0.595 54.643 54.000 0.080 0.000 0.895 243 D CB 0.254 41.100 40.800 0.076 0.000 1.192 243 D HN 0.715 nan 8.370 nan 0.000 0.438 244 E N -0.238 119.985 120.200 0.040 0.000 2.333 244 E HA -0.194 4.157 4.350 0.001 0.000 0.198 244 E C 1.234 177.848 176.600 0.024 0.000 1.007 244 E CA 1.147 57.561 56.400 0.024 0.000 0.845 244 E CB 0.016 29.720 29.700 0.008 0.000 0.766 244 E HN 0.322 nan 8.360 nan 0.000 0.507 245 S N 0.552 116.271 115.700 0.033 0.000 2.453 245 S HA -0.101 4.369 4.470 0.001 0.000 0.231 245 S C 0.972 175.595 174.600 0.038 0.000 1.005 245 S CA -0.006 58.213 58.200 0.031 0.000 0.949 245 S CB -0.340 62.881 63.200 0.034 0.000 0.774 245 S HN 0.312 nan 8.310 nan 0.000 0.510 246 L N 2.714 123.971 121.223 0.056 0.000 2.530 246 L HA 0.250 4.591 4.340 0.001 0.000 0.273 246 L C 1.446 178.346 176.870 0.049 0.000 1.141 246 L CA 0.203 55.086 54.840 0.071 0.000 0.905 246 L CB 0.364 42.483 42.059 0.100 0.000 1.202 246 L HN 0.306 nan 8.230 nan 0.000 0.473 247 Q N 3.923 123.747 119.800 0.041 0.000 2.046 247 Q HA -0.112 4.228 4.340 0.001 0.000 0.200 247 Q C -0.465 175.433 176.000 -0.170 0.000 0.975 247 Q CA 1.443 57.206 55.803 -0.067 0.000 0.836 247 Q CB 0.108 28.812 28.738 -0.057 0.000 0.896 247 Q HN 0.675 nan 8.270 nan 0.000 0.428 248 Y N 0.605 120.920 120.300 0.025 0.000 2.335 248 Y HA 0.371 4.921 4.550 0.001 0.000 0.338 248 Y C -2.036 173.873 175.900 0.016 0.000 0.977 248 Y CA -2.922 55.189 58.100 0.018 0.000 1.114 248 Y CB 1.308 39.770 38.460 0.004 0.000 1.182 248 Y HN 0.158 nan 8.280 nan 0.000 0.463 249 P HA 0.009 nan 4.420 nan 0.000 0.267 249 P C -0.695 176.609 177.300 0.007 0.000 1.200 249 P CA -0.413 62.699 63.100 0.019 0.000 0.772 249 P CB 0.681 32.331 31.700 -0.083 0.000 0.855 250 K N 1.375 121.766 120.400 -0.015 0.000 2.118 250 K HA 0.326 4.647 4.320 0.001 0.000 0.267 250 K C -0.717 175.841 176.600 -0.069 0.000 0.991 250 K CA -0.301 55.983 56.287 -0.005 0.000 0.916 250 K CB 0.528 33.059 32.500 0.052 0.000 1.041 250 K HN 0.319 nan 8.250 nan 0.000 0.455 251 T N 3.148 117.647 114.554 -0.092 0.000 2.756 251 T HA 0.226 4.576 4.350 0.001 0.000 0.290 251 T C -0.575 174.002 174.700 -0.204 0.000 0.985 251 T CA -0.606 61.403 62.100 -0.150 0.000 0.955 251 T CB 0.981 69.774 68.868 -0.125 0.000 0.930 251 T HN 0.301 nan 8.240 nan 0.000 0.451 252 V N 5.504 125.202 119.914 -0.360 0.000 2.546 252 V HA 0.429 4.550 4.120 0.001 0.000 0.284 252 V C 0.460 176.290 176.094 -0.440 0.000 1.050 252 V CA -0.523 61.520 62.300 -0.429 0.000 0.981 252 V CB 0.886 32.314 31.823 -0.659 0.000 0.990 252 V HN 0.709 nan 8.190 nan 0.000 0.474 253 R N 3.450 123.819 120.500 -0.218 0.000 2.476 253 R HA 0.709 5.050 4.340 0.001 0.000 0.305 253 R C -1.705 174.582 176.300 -0.023 0.000 0.965 253 R CA -0.578 55.437 56.100 -0.141 0.000 0.867 253 R CB 2.161 32.409 30.300 -0.086 0.000 1.176 253 R HN 0.508 nan 8.270 nan 0.000 0.447 254 V N 4.054 123.952 119.914 -0.027 0.000 2.531 254 V HA 0.325 4.446 4.120 0.001 0.000 0.301 254 V C -2.385 173.753 176.094 0.073 0.000 1.034 254 V CA -2.470 59.877 62.300 0.078 0.000 0.865 254 V CB 2.218 34.041 31.823 0.000 0.000 0.995 254 V HN 0.603 nan 8.190 nan 0.000 0.424 255 P HA 0.161 nan 4.420 nan 0.000 0.264 255 P C -1.362 176.042 177.300 0.174 0.000 1.229 255 P CA 0.328 63.532 63.100 0.173 0.000 0.780 255 P CB -0.180 31.667 31.700 0.245 0.000 0.808 256 Y N 6.663 126.933 120.300 -0.050 0.000 2.315 256 Y HA 0.387 4.938 4.550 0.001 0.000 0.324 256 Y C -2.724 173.142 175.900 -0.056 0.000 1.062 256 Y CA -2.968 55.052 58.100 -0.134 0.000 1.159 256 Y CB 1.788 40.038 38.460 -0.350 0.000 1.145 256 Y HN 0.280 nan 8.280 nan 0.000 0.442 257 P HA 0.235 nan 4.420 nan 0.000 0.286 257 P C -0.932 176.422 177.300 0.090 0.000 1.321 257 P CA -0.177 62.970 63.100 0.078 0.000 0.790 257 P CB 1.320 33.049 31.700 0.048 0.000 0.897 258 K N 2.096 122.626 120.400 0.217 0.000 2.102 258 K HA 0.490 4.811 4.320 0.001 0.000 0.244 258 K C 0.582 177.282 176.600 0.167 0.000 1.021 258 K CA -0.716 55.717 56.287 0.244 0.000 0.913 258 K CB 0.603 33.260 32.500 0.261 0.000 1.062 258 K HN 0.454 nan 8.250 nan 0.000 0.485 259 A N 0.726 123.670 122.820 0.207 0.000 2.580 259 A HA 0.264 4.584 4.320 0.001 0.000 0.244 259 A C 1.215 178.842 177.584 0.073 0.000 1.045 259 A CA 1.081 53.229 52.037 0.185 0.000 0.761 259 A CB -1.161 18.039 19.000 0.334 0.000 0.962 259 A HN 0.910 nan 8.150 nan 0.000 0.512 260 G N 1.024 109.855 108.800 0.052 0.000 2.225 260 G HA2 0.090 4.051 3.960 0.001 0.000 0.254 260 G HA3 0.090 4.051 3.960 0.001 0.000 0.254 260 G C 0.751 175.667 174.900 0.026 0.000 0.988 260 G CA 0.787 45.891 45.100 0.006 0.000 0.625 260 G HN 2.203 nan 8.290 nan 0.000 0.527 261 A N -0.196 122.656 122.820 0.053 0.000 2.267 261 A HA 0.712 5.033 4.320 0.001 0.000 0.271 261 A C 0.878 178.496 177.584 0.056 0.000 1.131 261 A CA 0.415 52.486 52.037 0.057 0.000 0.818 261 A CB 0.524 19.571 19.000 0.079 0.000 1.118 261 A HN 1.170 nan 8.150 nan 0.000 0.501 262 V N 2.237 122.186 119.914 0.057 0.000 2.521 262 V HA 0.058 4.179 4.120 0.001 0.000 0.286 262 V C 0.279 176.419 176.094 0.078 0.000 1.034 262 V CA -0.157 62.177 62.300 0.057 0.000 1.045 262 V CB 0.090 31.947 31.823 0.057 0.000 0.974 262 V HN 0.794 nan 8.190 nan 0.000 0.480 263 N N 5.995 124.742 118.700 0.077 0.000 2.489 263 N HA 0.499 5.240 4.740 0.001 0.000 0.284 263 N C -2.371 173.225 175.510 0.144 0.000 1.158 263 N CA -1.480 51.640 53.050 0.116 0.000 0.965 263 N CB 1.297 39.848 38.487 0.108 0.000 1.195 263 N HN 0.401 nan 8.380 nan 0.000 0.506 264 P HA 0.133 nan 4.420 nan 0.000 0.274 264 P C -0.494 176.964 177.300 0.263 0.000 1.246 264 P CA -0.171 63.086 63.100 0.262 0.000 0.795 264 P CB 0.475 32.379 31.700 0.340 0.000 1.006 265 T N -2.136 112.553 114.554 0.224 0.000 2.952 265 T HA 0.617 4.968 4.350 0.001 0.000 0.286 265 T C -0.332 174.487 174.700 0.199 0.000 1.024 265 T CA -0.863 61.324 62.100 0.145 0.000 1.029 265 T CB 1.497 70.414 68.868 0.082 0.000 1.094 265 T HN 0.356 nan 8.240 nan 0.000 0.515 266 V N 0.228 120.226 119.914 0.141 0.000 2.925 266 V HA 0.763 4.884 4.120 0.001 0.000 0.311 266 V C -1.644 174.527 176.094 0.128 0.000 1.104 266 V CA -0.840 61.499 62.300 0.065 0.000 0.954 266 V CB 2.113 33.981 31.823 0.075 0.000 1.022 266 V HN 1.056 nan 8.190 nan 0.000 0.427 267 K N 4.265 124.685 120.400 0.032 0.000 2.477 267 K HA 0.587 4.908 4.320 0.001 0.000 0.255 267 K C -1.972 174.578 176.600 -0.083 0.000 0.952 267 K CA -0.516 55.769 56.287 -0.004 0.000 0.826 267 K CB 2.820 35.286 32.500 -0.058 0.000 1.331 267 K HN 0.540 nan 8.250 nan 0.000 0.437 268 F N 2.092 121.775 119.950 -0.445 0.000 2.507 268 F HA 0.568 5.096 4.527 0.001 0.000 0.325 268 F C -1.462 173.841 175.800 -0.829 0.000 1.116 268 F CA -0.737 56.979 58.000 -0.472 0.000 0.930 268 F CB 0.828 39.655 39.000 -0.289 0.000 1.146 268 F HN 0.379 nan 8.300 nan 0.000 0.447 269 F N 3.845 123.055 119.950 -1.233 0.000 2.603 269 F HA 0.788 5.316 4.527 0.001 0.000 0.317 269 F C -0.924 174.202 175.800 -1.122 0.000 1.066 269 F CA -1.207 56.152 58.000 -1.067 0.000 0.941 269 F CB 2.076 40.347 39.000 -1.214 0.000 1.291 269 F HN 0.119 nan 8.300 nan 0.000 0.472 270 V N 2.220 121.901 119.914 -0.389 0.000 2.686 270 V HA 0.655 4.776 4.120 0.001 0.000 0.306 270 V C -1.262 174.895 176.094 0.105 0.000 1.065 270 V CA -0.816 61.336 62.300 -0.246 0.000 0.894 270 V CB 2.032 33.513 31.823 -0.571 0.000 1.004 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 3.974 124.028 119.914 0.233 0.000 2.735 271 V HA 0.592 4.713 4.120 0.001 0.000 0.310 271 V C -0.599 175.732 176.094 0.394 0.000 1.061 271 V CA -0.611 61.865 62.300 0.294 0.000 0.913 271 V CB 2.257 34.206 31.823 0.210 0.000 1.005 271 V HN 0.927 nan 8.190 nan 0.000 0.428 272 N N 3.311 122.230 118.700 0.365 0.000 2.406 272 N HA 0.135 4.876 4.740 0.001 0.000 0.251 272 N C 1.007 176.554 175.510 0.062 0.000 1.069 272 N CA 0.550 53.741 53.050 0.236 0.000 0.947 272 N CB 1.683 40.279 38.487 0.182 0.000 1.111 272 N HN 0.917 nan 8.380 nan 0.000 0.497 273 T N -0.409 114.166 114.554 0.035 0.000 3.160 273 T HA 0.045 4.396 4.350 0.001 0.000 0.257 273 T C 0.595 175.260 174.700 -0.059 0.000 1.147 273 T CA 0.496 62.600 62.100 0.008 0.000 1.064 273 T CB 0.178 69.141 68.868 0.158 0.000 0.949 273 T HN 0.252 nan 8.240 nan 0.000 0.526 274 D N 1.872 122.218 120.400 -0.090 0.000 2.333 274 D HA 0.061 4.702 4.640 0.001 0.000 0.208 274 D C 1.189 177.439 176.300 -0.083 0.000 0.984 274 D CA 0.619 54.562 54.000 -0.095 0.000 0.873 274 D CB 0.254 40.977 40.800 -0.128 0.000 0.935 274 D HN 0.631 nan 8.370 nan 0.000 0.521 275 S N 0.042 115.697 115.700 -0.075 0.000 2.525 275 S HA 0.329 4.800 4.470 0.001 0.000 0.242 275 S C 0.304 174.857 174.600 -0.079 0.000 1.164 275 S CA -0.588 57.584 58.200 -0.048 0.000 1.154 275 S CB -0.182 63.020 63.200 0.005 0.000 0.875 275 S HN -0.021 nan 8.310 nan 0.000 0.482 276 L N 1.740 122.841 121.223 -0.204 0.000 2.350 276 L HA 0.579 4.920 4.340 0.001 0.000 0.275 276 L C 0.497 177.239 176.870 -0.213 0.000 1.099 276 L CA -0.288 54.352 54.840 -0.335 0.000 0.808 276 L CB 1.522 43.060 42.059 -0.868 0.000 1.149 276 L HN 0.339 nan 8.230 nan 0.000 0.442 277 S N 0.109 115.800 115.700 -0.014 0.000 2.532 277 S HA 0.342 4.813 4.470 0.001 0.000 0.301 277 S C 0.639 175.425 174.600 0.311 0.000 1.083 277 S CA -0.637 57.650 58.200 0.144 0.000 1.025 277 S CB 1.797 65.055 63.200 0.097 0.000 1.056 277 S HN 0.600 nan 8.310 nan 0.000 0.494 278 S N 2.361 118.239 115.700 0.297 0.000 2.528 278 S HA 0.046 4.517 4.470 0.001 0.000 0.219 278 S C 1.184 175.871 174.600 0.144 0.000 0.985 278 S CA 0.165 58.499 58.200 0.223 0.000 0.914 278 S CB 0.154 63.438 63.200 0.139 0.000 0.776 278 S HN 0.577 nan 8.310 nan 0.000 0.526 279 V N 0.704 120.693 119.914 0.125 0.000 3.621 279 V HA 0.188 4.309 4.120 0.001 0.000 0.263 279 V C 0.459 176.598 176.094 0.075 0.000 1.272 279 V CA 0.574 62.925 62.300 0.085 0.000 1.080 279 V CB 0.260 32.121 31.823 0.064 0.000 0.816 279 V HN 0.291 nan 8.190 nan 0.000 0.451 280 T N 0.805 115.415 114.554 0.093 0.000 2.876 280 T HA 0.389 4.739 4.350 0.001 0.000 0.289 280 T C -0.466 174.295 174.700 0.101 0.000 1.014 280 T CA -0.525 61.618 62.100 0.071 0.000 0.986 280 T CB 1.630 70.531 68.868 0.055 0.000 1.021 280 T HN 0.031 nan 8.240 nan 0.000 0.458 281 N N 2.162 120.904 118.700 0.070 0.000 2.475 281 N HA 0.358 5.099 4.740 0.001 0.000 0.267 281 N C 0.303 175.882 175.510 0.115 0.000 1.169 281 N CA -0.116 53.005 53.050 0.120 0.000 0.947 281 N CB 0.780 39.264 38.487 -0.004 0.000 1.061 281 N HN 0.877 nan 8.380 nan 0.000 0.466 282 A N 2.488 125.396 122.820 0.146 0.000 2.587 282 A HA 0.089 4.410 4.320 0.001 0.000 0.233 282 A C 0.323 177.963 177.584 0.094 0.000 1.049 282 A CA 0.413 52.507 52.037 0.095 0.000 0.754 282 A CB -0.059 18.983 19.000 0.069 0.000 0.977 282 A HN 0.555 nan 8.150 nan 0.000 0.509 283 T N 2.657 117.268 114.554 0.095 0.000 2.771 283 T HA 0.470 4.821 4.350 0.001 0.000 0.281 283 T C -0.012 174.774 174.700 0.142 0.000 0.982 283 T CA -0.143 62.021 62.100 0.107 0.000 0.978 283 T CB 0.996 69.928 68.868 0.106 0.000 0.930 283 T HN 0.568 nan 8.240 nan 0.000 0.447 284 S N 3.485 119.269 115.700 0.140 0.000 2.462 284 S HA 0.489 4.960 4.470 0.001 0.000 0.294 284 S C 0.018 174.767 174.600 0.249 0.000 1.144 284 S CA -0.809 57.501 58.200 0.183 0.000 1.088 284 S CB 0.425 63.688 63.200 0.106 0.000 1.009 284 S HN 0.474 nan 8.310 nan 0.000 0.484 285 I N 3.210 123.937 120.570 0.261 0.000 2.342 285 I HA 0.291 4.462 4.170 0.001 0.000 0.291 285 I C 0.539 176.757 176.117 0.168 0.000 1.010 285 I CA -0.270 61.184 61.300 0.258 0.000 1.308 285 I CB 1.040 39.263 38.000 0.372 0.000 1.400 285 I HN 0.663 nan 8.210 nan 0.000 0.488 286 Q N 6.010 125.869 119.800 0.099 0.000 2.235 286 Q HA 0.556 4.897 4.340 0.001 0.000 0.250 286 Q C -1.196 174.732 176.000 -0.121 0.000 0.909 286 Q CA -0.507 55.167 55.803 -0.215 0.000 0.910 286 Q CB 1.597 30.146 28.738 -0.314 0.000 1.223 286 Q HN 0.560 nan 8.270 nan 0.000 0.432 287 I N 3.764 124.242 120.570 -0.154 0.000 2.411 287 I HA 0.217 4.388 4.170 0.001 0.000 0.284 287 I C 0.034 176.142 176.117 -0.015 0.000 1.012 287 I CA -0.688 60.605 61.300 -0.011 0.000 1.119 287 I CB 1.710 39.758 38.000 0.079 0.000 1.261 287 I HN 0.695 nan 8.210 nan 0.000 0.448 288 T N 2.790 117.296 114.554 -0.079 0.000 2.882 288 T HA 0.682 5.032 4.350 0.001 0.000 0.287 288 T C 0.329 174.841 174.700 -0.314 0.000 1.014 288 T CA -0.761 61.234 62.100 -0.175 0.000 1.049 288 T CB 1.754 70.516 68.868 -0.177 0.000 1.001 288 T HN 0.560 nan 8.240 nan 0.000 0.525 289 A N 2.849 125.226 122.820 -0.738 0.000 2.332 289 A HA 0.631 4.952 4.320 0.001 0.000 0.258 289 A C -1.939 175.174 177.584 -0.785 0.000 1.087 289 A CA -1.763 49.431 52.037 -1.405 0.000 0.802 289 A CB -0.556 16.946 19.000 -2.497 0.000 1.042 289 A HN 0.813 nan 8.150 nan 0.000 0.489 290 P HA 0.119 nan 4.420 nan 0.000 0.269 290 P C 0.720 177.818 177.300 -0.336 0.000 1.215 290 P CA 0.588 63.476 63.100 -0.355 0.000 0.780 290 P CB 0.808 32.374 31.700 -0.224 0.000 0.898 291 A N 2.756 125.444 122.820 -0.220 0.000 1.948 291 A HA -0.206 4.115 4.320 0.001 0.000 0.220 291 A C 2.206 179.685 177.584 -0.176 0.000 1.177 291 A CA 2.418 54.344 52.037 -0.185 0.000 0.636 291 A CB -1.765 17.160 19.000 -0.126 0.000 0.815 291 A HN 0.684 nan 8.150 nan 0.000 0.449 292 S N -2.215 113.402 115.700 -0.139 0.000 2.547 292 S HA -0.049 4.422 4.470 0.001 0.000 0.235 292 S C 1.555 176.072 174.600 -0.139 0.000 0.980 292 S CA 1.635 59.768 58.200 -0.111 0.000 0.941 292 S CB -0.192 63.003 63.200 -0.009 0.000 0.763 292 S HN 0.357 nan 8.310 nan 0.000 0.532 293 M N 0.941 120.399 119.600 -0.237 0.000 2.691 293 M HA 0.490 4.970 4.480 0.001 0.000 0.261 293 M C 1.607 177.632 176.300 -0.457 0.000 1.227 293 M CA 0.830 55.918 55.300 -0.354 0.000 1.197 293 M CB -0.507 31.745 32.600 -0.579 0.000 1.294 293 M HN 0.240 nan 8.290 nan 0.000 0.508 294 L N 0.678 121.629 121.223 -0.453 0.000 2.450 294 L HA -0.126 4.215 4.340 0.001 0.000 0.224 294 L C 1.994 178.787 176.870 -0.129 0.000 1.149 294 L CA 0.690 55.351 54.840 -0.298 0.000 0.816 294 L CB -1.026 40.879 42.059 -0.257 0.000 0.932 294 L HN 0.391 nan 8.230 nan 0.000 0.449 295 I N -2.579 117.916 120.570 -0.125 0.000 2.700 295 I HA 0.078 4.248 4.170 0.001 0.000 0.261 295 I C 1.057 177.149 176.117 -0.042 0.000 1.219 295 I CA 0.729 61.981 61.300 -0.079 0.000 1.463 295 I CB -0.515 37.430 38.000 -0.092 0.000 1.092 295 I HN 0.114 nan 8.210 nan 0.000 0.452 296 G N -0.004 108.790 108.800 -0.009 0.000 2.554 296 G HA2 0.232 4.193 3.960 0.001 0.000 0.306 296 G HA3 0.232 4.193 3.960 0.001 0.000 0.306 296 G C -1.787 173.168 174.900 0.093 0.000 1.320 296 G CA -0.642 44.469 45.100 0.019 0.000 0.800 296 G HN 0.025 nan 8.290 nan 0.000 0.481 297 D N 1.292 121.698 120.400 0.009 0.000 2.472 297 D HA 0.386 5.026 4.640 0.001 0.000 0.237 297 D C 0.424 176.678 176.300 -0.076 0.000 1.141 297 D CA 0.892 54.841 54.000 -0.085 0.000 0.875 297 D CB 0.373 41.086 40.800 -0.145 0.000 1.192 297 D HN 0.579 nan 8.370 nan 0.000 0.450 298 H N -1.077 117.852 119.070 -0.236 0.000 2.918 298 H HA 0.439 4.996 4.556 0.001 0.000 0.303 298 H C -1.427 173.769 175.328 -0.220 0.000 1.380 298 H CA -0.801 55.119 56.048 -0.214 0.000 1.134 298 H CB 0.386 30.150 29.762 0.002 0.000 1.842 298 H HN 0.305 nan 8.280 nan 0.000 0.533 299 Y N -0.091 120.456 120.300 0.412 0.000 2.581 299 Y HA 0.424 4.975 4.550 0.001 0.000 0.345 299 Y C -0.528 175.670 175.900 0.497 0.000 1.036 299 Y CA -1.130 57.219 58.100 0.414 0.000 1.042 299 Y CB 2.018 40.580 38.460 0.170 0.000 1.289 299 Y HN 0.510 nan 8.280 nan 0.000 0.471 300 L N 2.779 124.362 121.223 0.600 0.000 2.264 300 L HA 0.453 4.794 4.340 0.001 0.000 0.289 300 L C 0.317 177.278 176.870 0.152 0.000 1.044 300 L CA -0.303 54.546 54.840 0.015 0.000 0.807 300 L CB 0.520 42.476 42.059 -0.171 0.000 1.192 300 L HN 0.971 nan 8.230 nan 0.000 0.425 301 C N 1.195 120.438 119.300 -0.095 0.000 3.230 301 C HA 0.514 4.974 4.460 0.001 0.000 0.300 301 C C 0.235 175.079 174.990 -0.243 0.000 1.292 301 C CA -0.406 58.487 59.018 -0.209 0.000 1.707 301 C CB -0.712 26.952 27.740 -0.127 0.000 2.181 301 C HN 0.852 nan 8.230 nan 0.000 0.655 302 D N -0.006 120.280 120.400 -0.189 0.000 2.769 302 D HA 0.441 5.082 4.640 0.001 0.000 0.219 302 D C -1.947 174.101 176.300 -0.419 0.000 1.245 302 D CA 0.096 54.005 54.000 -0.151 0.000 0.801 302 D CB 2.792 43.488 40.800 -0.172 0.000 1.598 302 D HN 0.037 nan 8.370 nan 0.000 0.485 303 V N 2.282 121.894 119.914 -0.503 0.000 2.569 303 V HA 0.530 4.651 4.120 0.001 0.000 0.301 303 V C -0.562 175.173 176.094 -0.598 0.000 1.044 303 V CA -0.389 61.375 62.300 -0.894 0.000 0.874 303 V CB 1.960 32.735 31.823 -1.747 0.000 1.002 303 V HN 0.642 nan 8.190 nan 0.000 0.424 304 T N 3.409 117.689 114.554 -0.457 0.000 2.991 304 T HA 0.391 4.742 4.350 0.001 0.000 0.303 304 T C -0.963 173.616 174.700 -0.202 0.000 1.015 304 T CA -0.483 61.510 62.100 -0.178 0.000 1.007 304 T CB 1.040 69.872 68.868 -0.059 0.000 1.034 304 T HN 0.509 nan 8.240 nan 0.000 0.446 305 W N 1.866 123.132 121.300 -0.056 0.000 2.218 305 W HA 0.514 5.175 4.660 0.001 0.000 0.326 305 W C 1.102 177.520 176.519 -0.169 0.000 1.276 305 W CA -0.323 56.972 57.345 -0.083 0.000 1.210 305 W CB 0.671 30.158 29.460 0.045 0.000 1.143 305 W HN 0.852 nan 8.180 nan 0.000 0.563 306 A N 1.688 124.403 122.820 -0.174 0.000 1.944 306 A HA 0.230 4.551 4.320 0.001 0.000 0.207 306 A C 0.817 178.376 177.584 -0.042 0.000 1.265 306 A CA 1.496 53.201 52.037 -0.553 0.000 0.712 306 A CB -0.343 17.821 19.000 -1.394 0.000 0.915 306 A HN 0.532 nan 8.150 nan 0.000 0.470 307 T N -5.577 109.052 114.554 0.125 0.000 2.681 307 T HA 0.336 4.687 4.350 0.001 0.000 0.296 307 T C 0.114 174.994 174.700 0.300 0.000 1.157 307 T CA -0.349 61.866 62.100 0.192 0.000 1.025 307 T CB 0.685 69.646 68.868 0.154 0.000 1.441 307 T HN -0.040 nan 8.240 nan 0.000 0.504 308 Q N 0.367 120.298 119.800 0.218 0.000 2.234 308 Q HA -0.022 4.319 4.340 0.001 0.000 0.206 308 Q C 0.799 177.061 176.000 0.437 0.000 0.980 308 Q CA 1.594 57.524 55.803 0.212 0.000 0.869 308 Q CB -0.164 28.655 28.738 0.135 0.000 0.912 308 Q HN 0.836 nan 8.270 nan 0.000 0.436 309 E N -0.300 120.177 120.200 0.462 0.000 2.876 309 E HA 0.205 4.556 4.350 0.001 0.000 0.208 309 E C -0.253 176.691 176.600 0.572 0.000 0.981 309 E CA -0.175 56.559 56.400 0.557 0.000 1.174 309 E CB 1.009 30.922 29.700 0.356 0.000 1.047 309 E HN -0.031 nan 8.360 nan 0.000 0.477 310 R N 1.602 122.434 120.500 0.552 0.000 2.538 310 R HA 0.526 4.867 4.340 0.001 0.000 0.292 310 R C -1.770 174.567 176.300 0.063 0.000 1.008 310 R CA -0.461 55.815 56.100 0.293 0.000 0.896 310 R CB 1.316 31.666 30.300 0.084 0.000 1.187 310 R HN 0.085 nan 8.270 nan 0.000 0.440 311 I N 3.137 123.562 120.570 -0.241 0.000 2.608 311 I HA 0.453 4.624 4.170 0.001 0.000 0.295 311 I C -0.906 174.891 176.117 -0.534 0.000 1.049 311 I CA -0.500 60.368 61.300 -0.721 0.000 1.063 311 I CB 2.256 39.393 38.000 -1.438 0.000 1.248 311 I HN 0.863 nan 8.210 nan 0.000 0.424 312 S N 7.486 122.863 115.700 -0.538 0.000 2.532 312 S HA 0.831 5.302 4.470 0.001 0.000 0.301 312 S C -1.041 173.241 174.600 -0.529 0.000 1.083 312 S CA -0.712 57.254 58.200 -0.391 0.000 1.025 312 S CB 1.759 64.847 63.200 -0.187 0.000 1.056 312 S HN 0.550 nan 8.310 nan 0.000 0.494 313 L N 1.331 122.256 121.223 -0.496 0.000 2.431 313 L HA 0.559 4.900 4.340 0.001 0.000 0.266 313 L C -0.617 175.948 176.870 -0.509 0.000 0.978 313 L CA -0.759 53.670 54.840 -0.685 0.000 0.822 313 L CB 2.186 43.689 42.059 -0.927 0.000 1.310 313 L HN 0.663 nan 8.230 nan 0.000 0.409 314 Q N 1.326 120.803 119.800 -0.539 0.000 2.316 314 Q HA 0.482 4.823 4.340 0.001 0.000 0.264 314 Q C -1.753 174.012 176.000 -0.391 0.000 0.987 314 Q CA -0.521 55.089 55.803 -0.323 0.000 0.852 314 Q CB 2.450 31.058 28.738 -0.218 0.000 1.287 314 Q HN 0.428 nan 8.270 nan 0.000 0.448 315 W N 2.432 123.693 121.300 -0.065 0.000 2.689 315 W HA 0.622 5.282 4.660 0.001 0.000 0.340 315 W C -0.941 175.618 176.519 0.066 0.000 1.060 315 W CA -0.661 56.695 57.345 0.018 0.000 1.218 315 W CB 1.136 30.584 29.460 -0.019 0.000 1.410 315 W HN 0.378 nan 8.180 nan 0.000 0.528 316 L N 2.646 124.108 121.223 0.399 0.000 2.408 316 L HA 0.581 4.921 4.340 0.001 0.000 0.268 316 L C -0.161 176.910 176.870 0.336 0.000 0.986 316 L CA -1.135 53.898 54.840 0.321 0.000 0.820 316 L CB 1.410 43.641 42.059 0.287 0.000 1.303 316 L HN 0.410 nan 8.230 nan 0.000 0.411 317 R N 2.298 122.957 120.500 0.265 0.000 2.679 317 R HA 0.259 4.600 4.340 0.001 0.000 0.269 317 R C 0.963 177.330 176.300 0.113 0.000 1.076 317 R CA -0.241 55.959 56.100 0.166 0.000 1.160 317 R CB 0.616 30.995 30.300 0.132 0.000 1.054 317 R HN 0.646 nan 8.270 nan 0.000 0.507 318 R N 1.204 121.682 120.500 -0.036 0.000 2.105 318 R HA -0.081 4.260 4.340 0.001 0.000 0.239 318 R C 0.407 176.765 176.300 0.096 0.000 1.135 318 R CA 1.197 57.268 56.100 -0.048 0.000 0.967 318 R CB 0.144 30.369 30.300 -0.124 0.000 0.861 318 R HN 0.381 nan 8.270 nan 0.000 0.442 319 I N 2.891 123.502 120.570 0.069 0.000 2.278 319 I HA 0.002 4.172 4.170 0.001 0.000 0.296 319 I C 0.178 176.360 176.117 0.108 0.000 1.121 319 I CA 0.413 61.756 61.300 0.071 0.000 1.267 319 I CB 0.856 38.883 38.000 0.045 0.000 1.447 319 I HN 0.296 nan 8.210 nan 0.000 0.509 320 Q N 4.284 124.148 119.800 0.107 0.000 2.294 320 Q HA -0.078 4.263 4.340 0.001 0.000 0.222 320 Q C 0.566 176.649 176.000 0.138 0.000 0.903 320 Q CA 0.122 56.001 55.803 0.126 0.000 0.966 320 Q CB -0.388 28.388 28.738 0.063 0.000 1.091 320 Q HN 0.643 nan 8.270 nan 0.000 0.438 321 N N -0.983 117.801 118.700 0.140 0.000 2.187 321 N HA -0.021 4.720 4.740 0.001 0.000 0.212 321 N C -1.019 174.604 175.510 0.188 0.000 1.152 321 N CA -0.221 52.904 53.050 0.125 0.000 0.872 321 N CB 0.373 38.914 38.487 0.089 0.000 1.025 321 N HN 0.187 nan 8.380 nan 0.000 0.514 322 Y N 1.073 121.404 120.300 0.052 0.000 2.362 322 Y HA 0.546 5.097 4.550 0.001 0.000 0.326 322 Y C -1.296 174.645 175.900 0.067 0.000 1.083 322 Y CA -1.011 57.118 58.100 0.048 0.000 1.073 322 Y CB 1.374 39.854 38.460 0.033 0.000 1.211 322 Y HN 0.165 nan 8.280 nan 0.000 0.433 323 S N 4.074 119.672 115.700 -0.170 0.000 2.570 323 S HA 0.929 5.400 4.470 0.001 0.000 0.286 323 S C -1.861 172.640 174.600 -0.165 0.000 1.099 323 S CA -0.803 57.371 58.200 -0.043 0.000 0.913 323 S CB 2.042 65.247 63.200 0.008 0.000 1.085 323 S HN 0.455 nan 8.310 nan 0.000 0.480 324 V N 2.640 122.556 119.914 0.004 0.000 2.638 324 V HA 0.525 4.645 4.120 0.001 0.000 0.306 324 V C -0.536 175.597 176.094 0.064 0.000 1.052 324 V CA -0.632 61.673 62.300 0.008 0.000 0.885 324 V CB 1.808 33.670 31.823 0.064 0.000 0.999 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.752 123.361 119.600 0.015 0.000 2.180 325 M HA 0.546 5.026 4.480 0.001 0.000 0.350 325 M C -1.361 174.953 176.300 0.023 0.000 1.125 325 M CA -0.241 55.048 55.300 -0.018 0.000 1.031 325 M CB 1.178 33.729 32.600 -0.082 0.000 1.623 325 M HN 0.608 nan 8.290 nan 0.000 0.451 326 D N 5.155 125.558 120.400 0.005 0.000 2.256 326 D HA 0.525 5.166 4.640 0.001 0.000 0.246 326 D C -1.033 175.240 176.300 -0.046 0.000 1.042 326 D CA -0.073 53.932 54.000 0.008 0.000 0.841 326 D CB 1.785 42.617 40.800 0.053 0.000 1.223 326 D HN 0.603 nan 8.370 nan 0.000 0.470 327 I N 2.669 123.236 120.570 -0.005 0.000 2.382 327 I HA 0.304 4.475 4.170 0.001 0.000 0.286 327 I C -0.579 175.538 176.117 -0.001 0.000 1.002 327 I CA -0.607 60.684 61.300 -0.014 0.000 1.135 327 I CB 1.244 39.294 38.000 0.083 0.000 1.288 327 I HN 0.188 nan 8.210 nan 0.000 0.448 328 c N 3.913 122.501 118.600 -0.020 0.000 2.379 328 c HA 0.529 5.100 4.570 0.001 0.000 0.323 328 c C -0.371 173.864 174.090 0.242 0.000 1.262 328 c CA -0.803 55.584 56.329 0.096 0.000 1.581 328 c CB 1.071 43.639 42.510 0.098 0.000 2.221 328 c HN 0.579 nan 8.230 nan 0.000 0.497 329 D N 0.528 121.059 120.400 0.218 0.000 2.192 329 D HA 0.323 4.964 4.640 0.001 0.000 0.246 329 D C -0.609 175.656 176.300 -0.058 0.000 1.042 329 D CA -0.195 53.903 54.000 0.162 0.000 0.847 329 D CB 0.863 41.697 40.800 0.057 0.000 1.186 329 D HN 0.586 nan 8.370 nan 0.000 0.461 330 Y N 1.661 121.614 120.300 -0.578 0.000 2.359 330 Y HA 0.177 4.728 4.550 0.001 0.000 0.330 330 Y C -0.110 175.481 175.900 -0.514 0.000 1.143 330 Y CA 0.043 57.415 58.100 -1.213 0.000 1.318 330 Y CB 0.750 38.324 38.460 -1.477 0.000 1.234 330 Y HN 0.186 nan 8.280 nan 0.000 0.522 331 D N 5.781 125.465 120.400 -1.193 0.000 2.427 331 D HA 0.104 4.745 4.640 0.001 0.000 0.226 331 D C 0.115 175.823 176.300 -0.988 0.000 1.076 331 D CA -0.144 53.388 54.000 -0.782 0.000 0.849 331 D CB 0.958 41.474 40.800 -0.473 0.000 1.052 331 D HN 0.857 nan 8.370 nan 0.000 0.515 332 E N 1.224 121.072 120.200 -0.587 0.000 2.333 332 E HA -0.091 4.260 4.350 0.001 0.000 0.198 332 E C 1.426 177.916 176.600 -0.183 0.000 1.007 332 E CA 0.600 56.831 56.400 -0.282 0.000 0.845 332 E CB 0.412 30.102 29.700 -0.016 0.000 0.766 332 E HN 0.350 nan 8.360 nan 0.000 0.507 333 S N 0.484 116.065 115.700 -0.198 0.000 2.348 333 S HA -0.106 4.365 4.470 0.001 0.000 0.219 333 S C 2.162 176.694 174.600 -0.113 0.000 1.033 333 S CA 1.271 59.400 58.200 -0.118 0.000 0.974 333 S CB 0.019 63.159 63.200 -0.101 0.000 0.868 333 S HN 0.336 nan 8.310 nan 0.000 0.459 334 S N 0.110 115.712 115.700 -0.163 0.000 2.503 334 S HA 0.386 4.856 4.470 0.001 0.000 0.215 334 S C 1.475 176.006 174.600 -0.116 0.000 1.003 334 S CA 0.639 58.770 58.200 -0.115 0.000 0.910 334 S CB 0.106 63.243 63.200 -0.106 0.000 0.790 334 S HN 0.811 nan 8.310 nan 0.000 0.514 335 G N 1.867 110.520 108.800 -0.246 0.000 2.160 335 G HA2 -0.214 3.747 3.960 0.001 0.000 0.251 335 G HA3 -0.214 3.747 3.960 0.001 0.000 0.251 335 G C 0.040 174.885 174.900 -0.093 0.000 1.008 335 G CA 0.120 45.135 45.100 -0.141 0.000 0.724 335 G HN 0.518 nan 8.290 nan 0.000 0.514 336 R N -1.587 118.755 120.500 -0.263 0.000 2.782 336 R HA 0.688 5.029 4.340 0.001 0.000 0.258 336 R C -0.722 175.397 176.300 -0.302 0.000 1.055 336 R CA -1.224 54.808 56.100 -0.113 0.000 1.065 336 R CB 0.530 30.805 30.300 -0.041 0.000 1.172 336 R HN 0.184 nan 8.270 nan 0.000 0.510 337 W N 0.566 121.856 121.300 -0.016 0.000 2.417 337 W HA 0.426 5.087 4.660 0.001 0.000 0.315 337 W C -0.155 176.339 176.519 -0.042 0.000 1.045 337 W CA -0.362 56.971 57.345 -0.021 0.000 1.221 337 W CB 0.865 30.316 29.460 -0.015 0.000 1.309 337 W HN 0.370 nan 8.180 nan 0.000 0.453 338 N N 2.244 121.001 118.700 0.096 0.000 2.399 338 N HA 0.523 5.263 4.740 0.001 0.000 0.295 338 N C -1.361 174.188 175.510 0.064 0.000 1.048 338 N CA -0.698 52.380 53.050 0.048 0.000 0.886 338 N CB 1.198 39.677 38.487 -0.015 0.000 1.185 338 N HN 0.207 nan 8.380 nan 0.000 0.487 339 c N 3.139 121.762 118.600 0.039 0.000 2.317 339 c HA 0.327 4.897 4.570 0.001 0.000 0.306 339 c C 0.450 174.542 174.090 0.003 0.000 1.087 339 c CA -1.067 55.277 56.329 0.026 0.000 1.529 339 c CB -1.382 41.137 42.510 0.015 0.000 1.880 339 c HN 0.641 nan 8.230 nan 0.000 0.417 340 L N 2.203 123.429 121.223 0.006 0.000 2.601 340 L HA -0.025 4.316 4.340 0.001 0.000 0.277 340 L C 1.753 178.611 176.870 -0.020 0.000 1.219 340 L CA 0.342 55.178 54.840 -0.007 0.000 0.915 340 L CB 0.423 42.482 42.059 0.001 0.000 1.160 340 L HN 0.620 nan 8.230 nan 0.000 0.494 341 V N 4.643 124.538 119.914 -0.031 0.000 2.392 341 V HA -0.316 3.804 4.120 0.001 0.000 0.249 341 V C 2.304 178.362 176.094 -0.060 0.000 1.059 341 V CA 2.315 64.588 62.300 -0.045 0.000 1.051 341 V CB -0.121 31.676 31.823 -0.042 0.000 0.658 341 V HN 1.014 nan 8.190 nan 0.000 0.455 342 A N -0.296 122.495 122.820 -0.048 0.000 2.125 342 A HA -0.129 4.192 4.320 0.001 0.000 0.219 342 A C 2.141 179.676 177.584 -0.081 0.000 1.156 342 A CA 1.464 53.467 52.037 -0.056 0.000 0.671 342 A CB -0.464 18.518 19.000 -0.030 0.000 0.794 342 A HN 0.650 nan 8.150 nan 0.000 0.459 343 R N -0.559 119.905 120.500 -0.061 0.000 2.388 343 R HA 0.159 4.500 4.340 0.001 0.000 0.247 343 R C 0.074 176.288 176.300 -0.144 0.000 0.931 343 R CA -0.164 55.913 56.100 -0.038 0.000 1.082 343 R CB 0.180 30.518 30.300 0.064 0.000 1.135 343 R HN 0.588 nan 8.270 nan 0.000 0.525 344 Q N 0.529 120.196 119.800 -0.221 0.000 2.340 344 Q HA 0.128 4.469 4.340 0.001 0.000 0.249 344 Q C -0.645 175.067 176.000 -0.480 0.000 0.957 344 Q CA 0.197 55.874 55.803 -0.210 0.000 0.882 344 Q CB 0.949 29.618 28.738 -0.115 0.000 1.235 344 Q HN 0.224 nan 8.270 nan 0.000 0.439 345 H N 2.537 121.601 119.070 -0.009 0.000 2.823 345 H HA 0.365 4.922 4.556 0.001 0.000 0.332 345 H C -0.728 174.564 175.328 -0.060 0.000 0.980 345 H CA -0.392 55.648 56.048 -0.013 0.000 1.286 345 H CB 0.869 30.609 29.762 -0.036 0.000 1.541 345 H HN 0.517 nan 8.280 nan 0.000 0.521 346 I N 2.018 122.591 120.570 0.006 0.000 2.428 346 I HA 0.187 4.357 4.170 0.001 0.000 0.296 346 I C 0.340 176.400 176.117 -0.095 0.000 0.985 346 I CA -0.138 61.083 61.300 -0.133 0.000 1.260 346 I CB 1.484 39.376 38.000 -0.179 0.000 1.389 346 I HN 0.475 nan 8.210 nan 0.000 0.484 347 E N 7.630 127.713 120.200 -0.194 0.000 2.265 347 E HA 0.515 4.866 4.350 0.001 0.000 0.262 347 E C -1.280 175.223 176.600 -0.162 0.000 0.889 347 E CA -0.649 55.693 56.400 -0.098 0.000 0.789 347 E CB 1.440 31.117 29.700 -0.037 0.000 1.221 347 E HN 0.600 nan 8.360 nan 0.000 0.414 348 M N 1.134 120.680 119.600 -0.089 0.000 2.691 348 M HA 0.689 5.170 4.480 0.001 0.000 0.293 348 M C -0.989 175.315 176.300 0.007 0.000 1.259 348 M CA -0.956 54.323 55.300 -0.035 0.000 0.827 348 M CB 2.300 34.916 32.600 0.026 0.000 1.753 348 M HN 0.236 nan 8.290 nan 0.000 0.465 349 S N -0.662 115.050 115.700 0.020 0.000 2.547 349 S HA 0.559 5.030 4.470 0.001 0.000 0.281 349 S C 0.155 174.751 174.600 -0.008 0.000 1.118 349 S CA -0.033 58.162 58.200 -0.009 0.000 0.947 349 S CB 1.790 64.955 63.200 -0.058 0.000 1.053 349 S HN 0.913 nan 8.310 nan 0.000 0.482 350 T N -0.143 114.405 114.554 -0.011 0.000 3.014 350 T HA 0.079 4.430 4.350 0.001 0.000 0.250 350 T C 1.470 176.151 174.700 -0.031 0.000 1.060 350 T CA 0.865 62.960 62.100 -0.009 0.000 1.040 350 T CB -0.310 68.560 68.868 0.003 0.000 0.971 350 T HN 0.673 nan 8.240 nan 0.000 0.497 351 T N -2.015 112.509 114.554 -0.050 0.000 3.015 351 T HA 0.604 4.954 4.350 0.001 0.000 0.250 351 T C 1.167 175.686 174.700 -0.301 0.000 1.057 351 T CA 0.391 62.458 62.100 -0.056 0.000 1.066 351 T CB 0.420 69.341 68.868 0.089 0.000 0.959 351 T HN 0.580 nan 8.240 nan 0.000 0.488 352 G N 0.344 108.785 108.800 -0.599 0.000 2.791 352 G HA2 0.493 4.454 3.960 0.001 0.000 0.158 352 G HA3 0.493 4.454 3.960 0.001 0.000 0.158 352 G C -1.538 173.098 174.900 -0.439 0.000 1.193 352 G CA -0.539 43.992 45.100 -0.948 0.000 1.032 352 G HN 0.486 nan 8.290 nan 0.000 0.557 353 W N -0.267 120.781 121.300 -0.421 0.000 2.365 353 W HA 0.771 5.431 4.660 0.001 0.000 0.410 353 W C -0.471 176.006 176.519 -0.070 0.000 1.634 353 W CA -1.271 55.959 57.345 -0.192 0.000 1.761 353 W CB 0.559 29.879 29.460 -0.233 0.000 1.485 353 W HN 0.267 nan 8.180 nan 0.000 0.706 354 V N 2.672 122.669 119.914 0.138 0.000 2.394 354 V HA 0.710 4.831 4.120 0.001 0.000 0.282 354 V C 0.731 176.895 176.094 0.118 0.000 1.031 354 V CA 0.278 62.613 62.300 0.057 0.000 0.881 354 V CB 0.015 31.875 31.823 0.060 0.000 0.982 354 V HN 1.287 nan 8.190 nan 0.000 0.451 355 G N 5.200 114.021 108.800 0.036 0.000 2.796 355 G HA2 -0.193 3.767 3.960 0.001 0.000 0.571 355 G HA3 -0.193 3.767 3.960 0.001 0.000 0.571 355 G C 0.342 175.314 174.900 0.119 0.000 1.370 355 G CA 0.268 45.414 45.100 0.076 0.000 0.856 355 G HN 0.639 nan 8.290 nan 0.000 0.538 356 R N -1.095 119.476 120.500 0.117 0.000 2.057 356 R HA 0.190 4.530 4.340 0.001 0.000 0.229 356 R C 2.000 178.268 176.300 -0.054 0.000 1.136 356 R CA 2.087 58.209 56.100 0.038 0.000 0.952 356 R CB -0.084 30.240 30.300 0.040 0.000 0.848 356 R HN 0.456 nan 8.270 nan 0.000 0.430 357 F N -0.876 119.217 119.950 0.239 0.000 2.834 357 F HA 0.267 4.795 4.527 0.001 0.000 0.332 357 F C 0.240 176.069 175.800 0.048 0.000 1.056 357 F CA -0.440 57.645 58.000 0.141 0.000 1.178 357 F CB 0.796 39.874 39.000 0.131 0.000 1.037 357 F HN -0.108 nan 8.300 nan 0.000 0.580 358 R N -1.262 119.370 120.500 0.221 0.000 2.753 358 R HA 0.395 4.736 4.340 0.001 0.000 0.272 358 R C -3.352 173.002 176.300 0.090 0.000 1.034 358 R CA -1.828 54.330 56.100 0.097 0.000 0.869 358 R CB 0.150 30.450 30.300 0.000 0.000 1.264 358 R HN -0.355 nan 8.270 nan 0.000 0.481 359 P HA -0.049 nan 4.420 nan 0.000 0.263 359 P C -0.280 177.037 177.300 0.029 0.000 1.175 359 P CA 0.273 63.390 63.100 0.028 0.000 0.761 359 P CB 0.630 32.324 31.700 -0.010 0.000 0.794 360 S N 1.947 117.676 115.700 0.048 0.000 2.584 360 S HA 0.141 4.612 4.470 0.001 0.000 0.270 360 S C 0.209 174.823 174.600 0.024 0.000 1.346 360 S CA -0.731 57.512 58.200 0.072 0.000 1.018 360 S CB 0.441 63.706 63.200 0.108 0.000 0.899 360 S HN 0.540 nan 8.310 nan 0.000 0.542 361 E N 1.313 121.542 120.200 0.049 0.000 2.313 361 E HA 0.378 4.729 4.350 0.001 0.000 0.272 361 E C -2.785 173.785 176.600 -0.051 0.000 1.038 361 E CA -2.183 54.196 56.400 -0.035 0.000 0.863 361 E CB 0.477 30.161 29.700 -0.028 0.000 1.060 361 E HN 0.446 nan 8.360 nan 0.000 0.402 362 P HA 0.230 nan 4.420 nan 0.000 0.281 362 P C -0.783 176.329 177.300 -0.312 0.000 1.249 362 P CA -0.355 62.554 63.100 -0.318 0.000 0.810 362 P CB 0.817 31.938 31.700 -0.964 0.000 1.008 363 H N 2.140 121.182 119.070 -0.048 0.000 2.718 363 H HA 0.287 4.844 4.556 0.001 0.000 0.295 363 H C -0.225 175.189 175.328 0.144 0.000 1.051 363 H CA -0.326 55.790 56.048 0.113 0.000 1.260 363 H CB 0.217 30.090 29.762 0.185 0.000 1.403 363 H HN 0.314 nan 8.280 nan 0.000 0.488 364 F N 1.743 121.853 119.950 0.266 0.000 2.382 364 F HA 0.060 4.588 4.527 0.001 0.000 0.331 364 F C 1.664 177.647 175.800 0.306 0.000 1.121 364 F CA -0.374 57.803 58.000 0.294 0.000 1.183 364 F CB 0.953 40.059 39.000 0.176 0.000 1.207 364 F HN 0.364 nan 8.300 nan 0.000 0.555 365 T N 0.214 115.072 114.554 0.507 0.000 2.754 365 T HA 0.147 4.498 4.350 0.001 0.000 0.286 365 T C 1.081 175.968 174.700 0.312 0.000 0.997 365 T CA -0.795 61.534 62.100 0.382 0.000 0.982 365 T CB 0.736 69.817 68.868 0.356 0.000 1.027 365 T HN 0.575 nan 8.240 nan 0.000 0.529 366 L N 1.260 122.622 121.223 0.232 0.000 2.021 366 L HA -0.123 4.218 4.340 0.001 0.000 0.215 366 L C 1.984 178.960 176.870 0.177 0.000 1.074 366 L CA 2.603 57.554 54.840 0.184 0.000 0.760 366 L CB -1.173 40.972 42.059 0.143 0.000 0.889 366 L HN 0.938 nan 8.230 nan 0.000 0.433 367 D N -1.436 119.071 120.400 0.178 0.000 2.363 367 D HA 0.102 4.742 4.640 0.001 0.000 0.226 367 D C 1.639 178.045 176.300 0.177 0.000 1.020 367 D CA 0.737 54.832 54.000 0.158 0.000 0.892 367 D CB -0.561 40.323 40.800 0.140 0.000 0.900 367 D HN 0.482 nan 8.370 nan 0.000 0.531 368 G N 0.541 109.485 108.800 0.239 0.000 2.166 368 G HA2 -0.375 3.585 3.960 0.001 0.000 0.260 368 G HA3 -0.375 3.585 3.960 0.001 0.000 0.260 368 G C 0.963 176.055 174.900 0.319 0.000 0.986 368 G CA 0.462 45.719 45.100 0.262 0.000 0.683 368 G HN 0.369 nan 8.290 nan 0.000 0.527 369 N N 0.155 119.021 118.700 0.277 0.000 2.422 369 N HA 0.157 4.898 4.740 0.001 0.000 0.181 369 N C 1.073 176.720 175.510 0.227 0.000 1.080 369 N CA 1.214 54.400 53.050 0.227 0.000 0.893 369 N CB 0.337 38.915 38.487 0.152 0.000 0.973 369 N HN 0.941 nan 8.380 nan 0.000 0.456 370 S N -0.568 115.304 115.700 0.287 0.000 2.625 370 S HA 0.764 5.234 4.470 0.001 0.000 0.271 370 S C -1.004 173.719 174.600 0.205 0.000 1.161 370 S CA -1.007 57.247 58.200 0.089 0.000 0.820 370 S CB 1.792 64.947 63.200 -0.075 0.000 1.137 370 S HN 0.126 nan 8.310 nan 0.000 0.470 371 F N -2.036 117.790 119.950 -0.207 0.000 2.713 371 F HA 0.803 5.331 4.527 0.001 0.000 0.311 371 F C -2.248 173.380 175.800 -0.288 0.000 1.141 371 F CA -1.539 56.275 58.000 -0.309 0.000 0.939 371 F CB 0.516 38.958 39.000 -0.929 0.000 1.325 371 F HN 0.608 nan 8.300 nan 0.000 0.453 372 Y N 1.200 121.670 120.300 0.283 0.000 2.387 372 Y HA 0.707 5.258 4.550 0.001 0.000 0.336 372 Y C -0.157 175.918 175.900 0.292 0.000 1.067 372 Y CA -0.846 57.392 58.100 0.231 0.000 1.114 372 Y CB 2.069 40.598 38.460 0.115 0.000 1.208 372 Y HN 0.714 nan 8.280 nan 0.000 0.458 373 K N 2.864 123.494 120.400 0.383 0.000 2.543 373 K HA 0.492 4.813 4.320 0.001 0.000 0.255 373 K C -1.723 175.015 176.600 0.229 0.000 0.934 373 K CA -0.572 55.900 56.287 0.308 0.000 0.810 373 K CB 1.614 34.280 32.500 0.276 0.000 1.315 373 K HN 0.715 nan 8.250 nan 0.000 0.433 374 I N 6.353 127.028 120.570 0.174 0.000 2.396 374 I HA 0.253 4.423 4.170 0.001 0.000 0.289 374 I C 0.204 176.406 176.117 0.142 0.000 1.056 374 I CA -0.230 61.149 61.300 0.132 0.000 1.365 374 I CB 0.334 38.393 38.000 0.099 0.000 1.407 374 I HN 0.468 nan 8.210 nan 0.000 0.509 375 I N 1.965 122.643 120.570 0.180 0.000 2.994 375 I HA 0.458 4.629 4.170 0.001 0.000 0.306 375 I C -0.331 175.904 176.117 0.196 0.000 1.195 375 I CA -0.799 60.607 61.300 0.176 0.000 1.001 375 I CB 2.156 40.276 38.000 0.200 0.000 1.244 375 I HN 0.327 nan 8.210 nan 0.000 0.437 376 S N 3.053 118.805 115.700 0.088 0.000 2.510 376 S HA 0.202 4.673 4.470 0.001 0.000 0.279 376 S C 0.012 174.650 174.600 0.064 0.000 1.284 376 S CA -0.445 57.754 58.200 -0.002 0.000 1.059 376 S CB -0.352 62.790 63.200 -0.097 0.000 0.901 376 S HN 0.825 nan 8.310 nan 0.000 0.491 377 N N 4.050 122.693 118.700 -0.094 0.000 2.418 377 N HA 0.205 4.945 4.740 0.001 0.000 0.283 377 N C 0.725 176.126 175.510 -0.182 0.000 1.267 377 N CA -0.434 52.418 53.050 -0.330 0.000 0.975 377 N CB -0.008 37.888 38.487 -0.985 0.000 1.167 377 N HN 0.497 nan 8.380 nan 0.000 0.581 378 E N -0.568 119.514 120.200 -0.197 0.000 2.265 378 E HA -0.127 4.224 4.350 0.001 0.000 0.196 378 E C 0.465 177.008 176.600 -0.095 0.000 0.996 378 E CA 0.899 57.235 56.400 -0.107 0.000 0.832 378 E CB -0.018 29.626 29.700 -0.093 0.000 0.756 378 E HN 0.583 nan 8.360 nan 0.000 0.491 379 E N -0.560 119.580 120.200 -0.099 0.000 2.474 379 E HA 0.061 4.411 4.350 0.001 0.000 0.194 379 E C 1.103 177.696 176.600 -0.012 0.000 1.041 379 E CA 0.525 56.921 56.400 -0.006 0.000 0.874 379 E CB 0.607 30.338 29.700 0.052 0.000 0.914 379 E HN 0.349 nan 8.360 nan 0.000 0.498 380 G N 0.891 109.622 108.800 -0.114 0.000 2.141 380 G HA2 -0.276 3.684 3.960 0.001 0.000 0.242 380 G HA3 -0.276 3.684 3.960 0.001 0.000 0.242 380 G C -0.272 174.364 174.900 -0.440 0.000 0.982 380 G CA 0.003 44.935 45.100 -0.279 0.000 0.662 380 G HN 0.191 nan 8.290 nan 0.000 0.527 381 Y N 0.279 120.444 120.300 -0.226 0.000 2.360 381 Y HA 0.643 5.194 4.550 0.001 0.000 0.337 381 Y C 1.133 176.841 175.900 -0.320 0.000 1.039 381 Y CA -0.929 57.010 58.100 -0.268 0.000 1.109 381 Y CB 1.058 39.381 38.460 -0.228 0.000 1.201 381 Y HN 0.086 nan 8.280 nan 0.000 0.458 382 R N 3.804 124.133 120.500 -0.285 0.000 2.296 382 R HA 0.247 4.588 4.340 0.001 0.000 0.323 382 R C -0.738 175.249 176.300 -0.522 0.000 1.067 382 R CA 0.049 55.997 56.100 -0.254 0.000 0.946 382 R CB 0.060 30.269 30.300 -0.152 0.000 0.991 382 R HN 0.657 nan 8.270 nan 0.000 0.448 383 H N 1.751 120.797 119.070 -0.039 0.000 2.949 383 H HA 0.336 4.893 4.556 0.001 0.000 0.356 383 H C -0.116 175.271 175.328 0.099 0.000 1.212 383 H CA -0.946 55.059 56.048 -0.073 0.000 1.136 383 H CB 1.566 31.191 29.762 -0.229 0.000 1.869 383 H HN 0.315 nan 8.280 nan 0.000 0.556 384 I N 1.245 121.889 120.570 0.124 0.000 2.416 384 I HA 0.051 4.222 4.170 0.001 0.000 0.288 384 I C 0.399 176.525 176.117 0.016 0.000 1.051 384 I CA 0.121 61.449 61.300 0.047 0.000 1.375 384 I CB 0.415 38.357 38.000 -0.097 0.000 1.407 384 I HN 0.157 nan 8.210 nan 0.000 0.516 385 c N 7.119 125.644 118.600 -0.125 0.000 2.493 385 c HA 0.465 5.036 4.570 0.001 0.000 0.326 385 c C -0.500 173.412 174.090 -0.298 0.000 1.200 385 c CA -0.477 55.525 56.329 -0.545 0.000 1.739 385 c CB 1.144 42.984 42.510 -1.117 0.000 2.300 385 c HN 0.640 nan 8.230 nan 0.000 0.500 386 Y N 4.196 124.143 120.300 -0.587 0.000 2.335 386 Y HA 0.675 5.226 4.550 0.001 0.000 0.339 386 Y C -1.075 174.378 175.900 -0.745 0.000 0.987 386 Y CA -1.141 56.582 58.100 -0.629 0.000 1.140 386 Y CB 0.338 38.534 38.460 -0.441 0.000 1.173 386 Y HN 0.630 nan 8.280 nan 0.000 0.486 387 F N 3.681 122.941 119.950 -1.150 0.000 2.522 387 F HA 0.468 4.996 4.527 0.001 0.000 0.324 387 F C -0.171 174.880 175.800 -1.248 0.000 1.077 387 F CA -1.013 56.222 58.000 -1.274 0.000 0.944 387 F CB 1.669 39.536 39.000 -1.887 0.000 1.175 387 F HN 0.276 nan 8.300 nan 0.000 0.468 388 Q N 2.108 121.565 119.800 -0.571 0.000 2.271 388 Q HA 0.347 4.688 4.340 0.001 0.000 0.258 388 Q C 0.928 176.892 176.000 -0.060 0.000 0.936 388 Q CA -0.302 55.304 55.803 -0.329 0.000 0.909 388 Q CB 1.562 30.164 28.738 -0.228 0.000 1.253 388 Q HN 0.710 nan 8.270 nan 0.000 0.440 389 I N -0.807 119.830 120.570 0.113 0.000 2.567 389 I HA -0.124 4.047 4.170 0.001 0.000 0.257 389 I C 0.286 176.619 176.117 0.360 0.000 1.184 389 I CA 1.381 62.903 61.300 0.369 0.000 1.451 389 I CB 0.011 38.232 38.000 0.368 0.000 1.089 389 I HN 0.405 nan 8.210 nan 0.000 0.441 390 D N 0.243 120.747 120.400 0.173 0.000 2.593 390 D HA 0.276 4.917 4.640 0.001 0.000 0.241 390 D C -0.221 176.108 176.300 0.048 0.000 1.257 390 D CA -0.320 53.732 54.000 0.086 0.000 0.828 390 D CB 0.249 41.079 40.800 0.050 0.000 1.049 390 D HN 0.181 nan 8.370 nan 0.000 0.490 391 K N 0.287 120.747 120.400 0.101 0.000 2.427 391 K HA 0.356 4.676 4.320 0.001 0.000 0.252 391 K C 0.824 177.502 176.600 0.130 0.000 0.931 391 K CA -0.693 55.623 56.287 0.048 0.000 0.793 391 K CB 2.188 34.672 32.500 -0.027 0.000 1.211 391 K HN -0.362 nan 8.250 nan 0.000 0.426 392 K N 0.506 120.933 120.400 0.044 0.000 2.062 392 K HA 0.033 4.353 4.320 0.001 0.000 0.205 392 K C -0.312 176.322 176.600 0.056 0.000 1.051 392 K CA 1.132 57.461 56.287 0.071 0.000 0.941 392 K CB 0.074 32.579 32.500 0.008 0.000 0.719 392 K HN 0.604 nan 8.250 nan 0.000 0.440 393 D N 1.363 121.734 120.400 -0.048 0.000 2.351 393 D HA 0.050 4.691 4.640 0.001 0.000 0.251 393 D C 0.422 176.529 176.300 -0.321 0.000 1.137 393 D CA -0.147 53.762 54.000 -0.152 0.000 0.879 393 D CB 0.883 41.608 40.800 -0.125 0.000 1.181 393 D HN 0.210 nan 8.370 nan 0.000 0.448 394 c N 0.569 118.822 118.600 -0.579 0.000 2.401 394 c HA 0.824 5.395 4.570 0.001 0.000 0.356 394 c C 0.172 173.856 174.090 -0.677 0.000 1.192 394 c CA -0.603 55.140 56.329 -0.976 0.000 2.028 394 c CB 1.212 42.428 42.510 -2.156 0.000 2.344 394 c HN 0.475 nan 8.230 nan 0.000 0.525 395 T N 1.780 115.985 114.554 -0.582 0.000 2.792 395 T HA 0.496 4.847 4.350 0.001 0.000 0.280 395 T C -0.795 173.690 174.700 -0.358 0.000 0.990 395 T CA 0.115 62.027 62.100 -0.313 0.000 0.960 395 T CB 0.556 69.383 68.868 -0.067 0.000 0.939 395 T HN 0.495 nan 8.240 nan 0.000 0.439 396 F N 3.335 123.165 119.950 -0.200 0.000 2.467 396 F HA 0.275 4.803 4.527 0.001 0.000 0.362 396 F C 1.669 177.293 175.800 -0.294 0.000 1.090 396 F CA -0.835 57.029 58.000 -0.227 0.000 1.202 396 F CB 0.464 39.333 39.000 -0.219 0.000 1.113 396 F HN 0.577 nan 8.300 nan 0.000 0.541 397 I N -0.432 119.990 120.570 -0.246 0.000 3.783 397 I HA 0.190 4.361 4.170 0.001 0.000 0.310 397 I C 0.223 176.140 176.117 -0.332 0.000 1.274 397 I CA 0.190 61.114 61.300 -0.625 0.000 1.294 397 I CB -0.086 37.268 38.000 -1.077 0.000 1.051 397 I HN 0.491 nan 8.210 nan 0.000 0.435 398 T N 0.318 114.747 114.554 -0.207 0.000 2.906 398 T HA 0.724 5.075 4.350 0.001 0.000 0.295 398 T C -0.672 173.681 174.700 -0.577 0.000 1.075 398 T CA -0.730 61.241 62.100 -0.215 0.000 1.005 398 T CB 2.631 71.439 68.868 -0.100 0.000 1.136 398 T HN 0.500 nan 8.240 nan 0.000 0.498 399 K N -0.399 119.504 120.400 -0.829 0.000 2.607 399 K HA 0.785 5.106 4.320 0.001 0.000 0.287 399 K C -0.480 175.457 176.600 -1.106 0.000 0.996 399 K CA -0.933 54.548 56.287 -1.345 0.000 0.876 399 K CB 1.297 33.379 32.500 -0.697 0.000 1.496 399 K HN 1.580 nan 8.250 nan 0.000 0.415 400 G N -0.067 108.100 108.800 -1.054 0.000 2.340 400 G HA2 0.082 4.043 3.960 0.001 0.000 0.527 400 G HA3 0.082 4.043 3.960 0.001 0.000 0.527 400 G C -0.683 173.661 174.900 -0.927 0.000 1.381 400 G CA -0.406 44.246 45.100 -0.747 0.000 1.001 400 G HN 1.067 nan 8.290 nan 0.000 0.626 401 T N -0.365 113.803 114.554 -0.644 0.000 4.058 401 T HA 0.551 4.901 4.350 0.001 0.000 0.252 401 T C 0.280 174.822 174.700 -0.263 0.000 1.264 401 T CA 0.632 62.191 62.100 -0.901 0.000 1.094 401 T CB -0.979 67.601 68.868 -0.480 0.000 1.316 401 T HN 1.517 nan 8.240 nan 0.000 0.872 402 W N -0.351 120.826 121.300 -0.205 0.000 2.895 402 W HA 0.644 5.305 4.660 0.001 0.000 0.377 402 W C -1.510 175.030 176.519 0.035 0.000 1.191 402 W CA -0.996 56.363 57.345 0.023 0.000 1.179 402 W CB 0.663 30.114 29.460 -0.015 0.000 1.469 402 W HN 0.189 nan 8.180 nan 0.000 0.577 403 E N 0.747 121.176 120.200 0.382 0.000 2.340 403 E HA 0.443 4.794 4.350 0.001 0.000 0.273 403 E C -1.221 175.532 176.600 0.255 0.000 0.891 403 E CA -1.131 55.289 56.400 0.034 0.000 0.757 403 E CB 3.408 33.125 29.700 0.029 0.000 1.231 403 E HN 0.160 nan 8.360 nan 0.000 0.439 404 V N 3.675 123.614 119.914 0.042 0.000 2.530 404 V HA 0.023 4.144 4.120 0.001 0.000 0.282 404 V C 1.179 177.361 176.094 0.146 0.000 1.048 404 V CA -0.022 62.374 62.300 0.161 0.000 0.997 404 V CB 0.659 32.462 31.823 -0.033 0.000 0.987 404 V HN 0.686 nan 8.190 nan 0.000 0.477 405 I N 2.978 123.658 120.570 0.184 0.000 2.400 405 I HA 0.265 4.435 4.170 0.001 0.000 0.248 405 I C 1.101 177.320 176.117 0.170 0.000 1.109 405 I CA 1.197 62.594 61.300 0.162 0.000 1.425 405 I CB -0.767 37.267 38.000 0.056 0.000 1.094 405 I HN 0.746 nan 8.210 nan 0.000 0.425 406 G N 0.634 109.534 108.800 0.166 0.000 2.632 406 G HA2 0.555 4.516 3.960 0.001 0.000 0.292 406 G HA3 0.555 4.516 3.960 0.001 0.000 0.292 406 G C -1.334 173.641 174.900 0.126 0.000 1.465 406 G CA -0.539 44.653 45.100 0.152 0.000 0.824 406 G HN -0.043 nan 8.290 nan 0.000 0.509 407 I N 1.415 121.988 120.570 0.006 0.000 2.342 407 I HA 0.265 4.436 4.170 0.001 0.000 0.291 407 I C 0.744 176.794 176.117 -0.111 0.000 1.010 407 I CA -0.533 60.666 61.300 -0.169 0.000 1.308 407 I CB 1.775 39.373 38.000 -0.670 0.000 1.400 407 I HN 0.509 nan 8.210 nan 0.000 0.488 408 E N 4.834 125.021 120.200 -0.020 0.000 2.290 408 E HA 0.337 4.688 4.350 0.001 0.000 0.197 408 E C 0.100 176.622 176.600 -0.130 0.000 0.948 408 E CA 0.239 56.659 56.400 0.033 0.000 0.895 408 E CB 0.798 30.592 29.700 0.157 0.000 0.865 408 E HN 0.662 nan 8.360 nan 0.000 0.486 409 A N 0.610 123.253 122.820 -0.296 0.000 2.612 409 A HA 0.618 4.938 4.320 0.001 0.000 0.293 409 A C -1.979 175.517 177.584 -0.146 0.000 1.075 409 A CA -0.622 51.178 52.037 -0.396 0.000 0.680 409 A CB 1.369 19.616 19.000 -1.255 0.000 1.279 409 A HN 0.039 nan 8.150 nan 0.000 0.411 410 L N 1.255 122.444 121.223 -0.057 0.000 2.470 410 L HA 0.824 5.165 4.340 0.001 0.000 0.268 410 L C 0.042 176.941 176.870 0.049 0.000 0.964 410 L CA 0.497 55.342 54.840 0.008 0.000 0.839 410 L CB 2.106 44.199 42.059 0.056 0.000 1.276 410 L HN 1.239 nan 8.230 nan 0.000 0.403 411 T N -0.363 114.235 114.554 0.072 0.000 2.888 411 T HA 0.423 4.774 4.350 0.001 0.000 0.288 411 T C 0.982 175.715 174.700 0.056 0.000 1.063 411 T CA 0.053 62.205 62.100 0.087 0.000 1.010 411 T CB 1.279 70.233 68.868 0.143 0.000 1.214 411 T HN 0.671 nan 8.240 nan 0.000 0.533 412 S N -0.314 115.419 115.700 0.054 0.000 2.442 412 S HA -0.098 4.373 4.470 0.001 0.000 0.236 412 S C 0.940 175.515 174.600 -0.042 0.000 1.007 412 S CA 1.109 59.326 58.200 0.029 0.000 0.965 412 S CB -0.549 62.673 63.200 0.038 0.000 0.773 412 S HN 0.714 nan 8.310 nan 0.000 0.504 413 D N -0.567 119.790 120.400 -0.071 0.000 2.324 413 D HA 0.246 4.887 4.640 0.001 0.000 0.212 413 D C -0.360 175.623 176.300 -0.529 0.000 0.984 413 D CA 0.662 54.495 54.000 -0.278 0.000 0.885 413 D CB 0.252 40.892 40.800 -0.266 0.000 0.996 413 D HN 0.453 nan 8.370 nan 0.000 0.505 414 Y N -0.335 119.892 120.300 -0.122 0.000 2.581 414 Y HA 0.482 5.033 4.550 0.001 0.000 0.345 414 Y C -0.591 175.116 175.900 -0.322 0.000 1.036 414 Y CA -1.050 56.885 58.100 -0.275 0.000 1.042 414 Y CB 2.507 40.674 38.460 -0.489 0.000 1.289 414 Y HN -0.292 nan 8.280 nan 0.000 0.471 415 L N 2.487 123.579 121.223 -0.219 0.000 2.356 415 L HA 0.597 4.938 4.340 0.001 0.000 0.277 415 L C -1.874 174.853 176.870 -0.237 0.000 0.996 415 L CA -0.599 54.095 54.840 -0.244 0.000 0.822 415 L CB 0.861 42.680 42.059 -0.400 0.000 1.256 415 L HN 0.607 nan 8.230 nan 0.000 0.413 416 Y N 4.841 125.039 120.300 -0.170 0.000 2.342 416 Y HA 0.562 5.113 4.550 0.001 0.000 0.334 416 Y C -0.364 175.508 175.900 -0.047 0.000 1.067 416 Y CA -0.244 57.741 58.100 -0.192 0.000 1.128 416 Y CB 1.310 39.509 38.460 -0.436 0.000 1.200 416 Y HN 0.548 nan 8.280 nan 0.000 0.464 417 Y N -0.246 120.088 120.300 0.057 0.000 2.638 417 Y HA 0.781 5.331 4.550 0.001 0.000 0.335 417 Y C -1.904 174.062 175.900 0.111 0.000 1.155 417 Y CA -1.989 56.142 58.100 0.052 0.000 1.046 417 Y CB 1.027 39.495 38.460 0.014 0.000 1.303 417 Y HN 0.428 nan 8.280 nan 0.000 0.460 418 I N 2.945 123.667 120.570 0.253 0.000 2.441 418 I HA 0.664 4.835 4.170 0.001 0.000 0.295 418 I C -0.401 175.891 176.117 0.292 0.000 0.994 418 I CA -0.436 60.961 61.300 0.161 0.000 1.144 418 I CB 1.980 40.025 38.000 0.075 0.000 1.314 418 I HN 0.870 nan 8.210 nan 0.000 0.445 419 S N 3.089 118.929 115.700 0.234 0.000 2.638 419 S HA 0.428 4.899 4.470 0.001 0.000 0.274 419 S C -0.581 174.065 174.600 0.077 0.000 1.157 419 S CA -0.898 57.427 58.200 0.209 0.000 0.826 419 S CB 1.674 65.003 63.200 0.214 0.000 1.139 419 S HN 0.630 nan 8.310 nan 0.000 0.474 420 N N -0.348 118.393 118.700 0.069 0.000 2.380 420 N HA 0.140 4.881 4.740 0.001 0.000 0.255 420 N C 0.534 176.021 175.510 -0.039 0.000 1.158 420 N CA -0.243 52.809 53.050 0.004 0.000 0.878 420 N CB 0.275 38.758 38.487 -0.008 0.000 1.138 420 N HN 0.841 nan 8.380 nan 0.000 0.509 421 E N -0.059 119.978 120.200 -0.270 0.000 2.072 421 E HA -0.204 4.147 4.350 0.001 0.000 0.191 421 E C -0.302 176.158 176.600 -0.233 0.000 0.985 421 E CA 0.239 56.253 56.400 -0.644 0.000 0.801 421 E CB -0.116 28.562 29.700 -1.704 0.000 0.750 421 E HN 0.383 nan 8.360 nan 0.000 0.452 422 Y N 2.162 122.371 120.300 -0.152 0.000 2.881 422 Y HA -0.156 4.395 4.550 0.001 0.000 0.335 422 Y C 0.369 176.230 175.900 -0.064 0.000 1.263 422 Y CA 1.019 59.078 58.100 -0.068 0.000 1.572 422 Y CB 0.060 38.505 38.460 -0.025 0.000 1.237 422 Y HN 0.114 nan 8.280 nan 0.000 0.568 423 K N 3.363 123.469 120.400 -0.491 0.000 3.104 423 K HA -0.259 4.062 4.320 0.001 0.000 0.285 423 K C 0.877 177.394 176.600 -0.138 0.000 1.136 423 K CA 0.820 56.880 56.287 -0.378 0.000 0.842 423 K CB -1.767 30.454 32.500 -0.464 0.000 1.217 423 K HN 1.266 nan 8.250 nan 0.000 0.467 424 G N 0.637 109.378 108.800 -0.098 0.000 2.258 424 G HA2 -0.335 3.626 3.960 0.001 0.000 0.274 424 G HA3 -0.335 3.626 3.960 0.001 0.000 0.274 424 G C 0.033 174.904 174.900 -0.048 0.000 1.021 424 G CA 0.862 45.950 45.100 -0.021 0.000 0.798 424 G HN 0.352 nan 8.290 nan 0.000 0.507 425 M N 0.929 120.436 119.600 -0.155 0.000 2.069 425 M HA 0.216 4.697 4.480 0.001 0.000 0.349 425 M C -0.776 175.289 176.300 -0.391 0.000 1.194 425 M CA -1.964 53.085 55.300 -0.418 0.000 1.081 425 M CB 1.471 33.883 32.600 -0.314 0.000 1.500 425 M HN -0.050 nan 8.290 nan 0.000 0.438 426 P HA -0.104 nan 4.420 nan 0.000 0.222 426 P C 0.987 178.156 177.300 -0.219 0.000 1.147 426 P CA 1.270 64.210 63.100 -0.267 0.000 0.790 426 P CB 0.134 31.691 31.700 -0.239 0.000 0.780 427 G N -0.668 107.930 108.800 -0.337 0.000 3.233 427 G HA2 0.310 4.271 3.960 0.001 0.000 0.227 427 G HA3 0.310 4.271 3.960 0.001 0.000 0.227 427 G C 0.645 175.556 174.900 0.019 0.000 1.175 427 G CA 0.086 45.118 45.100 -0.113 0.000 0.781 427 G HN 0.438 nan 8.290 nan 0.000 0.542 428 G N -0.127 108.628 108.800 -0.075 0.000 2.441 428 G HA2 0.652 4.613 3.960 0.001 0.000 0.334 428 G HA3 0.652 4.613 3.960 0.001 0.000 0.334 428 G C -0.842 173.960 174.900 -0.164 0.000 1.161 428 G CA -0.773 44.318 45.100 -0.016 0.000 0.935 428 G HN 0.085 nan 8.290 nan 0.000 0.488 429 R N 1.208 121.568 120.500 -0.232 0.000 2.574 429 R HA 0.432 4.773 4.340 0.001 0.000 0.288 429 R C -1.235 175.018 176.300 -0.078 0.000 1.004 429 R CA -0.805 55.120 56.100 -0.291 0.000 0.895 429 R CB 2.198 32.074 30.300 -0.707 0.000 1.191 429 R HN 0.597 nan 8.270 nan 0.000 0.444 430 N N 1.484 120.149 118.700 -0.060 0.000 2.357 430 N HA 0.373 5.114 4.740 0.001 0.000 0.284 430 N C -1.306 174.040 175.510 -0.273 0.000 1.236 430 N CA -0.826 52.094 53.050 -0.216 0.000 0.774 430 N CB 2.679 40.923 38.487 -0.406 0.000 1.534 430 N HN 0.253 nan 8.380 nan 0.000 0.478 431 L N 1.850 122.766 121.223 -0.512 0.000 2.289 431 L HA 0.496 4.837 4.340 0.001 0.000 0.285 431 L C -1.462 175.002 176.870 -0.677 0.000 1.049 431 L CA -0.039 54.539 54.840 -0.437 0.000 0.804 431 L CB 0.064 41.877 42.059 -0.409 0.000 1.195 431 L HN 0.418 nan 8.230 nan 0.000 0.428 432 Y N 3.285 123.214 120.300 -0.619 0.000 2.570 432 Y HA 0.635 5.186 4.550 0.001 0.000 0.345 432 Y C -0.528 174.972 175.900 -0.666 0.000 1.014 432 Y CA -0.922 56.758 58.100 -0.700 0.000 1.063 432 Y CB 1.747 39.616 38.460 -0.985 0.000 1.272 432 Y HN 0.545 nan 8.280 nan 0.000 0.477 433 K N 1.847 122.045 120.400 -0.336 0.000 2.422 433 K HA 0.795 5.116 4.320 0.001 0.000 0.251 433 K C -1.884 174.650 176.600 -0.111 0.000 0.933 433 K CA -0.757 55.257 56.287 -0.455 0.000 0.798 433 K CB 2.957 34.915 32.500 -0.903 0.000 1.238 433 K HN 0.756 nan 8.250 nan 0.000 0.428 434 I N 1.765 122.356 120.570 0.035 0.000 2.498 434 I HA 0.160 4.331 4.170 0.001 0.000 0.290 434 I C -0.828 175.385 176.117 0.160 0.000 1.032 434 I CA -0.816 60.580 61.300 0.161 0.000 1.073 434 I CB 2.171 40.283 38.000 0.188 0.000 1.251 434 I HN 0.835 nan 8.210 nan 0.000 0.426 435 Q N 6.155 126.033 119.800 0.130 0.000 2.262 435 Q HA 0.159 4.500 4.340 0.001 0.000 0.272 435 Q C 0.491 176.432 176.000 -0.098 0.000 1.076 435 Q CA -0.061 55.635 55.803 -0.179 0.000 0.905 435 Q CB 0.996 29.658 28.738 -0.127 0.000 1.182 435 Q HN 0.800 nan 8.270 nan 0.000 0.390 436 L N 2.397 123.505 121.223 -0.192 0.000 2.191 436 L HA -0.196 4.144 4.340 0.001 0.000 0.212 436 L C 2.232 179.013 176.870 -0.148 0.000 1.103 436 L CA 1.354 56.163 54.840 -0.052 0.000 0.769 436 L CB -0.414 41.576 42.059 -0.114 0.000 0.908 436 L HN 0.661 nan 8.230 nan 0.000 0.438 437 S N -2.322 113.249 115.700 -0.214 0.000 2.527 437 S HA -0.056 4.415 4.470 0.001 0.000 0.222 437 S C 0.526 174.957 174.600 -0.282 0.000 0.985 437 S CA 0.224 58.285 58.200 -0.231 0.000 0.921 437 S CB 0.029 63.124 63.200 -0.176 0.000 0.772 437 S HN 0.396 nan 8.310 nan 0.000 0.529 438 D N -0.194 120.053 120.400 -0.255 0.000 2.351 438 D HA 0.207 4.847 4.640 0.001 0.000 0.235 438 D C -0.433 175.832 176.300 -0.058 0.000 1.331 438 D CA -0.611 53.264 54.000 -0.209 0.000 0.959 438 D CB 0.016 40.749 40.800 -0.113 0.000 1.432 438 D HN -0.025 nan 8.370 nan 0.000 0.544 439 Y N 0.961 121.242 120.300 -0.031 0.000 2.556 439 Y HA -0.100 4.451 4.550 0.001 0.000 0.290 439 Y C 2.541 178.446 175.900 0.008 0.000 1.149 439 Y CA 1.451 59.544 58.100 -0.012 0.000 1.329 439 Y CB -1.032 37.422 38.460 -0.011 0.000 0.975 439 Y HN 0.440 nan 8.280 nan 0.000 0.561 440 T N -2.933 111.695 114.554 0.123 0.000 3.085 440 T HA -0.012 4.338 4.350 0.001 0.000 0.263 440 T C 0.710 175.458 174.700 0.081 0.000 1.127 440 T CA 0.180 62.332 62.100 0.086 0.000 1.103 440 T CB -0.078 68.816 68.868 0.043 0.000 0.921 440 T HN -0.062 nan 8.240 nan 0.000 0.510 441 K N 2.497 122.948 120.400 0.085 0.000 2.231 441 K HA 0.472 4.792 4.320 0.001 0.000 0.255 441 K C -1.098 175.572 176.600 0.117 0.000 1.108 441 K CA -0.249 56.089 56.287 0.085 0.000 0.997 441 K CB 1.206 33.747 32.500 0.069 0.000 1.549 441 K HN 0.182 nan 8.250 nan 0.000 0.419 442 V N 2.386 122.367 119.914 0.111 0.000 2.417 442 V HA 0.292 4.413 4.120 0.001 0.000 0.291 442 V C 0.003 176.153 176.094 0.094 0.000 1.024 442 V CA -0.594 61.782 62.300 0.126 0.000 0.861 442 V CB 1.870 33.783 31.823 0.149 0.000 0.985 442 V HN 0.534 nan 8.190 nan 0.000 0.436 443 T N 3.570 118.151 114.554 0.044 0.000 2.786 443 T HA 0.249 4.600 4.350 0.001 0.000 0.283 443 T C -0.345 174.276 174.700 -0.131 0.000 0.992 443 T CA -0.278 61.800 62.100 -0.037 0.000 0.954 443 T CB 1.190 69.997 68.868 -0.102 0.000 0.934 443 T HN 0.766 nan 8.240 nan 0.000 0.440 444 C N 4.945 124.109 119.300 -0.226 0.000 2.514 444 C HA 0.426 4.887 4.460 0.001 0.000 0.392 444 C C 1.585 176.252 174.990 -0.539 0.000 1.294 444 C CA -0.504 58.099 59.018 -0.691 0.000 1.957 444 C CB -1.598 25.643 27.740 -0.831 0.000 2.541 444 C HN 0.996 nan 8.230 nan 0.000 0.569 445 L N 4.588 125.450 121.223 -0.602 0.000 2.554 445 L HA 0.121 4.461 4.340 0.001 0.000 0.225 445 L C 2.057 178.623 176.870 -0.507 0.000 1.104 445 L CA 0.715 55.293 54.840 -0.436 0.000 0.866 445 L CB -0.165 41.678 42.059 -0.359 0.000 1.047 445 L HN 0.879 nan 8.230 nan 0.000 0.468 446 S N -3.215 112.060 115.700 -0.708 0.000 2.589 446 S HA 0.000 4.471 4.470 0.001 0.000 0.235 446 S C 1.773 175.969 174.600 -0.674 0.000 1.051 446 S CA -0.138 57.548 58.200 -0.856 0.000 0.978 446 S CB -0.303 61.974 63.200 -1.539 0.000 0.929 446 S HN 0.279 nan 8.310 nan 0.000 0.523 447 C N 2.120 120.992 119.300 -0.712 0.000 2.398 447 C HA -0.002 4.459 4.460 0.001 0.000 0.276 447 C C 2.430 177.127 174.990 -0.488 0.000 1.222 447 C CA 1.455 59.980 59.018 -0.821 0.000 1.746 447 C CB -1.076 25.915 27.740 -1.249 0.000 2.039 447 C HN 0.608 nan 8.230 nan 0.000 0.470 448 E N -0.015 119.988 120.200 -0.328 0.000 2.463 448 E HA 0.191 4.542 4.350 0.001 0.000 0.193 448 E C 1.812 178.362 176.600 -0.083 0.000 1.041 448 E CA -0.072 56.240 56.400 -0.147 0.000 0.879 448 E CB -0.247 29.389 29.700 -0.106 0.000 0.997 448 E HN 0.557 nan 8.360 nan 0.000 0.478 449 L N 0.222 121.391 121.223 -0.090 0.000 2.042 449 L HA -0.085 4.255 4.340 0.001 0.000 0.210 449 L C 0.885 177.767 176.870 0.020 0.000 1.076 449 L CA 0.934 55.764 54.840 -0.018 0.000 0.749 449 L CB 0.003 42.074 42.059 0.020 0.000 0.893 449 L HN 0.129 nan 8.230 nan 0.000 0.432 450 N N -1.636 117.089 118.700 0.041 0.000 3.304 450 N HA 0.044 4.785 4.740 0.001 0.000 0.187 450 N C -2.138 173.398 175.510 0.043 0.000 1.482 450 N CA -0.688 52.382 53.050 0.033 0.000 0.785 450 N CB 0.643 39.145 38.487 0.024 0.000 1.619 450 N HN -0.199 nan 8.380 nan 0.000 0.624 451 P HA -0.150 nan 4.420 nan 0.000 0.217 451 P C 0.721 178.063 177.300 0.071 0.000 1.148 451 P CA 1.294 64.446 63.100 0.087 0.000 0.828 451 P CB 0.672 32.444 31.700 0.120 0.000 0.783 452 E N -0.398 119.827 120.200 0.041 0.000 2.072 452 E HA -0.114 4.237 4.350 0.001 0.000 0.190 452 E C 2.430 179.033 176.600 0.004 0.000 0.982 452 E CA 0.634 57.050 56.400 0.025 0.000 0.803 452 E CB -0.198 29.510 29.700 0.013 0.000 0.755 452 E HN 0.194 nan 8.360 nan 0.000 0.453 453 R N -0.168 120.323 120.500 -0.014 0.000 2.189 453 R HA 0.088 4.428 4.340 0.001 0.000 0.203 453 R C -0.183 176.069 176.300 -0.081 0.000 1.012 453 R CA 0.463 56.532 56.100 -0.052 0.000 1.015 453 R CB 0.460 30.719 30.300 -0.069 0.000 0.938 453 R HN 0.080 nan 8.270 nan 0.000 0.472 454 c N 0.907 119.468 118.600 -0.066 0.000 2.344 454 c HA 0.416 4.987 4.570 0.001 0.000 0.326 454 c C 0.053 174.118 174.090 -0.041 0.000 1.201 454 c CA -0.668 55.561 56.329 -0.167 0.000 1.410 454 c CB 1.367 43.717 42.510 -0.266 0.000 2.070 454 c HN 0.517 nan 8.230 nan 0.000 0.445 455 Q N 0.445 120.219 119.800 -0.043 0.000 2.113 455 Q HA 0.203 4.544 4.340 0.001 0.000 0.225 455 Q C -0.964 175.110 176.000 0.123 0.000 0.786 455 Q CA 0.111 55.969 55.803 0.093 0.000 0.989 455 Q CB 1.307 30.111 28.738 0.110 0.000 1.174 455 Q HN 0.798 nan 8.270 nan 0.000 0.470 456 Y N 0.384 120.590 120.300 -0.155 0.000 2.373 456 Y HA 0.374 4.925 4.550 0.001 0.000 0.327 456 Y C -1.632 174.147 175.900 -0.201 0.000 1.036 456 Y CA -1.011 57.026 58.100 -0.104 0.000 1.265 456 Y CB 0.759 39.160 38.460 -0.097 0.000 1.108 456 Y HN -0.083 nan 8.280 nan 0.000 0.471 457 Y N 2.013 122.262 120.300 -0.086 0.000 2.528 457 Y HA 0.689 5.240 4.550 0.001 0.000 0.335 457 Y C 0.220 176.074 175.900 -0.076 0.000 1.093 457 Y CA -0.664 57.392 58.100 -0.073 0.000 1.134 457 Y CB 2.395 40.776 38.460 -0.132 0.000 1.253 457 Y HN 0.440 nan 8.280 nan 0.000 0.478 458 S N 0.656 116.459 115.700 0.171 0.000 2.599 458 S HA 0.831 5.301 4.470 0.001 0.000 0.287 458 S C -1.903 172.772 174.600 0.124 0.000 1.105 458 S CA -0.583 57.693 58.200 0.125 0.000 0.899 458 S CB 1.615 64.895 63.200 0.134 0.000 1.100 458 S HN 0.537 nan 8.310 nan 0.000 0.482 459 V N 1.677 121.664 119.914 0.122 0.000 3.049 459 V HA 0.871 4.992 4.120 0.001 0.000 0.309 459 V C -1.156 175.031 176.094 0.156 0.000 1.148 459 V CA -0.305 62.049 62.300 0.091 0.000 0.990 459 V CB 2.363 34.186 31.823 -0.001 0.000 1.039 459 V HN 0.861 nan 8.190 nan 0.000 0.430 460 S N 4.470 120.252 115.700 0.137 0.000 2.779 460 S HA 0.677 5.148 4.470 0.001 0.000 0.293 460 S C -1.254 173.501 174.600 0.258 0.000 1.150 460 S CA -0.365 58.012 58.200 0.295 0.000 1.057 460 S CB 0.423 63.848 63.200 0.375 0.000 1.021 460 S HN 0.495 nan 8.310 nan 0.000 0.485 461 F N 3.129 123.138 119.950 0.097 0.000 2.379 461 F HA 0.449 4.977 4.527 0.001 0.000 0.332 461 F C 1.401 176.769 175.800 -0.719 0.000 1.096 461 F CA -0.263 57.620 58.000 -0.195 0.000 1.105 461 F CB 1.429 40.295 39.000 -0.223 0.000 1.189 461 F HN 0.625 nan 8.300 nan 0.000 0.515 462 S N 2.235 117.268 115.700 -1.112 0.000 2.617 462 S HA 0.149 4.620 4.470 0.001 0.000 0.259 462 S C 1.293 175.633 174.600 -0.433 0.000 1.301 462 S CA -0.814 56.524 58.200 -1.436 0.000 0.984 462 S CB 0.736 63.122 63.200 -1.357 0.000 0.954 462 S HN 0.547 nan 8.310 nan 0.000 0.572 463 K N 0.936 121.216 120.400 -0.201 0.000 2.097 463 K HA -0.145 4.175 4.320 0.001 0.000 0.214 463 K C 1.018 177.592 176.600 -0.045 0.000 1.052 463 K CA 1.773 58.036 56.287 -0.040 0.000 0.932 463 K CB -0.501 32.018 32.500 0.031 0.000 0.716 463 K HN 0.699 nan 8.250 nan 0.000 0.455 464 E N -1.000 119.147 120.200 -0.088 0.000 2.569 464 E HA 0.252 4.603 4.350 0.001 0.000 0.205 464 E C 0.115 176.662 176.600 -0.089 0.000 1.006 464 E CA 0.187 56.551 56.400 -0.060 0.000 0.985 464 E CB 0.578 30.251 29.700 -0.044 0.000 1.060 464 E HN 0.251 nan 8.360 nan 0.000 0.460 465 A N 1.210 123.962 122.820 -0.113 0.000 2.847 465 A HA -0.334 3.987 4.320 0.001 0.000 0.263 465 A C 1.560 179.094 177.584 -0.083 0.000 1.391 465 A CA 1.726 53.723 52.037 -0.067 0.000 0.866 465 A CB -2.059 16.810 19.000 -0.219 0.000 1.057 465 A HN 0.291 nan 8.150 nan 0.000 0.673 466 K N -1.835 118.442 120.400 -0.205 0.000 2.148 466 K HA 0.040 4.360 4.320 0.001 0.000 0.204 466 K C 0.116 176.350 176.600 -0.610 0.000 1.050 466 K CA 1.556 57.608 56.287 -0.391 0.000 0.942 466 K CB -0.040 32.173 32.500 -0.479 0.000 0.724 466 K HN 0.678 nan 8.250 nan 0.000 0.446 467 Y N -1.056 119.132 120.300 -0.185 0.000 2.576 467 Y HA 0.324 4.875 4.550 0.001 0.000 0.346 467 Y C -0.963 174.806 175.900 -0.218 0.000 1.018 467 Y CA -1.346 56.647 58.100 -0.178 0.000 1.050 467 Y CB 1.710 40.082 38.460 -0.147 0.000 1.280 467 Y HN -0.035 nan 8.280 nan 0.000 0.474 468 Y N -0.989 119.238 120.300 -0.121 0.000 2.513 468 Y HA 0.540 5.090 4.550 0.001 0.000 0.340 468 Y C -1.226 174.656 175.900 -0.030 0.000 1.055 468 Y CA -1.491 56.364 58.100 -0.408 0.000 1.020 468 Y CB 1.511 39.124 38.460 -1.411 0.000 1.301 468 Y HN 0.594 nan 8.280 nan 0.000 0.453 469 Q N 3.844 123.752 119.800 0.180 0.000 2.290 469 Q HA 0.552 4.892 4.340 0.001 0.000 0.259 469 Q C -1.804 174.275 176.000 0.132 0.000 0.941 469 Q CA -0.695 55.191 55.803 0.140 0.000 0.912 469 Q CB 1.351 30.147 28.738 0.097 0.000 1.244 469 Q HN 0.980 nan 8.270 nan 0.000 0.441 470 L N 4.245 125.562 121.223 0.157 0.000 2.289 470 L HA 0.524 4.864 4.340 0.001 0.000 0.285 470 L C -0.032 176.906 176.870 0.112 0.000 1.049 470 L CA -0.473 54.454 54.840 0.145 0.000 0.804 470 L CB 1.395 43.528 42.059 0.123 0.000 1.195 470 L HN 0.578 nan 8.230 nan 0.000 0.428 471 R N 3.743 124.282 120.500 0.064 0.000 2.358 471 R HA 0.294 4.634 4.340 0.001 0.000 0.309 471 R C -0.992 175.156 176.300 -0.253 0.000 1.026 471 R CA -0.503 55.454 56.100 -0.238 0.000 0.909 471 R CB 1.194 31.396 30.300 -0.163 0.000 1.153 471 R HN 0.741 nan 8.270 nan 0.000 0.515 472 c N 3.968 122.301 118.600 -0.445 0.000 2.415 472 c HA 0.386 4.957 4.570 0.001 0.000 0.369 472 c C 1.343 175.179 174.090 -0.422 0.000 1.279 472 c CA -0.167 55.765 56.329 -0.662 0.000 1.886 472 c CB 0.380 42.443 42.510 -0.747 0.000 2.468 472 c HN 0.909 nan 8.230 nan 0.000 0.553 473 S N 3.711 119.254 115.700 -0.261 0.000 2.650 473 S HA 0.606 5.077 4.470 0.001 0.000 0.240 473 S C 0.364 174.911 174.600 -0.089 0.000 1.007 473 S CA 0.213 58.328 58.200 -0.142 0.000 0.984 473 S CB 0.016 63.171 63.200 -0.075 0.000 0.910 473 S HN 1.918 nan 8.310 nan 0.000 0.509 474 G N 1.782 110.511 108.800 -0.118 0.000 2.325 474 G HA2 0.398 4.359 3.960 0.001 0.000 0.297 474 G HA3 0.398 4.359 3.960 0.001 0.000 0.297 474 G C -2.999 171.870 174.900 -0.051 0.000 1.448 474 G CA -0.533 44.541 45.100 -0.043 0.000 0.838 474 G HN -0.129 nan 8.290 nan 0.000 0.579 475 P HA 0.110 nan 4.420 nan 0.000 0.229 475 P C 1.280 178.611 177.300 0.051 0.000 1.160 475 P CA 1.361 64.485 63.100 0.041 0.000 0.777 475 P CB 0.378 32.099 31.700 0.036 0.000 0.814 476 G N 0.431 109.194 108.800 -0.061 0.000 2.535 476 G HA2 0.402 4.363 3.960 0.001 0.000 0.282 476 G HA3 0.402 4.363 3.960 0.001 0.000 0.282 476 G C -0.237 174.445 174.900 -0.363 0.000 1.350 476 G CA -0.751 44.240 45.100 -0.180 0.000 1.039 476 G HN 0.044 nan 8.290 nan 0.000 0.509 477 L N 1.081 121.997 121.223 -0.512 0.000 2.485 477 L HA 0.144 4.485 4.340 0.001 0.000 0.275 477 L C -1.860 174.846 176.870 -0.274 0.000 1.207 477 L CA -1.240 53.263 54.840 -0.562 0.000 0.855 477 L CB 0.492 42.291 42.059 -0.432 0.000 1.114 477 L HN 0.237 nan 8.230 nan 0.000 0.485 478 P HA -0.034 nan 4.420 nan 0.000 0.263 478 P C -0.912 176.326 177.300 -0.104 0.000 1.175 478 P CA 0.156 63.179 63.100 -0.129 0.000 0.761 478 P CB 0.456 32.178 31.700 0.037 0.000 0.794 479 L N 5.546 126.621 121.223 -0.246 0.000 2.406 479 L HA 0.473 4.814 4.340 0.001 0.000 0.272 479 L C -1.767 174.963 176.870 -0.233 0.000 0.980 479 L CA -0.724 54.037 54.840 -0.132 0.000 0.831 479 L CB 0.887 42.874 42.059 -0.119 0.000 1.253 479 L HN 0.213 nan 8.230 nan 0.000 0.406 480 Y N 2.859 123.116 120.300 -0.072 0.000 2.328 480 Y HA 0.748 5.299 4.550 0.001 0.000 0.337 480 Y C 0.536 176.333 175.900 -0.172 0.000 0.966 480 Y CA -0.556 57.486 58.100 -0.097 0.000 1.136 480 Y CB 2.001 40.383 38.460 -0.130 0.000 1.170 480 Y HN 0.681 nan 8.280 nan 0.000 0.470 481 T N 0.776 115.336 114.554 0.011 0.000 2.906 481 T HA 0.737 5.088 4.350 0.001 0.000 0.295 481 T C -1.469 173.140 174.700 -0.152 0.000 1.075 481 T CA -0.904 61.130 62.100 -0.111 0.000 1.005 481 T CB 2.072 70.915 68.868 -0.041 0.000 1.136 481 T HN 0.388 nan 8.240 nan 0.000 0.498 482 L N 1.505 122.509 121.223 -0.366 0.000 2.346 482 L HA 0.634 4.975 4.340 0.001 0.000 0.274 482 L C -0.834 175.684 176.870 -0.586 0.000 1.007 482 L CA -0.331 54.336 54.840 -0.288 0.000 0.818 482 L CB 1.325 43.258 42.059 -0.210 0.000 1.284 482 L HN 0.846 nan 8.230 nan 0.000 0.424 483 H N 1.327 120.151 119.070 -0.410 0.000 2.928 483 H HA 0.598 5.154 4.556 0.001 0.000 0.371 483 H C -1.040 174.046 175.328 -0.403 0.000 1.186 483 H CA -0.870 54.842 56.048 -0.559 0.000 1.134 483 H CB 2.090 31.155 29.762 -1.161 0.000 1.824 483 H HN 0.586 nan 8.280 nan 0.000 0.554 484 S N 0.159 115.793 115.700 -0.111 0.000 2.472 484 S HA 0.252 4.722 4.470 0.001 0.000 0.303 484 S C 0.598 175.171 174.600 -0.045 0.000 1.099 484 S CA -0.724 57.421 58.200 -0.093 0.000 1.077 484 S CB 2.002 65.174 63.200 -0.046 0.000 1.031 484 S HN 0.568 nan 8.310 nan 0.000 0.487 485 S N 1.829 117.513 115.700 -0.027 0.000 2.371 485 S HA -0.105 4.366 4.470 0.001 0.000 0.224 485 S C 1.966 176.604 174.600 0.063 0.000 1.029 485 S CA 0.935 59.215 58.200 0.134 0.000 0.978 485 S CB -0.529 62.734 63.200 0.104 0.000 0.833 485 S HN 0.680 nan 8.310 nan 0.000 0.466 486 V N 2.658 122.565 119.914 -0.012 0.000 2.317 486 V HA -0.197 3.923 4.120 0.001 0.000 0.251 486 V C 0.851 176.959 176.094 0.024 0.000 1.065 486 V CA 1.923 64.230 62.300 0.012 0.000 1.049 486 V CB -0.303 31.512 31.823 -0.013 0.000 0.651 486 V HN 0.473 nan 8.190 nan 0.000 0.450 487 N N -0.843 117.867 118.700 0.016 0.000 2.240 487 N HA 0.131 4.872 4.740 0.001 0.000 0.240 487 N C -0.381 175.142 175.510 0.022 0.000 1.277 487 N CA 0.394 53.454 53.050 0.016 0.000 0.873 487 N CB 0.447 38.942 38.487 0.014 0.000 1.222 487 N HN 0.488 nan 8.380 nan 0.000 0.507 488 D N 1.164 121.595 120.400 0.052 0.000 2.686 488 D HA -0.178 4.463 4.640 0.001 0.000 0.235 488 D C -0.190 176.146 176.300 0.060 0.000 1.160 488 D CA 1.092 55.148 54.000 0.094 0.000 0.645 488 D CB -0.729 40.115 40.800 0.073 0.000 1.039 488 D HN 0.369 nan 8.370 nan 0.000 0.423 489 K N 0.048 120.463 120.400 0.025 0.000 2.185 489 K HA 0.390 4.711 4.320 0.001 0.000 0.271 489 K C 1.047 177.630 176.600 -0.030 0.000 1.013 489 K CA -0.194 56.095 56.287 0.003 0.000 0.943 489 K CB 1.082 33.577 32.500 -0.009 0.000 0.998 489 K HN 0.131 nan 8.250 nan 0.000 0.468 490 G N 3.093 111.854 108.800 -0.064 0.000 2.546 490 G HA2 0.203 4.164 3.960 0.001 0.000 0.320 490 G HA3 0.203 4.164 3.960 0.001 0.000 0.320 490 G C 0.886 175.645 174.900 -0.236 0.000 0.984 490 G CA -0.402 44.552 45.100 -0.244 0.000 1.183 490 G HN 0.532 nan 8.290 nan 0.000 0.443 491 L N 1.511 122.567 121.223 -0.278 0.000 1.988 491 L HA 0.153 4.494 4.340 0.001 0.000 0.207 491 L C 1.750 178.521 176.870 -0.166 0.000 1.071 491 L CA 1.197 55.937 54.840 -0.167 0.000 0.744 491 L CB -0.299 41.682 42.059 -0.130 0.000 0.893 491 L HN 0.684 nan 8.230 nan 0.000 0.433 492 R N -1.892 118.469 120.500 -0.233 0.000 2.712 492 R HA 0.470 4.811 4.340 0.001 0.000 0.272 492 R C -1.683 174.479 176.300 -0.231 0.000 1.032 492 R CA -0.894 55.093 56.100 -0.188 0.000 0.874 492 R CB 1.537 31.757 30.300 -0.133 0.000 1.256 492 R HN -0.252 nan 8.270 nan 0.000 0.468 493 V N 3.097 122.903 119.914 -0.180 0.000 2.406 493 V HA 0.186 4.307 4.120 0.001 0.000 0.272 493 V C 1.292 177.240 176.094 -0.244 0.000 1.043 493 V CA -0.428 61.764 62.300 -0.179 0.000 0.915 493 V CB 1.148 32.904 31.823 -0.112 0.000 0.988 493 V HN 0.652 nan 8.190 nan 0.000 0.466 494 L N 2.727 123.729 121.223 -0.370 0.000 2.162 494 L HA 0.270 4.611 4.340 0.001 0.000 0.205 494 L C 0.725 177.302 176.870 -0.488 0.000 1.086 494 L CA 0.737 55.152 54.840 -0.709 0.000 0.778 494 L CB 0.174 41.415 42.059 -1.364 0.000 0.928 494 L HN 0.688 nan 8.230 nan 0.000 0.446 495 E N -0.093 119.974 120.200 -0.222 0.000 2.406 495 E HA 0.079 4.430 4.350 0.001 0.000 0.297 495 E C -1.204 175.435 176.600 0.066 0.000 0.917 495 E CA -0.342 56.034 56.400 -0.039 0.000 0.795 495 E CB 1.032 30.719 29.700 -0.022 0.000 1.285 495 E HN 0.161 nan 8.360 nan 0.000 0.400 496 D N 3.032 123.451 120.400 0.032 0.000 2.433 496 D HA 0.156 4.796 4.640 0.001 0.000 0.211 496 D C -0.211 176.099 176.300 0.017 0.000 1.114 496 D CA -0.225 53.788 54.000 0.022 0.000 0.837 496 D CB 0.003 40.795 40.800 -0.012 0.000 0.984 496 D HN 0.443 nan 8.370 nan 0.000 0.505 497 N N 0.361 119.085 118.700 0.041 0.000 2.714 497 N HA -0.227 4.514 4.740 0.001 0.000 0.250 497 N C 0.973 176.486 175.510 0.004 0.000 1.117 497 N CA 0.964 54.032 53.050 0.029 0.000 0.719 497 N CB -1.378 37.118 38.487 0.015 0.000 1.081 497 N HN 0.500 nan 8.380 nan 0.000 0.557 498 S N -1.189 114.514 115.700 0.006 0.000 2.419 498 S HA -0.036 4.435 4.470 0.001 0.000 0.233 498 S C 2.096 176.706 174.600 0.016 0.000 1.016 498 S CA 0.970 59.170 58.200 0.000 0.000 0.974 498 S CB -0.111 63.090 63.200 0.001 0.000 0.786 498 S HN 0.509 nan 8.310 nan 0.000 0.492 499 A N 2.102 124.941 122.820 0.032 0.000 1.877 499 A HA 0.041 4.362 4.320 0.001 0.000 0.216 499 A C 2.232 179.854 177.584 0.064 0.000 1.186 499 A CA 1.650 53.716 52.037 0.048 0.000 0.620 499 A CB -0.947 18.086 19.000 0.055 0.000 0.822 499 A HN 0.523 nan 8.150 nan 0.000 0.443 500 L N 0.400 121.663 121.223 0.066 0.000 2.083 500 L HA -0.138 4.203 4.340 0.001 0.000 0.209 500 L C 1.905 178.800 176.870 0.042 0.000 1.083 500 L CA 2.773 57.667 54.840 0.090 0.000 0.752 500 L CB -0.799 41.312 42.059 0.085 0.000 0.899 500 L HN 0.527 nan 8.230 nan 0.000 0.433 501 D N -0.618 119.779 120.400 -0.005 0.000 2.123 501 D HA -0.280 4.361 4.640 0.001 0.000 0.196 501 D C 2.263 178.561 176.300 -0.002 0.000 0.992 501 D CA 1.637 55.617 54.000 -0.034 0.000 0.833 501 D CB -0.110 40.661 40.800 -0.048 0.000 0.954 501 D HN 0.362 nan 8.370 nan 0.000 0.455 502 K N -0.461 119.951 120.400 0.021 0.000 2.026 502 K HA -0.160 4.161 4.320 0.001 0.000 0.208 502 K C 2.223 178.857 176.600 0.058 0.000 1.048 502 K CA 1.173 57.481 56.287 0.034 0.000 0.929 502 K CB -0.137 32.386 32.500 0.039 0.000 0.713 502 K HN 0.232 nan 8.250 nan 0.000 0.439 503 M N 0.749 120.406 119.600 0.094 0.000 2.117 503 M HA -0.149 4.332 4.480 0.001 0.000 0.262 503 M C 2.065 178.425 176.300 0.101 0.000 1.065 503 M CA 1.407 56.805 55.300 0.162 0.000 1.114 503 M CB -0.185 32.591 32.600 0.295 0.000 1.361 503 M HN 0.169 nan 8.290 nan 0.000 0.408 504 L N -0.264 120.962 121.223 0.005 0.000 2.450 504 L HA -0.196 4.144 4.340 0.001 0.000 0.224 504 L C 2.254 179.093 176.870 -0.051 0.000 1.149 504 L CA 0.804 55.579 54.840 -0.108 0.000 0.816 504 L CB -0.624 41.368 42.059 -0.113 0.000 0.932 504 L HN 0.435 nan 8.230 nan 0.000 0.449 505 Q N 0.027 119.823 119.800 -0.006 0.000 2.224 505 Q HA -0.112 4.229 4.340 0.001 0.000 0.203 505 Q C 1.140 177.153 176.000 0.022 0.000 0.970 505 Q CA 0.899 56.705 55.803 0.005 0.000 0.865 505 Q CB 0.036 28.784 28.738 0.015 0.000 0.922 505 Q HN 0.579 nan 8.270 nan 0.000 0.445 506 N N -0.007 118.717 118.700 0.040 0.000 2.314 506 N HA 0.061 4.802 4.740 0.001 0.000 0.200 506 N C -0.655 174.893 175.510 0.064 0.000 1.135 506 N CA 0.249 53.336 53.050 0.062 0.000 0.835 506 N CB 1.044 39.585 38.487 0.091 0.000 0.989 506 N HN -0.045 nan 8.380 nan 0.000 0.478 507 V N 0.857 120.785 119.914 0.023 0.000 2.735 507 V HA 0.215 4.336 4.120 0.001 0.000 0.310 507 V C -0.008 176.090 176.094 0.005 0.000 1.061 507 V CA -0.886 61.426 62.300 0.019 0.000 0.913 507 V CB 2.637 34.418 31.823 -0.069 0.000 1.005 507 V HN -0.008 nan 8.190 nan 0.000 0.428 508 Q N 3.880 123.697 119.800 0.028 0.000 2.553 508 Q HA 0.372 4.713 4.340 0.001 0.000 0.221 508 Q C -0.579 175.398 176.000 -0.039 0.000 1.219 508 Q CA -0.277 55.516 55.803 -0.016 0.000 0.955 508 Q CB 0.557 29.305 28.738 0.017 0.000 1.399 508 Q HN 0.515 nan 8.270 nan 0.000 0.551 509 M N 3.809 123.368 119.600 -0.069 0.000 2.235 509 M HA 0.330 4.811 4.480 0.001 0.000 0.351 509 M C -1.924 174.311 176.300 -0.107 0.000 1.178 509 M CA -2.397 52.852 55.300 -0.084 0.000 1.143 509 M CB 0.060 32.613 32.600 -0.078 0.000 1.530 509 M HN 0.309 nan 8.290 nan 0.000 0.461 510 P HA 0.237 nan 4.420 nan 0.000 0.274 510 P C -0.770 176.453 177.300 -0.127 0.000 1.256 510 P CA -0.319 62.701 63.100 -0.134 0.000 0.795 510 P CB 0.649 32.262 31.700 -0.146 0.000 1.038 511 S N -0.632 114.981 115.700 -0.145 0.000 2.704 511 S HA 0.633 5.104 4.470 0.001 0.000 0.305 511 S C -0.555 173.959 174.600 -0.143 0.000 1.107 511 S CA -0.797 57.328 58.200 -0.124 0.000 0.993 511 S CB 1.789 64.914 63.200 -0.126 0.000 1.110 511 S HN 0.527 nan 8.310 nan 0.000 0.534 512 K N 0.449 120.786 120.400 -0.105 0.000 2.426 512 K HA 0.430 4.750 4.320 0.001 0.000 0.254 512 K C -1.333 175.218 176.600 -0.082 0.000 0.936 512 K CA -0.532 55.698 56.287 -0.096 0.000 0.801 512 K CB 1.411 33.876 32.500 -0.060 0.000 1.139 512 K HN 0.722 nan 8.250 nan 0.000 0.424 513 K N 5.009 125.353 120.400 -0.093 0.000 2.274 513 K HA 0.349 4.670 4.320 0.001 0.000 0.262 513 K C -1.613 174.969 176.600 -0.030 0.000 0.961 513 K CA -0.849 55.395 56.287 -0.073 0.000 0.833 513 K CB 1.042 33.472 32.500 -0.117 0.000 1.102 513 K HN 0.472 nan 8.250 nan 0.000 0.436 514 L N 4.077 125.299 121.223 -0.001 0.000 2.325 514 L HA 0.540 4.881 4.340 0.001 0.000 0.281 514 L C -1.224 175.677 176.870 0.051 0.000 1.004 514 L CA 0.137 55.013 54.840 0.060 0.000 0.823 514 L CB 1.436 43.584 42.059 0.148 0.000 1.236 514 L HN 0.840 nan 8.230 nan 0.000 0.415 515 D N 2.721 122.993 120.400 -0.213 0.000 2.921 515 D HA 0.522 5.163 4.640 0.001 0.000 0.329 515 D C -1.582 174.340 176.300 -0.629 0.000 1.293 515 D CA 0.003 53.760 54.000 -0.405 0.000 0.964 515 D CB 1.681 42.173 40.800 -0.514 0.000 1.435 515 D HN 0.239 nan 8.370 nan 0.000 0.548 516 F N -0.259 119.286 119.950 -0.674 0.000 2.643 516 F HA 0.732 5.260 4.527 0.001 0.000 0.314 516 F C -0.949 174.885 175.800 0.057 0.000 1.096 516 F CA -1.070 56.659 58.000 -0.452 0.000 0.953 516 F CB 0.936 39.253 39.000 -1.137 0.000 1.345 516 F HN 0.286 nan 8.300 nan 0.000 0.468 517 I N 0.029 120.860 120.570 0.435 0.000 2.892 517 I HA 0.694 4.865 4.170 0.001 0.000 0.306 517 I C -1.423 174.945 176.117 0.419 0.000 1.078 517 I CA -1.207 60.286 61.300 0.321 0.000 1.032 517 I CB 2.472 40.628 38.000 0.260 0.000 1.229 517 I HN 0.645 nan 8.210 nan 0.000 0.435 518 I N 4.455 125.201 120.570 0.295 0.000 2.412 518 I HA 0.487 4.658 4.170 0.001 0.000 0.296 518 I C -0.792 175.474 176.117 0.247 0.000 0.987 518 I CA -0.704 60.764 61.300 0.280 0.000 1.180 518 I CB 1.895 40.016 38.000 0.202 0.000 1.340 518 I HN 0.387 nan 8.210 nan 0.000 0.455 519 L N 5.760 127.174 121.223 0.319 0.000 2.439 519 L HA 0.384 4.724 4.340 0.001 0.000 0.270 519 L C -0.463 176.541 176.870 0.222 0.000 0.972 519 L CA -0.775 54.212 54.840 0.246 0.000 0.836 519 L CB 1.629 43.844 42.059 0.260 0.000 1.255 519 L HN 0.589 nan 8.230 nan 0.000 0.404 520 N N 2.532 121.304 118.700 0.119 0.000 2.686 520 N HA -0.229 4.512 4.740 0.001 0.000 0.261 520 N C 0.280 175.838 175.510 0.079 0.000 1.001 520 N CA 1.174 54.274 53.050 0.083 0.000 0.764 520 N CB -0.578 37.949 38.487 0.067 0.000 0.898 520 N HN 0.759 nan 8.380 nan 0.000 0.544 521 E N -3.762 116.479 120.200 0.069 0.000 3.799 521 E HA -0.227 4.123 4.350 0.001 0.000 0.320 521 E C -0.329 176.283 176.600 0.021 0.000 0.760 521 E CA 1.969 58.394 56.400 0.042 0.000 1.153 521 E CB -1.369 28.345 29.700 0.023 0.000 1.589 521 E HN 0.598 nan 8.360 nan 0.000 0.448 522 T N 1.065 115.646 114.554 0.045 0.000 2.797 522 T HA 0.429 4.780 4.350 0.001 0.000 0.279 522 T C -0.080 174.525 174.700 -0.159 0.000 0.991 522 T CA -0.878 61.164 62.100 -0.097 0.000 0.979 522 T CB 1.218 69.992 68.868 -0.156 0.000 0.943 522 T HN 0.173 nan 8.240 nan 0.000 0.444 523 K N 2.488 122.709 120.400 -0.298 0.000 2.174 523 K HA 0.565 4.886 4.320 0.001 0.000 0.275 523 K C -1.330 174.993 176.600 -0.461 0.000 1.015 523 K CA -0.482 55.662 56.287 -0.239 0.000 0.933 523 K CB 0.784 32.979 32.500 -0.509 0.000 1.025 523 K HN 0.363 nan 8.250 nan 0.000 0.463 524 F N 1.290 121.324 119.950 0.140 0.000 2.529 524 F HA 0.350 4.877 4.527 0.001 0.000 0.320 524 F C -0.824 175.113 175.800 0.228 0.000 1.118 524 F CA -0.754 57.343 58.000 0.163 0.000 0.915 524 F CB 1.239 40.333 39.000 0.155 0.000 1.161 524 F HN 0.529 nan 8.300 nan 0.000 0.445 525 W N 3.309 124.775 121.300 0.278 0.000 2.375 525 W HA 0.541 5.202 4.660 0.001 0.000 0.336 525 W C -0.635 176.124 176.519 0.400 0.000 1.160 525 W CA -0.614 56.913 57.345 0.304 0.000 1.266 525 W CB 0.674 30.231 29.460 0.161 0.000 1.195 525 W HN 0.442 nan 8.180 nan 0.000 0.599 526 Y N -0.558 120.111 120.300 0.614 0.000 2.644 526 Y HA 0.699 5.250 4.550 0.001 0.000 0.338 526 Y C -1.012 175.127 175.900 0.399 0.000 1.119 526 Y CA -1.914 56.532 58.100 0.576 0.000 1.060 526 Y CB 1.154 40.090 38.460 0.794 0.000 1.294 526 Y HN 0.558 nan 8.280 nan 0.000 0.472 527 Q N 1.762 121.857 119.800 0.492 0.000 2.421 527 Q HA 0.753 5.094 4.340 0.001 0.000 0.280 527 Q C -1.822 174.324 176.000 0.244 0.000 1.085 527 Q CA -1.160 54.796 55.803 0.255 0.000 0.807 527 Q CB 3.349 32.185 28.738 0.163 0.000 1.405 527 Q HN 0.846 nan 8.270 nan 0.000 0.419 528 M N 2.305 121.965 119.600 0.099 0.000 2.327 528 M HA 0.452 4.932 4.480 0.001 0.000 0.298 528 M C -1.238 174.996 176.300 -0.110 0.000 1.065 528 M CA -0.962 54.319 55.300 -0.032 0.000 0.916 528 M CB 2.224 34.754 32.600 -0.117 0.000 1.630 528 M HN 0.602 nan 8.290 nan 0.000 0.442 529 I N 5.032 125.531 120.570 -0.118 0.000 2.301 529 I HA 0.352 4.523 4.170 0.001 0.000 0.292 529 I C -0.380 175.602 176.117 -0.226 0.000 1.046 529 I CA -0.254 60.955 61.300 -0.152 0.000 1.282 529 I CB 0.218 38.147 38.000 -0.119 0.000 1.409 529 I HN 0.627 nan 8.210 nan 0.000 0.484 530 L N 8.364 129.405 121.223 -0.303 0.000 2.325 530 L HA 0.464 4.805 4.340 0.001 0.000 0.279 530 L C -2.183 174.526 176.870 -0.267 0.000 1.054 530 L CA -1.780 52.802 54.840 -0.428 0.000 0.804 530 L CB 1.091 42.714 42.059 -0.726 0.000 1.200 530 L HN 0.261 nan 8.230 nan 0.000 0.436 531 P HA 0.133 nan 4.420 nan 0.000 0.271 531 P C -2.487 174.778 177.300 -0.059 0.000 1.233 531 P CA -0.980 62.062 63.100 -0.095 0.000 0.789 531 P CB -0.074 31.610 31.700 -0.027 0.000 0.951 532 P HA -0.054 nan 4.420 nan 0.000 0.268 532 P C -0.219 177.012 177.300 -0.115 0.000 1.208 532 P CA 0.732 63.705 63.100 -0.212 0.000 0.777 532 P CB -0.208 31.341 31.700 -0.251 0.000 0.875 533 H N -1.178 117.924 119.070 0.054 0.000 2.655 533 H HA -0.221 4.336 4.556 0.001 0.000 0.313 533 H C 0.185 175.559 175.328 0.077 0.000 1.141 533 H CA 0.001 56.082 56.048 0.056 0.000 1.138 533 H CB -2.211 27.576 29.762 0.041 0.000 1.446 533 H HN 0.370 nan 8.280 nan 0.000 0.415 534 F N 2.353 122.290 119.950 -0.022 0.000 2.623 534 F HA 0.038 4.566 4.527 0.001 0.000 0.386 534 F C 0.666 176.481 175.800 0.025 0.000 1.068 534 F CA 0.202 58.145 58.000 -0.096 0.000 1.265 534 F CB 0.470 39.307 39.000 -0.272 0.000 1.026 534 F HN 0.166 nan 8.300 nan 0.000 0.568 535 D N 6.126 126.144 120.400 -0.637 0.000 2.454 535 D HA 0.132 4.773 4.640 0.001 0.000 0.247 535 D C 0.511 176.471 176.300 -0.566 0.000 1.129 535 D CA -0.575 53.183 54.000 -0.403 0.000 0.877 535 D CB 0.886 41.605 40.800 -0.135 0.000 1.082 535 D HN 0.664 nan 8.370 nan 0.000 0.537 536 K N 0.795 120.899 120.400 -0.494 0.000 2.589 536 K HA -0.112 4.209 4.320 0.001 0.000 0.195 536 K C 1.097 177.730 176.600 0.056 0.000 1.040 536 K CA 0.885 57.099 56.287 -0.122 0.000 0.950 536 K CB -0.157 32.423 32.500 0.133 0.000 0.781 536 K HN 0.194 nan 8.250 nan 0.000 0.486 537 S N -0.226 115.452 115.700 -0.037 0.000 2.556 537 S HA 0.144 4.615 4.470 0.001 0.000 0.216 537 S C 0.124 174.691 174.600 -0.055 0.000 0.970 537 S CA -0.628 57.561 58.200 -0.018 0.000 0.912 537 S CB 0.105 63.285 63.200 -0.033 0.000 0.790 537 S HN 0.186 nan 8.310 nan 0.000 0.504 538 K N 1.036 121.378 120.400 -0.097 0.000 2.221 538 K HA 0.484 4.805 4.320 0.001 0.000 0.243 538 K C -0.858 175.632 176.600 -0.184 0.000 0.968 538 K CA -0.972 55.181 56.287 -0.223 0.000 0.846 538 K CB 0.907 33.137 32.500 -0.450 0.000 1.141 538 K HN -0.071 nan 8.250 nan 0.000 0.434 539 K N 2.331 122.587 120.400 -0.240 0.000 2.253 539 K HA 0.267 4.588 4.320 0.001 0.000 0.277 539 K C -0.920 175.548 176.600 -0.220 0.000 1.053 539 K CA -0.251 55.963 56.287 -0.122 0.000 0.892 539 K CB 0.469 32.906 32.500 -0.105 0.000 1.102 539 K HN 0.465 nan 8.250 nan 0.000 0.469 540 Y N 3.257 123.572 120.300 0.025 0.000 2.387 540 Y HA 0.278 4.829 4.550 0.001 0.000 0.336 540 Y C -1.678 174.149 175.900 -0.121 0.000 1.067 540 Y CA -2.187 55.906 58.100 -0.013 0.000 1.114 540 Y CB 1.141 39.667 38.460 0.109 0.000 1.208 540 Y HN 0.454 nan 8.280 nan 0.000 0.458 541 P HA 0.151 nan 4.420 nan 0.000 0.272 541 P C -1.146 175.980 177.300 -0.290 0.000 1.230 541 P CA -0.193 62.593 63.100 -0.523 0.000 0.788 541 P CB 1.602 32.566 31.700 -1.227 0.000 0.949 542 L N 1.883 122.974 121.223 -0.220 0.000 2.438 542 L HA 0.473 4.814 4.340 0.001 0.000 0.270 542 L C -1.274 175.769 176.870 0.287 0.000 0.972 542 L CA -1.116 53.754 54.840 0.050 0.000 0.831 542 L CB 1.817 43.912 42.059 0.060 0.000 1.273 542 L HN 0.144 nan 8.230 nan 0.000 0.405 543 L N 5.500 126.913 121.223 0.316 0.000 2.280 543 L HA 0.492 4.833 4.340 0.001 0.000 0.287 543 L C -1.134 175.956 176.870 0.367 0.000 1.023 543 L CA -0.296 54.788 54.840 0.407 0.000 0.819 543 L CB 1.480 43.737 42.059 0.331 0.000 1.212 543 L HN 0.624 nan 8.230 nan 0.000 0.420 544 L N 5.323 126.808 121.223 0.437 0.000 2.283 544 L HA 0.367 4.708 4.340 0.001 0.000 0.287 544 L C -0.497 176.601 176.870 0.380 0.000 1.073 544 L CA 0.202 55.284 54.840 0.404 0.000 0.822 544 L CB 0.419 42.762 42.059 0.473 0.000 1.186 544 L HN 0.628 nan 8.230 nan 0.000 0.436 545 D N 4.521 125.123 120.400 0.337 0.000 2.347 545 D HA 0.253 4.894 4.640 0.001 0.000 0.235 545 D C -0.948 175.430 176.300 0.130 0.000 1.149 545 D CA 0.075 54.201 54.000 0.210 0.000 0.850 545 D CB 1.228 42.216 40.800 0.313 0.000 1.061 545 D HN 0.334 nan 8.370 nan 0.000 0.487 546 V N 5.288 125.214 119.914 0.020 0.000 2.914 546 V HA 0.480 4.601 4.120 0.001 0.000 0.314 546 V C -1.023 175.149 176.094 0.131 0.000 1.084 546 V CA -0.455 61.916 62.300 0.118 0.000 0.963 546 V CB 1.895 33.796 31.823 0.131 0.000 1.025 546 V HN 0.669 nan 8.190 nan 0.000 0.432 547 Y N 4.798 125.163 120.300 0.107 0.000 3.183 547 Y HA 0.563 5.114 4.550 0.001 0.000 0.200 547 Y C 1.558 177.583 175.900 0.209 0.000 0.912 547 Y CA 1.149 59.337 58.100 0.147 0.000 1.642 547 Y CB 0.317 38.846 38.460 0.115 0.000 1.447 547 Y HN 1.122 nan 8.280 nan 0.000 0.421 548 A N 0.999 123.918 122.820 0.165 0.000 2.887 548 A HA -0.165 4.156 4.320 0.001 0.000 0.257 548 A C 0.876 178.305 177.584 -0.258 0.000 1.372 548 A CA 0.875 52.946 52.037 0.056 0.000 0.879 548 A CB -2.486 16.597 19.000 0.138 0.000 1.082 548 A HN 0.935 nan 8.150 nan 0.000 0.703 549 G N -0.428 108.011 108.800 -0.601 0.000 2.651 549 G HA2 0.484 4.445 3.960 0.001 0.000 0.260 549 G HA3 0.484 4.445 3.960 0.001 0.000 0.260 549 G C -1.838 172.763 174.900 -0.499 0.000 1.216 549 G CA -0.508 43.847 45.100 -1.240 0.000 0.913 549 G HN 0.451 nan 8.290 nan 0.000 0.535 550 P HA 0.072 nan 4.420 nan 0.000 0.271 550 P C 0.502 177.669 177.300 -0.222 0.000 1.226 550 P CA 0.164 63.005 63.100 -0.432 0.000 0.765 550 P CB 0.893 31.984 31.700 -1.014 0.000 0.835 551 C N 2.321 121.546 119.300 -0.125 0.000 4.456 551 C HA -0.137 4.324 4.460 0.001 0.000 0.288 551 C C 0.971 175.970 174.990 0.016 0.000 1.374 551 C CA 1.124 60.036 59.018 -0.176 0.000 1.956 551 C CB -2.662 24.838 27.740 -0.400 0.000 1.255 551 C HN 0.814 nan 8.230 nan 0.000 0.788 552 S N 0.009 115.780 115.700 0.119 0.000 2.652 552 S HA 0.642 5.113 4.470 0.001 0.000 0.270 552 S C -0.676 174.080 174.600 0.260 0.000 1.243 552 S CA -0.041 58.317 58.200 0.264 0.000 0.999 552 S CB 1.763 65.185 63.200 0.370 0.000 0.973 552 S HN 0.809 nan 8.310 nan 0.000 0.544 553 Q N -0.011 119.968 119.800 0.299 0.000 2.309 553 Q HA 0.370 4.711 4.340 0.001 0.000 0.254 553 Q C -0.798 175.330 176.000 0.212 0.000 0.938 553 Q CA -0.576 55.396 55.803 0.282 0.000 0.789 553 Q CB 1.084 30.048 28.738 0.377 0.000 1.313 553 Q HN 0.696 nan 8.270 nan 0.000 0.438 554 K N 1.047 121.570 120.400 0.205 0.000 2.374 554 K HA 0.350 4.671 4.320 0.001 0.000 0.202 554 K C -0.542 176.168 176.600 0.184 0.000 1.040 554 K CA 0.238 56.637 56.287 0.186 0.000 1.085 554 K CB 1.649 34.283 32.500 0.224 0.000 0.873 554 K HN 0.494 nan 8.250 nan 0.000 0.539 555 A N 2.695 125.634 122.820 0.198 0.000 2.277 555 A HA 0.464 4.784 4.320 0.001 0.000 0.318 555 A C -0.850 176.812 177.584 0.130 0.000 1.339 555 A CA -0.512 51.648 52.037 0.205 0.000 0.875 555 A CB 0.230 19.417 19.000 0.312 0.000 1.158 555 A HN 0.234 nan 8.150 nan 0.000 0.514 556 D N -0.091 120.356 120.400 0.078 0.000 2.752 556 D HA 0.405 5.046 4.640 0.001 0.000 0.313 556 D C 0.363 176.668 176.300 0.008 0.000 1.225 556 D CA 0.267 54.293 54.000 0.042 0.000 0.976 556 D CB 0.296 41.116 40.800 0.033 0.000 1.443 556 D HN 0.171 nan 8.370 nan 0.000 0.515 557 T N -2.195 112.373 114.554 0.024 0.000 3.206 557 T HA 0.318 4.668 4.350 0.001 0.000 0.253 557 T C 0.421 175.074 174.700 -0.079 0.000 1.042 557 T CA -0.388 61.720 62.100 0.014 0.000 0.931 557 T CB -0.709 68.213 68.868 0.090 0.000 1.029 557 T HN 0.265 nan 8.240 nan 0.000 0.564 558 V N 2.576 122.345 119.914 -0.240 0.000 2.614 558 V HA 0.331 4.451 4.120 0.001 0.000 0.291 558 V C 0.098 176.126 176.094 -0.111 0.000 1.049 558 V CA -1.004 61.121 62.300 -0.292 0.000 1.038 558 V CB 0.164 31.695 31.823 -0.487 0.000 0.980 558 V HN 0.570 nan 8.190 nan 0.000 0.481 559 F N 6.579 126.433 119.950 -0.161 0.000 2.438 559 F HA 0.552 5.080 4.527 0.001 0.000 0.356 559 F C 0.500 176.246 175.800 -0.090 0.000 1.099 559 F CA -0.149 57.783 58.000 -0.112 0.000 1.185 559 F CB 0.232 39.173 39.000 -0.098 0.000 1.115 559 F HN 0.430 nan 8.300 nan 0.000 0.526 560 R N 6.735 126.694 120.500 -0.902 0.000 2.673 560 R HA 0.523 4.863 4.340 0.001 0.000 0.281 560 R C -1.696 174.180 176.300 -0.707 0.000 0.991 560 R CA -1.066 54.681 56.100 -0.589 0.000 0.896 560 R CB 2.141 32.276 30.300 -0.275 0.000 1.201 560 R HN 0.660 nan 8.270 nan 0.000 0.457 561 L N 4.086 125.084 121.223 -0.375 0.000 2.324 561 L HA 0.403 4.744 4.340 0.001 0.000 0.274 561 L C -0.643 176.234 176.870 0.013 0.000 1.012 561 L CA -0.650 54.034 54.840 -0.260 0.000 0.859 561 L CB 0.598 42.635 42.059 -0.036 0.000 1.224 561 L HN 0.760 nan 8.230 nan 0.000 0.429 562 N N 0.197 118.840 118.700 -0.096 0.000 3.387 562 N HA 0.170 4.911 4.740 0.001 0.000 0.322 562 N C 0.214 175.418 175.510 -0.511 0.000 1.588 562 N CA -0.891 52.023 53.050 -0.226 0.000 0.778 562 N CB 0.161 38.613 38.487 -0.058 0.000 1.883 562 N HN 0.278 nan 8.380 nan 0.000 0.628 563 W N 0.727 121.422 121.300 -1.008 0.000 2.318 563 W HA 0.063 4.724 4.660 0.001 0.000 0.313 563 W C 2.096 178.554 176.519 -0.102 0.000 1.221 563 W CA 3.088 60.060 57.345 -0.622 0.000 1.266 563 W CB -1.102 28.137 29.460 -0.368 0.000 1.150 563 W HN 0.707 nan 8.180 nan 0.000 0.496 564 A N -0.573 122.225 122.820 -0.037 0.000 1.978 564 A HA -0.227 4.094 4.320 0.001 0.000 0.220 564 A C 1.940 179.429 177.584 -0.157 0.000 1.170 564 A CA 2.571 54.523 52.037 -0.141 0.000 0.636 564 A CB -1.297 17.705 19.000 0.004 0.000 0.810 564 A HN 0.321 nan 8.150 nan 0.000 0.448 565 T N -1.336 113.144 114.554 -0.122 0.000 2.746 565 T HA -0.192 4.158 4.350 0.001 0.000 0.267 565 T C 1.799 176.529 174.700 0.050 0.000 1.039 565 T CA 1.713 63.722 62.100 -0.152 0.000 1.142 565 T CB -0.452 68.169 68.868 -0.411 0.000 0.866 565 T HN 0.706 nan 8.240 nan 0.000 0.444 566 Y N 1.976 122.352 120.300 0.127 0.000 2.163 566 Y HA 0.027 4.578 4.550 0.001 0.000 0.288 566 Y C 1.945 177.833 175.900 -0.020 0.000 1.136 566 Y CA 0.857 59.064 58.100 0.179 0.000 1.147 566 Y CB -0.719 37.841 38.460 0.167 0.000 0.987 566 Y HN 0.100 nan 8.280 nan 0.000 0.509 567 L N 0.219 121.028 121.223 -0.691 0.000 2.079 567 L HA -0.228 4.113 4.340 0.001 0.000 0.210 567 L C 2.763 179.386 176.870 -0.412 0.000 1.081 567 L CA 1.349 55.729 54.840 -0.767 0.000 0.752 567 L CB -0.926 40.725 42.059 -0.680 0.000 0.896 567 L HN 0.446 nan 8.230 nan 0.000 0.433 568 A N -1.395 121.264 122.820 -0.268 0.000 1.878 568 A HA -0.145 4.176 4.320 0.001 0.000 0.213 568 A C 2.500 180.015 177.584 -0.115 0.000 1.192 568 A CA 1.517 53.455 52.037 -0.166 0.000 0.619 568 A CB -0.513 18.393 19.000 -0.156 0.000 0.837 568 A HN 0.297 nan 8.150 nan 0.000 0.446 569 S N -0.993 114.656 115.700 -0.084 0.000 2.355 569 S HA -0.117 4.354 4.470 0.001 0.000 0.222 569 S C 2.000 176.605 174.600 0.009 0.000 1.031 569 S CA 2.283 60.480 58.200 -0.006 0.000 0.993 569 S CB -0.361 62.896 63.200 0.096 0.000 0.859 569 S HN 0.581 nan 8.310 nan 0.000 0.453 570 T N 1.225 115.755 114.554 -0.040 0.000 2.983 570 T HA 0.168 4.519 4.350 0.001 0.000 0.250 570 T C 1.376 176.033 174.700 -0.071 0.000 1.037 570 T CA 0.539 62.631 62.100 -0.013 0.000 1.142 570 T CB -0.071 68.856 68.868 0.098 0.000 0.876 570 T HN 0.317 nan 8.240 nan 0.000 0.455 571 E N 1.224 121.295 120.200 -0.214 0.000 2.479 571 E HA 0.158 4.509 4.350 0.001 0.000 0.193 571 E C 0.021 176.602 176.600 -0.033 0.000 1.049 571 E CA -0.044 56.281 56.400 -0.126 0.000 0.870 571 E CB -0.232 29.339 29.700 -0.214 0.000 0.944 571 E HN 0.508 nan 8.360 nan 0.000 0.492 572 N N 0.503 119.192 118.700 -0.019 0.000 2.754 572 N HA -0.184 4.557 4.740 0.001 0.000 0.248 572 N C -0.822 174.757 175.510 0.115 0.000 1.093 572 N CA 0.325 53.426 53.050 0.087 0.000 0.699 572 N CB -1.299 37.286 38.487 0.165 0.000 1.016 572 N HN 0.210 nan 8.380 nan 0.000 0.552 573 I N 0.898 121.471 120.570 0.005 0.000 2.359 573 I HA 0.317 4.488 4.170 0.001 0.000 0.294 573 I C 0.623 176.720 176.117 -0.033 0.000 0.987 573 I CA -0.788 60.518 61.300 0.011 0.000 1.225 573 I CB 1.156 39.176 38.000 0.034 0.000 1.366 573 I HN 0.030 nan 8.210 nan 0.000 0.466 574 I N 6.661 127.222 120.570 -0.015 0.000 2.396 574 I HA 0.129 4.300 4.170 0.001 0.000 0.289 574 I C -0.357 175.746 176.117 -0.024 0.000 1.056 574 I CA -0.303 60.954 61.300 -0.071 0.000 1.365 574 I CB 0.841 38.806 38.000 -0.057 0.000 1.407 574 I HN 0.210 nan 8.210 nan 0.000 0.509 575 V N 6.898 126.785 119.914 -0.045 0.000 2.328 575 V HA 0.624 4.745 4.120 0.001 0.000 0.278 575 V C 0.366 176.479 176.094 0.032 0.000 1.021 575 V CA -0.428 61.891 62.300 0.030 0.000 0.838 575 V CB 1.090 32.925 31.823 0.020 0.000 0.999 575 V HN 0.837 nan 8.190 nan 0.000 0.447 576 A N 4.064 126.927 122.820 0.072 0.000 2.354 576 A HA 0.963 5.284 4.320 0.001 0.000 0.321 576 A C -0.186 177.533 177.584 0.225 0.000 1.125 576 A CA -0.520 51.556 52.037 0.064 0.000 0.799 576 A CB 1.759 20.640 19.000 -0.198 0.000 1.293 576 A HN 0.693 nan 8.150 nan 0.000 0.452 577 S N -0.367 115.517 115.700 0.306 0.000 2.546 577 S HA 0.756 5.227 4.470 0.001 0.000 0.274 577 S C -1.504 173.446 174.600 0.583 0.000 1.121 577 S CA -0.318 58.115 58.200 0.389 0.000 0.887 577 S CB 1.397 64.773 63.200 0.293 0.000 1.094 577 S HN 0.823 nan 8.310 nan 0.000 0.474 578 F N 1.706 121.883 119.950 0.379 0.000 2.569 578 F HA 0.482 5.009 4.527 0.001 0.000 0.312 578 F C -1.629 174.376 175.800 0.342 0.000 1.109 578 F CA -0.734 57.517 58.000 0.420 0.000 0.919 578 F CB 1.512 40.745 39.000 0.390 0.000 1.211 578 F HN 0.402 nan 8.300 nan 0.000 0.446 579 D N 4.538 124.750 120.400 -0.313 0.000 2.443 579 D HA 0.395 5.036 4.640 0.001 0.000 0.221 579 D C 0.312 176.300 176.300 -0.520 0.000 1.097 579 D CA 0.122 53.993 54.000 -0.214 0.000 0.865 579 D CB 1.527 42.364 40.800 0.060 0.000 1.034 579 D HN 0.772 nan 8.370 nan 0.000 0.511 580 G N 1.296 109.886 108.800 -0.350 0.000 2.736 580 G HA2 0.309 4.270 3.960 0.001 0.000 0.229 580 G HA3 0.309 4.270 3.960 0.001 0.000 0.229 580 G C 0.073 174.996 174.900 0.038 0.000 1.380 580 G CA -0.755 44.187 45.100 -0.263 0.000 1.040 580 G HN 0.286 nan 8.290 nan 0.000 0.568 581 R N -0.598 119.893 120.500 -0.015 0.000 2.585 581 R HA 0.354 4.695 4.340 0.001 0.000 0.275 581 R C 1.246 177.631 176.300 0.142 0.000 1.018 581 R CA 1.567 57.750 56.100 0.138 0.000 1.072 581 R CB 0.392 30.741 30.300 0.082 0.000 0.953 581 R HN 1.081 nan 8.270 nan 0.000 0.419 582 G N 1.277 110.157 108.800 0.133 0.000 2.234 582 G HA2 -0.327 3.634 3.960 0.001 0.000 0.235 582 G HA3 -0.327 3.634 3.960 0.001 0.000 0.235 582 G C 0.169 175.091 174.900 0.038 0.000 0.997 582 G CA 0.146 45.303 45.100 0.094 0.000 0.623 582 G HN 0.731 nan 8.290 nan 0.000 0.514 583 S N 0.313 116.046 115.700 0.056 0.000 2.600 583 S HA 0.657 5.128 4.470 0.001 0.000 0.265 583 S C 0.887 175.460 174.600 -0.044 0.000 1.325 583 S CA 0.553 58.776 58.200 0.039 0.000 1.002 583 S CB 1.713 64.968 63.200 0.091 0.000 0.921 583 S HN 1.684 nan 8.310 nan 0.000 0.554 584 G N -1.055 107.674 108.800 -0.119 0.000 2.705 584 G HA2 0.503 4.464 3.960 0.001 0.000 0.299 584 G HA3 0.503 4.464 3.960 0.001 0.000 0.299 584 G C -0.958 173.741 174.900 -0.335 0.000 1.315 584 G CA -0.999 43.847 45.100 -0.424 0.000 1.045 584 G HN 0.948 nan 8.290 nan 0.000 0.517 585 Y N -2.350 117.939 120.300 -0.018 0.000 4.604 585 Y HA -0.225 4.326 4.550 0.001 0.000 0.230 585 Y C 1.452 177.343 175.900 -0.014 0.000 1.066 585 Y CA 1.136 59.230 58.100 -0.010 0.000 1.990 585 Y CB -2.177 36.298 38.460 0.026 0.000 1.619 585 Y HN 0.535 nan 8.280 nan 0.000 0.649 586 Q N -0.008 119.780 119.800 -0.020 0.000 2.112 586 Q HA 0.513 4.854 4.340 0.001 0.000 0.222 586 Q C 0.958 176.781 176.000 -0.294 0.000 0.798 586 Q CA 0.226 56.018 55.803 -0.018 0.000 1.060 586 Q CB 1.662 30.397 28.738 -0.004 0.000 1.184 586 Q HN 0.578 nan 8.270 nan 0.000 0.475 587 G N 0.806 109.305 108.800 -0.502 0.000 2.663 587 G HA2 -0.180 3.781 3.960 0.001 0.000 0.686 587 G HA3 -0.180 3.781 3.960 0.001 0.000 0.686 587 G C -0.518 173.994 174.900 -0.646 0.000 1.246 587 G CA -0.576 43.972 45.100 -0.919 0.000 0.795 587 G HN 0.099 nan 8.290 nan 0.000 0.627 588 D N 0.101 120.089 120.400 -0.685 0.000 2.218 588 D HA -0.063 4.578 4.640 0.001 0.000 0.204 588 D C 2.254 178.277 176.300 -0.461 0.000 0.976 588 D CA 1.444 55.000 54.000 -0.740 0.000 0.853 588 D CB 0.070 40.396 40.800 -0.790 0.000 0.939 588 D HN 0.483 nan 8.370 nan 0.000 0.481 589 K N 0.787 120.980 120.400 -0.346 0.000 2.097 589 K HA -0.048 4.273 4.320 0.001 0.000 0.206 589 K C 1.870 178.401 176.600 -0.114 0.000 1.049 589 K CA 0.937 57.115 56.287 -0.182 0.000 0.933 589 K CB -0.349 32.060 32.500 -0.152 0.000 0.717 589 K HN 0.169 nan 8.250 nan 0.000 0.442 590 I N -0.470 120.013 120.570 -0.145 0.000 2.339 590 I HA -0.111 4.060 4.170 0.001 0.000 0.245 590 I C 2.493 178.598 176.117 -0.020 0.000 1.096 590 I CA 0.876 62.161 61.300 -0.025 0.000 1.408 590 I CB -0.142 37.844 38.000 -0.024 0.000 1.092 590 I HN 0.224 nan 8.210 nan 0.000 0.423 591 M N 0.096 119.608 119.600 -0.147 0.000 2.117 591 M HA -0.241 4.240 4.480 0.001 0.000 0.262 591 M C 1.857 178.186 176.300 0.048 0.000 1.065 591 M CA 2.012 57.248 55.300 -0.108 0.000 1.114 591 M CB -0.296 32.134 32.600 -0.284 0.000 1.361 591 M HN 0.269 nan 8.290 nan 0.000 0.408 592 H N -0.856 118.120 119.070 -0.156 0.000 2.539 592 H HA 0.186 4.743 4.556 0.001 0.000 0.267 592 H C 1.826 177.178 175.328 0.040 0.000 0.982 592 H CA 0.114 56.084 56.048 -0.131 0.000 1.146 592 H CB 0.188 29.780 29.762 -0.284 0.000 1.382 592 H HN 0.522 nan 8.280 nan 0.000 0.577 593 A N 1.514 124.443 122.820 0.182 0.000 2.076 593 A HA -0.132 4.189 4.320 0.001 0.000 0.220 593 A C 2.018 179.809 177.584 0.346 0.000 1.160 593 A CA 1.084 53.253 52.037 0.220 0.000 0.653 593 A CB -0.649 18.445 19.000 0.156 0.000 0.801 593 A HN 0.589 nan 8.150 nan 0.000 0.455 594 I N -3.363 117.376 120.570 0.282 0.000 3.904 594 I HA 0.168 4.339 4.170 0.001 0.000 0.333 594 I C 0.333 176.528 176.117 0.130 0.000 1.361 594 I CA -0.515 60.898 61.300 0.189 0.000 1.116 594 I CB -0.496 37.585 38.000 0.135 0.000 1.028 594 I HN 0.175 nan 8.210 nan 0.000 0.398 595 N N 3.208 122.033 118.700 0.210 0.000 2.411 595 N HA -0.074 4.667 4.740 0.001 0.000 0.261 595 N C 0.211 175.744 175.510 0.039 0.000 1.248 595 N CA 0.413 53.586 53.050 0.205 0.000 0.885 595 N CB 0.366 38.939 38.487 0.143 0.000 1.062 595 N HN 0.428 nan 8.380 nan 0.000 0.471 596 R N 0.801 121.300 120.500 -0.003 0.000 4.000 596 R HA -0.193 4.147 4.340 0.001 0.000 0.362 596 R C -0.328 175.838 176.300 -0.223 0.000 1.183 596 R CA 0.811 56.866 56.100 -0.075 0.000 1.011 596 R CB -0.910 29.368 30.300 -0.037 0.000 1.501 596 R HN 0.571 nan 8.270 nan 0.000 0.553 597 R N 0.540 120.887 120.500 -0.254 0.000 2.648 597 R HA 0.342 4.683 4.340 0.001 0.000 0.341 597 R C -0.472 175.729 176.300 -0.164 0.000 1.154 597 R CA -0.189 55.599 56.100 -0.520 0.000 1.228 597 R CB 0.562 30.570 30.300 -0.487 0.000 1.311 597 R HN 0.068 nan 8.270 nan 0.000 0.659 598 L N -0.485 120.741 121.223 0.006 0.000 2.467 598 L HA 0.250 4.591 4.340 0.001 0.000 0.270 598 L C 1.335 178.444 176.870 0.399 0.000 1.205 598 L CA 0.890 55.795 54.840 0.108 0.000 0.828 598 L CB 0.502 42.417 42.059 -0.240 0.000 1.101 598 L HN 0.688 nan 8.230 nan 0.000 0.479 599 G N 0.530 109.605 108.800 0.457 0.000 2.136 599 G HA2 -0.292 3.668 3.960 0.001 0.000 0.242 599 G HA3 -0.292 3.668 3.960 0.001 0.000 0.242 599 G C 0.456 175.449 174.900 0.155 0.000 0.989 599 G CA 0.618 45.939 45.100 0.368 0.000 0.682 599 G HN 0.857 nan 8.290 nan 0.000 0.522 600 T N -3.598 111.001 114.554 0.076 0.000 3.257 600 T HA 0.467 4.818 4.350 0.001 0.000 0.176 600 T C 1.656 176.345 174.700 -0.017 0.000 0.892 600 T CA 0.926 62.975 62.100 -0.086 0.000 1.147 600 T CB -0.057 68.572 68.868 -0.397 0.000 1.840 600 T HN 0.142 nan 8.240 nan 0.000 0.375 601 F N 3.496 123.482 119.950 0.059 0.000 2.161 601 F HA 0.075 4.603 4.527 0.001 0.000 0.300 601 F C 2.798 178.626 175.800 0.047 0.000 1.089 601 F CA 1.202 59.225 58.000 0.039 0.000 1.282 601 F CB -0.698 38.319 39.000 0.030 0.000 1.010 601 F HN 0.524 nan 8.300 nan 0.000 0.485 602 E N 0.676 121.026 120.200 0.250 0.000 2.204 602 E HA -0.114 4.237 4.350 0.001 0.000 0.194 602 E C 2.088 178.789 176.600 0.168 0.000 0.989 602 E CA 1.359 57.877 56.400 0.196 0.000 0.824 602 E CB -0.975 28.837 29.700 0.188 0.000 0.756 602 E HN 0.298 nan 8.360 nan 0.000 0.477 603 V N 1.663 121.655 119.914 0.130 0.000 2.346 603 V HA -0.190 3.931 4.120 0.001 0.000 0.244 603 V C 2.337 178.472 176.094 0.067 0.000 1.037 603 V CA 2.016 64.350 62.300 0.057 0.000 1.029 603 V CB -0.564 31.247 31.823 -0.019 0.000 0.663 603 V HN 0.198 nan 8.190 nan 0.000 0.454 604 E N 0.213 120.469 120.200 0.093 0.000 2.085 604 E HA -0.256 4.094 4.350 0.001 0.000 0.194 604 E C 1.912 178.553 176.600 0.067 0.000 0.994 604 E CA 1.598 58.050 56.400 0.088 0.000 0.801 604 E CB -0.203 29.583 29.700 0.143 0.000 0.743 604 E HN 0.569 nan 8.360 nan 0.000 0.453 605 D N 0.250 120.708 120.400 0.097 0.000 2.178 605 D HA -0.132 4.509 4.640 0.001 0.000 0.202 605 D C 1.970 178.321 176.300 0.086 0.000 0.974 605 D CA 0.746 54.797 54.000 0.085 0.000 0.841 605 D CB -0.089 40.792 40.800 0.135 0.000 0.953 605 D HN 0.108 nan 8.370 nan 0.000 0.478 606 Q N 0.092 119.982 119.800 0.150 0.000 2.079 606 Q HA -0.027 4.314 4.340 0.001 0.000 0.200 606 Q C 2.555 178.606 176.000 0.085 0.000 0.974 606 Q CA 0.533 56.427 55.803 0.151 0.000 0.840 606 Q CB -0.115 28.720 28.738 0.162 0.000 0.898 606 Q HN 0.425 nan 8.270 nan 0.000 0.430 607 I N 0.781 121.410 120.570 0.098 0.000 2.202 607 I HA -0.229 3.941 4.170 0.001 0.000 0.242 607 I C 2.387 178.478 176.117 -0.043 0.000 1.091 607 I CA 0.928 62.322 61.300 0.158 0.000 1.368 607 I CB -0.236 37.843 38.000 0.132 0.000 1.058 607 I HN 0.093 nan 8.210 nan 0.000 0.410 608 E N 1.298 121.423 120.200 -0.125 0.000 2.085 608 E HA -0.221 4.130 4.350 0.001 0.000 0.194 608 E C 2.212 178.540 176.600 -0.454 0.000 0.994 608 E CA 1.714 57.973 56.400 -0.234 0.000 0.801 608 E CB -0.232 29.346 29.700 -0.204 0.000 0.743 608 E HN 0.469 nan 8.360 nan 0.000 0.453 609 A N 0.795 123.206 122.820 -0.682 0.000 1.873 609 A HA -0.056 4.265 4.320 0.001 0.000 0.215 609 A C 2.437 179.335 177.584 -1.144 0.000 1.186 609 A CA 2.265 53.574 52.037 -1.214 0.000 0.616 609 A CB -0.815 17.196 19.000 -1.648 0.000 0.823 609 A HN 0.309 nan 8.150 nan 0.000 0.442 610 A N -0.282 122.252 122.820 -0.476 0.000 1.883 610 A HA -0.200 4.121 4.320 0.001 0.000 0.217 610 A C 2.253 179.654 177.584 -0.306 0.000 1.186 610 A CA 1.860 53.781 52.037 -0.194 0.000 0.624 610 A CB -0.574 18.394 19.000 -0.054 0.000 0.822 610 A HN 0.554 nan 8.150 nan 0.000 0.444 611 R N -0.462 119.848 120.500 -0.317 0.000 2.096 611 R HA -0.219 4.122 4.340 0.001 0.000 0.240 611 R C 2.398 178.531 176.300 -0.278 0.000 1.139 611 R CA 2.076 58.018 56.100 -0.264 0.000 0.952 611 R CB -0.323 29.849 30.300 -0.214 0.000 0.854 611 R HN 0.712 nan 8.270 nan 0.000 0.436 612 Q N -0.856 118.703 119.800 -0.402 0.000 2.119 612 Q HA -0.148 4.192 4.340 0.001 0.000 0.201 612 Q C 1.994 177.825 176.000 -0.283 0.000 0.972 612 Q CA 1.292 56.873 55.803 -0.371 0.000 0.847 612 Q CB -0.070 28.388 28.738 -0.466 0.000 0.903 612 Q HN 0.329 nan 8.270 nan 0.000 0.433 613 F N 0.974 120.768 119.950 -0.261 0.000 2.186 613 F HA -0.159 4.369 4.527 0.001 0.000 0.299 613 F C 2.768 178.417 175.800 -0.251 0.000 1.090 613 F CA 1.283 59.125 58.000 -0.264 0.000 1.307 613 F CB -1.132 37.737 39.000 -0.218 0.000 1.019 613 F HN 0.077 nan 8.300 nan 0.000 0.489 614 S N -0.138 115.534 115.700 -0.048 0.000 2.447 614 S HA -0.161 4.310 4.470 0.001 0.000 0.233 614 S C 1.690 176.211 174.600 -0.131 0.000 1.006 614 S CA 0.851 58.989 58.200 -0.103 0.000 0.957 614 S CB -0.567 62.548 63.200 -0.140 0.000 0.773 614 S HN 0.412 nan 8.310 nan 0.000 0.507 615 K N 0.174 120.490 120.400 -0.140 0.000 2.487 615 K HA 0.271 4.591 4.320 0.001 0.000 0.192 615 K C 0.135 176.638 176.600 -0.162 0.000 1.027 615 K CA 0.077 56.283 56.287 -0.135 0.000 1.054 615 K CB -0.101 32.325 32.500 -0.123 0.000 0.824 615 K HN 0.485 nan 8.250 nan 0.000 0.510 616 M N -0.456 119.002 119.600 -0.236 0.000 2.274 616 M HA 0.091 4.571 4.480 0.001 0.000 0.344 616 M C 1.541 177.593 176.300 -0.414 0.000 1.161 616 M CA -0.173 54.892 55.300 -0.392 0.000 1.126 616 M CB 1.332 33.511 32.600 -0.702 0.000 1.522 616 M HN 0.115 nan 8.290 nan 0.000 0.461 617 G N 2.054 110.668 108.800 -0.310 0.000 2.450 617 G HA2 -0.211 3.749 3.960 0.001 0.000 0.220 617 G HA3 -0.211 3.749 3.960 0.001 0.000 0.220 617 G C 0.783 175.641 174.900 -0.070 0.000 1.130 617 G CA 0.868 45.887 45.100 -0.134 0.000 0.760 617 G HN 0.794 nan 8.290 nan 0.000 0.557 618 F N -0.118 119.905 119.950 0.122 0.000 2.660 618 F HA 0.616 5.144 4.527 0.001 0.000 0.302 618 F C -0.114 175.820 175.800 0.225 0.000 1.103 618 F CA -1.439 56.682 58.000 0.201 0.000 1.340 618 F CB -0.289 38.938 39.000 0.379 0.000 1.048 618 F HN -0.174 nan 8.300 nan 0.000 0.551 619 V N 1.501 121.388 119.914 -0.046 0.000 2.459 619 V HA 0.203 4.323 4.120 0.001 0.000 0.295 619 V C -0.689 175.384 176.094 -0.035 0.000 1.029 619 V CA -0.833 61.472 62.300 0.008 0.000 0.874 619 V CB 1.583 33.350 31.823 -0.094 0.000 0.985 619 V HN 0.076 nan 8.190 nan 0.000 0.438 620 D N 3.503 123.881 120.400 -0.037 0.000 2.393 620 D HA 0.065 4.706 4.640 0.001 0.000 0.232 620 D C 1.346 177.596 176.300 -0.083 0.000 1.192 620 D CA -0.156 53.798 54.000 -0.077 0.000 0.882 620 D CB 0.389 41.122 40.800 -0.111 0.000 1.038 620 D HN 0.744 nan 8.370 nan 0.000 0.499 621 N N 2.696 121.348 118.700 -0.079 0.000 2.585 621 N HA -0.154 4.587 4.740 0.001 0.000 0.188 621 N C 0.768 176.237 175.510 -0.069 0.000 1.102 621 N CA 0.372 53.371 53.050 -0.085 0.000 0.920 621 N CB 0.182 38.614 38.487 -0.091 0.000 0.963 621 N HN 0.241 nan 8.380 nan 0.000 0.447 622 K N -0.047 120.321 120.400 -0.054 0.000 2.379 622 K HA 0.131 4.452 4.320 0.001 0.000 0.194 622 K C 0.148 176.753 176.600 0.008 0.000 1.031 622 K CA 0.232 56.504 56.287 -0.024 0.000 1.037 622 K CB 0.435 32.922 32.500 -0.023 0.000 0.824 622 K HN 0.158 nan 8.250 nan 0.000 0.516 623 R N 1.204 121.684 120.500 -0.032 0.000 2.651 623 R HA 0.367 4.708 4.340 0.001 0.000 0.282 623 R C -1.028 175.270 176.300 -0.002 0.000 1.565 623 R CA -0.086 56.005 56.100 -0.015 0.000 1.661 623 R CB 0.646 30.776 30.300 -0.283 0.000 1.189 623 R HN -0.029 nan 8.270 nan 0.000 0.621 624 I N 1.021 121.693 120.570 0.170 0.000 2.436 624 I HA 0.631 4.802 4.170 0.001 0.000 0.289 624 I C -0.069 176.322 176.117 0.455 0.000 1.010 624 I CA -0.779 60.650 61.300 0.215 0.000 1.098 624 I CB 1.988 39.966 38.000 -0.037 0.000 1.266 624 I HN 0.375 nan 8.210 nan 0.000 0.434 625 A N 6.830 130.021 122.820 0.618 0.000 2.387 625 A HA 0.937 5.258 4.320 0.001 0.000 0.298 625 A C -1.189 176.761 177.584 0.609 0.000 1.165 625 A CA -0.664 51.721 52.037 0.580 0.000 0.814 625 A CB 2.070 21.283 19.000 0.355 0.000 1.357 625 A HN 0.718 nan 8.150 nan 0.000 0.443 626 I N 0.091 120.927 120.570 0.443 0.000 2.752 626 I HA 0.682 4.853 4.170 0.001 0.000 0.295 626 I C -2.014 174.352 176.117 0.415 0.000 1.219 626 I CA -0.550 60.941 61.300 0.318 0.000 1.030 626 I CB 1.699 39.603 38.000 -0.160 0.000 1.259 626 I HN 0.943 nan 8.210 nan 0.000 0.423 627 W N 7.057 128.486 121.300 0.214 0.000 3.167 627 W HA 0.850 5.510 4.660 0.001 0.000 0.324 627 W C -1.558 175.118 176.519 0.261 0.000 1.230 627 W CA -1.000 56.491 57.345 0.242 0.000 1.184 627 W CB 1.178 30.841 29.460 0.338 0.000 1.414 627 W HN 0.833 nan 8.180 nan 0.000 0.551 628 G N 1.159 109.937 108.800 -0.036 0.000 2.632 628 G HA2 0.489 4.450 3.960 0.001 0.000 0.292 628 G HA3 0.489 4.450 3.960 0.001 0.000 0.292 628 G C -2.841 172.060 174.900 0.002 0.000 1.465 628 G CA -0.676 44.262 45.100 -0.271 0.000 0.824 628 G HN 0.604 nan 8.290 nan 0.000 0.509 629 W N 1.216 122.430 121.300 -0.143 0.000 2.736 629 W HA 0.644 5.305 4.660 0.001 0.000 0.335 629 W C 0.694 177.274 176.519 0.102 0.000 1.059 629 W CA 0.227 57.567 57.345 -0.008 0.000 1.226 629 W CB 1.847 31.302 29.460 -0.008 0.000 1.416 629 W HN 1.226 nan 8.180 nan 0.000 0.505 630 S N 2.410 118.390 115.700 0.466 0.000 4.064 630 S HA -0.421 4.050 4.470 0.001 0.000 0.625 630 S C 1.076 175.828 174.600 0.255 0.000 2.010 630 S CA 1.607 60.104 58.200 0.494 0.000 4.186 630 S CB -1.812 61.834 63.200 0.743 0.000 0.211 630 S HN 0.751 nan 8.310 nan 0.000 0.605 631 Y N 2.322 122.685 120.300 0.105 0.000 2.241 631 Y HA -0.019 4.531 4.550 0.001 0.000 0.286 631 Y C 2.317 178.117 175.900 -0.167 0.000 1.166 631 Y CA 2.584 60.594 58.100 -0.149 0.000 1.203 631 Y CB -0.994 37.163 38.460 -0.506 0.000 0.977 631 Y HN 0.530 nan 8.280 nan 0.000 0.529 632 G N -1.225 107.593 108.800 0.030 0.000 2.443 632 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 632 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 632 G C 1.886 176.832 174.900 0.076 0.000 1.131 632 G CA 0.661 45.804 45.100 0.072 0.000 0.775 632 G HN 0.572 nan 8.290 nan 0.000 0.547 633 G N -0.136 108.722 108.800 0.098 0.000 2.403 633 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 633 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 633 G C 1.552 176.493 174.900 0.069 0.000 1.154 633 G CA 0.983 46.127 45.100 0.074 0.000 0.784 633 G HN 0.398 nan 8.290 nan 0.000 0.538 634 Y N 1.475 121.695 120.300 -0.133 0.000 2.114 634 Y HA -0.138 4.413 4.550 0.001 0.000 0.284 634 Y C 2.757 178.584 175.900 -0.121 0.000 1.143 634 Y CA 1.680 59.653 58.100 -0.213 0.000 1.135 634 Y CB -0.519 37.660 38.460 -0.469 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.324 119.481 119.914 -0.181 0.000 2.407 635 V HA -0.314 3.807 4.120 0.001 0.000 0.248 635 V C 2.320 178.306 176.094 -0.180 0.000 1.055 635 V CA 2.399 64.574 62.300 -0.208 0.000 1.049 635 V CB -1.142 30.699 31.823 0.030 0.000 0.662 635 V HN 0.495 nan 8.190 nan 0.000 0.455 636 T N -0.318 114.184 114.554 -0.087 0.000 2.746 636 T HA -0.170 4.180 4.350 0.001 0.000 0.267 636 T C 2.140 176.785 174.700 -0.091 0.000 1.039 636 T CA 1.922 63.979 62.100 -0.071 0.000 1.142 636 T CB -0.198 68.707 68.868 0.063 0.000 0.866 636 T HN 0.515 nan 8.240 nan 0.000 0.444 637 S N 0.948 116.627 115.700 -0.034 0.000 2.371 637 S HA 0.044 4.514 4.470 0.001 0.000 0.224 637 S C 2.100 176.620 174.600 -0.134 0.000 1.029 637 S CA 0.788 58.997 58.200 0.016 0.000 0.978 637 S CB -0.211 63.062 63.200 0.121 0.000 0.833 637 S HN 0.322 nan 8.310 nan 0.000 0.466 638 M N 0.943 120.374 119.600 -0.280 0.000 2.229 638 M HA -0.005 4.476 4.480 0.001 0.000 0.264 638 M C 2.126 178.265 176.300 -0.269 0.000 1.063 638 M CA 0.960 56.075 55.300 -0.307 0.000 1.114 638 M CB -1.279 31.033 32.600 -0.479 0.000 1.387 638 M HN 0.173 nan 8.290 nan 0.000 0.420 639 V N 0.595 120.338 119.914 -0.286 0.000 2.270 639 V HA -0.226 3.895 4.120 0.001 0.000 0.245 639 V C 2.485 178.369 176.094 -0.349 0.000 1.043 639 V CA 1.342 63.469 62.300 -0.289 0.000 1.014 639 V CB -0.590 30.995 31.823 -0.397 0.000 0.645 639 V HN 0.387 nan 8.190 nan 0.000 0.447 640 L N 0.469 121.405 121.223 -0.477 0.000 2.187 640 L HA -0.085 4.256 4.340 0.001 0.000 0.213 640 L C 2.130 178.413 176.870 -0.979 0.000 1.100 640 L CA 1.512 55.961 54.840 -0.652 0.000 0.765 640 L CB -0.708 40.895 42.059 -0.759 0.000 0.904 640 L HN 0.498 nan 8.230 nan 0.000 0.437 641 G N -1.499 106.746 108.800 -0.924 0.000 3.371 641 G HA2 -0.004 3.957 3.960 0.001 0.000 0.248 641 G HA3 -0.004 3.957 3.960 0.001 0.000 0.248 641 G C 1.396 176.139 174.900 -0.262 0.000 1.161 641 G CA 0.542 45.250 45.100 -0.652 0.000 0.796 641 G HN 0.420 nan 8.290 nan 0.000 0.539 642 S N -0.946 114.615 115.700 -0.231 0.000 2.501 642 S HA 0.317 4.788 4.470 0.001 0.000 0.220 642 S C 1.938 176.494 174.600 -0.073 0.000 0.997 642 S CA 1.035 59.167 58.200 -0.115 0.000 0.919 642 S CB 0.002 63.152 63.200 -0.082 0.000 0.778 642 S HN 1.338 nan 8.310 nan 0.000 0.523 643 G N 1.424 110.172 108.800 -0.086 0.000 2.143 643 G HA2 -0.348 3.613 3.960 0.001 0.000 0.249 643 G HA3 -0.348 3.613 3.960 0.001 0.000 0.249 643 G C 1.021 175.910 174.900 -0.018 0.000 0.981 643 G CA 0.966 46.039 45.100 -0.045 0.000 0.665 643 G HN 1.279 nan 8.290 nan 0.000 0.528 644 S N -0.289 115.411 115.700 -0.001 0.000 2.419 644 S HA 0.269 4.739 4.470 0.001 0.000 0.233 644 S C 2.616 177.221 174.600 0.008 0.000 1.016 644 S CA 1.823 60.035 58.200 0.020 0.000 0.974 644 S CB -0.382 62.862 63.200 0.074 0.000 0.786 644 S HN 2.442 nan 8.310 nan 0.000 0.492 645 G N -0.110 108.702 108.800 0.020 0.000 2.189 645 G HA2 -0.291 3.670 3.960 0.001 0.000 0.267 645 G HA3 -0.291 3.670 3.960 0.001 0.000 0.267 645 G C 0.771 175.652 174.900 -0.031 0.000 0.975 645 G CA 0.485 45.587 45.100 0.003 0.000 0.644 645 G HN 0.755 nan 8.290 nan 0.000 0.537 646 V N -0.598 119.275 119.914 -0.068 0.000 2.591 646 V HA 0.263 4.384 4.120 0.001 0.000 0.249 646 V C 1.276 177.106 176.094 -0.439 0.000 1.053 646 V CA 1.425 63.541 62.300 -0.307 0.000 1.068 646 V CB -0.369 31.138 31.823 -0.527 0.000 0.689 646 V HN 0.312 nan 8.190 nan 0.000 0.462 647 F N -0.034 119.930 119.950 0.023 0.000 2.422 647 F HA 0.397 4.925 4.527 0.001 0.000 0.333 647 F C 1.139 176.982 175.800 0.073 0.000 1.095 647 F CA -0.486 57.554 58.000 0.067 0.000 1.038 647 F CB 1.398 40.439 39.000 0.068 0.000 1.156 647 F HN -0.253 nan 8.300 nan 0.000 0.483 648 K N 1.332 121.891 120.400 0.265 0.000 2.262 648 K HA 0.162 4.483 4.320 0.001 0.000 0.200 648 K C -0.312 176.419 176.600 0.217 0.000 1.049 648 K CA 0.673 57.080 56.287 0.201 0.000 0.979 648 K CB 0.289 32.900 32.500 0.185 0.000 0.773 648 K HN 0.792 nan 8.250 nan 0.000 0.474 649 c N -2.608 116.160 118.600 0.280 0.000 3.311 649 c HA 0.880 5.451 4.570 0.001 0.000 0.325 649 c C -0.314 174.003 174.090 0.377 0.000 1.352 649 c CA -0.668 55.851 56.329 0.316 0.000 1.308 649 c CB 1.095 43.728 42.510 0.205 0.000 1.619 649 c HN 0.298 nan 8.230 nan 0.000 0.469 650 G N 0.172 109.254 108.800 0.470 0.000 2.698 650 G HA2 0.726 4.687 3.960 0.001 0.000 0.293 650 G HA3 0.726 4.687 3.960 0.001 0.000 0.293 650 G C -1.894 173.241 174.900 0.391 0.000 1.437 650 G CA -0.700 44.646 45.100 0.409 0.000 0.852 650 G HN 1.016 nan 8.290 nan 0.000 0.499 651 I N 0.843 121.617 120.570 0.340 0.000 2.466 651 I HA 0.605 4.776 4.170 0.001 0.000 0.289 651 I C 0.114 176.374 176.117 0.238 0.000 1.026 651 I CA -0.996 60.402 61.300 0.165 0.000 1.078 651 I CB 2.177 40.257 38.000 0.134 0.000 1.249 651 I HN 0.635 nan 8.210 nan 0.000 0.429 652 A N 6.590 129.451 122.820 0.069 0.000 2.287 652 A HA 0.770 5.091 4.320 0.001 0.000 0.317 652 A C -0.725 176.798 177.584 -0.101 0.000 1.220 652 A CA -0.500 51.580 52.037 0.072 0.000 0.835 652 A CB 1.169 20.274 19.000 0.175 0.000 1.180 652 A HN 0.448 nan 8.150 nan 0.000 0.500 653 V N 2.114 121.928 119.914 -0.167 0.000 2.417 653 V HA 0.574 4.695 4.120 0.001 0.000 0.291 653 V C 0.937 176.686 176.094 -0.576 0.000 1.024 653 V CA 0.285 62.275 62.300 -0.517 0.000 0.861 653 V CB 0.886 32.095 31.823 -1.022 0.000 0.985 653 V HN 2.079 nan 8.190 nan 0.000 0.436 654 A N 5.596 128.027 122.820 -0.648 0.000 2.415 654 A HA -0.108 4.213 4.320 0.001 0.000 0.292 654 A C -1.759 175.701 177.584 -0.207 0.000 1.452 654 A CA 0.538 52.079 52.037 -0.827 0.000 0.750 654 A CB -1.539 17.119 19.000 -0.570 0.000 1.099 654 A HN 0.614 nan 8.150 nan 0.000 0.391 655 P HA 0.464 nan 4.420 nan 0.000 0.278 655 P C 0.065 177.348 177.300 -0.028 0.000 1.258 655 P CA -0.361 62.739 63.100 -0.000 0.000 0.811 655 P CB 1.378 33.098 31.700 0.033 0.000 1.063 656 V N 1.719 121.513 119.914 -0.200 0.000 2.607 656 V HA 0.106 4.226 4.120 0.001 0.000 0.289 656 V C 1.695 177.580 176.094 -0.347 0.000 1.053 656 V CA 0.785 62.810 62.300 -0.459 0.000 0.996 656 V CB 0.907 32.070 31.823 -1.101 0.000 0.995 656 V HN 0.835 nan 8.190 nan 0.000 0.476 657 S N 4.189 119.723 115.700 -0.278 0.000 2.564 657 S HA 0.231 4.702 4.470 0.001 0.000 0.231 657 S C 0.497 174.925 174.600 -0.286 0.000 1.067 657 S CA -0.354 57.759 58.200 -0.145 0.000 0.908 657 S CB 0.304 63.491 63.200 -0.022 0.000 0.809 657 S HN 0.820 nan 8.310 nan 0.000 0.491 658 R N -1.162 119.046 120.500 -0.487 0.000 2.548 658 R HA 0.489 4.830 4.340 0.001 0.000 0.280 658 R C -0.880 175.056 176.300 -0.607 0.000 1.061 658 R CA -0.879 54.871 56.100 -0.583 0.000 0.915 658 R CB -0.050 29.871 30.300 -0.631 0.000 1.210 658 R HN 0.143 nan 8.270 nan 0.000 0.442 659 W N 1.482 122.674 121.300 -0.179 0.000 2.387 659 W HA -0.043 4.618 4.660 0.001 0.000 0.272 659 W C 1.083 177.716 176.519 0.189 0.000 1.224 659 W CA 0.860 58.188 57.345 -0.029 0.000 1.210 659 W CB 0.207 29.561 29.460 -0.177 0.000 1.125 659 W HN 0.725 nan 8.180 nan 0.000 0.572 660 E N -1.019 119.333 120.200 0.253 0.000 2.409 660 E HA -0.178 4.173 4.350 0.001 0.000 0.198 660 E C 1.172 177.910 176.600 0.231 0.000 1.024 660 E CA 0.682 57.197 56.400 0.192 0.000 0.861 660 E CB -0.185 29.518 29.700 0.005 0.000 0.788 660 E HN 0.383 nan 8.360 nan 0.000 0.521 661 Y N -1.521 118.869 120.300 0.149 0.000 2.510 661 Y HA 0.064 4.615 4.550 0.001 0.000 0.273 661 Y C 0.670 176.672 175.900 0.170 0.000 1.119 661 Y CA -0.296 57.863 58.100 0.098 0.000 1.286 661 Y CB -0.318 38.142 38.460 -0.001 0.000 1.061 661 Y HN 0.008 nan 8.280 nan 0.000 0.542 662 Y N 2.050 122.506 120.300 0.260 0.000 2.374 662 Y HA 0.280 4.831 4.550 0.001 0.000 0.322 662 Y C 0.353 176.476 175.900 0.372 0.000 1.275 662 Y CA -2.120 56.148 58.100 0.278 0.000 1.307 662 Y CB 0.363 39.009 38.460 0.310 0.000 1.282 662 Y HN 0.203 nan 8.280 nan 0.000 0.509 663 D N -0.419 119.664 120.400 -0.529 0.000 2.400 663 D HA 0.058 4.699 4.640 0.001 0.000 0.238 663 D C 0.942 177.221 176.300 -0.035 0.000 1.157 663 D CA 0.451 54.238 54.000 -0.355 0.000 0.889 663 D CB 0.814 41.156 40.800 -0.764 0.000 1.199 663 D HN 0.476 nan 8.370 nan 0.000 0.436 664 S N 1.055 116.751 115.700 -0.007 0.000 2.356 664 S HA -0.207 4.264 4.470 0.001 0.000 0.223 664 S C 1.932 176.565 174.600 0.055 0.000 1.032 664 S CA 1.056 59.306 58.200 0.083 0.000 1.005 664 S CB -0.947 62.311 63.200 0.098 0.000 0.867 664 S HN 0.435 nan 8.310 nan 0.000 0.449 665 V N 0.771 120.653 119.914 -0.054 0.000 2.332 665 V HA -0.179 3.942 4.120 0.001 0.000 0.248 665 V C 2.315 178.336 176.094 -0.123 0.000 1.055 665 V CA 2.260 64.433 62.300 -0.212 0.000 1.038 665 V CB -1.052 30.487 31.823 -0.474 0.000 0.651 665 V HN 0.636 nan 8.190 nan 0.000 0.450 666 Y N 1.196 121.445 120.300 -0.085 0.000 2.231 666 Y HA -0.147 4.404 4.550 0.001 0.000 0.294 666 Y C 2.684 178.606 175.900 0.037 0.000 1.120 666 Y CA 2.035 60.159 58.100 0.040 0.000 1.141 666 Y CB -0.565 38.113 38.460 0.363 0.000 1.022 666 Y HN 0.213 nan 8.280 nan 0.000 0.523 667 T N 0.540 115.356 114.554 0.438 0.000 2.652 667 T HA -0.207 4.144 4.350 0.001 0.000 0.267 667 T C 1.567 176.267 174.700 0.000 0.000 1.039 667 T CA 2.007 64.279 62.100 0.287 0.000 1.153 667 T CB -0.341 68.831 68.868 0.506 0.000 0.863 667 T HN 0.435 nan 8.240 nan 0.000 0.428 668 E N 0.594 120.819 120.200 0.042 0.000 2.204 668 E HA -0.119 4.232 4.350 0.001 0.000 0.195 668 E C 2.361 178.859 176.600 -0.171 0.000 0.990 668 E CA 0.486 56.896 56.400 0.017 0.000 0.821 668 E CB -0.143 29.608 29.700 0.086 0.000 0.750 668 E HN 0.363 nan 8.360 nan 0.000 0.477 669 R N 0.257 120.503 120.500 -0.423 0.000 2.105 669 R HA -0.193 4.148 4.340 0.001 0.000 0.239 669 R C 1.242 177.025 176.300 -0.862 0.000 1.135 669 R CA 1.586 57.245 56.100 -0.735 0.000 0.967 669 R CB -0.019 29.500 30.300 -1.302 0.000 0.861 669 R HN 0.240 nan 8.270 nan 0.000 0.442 670 Y N -1.840 118.138 120.300 -0.536 0.000 2.507 670 Y HA 0.228 4.779 4.550 0.001 0.000 0.263 670 Y C 1.668 177.366 175.900 -0.337 0.000 1.093 670 Y CA 0.072 57.837 58.100 -0.557 0.000 1.285 670 Y CB 0.482 38.477 38.460 -0.774 0.000 1.115 670 Y HN -0.042 nan 8.280 nan 0.000 0.533 671 M N -0.343 119.148 119.600 -0.183 0.000 2.313 671 M HA 0.365 4.846 4.480 0.001 0.000 0.273 671 M C 0.989 177.318 176.300 0.050 0.000 1.049 671 M CA 0.626 55.825 55.300 -0.169 0.000 1.004 671 M CB -0.248 32.044 32.600 -0.514 0.000 1.461 671 M HN 0.319 nan 8.290 nan 0.000 0.514 672 G N 2.044 110.880 108.800 0.060 0.000 2.641 672 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 672 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 672 G C -0.467 174.579 174.900 0.242 0.000 1.315 672 G CA -0.681 44.492 45.100 0.122 0.000 0.907 672 G HN 0.376 nan 8.290 nan 0.000 0.572 673 L N 1.750 123.077 121.223 0.174 0.000 2.357 673 L HA 0.464 4.804 4.340 0.001 0.000 0.273 673 L C -1.490 175.379 176.870 -0.002 0.000 1.080 673 L CA -1.801 53.096 54.840 0.095 0.000 0.803 673 L CB 1.967 44.044 42.059 0.030 0.000 1.174 673 L HN 0.460 nan 8.230 nan 0.000 0.443 674 P HA 0.100 nan 4.420 nan 0.000 0.214 674 P C -0.707 176.442 177.300 -0.251 0.000 1.826 674 P CA -0.145 62.569 63.100 -0.643 0.000 0.977 674 P CB -0.167 30.751 31.700 -1.302 0.000 1.930 675 T N -2.266 112.227 114.554 -0.102 0.000 2.907 675 T HA 0.463 4.813 4.350 0.001 0.000 0.292 675 T C -2.015 172.678 174.700 -0.011 0.000 1.043 675 T CA -2.419 59.651 62.100 -0.051 0.000 1.003 675 T CB 1.994 70.844 68.868 -0.030 0.000 1.084 675 T HN -0.194 nan 8.240 nan 0.000 0.483 676 P HA -0.097 nan 4.420 nan 0.000 0.218 676 P C 0.736 178.048 177.300 0.020 0.000 1.148 676 P CA 1.216 64.324 63.100 0.013 0.000 0.822 676 P CB 0.157 31.862 31.700 0.008 0.000 0.784 677 E N -0.865 119.343 120.200 0.013 0.000 2.347 677 E HA -0.083 4.268 4.350 0.001 0.000 0.196 677 E C 1.534 178.149 176.600 0.025 0.000 1.008 677 E CA 0.765 57.174 56.400 0.016 0.000 0.852 677 E CB -0.355 29.350 29.700 0.008 0.000 0.783 677 E HN 0.334 nan 8.360 nan 0.000 0.505 678 D N -0.741 119.680 120.400 0.035 0.000 3.013 678 D HA 0.063 4.703 4.640 0.001 0.000 0.235 678 D C 0.206 176.559 176.300 0.089 0.000 1.540 678 D CA 0.245 54.278 54.000 0.055 0.000 1.303 678 D CB 0.080 40.915 40.800 0.057 0.000 0.980 678 D HN -0.012 nan 8.370 nan 0.000 0.250 679 N N 0.005 118.788 118.700 0.139 0.000 2.387 679 N HA 0.087 4.828 4.740 0.001 0.000 0.259 679 N C 0.835 176.535 175.510 0.316 0.000 1.369 679 N CA -0.071 53.111 53.050 0.220 0.000 0.867 679 N CB 0.197 38.840 38.487 0.259 0.000 1.341 679 N HN 0.068 nan 8.380 nan 0.000 0.495 680 L N 0.519 121.845 121.223 0.172 0.000 2.012 680 L HA -0.079 4.262 4.340 0.001 0.000 0.210 680 L C 1.200 178.173 176.870 0.172 0.000 1.073 680 L CA 2.013 56.930 54.840 0.128 0.000 0.748 680 L CB -0.505 41.565 42.059 0.018 0.000 0.891 680 L HN 0.159 nan 8.230 nan 0.000 0.431 681 D N -1.308 119.174 120.400 0.137 0.000 2.133 681 D HA -0.280 4.361 4.640 0.001 0.000 0.192 681 D C 2.116 178.501 176.300 0.142 0.000 1.001 681 D CA 1.896 55.966 54.000 0.118 0.000 0.844 681 D CB -0.243 40.618 40.800 0.101 0.000 0.944 681 D HN 0.587 nan 8.370 nan 0.000 0.447 682 H N -1.101 118.038 119.070 0.114 0.000 2.462 682 H HA -0.044 4.513 4.556 0.001 0.000 0.292 682 H C 1.694 177.095 175.328 0.121 0.000 1.049 682 H CA 1.102 57.199 56.048 0.081 0.000 1.334 682 H CB -0.263 29.513 29.762 0.023 0.000 1.404 682 H HN 0.175 nan 8.280 nan 0.000 0.544 683 Y N 0.108 120.388 120.300 -0.033 0.000 2.224 683 Y HA -0.145 4.406 4.550 0.001 0.000 0.289 683 Y C 2.222 178.079 175.900 -0.071 0.000 1.146 683 Y CA 1.247 59.338 58.100 -0.016 0.000 1.182 683 Y CB 0.211 38.695 38.460 0.041 0.000 0.983 683 Y HN 0.121 nan 8.280 nan 0.000 0.524 684 R N -0.313 120.249 120.500 0.102 0.000 2.200 684 R HA -0.003 4.338 4.340 0.001 0.000 0.208 684 R C 1.047 177.332 176.300 -0.024 0.000 1.033 684 R CA 0.598 56.714 56.100 0.027 0.000 1.000 684 R CB -0.480 29.840 30.300 0.032 0.000 0.906 684 R HN 0.394 nan 8.270 nan 0.000 0.462 685 N N 0.437 119.095 118.700 -0.071 0.000 2.353 685 N HA -0.030 4.711 4.740 0.001 0.000 0.185 685 N C 0.471 175.905 175.510 -0.125 0.000 1.098 685 N CA 0.473 53.478 53.050 -0.075 0.000 0.872 685 N CB 0.441 38.917 38.487 -0.020 0.000 0.970 685 N HN 0.122 nan 8.380 nan 0.000 0.467 686 S N -0.583 114.993 115.700 -0.206 0.000 2.561 686 S HA 0.094 4.565 4.470 0.001 0.000 0.245 686 S C 0.595 175.236 174.600 0.068 0.000 1.001 686 S CA -0.725 57.427 58.200 -0.081 0.000 1.002 686 S CB -0.358 62.744 63.200 -0.164 0.000 0.805 686 S HN 0.155 nan 8.310 nan 0.000 0.458 687 T N -1.826 112.726 114.554 -0.004 0.000 2.934 687 T HA 0.551 4.902 4.350 0.001 0.000 0.283 687 T C 1.276 175.977 174.700 0.002 0.000 1.005 687 T CA -0.656 61.433 62.100 -0.018 0.000 1.041 687 T CB 1.381 70.204 68.868 -0.075 0.000 1.042 687 T HN -0.049 nan 8.240 nan 0.000 0.505 688 V N 1.637 121.552 119.914 0.001 0.000 2.323 688 V HA -0.116 4.004 4.120 0.001 0.000 0.244 688 V C 2.663 178.738 176.094 -0.032 0.000 1.041 688 V CA 1.619 63.911 62.300 -0.012 0.000 1.025 688 V CB -0.952 30.862 31.823 -0.014 0.000 0.656 688 V HN 0.822 nan 8.190 nan 0.000 0.451 689 M N 1.345 120.910 119.600 -0.058 0.000 2.143 689 M HA -0.203 4.277 4.480 0.001 0.000 0.258 689 M C 2.343 178.618 176.300 -0.041 0.000 1.071 689 M CA 2.318 57.576 55.300 -0.070 0.000 1.088 689 M CB -1.147 31.421 32.600 -0.053 0.000 1.360 689 M HN 0.551 nan 8.290 nan 0.000 0.404 690 S N -0.362 115.324 115.700 -0.023 0.000 2.469 690 S HA -0.099 4.371 4.470 0.001 0.000 0.238 690 S C 1.790 176.395 174.600 0.009 0.000 0.998 690 S CA 0.807 59.002 58.200 -0.009 0.000 0.957 690 S CB -0.472 62.722 63.200 -0.009 0.000 0.764 690 S HN 0.563 nan 8.310 nan 0.000 0.514 691 R N 0.523 121.040 120.500 0.028 0.000 2.359 691 R HA 0.454 4.794 4.340 0.001 0.000 0.231 691 R C 2.247 178.642 176.300 0.160 0.000 0.913 691 R CA 0.405 56.548 56.100 0.072 0.000 1.075 691 R CB -0.298 30.043 30.300 0.068 0.000 1.087 691 R HN 0.468 nan 8.270 nan 0.000 0.515 692 A N 1.857 124.719 122.820 0.070 0.000 1.909 692 A HA -0.338 3.983 4.320 0.001 0.000 0.221 692 A C 2.036 179.700 177.584 0.133 0.000 1.223 692 A CA 2.165 54.208 52.037 0.010 0.000 0.658 692 A CB -0.425 18.522 19.000 -0.088 0.000 0.831 692 A HN 0.297 nan 8.150 nan 0.000 0.462 693 E N 0.489 120.742 120.200 0.088 0.000 2.147 693 E HA -0.201 4.150 4.350 0.001 0.000 0.199 693 E C 1.522 178.186 176.600 0.107 0.000 1.005 693 E CA 1.737 58.187 56.400 0.083 0.000 0.810 693 E CB -0.301 29.429 29.700 0.050 0.000 0.736 693 E HN 0.644 nan 8.360 nan 0.000 0.460 694 N N -0.552 118.212 118.700 0.107 0.000 2.550 694 N HA -0.098 4.642 4.740 0.001 0.000 0.186 694 N C 0.724 176.235 175.510 0.002 0.000 1.110 694 N CA 0.489 53.557 53.050 0.031 0.000 0.912 694 N CB -0.196 38.265 38.487 -0.044 0.000 0.968 694 N HN 0.265 nan 8.380 nan 0.000 0.448 695 F N 1.089 121.000 119.950 -0.066 0.000 2.748 695 F HA 0.106 4.634 4.527 0.001 0.000 0.299 695 F C 1.996 177.801 175.800 0.009 0.000 1.154 695 F CA 0.286 58.243 58.000 -0.071 0.000 1.446 695 F CB 0.224 39.135 39.000 -0.147 0.000 1.112 695 F HN -0.092 nan 8.300 nan 0.000 0.584 696 K N 0.085 120.588 120.400 0.173 0.000 2.211 696 K HA -0.174 4.146 4.320 0.001 0.000 0.204 696 K C 1.339 178.005 176.600 0.110 0.000 1.047 696 K CA 1.089 57.457 56.287 0.135 0.000 0.935 696 K CB -0.094 32.465 32.500 0.097 0.000 0.728 696 K HN 0.376 nan 8.250 nan 0.000 0.452 697 Q N 0.418 120.265 119.800 0.078 0.000 2.222 697 Q HA 0.063 4.404 4.340 0.001 0.000 0.206 697 Q C -0.265 175.782 176.000 0.079 0.000 0.877 697 Q CA -0.077 55.766 55.803 0.066 0.000 0.958 697 Q CB 0.823 29.584 28.738 0.038 0.000 1.075 697 Q HN 0.104 nan 8.270 nan 0.000 0.483 698 V N -3.414 116.566 119.914 0.110 0.000 3.130 698 V HA 0.518 4.639 4.120 0.001 0.000 0.310 698 V C -1.151 175.089 176.094 0.243 0.000 1.158 698 V CA -1.234 61.153 62.300 0.145 0.000 1.029 698 V CB 2.424 34.295 31.823 0.080 0.000 1.057 698 V HN -0.005 nan 8.190 nan 0.000 0.436 699 E N 1.584 121.958 120.200 0.289 0.000 2.156 699 E HA 0.486 4.836 4.350 0.001 0.000 0.279 699 E C -1.897 175.074 176.600 0.619 0.000 0.965 699 E CA -0.396 56.251 56.400 0.410 0.000 0.789 699 E CB 1.876 31.756 29.700 0.299 0.000 1.098 699 E HN 0.702 nan 8.360 nan 0.000 0.397 700 Y N 3.479 124.042 120.300 0.437 0.000 2.391 700 Y HA 0.454 5.005 4.550 0.001 0.000 0.341 700 Y C -1.745 174.242 175.900 0.145 0.000 0.965 700 Y CA -1.445 56.852 58.100 0.327 0.000 1.067 700 Y CB 1.061 39.756 38.460 0.391 0.000 1.199 700 Y HN 0.421 nan 8.280 nan 0.000 0.450 701 L N 7.766 128.738 121.223 -0.417 0.000 2.325 701 L HA 0.618 4.959 4.340 0.001 0.000 0.281 701 L C -2.169 174.267 176.870 -0.723 0.000 1.004 701 L CA -0.818 53.628 54.840 -0.657 0.000 0.823 701 L CB 1.333 42.691 42.059 -1.167 0.000 1.236 701 L HN 0.659 nan 8.230 nan 0.000 0.415 702 L N 6.638 127.520 121.223 -0.567 0.000 2.313 702 L HA 0.700 5.041 4.340 0.001 0.000 0.283 702 L C -1.127 175.628 176.870 -0.192 0.000 1.013 702 L CA -0.026 54.526 54.840 -0.480 0.000 0.816 702 L CB 1.168 42.959 42.059 -0.446 0.000 1.236 702 L HN 0.594 nan 8.230 nan 0.000 0.419 703 I N 4.388 124.860 120.570 -0.163 0.000 2.608 703 I HA 0.493 4.664 4.170 0.001 0.000 0.295 703 I C -1.180 174.941 176.117 0.006 0.000 1.049 703 I CA -0.772 60.486 61.300 -0.069 0.000 1.063 703 I CB 2.131 40.052 38.000 -0.132 0.000 1.248 703 I HN 0.693 nan 8.210 nan 0.000 0.424 704 H N 1.875 121.001 119.070 0.093 0.000 3.140 704 H HA 0.418 4.975 4.556 0.001 0.000 0.336 704 H C -0.483 175.084 175.328 0.397 0.000 1.142 704 H CA -0.597 55.562 56.048 0.185 0.000 1.308 704 H CB 1.882 31.703 29.762 0.098 0.000 1.970 704 H HN 0.762 nan 8.280 nan 0.000 0.521 705 G N 1.157 110.312 108.800 0.591 0.000 2.370 705 G HA2 0.222 4.183 3.960 0.001 0.000 0.272 705 G HA3 0.222 4.183 3.960 0.001 0.000 0.272 705 G C 1.181 176.358 174.900 0.462 0.000 1.208 705 G CA 0.140 45.536 45.100 0.494 0.000 0.856 705 G HN 0.751 nan 8.290 nan 0.000 0.500 706 T N -0.385 114.288 114.554 0.198 0.000 2.929 706 T HA 0.000 4.351 4.350 0.001 0.000 0.271 706 T C 1.702 176.382 174.700 -0.035 0.000 1.085 706 T CA 1.353 63.382 62.100 -0.118 0.000 1.125 706 T CB 0.101 68.825 68.868 -0.240 0.000 0.874 706 T HN 0.703 nan 8.240 nan 0.000 0.494 707 A N 1.081 123.948 122.820 0.079 0.000 2.833 707 A HA 0.316 4.637 4.320 0.001 0.000 0.293 707 A C 0.330 177.876 177.584 -0.063 0.000 1.338 707 A CA -0.528 51.521 52.037 0.020 0.000 0.959 707 A CB -0.321 18.941 19.000 0.436 0.000 1.094 707 A HN 0.380 nan 8.150 nan 0.000 0.569 708 D N 1.387 121.770 120.400 -0.030 0.000 2.336 708 D HA 0.020 4.661 4.640 0.001 0.000 0.249 708 D C 0.330 176.605 176.300 -0.041 0.000 1.213 708 D CA 0.011 54.100 54.000 0.148 0.000 0.870 708 D CB 0.752 41.797 40.800 0.408 0.000 1.076 708 D HN 0.563 nan 8.370 nan 0.000 0.483 709 D N 2.389 122.818 120.400 0.049 0.000 2.348 709 D HA -0.133 4.508 4.640 0.001 0.000 0.211 709 D C 0.939 177.247 176.300 0.013 0.000 0.998 709 D CA -0.068 53.935 54.000 0.005 0.000 0.873 709 D CB 0.452 41.240 40.800 -0.020 0.000 0.925 709 D HN 0.215 nan 8.370 nan 0.000 0.524 710 N N 0.903 119.687 118.700 0.140 0.000 2.335 710 N HA -0.054 4.687 4.740 0.001 0.000 0.197 710 N C -0.029 175.426 175.510 -0.092 0.000 1.045 710 N CA 0.570 53.729 53.050 0.182 0.000 0.928 710 N CB 0.304 38.890 38.487 0.164 0.000 1.118 710 N HN -0.102 nan 8.380 nan 0.000 0.471 711 V N 3.912 123.772 119.914 -0.091 0.000 2.288 711 V HA 0.193 4.314 4.120 0.001 0.000 0.266 711 V C -0.564 175.568 176.094 0.064 0.000 1.048 711 V CA -0.684 61.599 62.300 -0.029 0.000 0.842 711 V CB -0.023 31.833 31.823 0.055 0.000 1.064 711 V HN 0.318 nan 8.190 nan 0.000 0.472 712 H N 3.432 122.488 119.070 -0.023 0.000 2.948 712 H HA -0.020 4.537 4.556 0.001 0.000 0.351 712 H C 0.922 176.119 175.328 -0.217 0.000 1.079 712 H CA -0.127 55.836 56.048 -0.143 0.000 1.407 712 H CB 0.545 30.139 29.762 -0.281 0.000 1.373 712 H HN 0.615 nan 8.280 nan 0.000 0.605 713 F N 1.975 121.751 119.950 -0.291 0.000 2.184 713 F HA -0.298 4.230 4.527 0.001 0.000 0.301 713 F C 2.584 178.110 175.800 -0.457 0.000 1.076 713 F CA 1.959 59.583 58.000 -0.627 0.000 1.295 713 F CB -0.101 38.703 39.000 -0.326 0.000 1.026 713 F HN 0.672 nan 8.300 nan 0.000 0.494 714 Q N 0.211 119.865 119.800 -0.243 0.000 2.118 714 Q HA -0.329 4.012 4.340 0.001 0.000 0.211 714 Q C 2.096 177.842 176.000 -0.424 0.000 0.998 714 Q CA 2.438 58.042 55.803 -0.332 0.000 0.872 714 Q CB -0.425 28.085 28.738 -0.380 0.000 0.925 714 Q HN 0.595 nan 8.270 nan 0.000 0.414 715 Q N -0.292 119.306 119.800 -0.337 0.000 2.096 715 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 715 Q C 2.275 178.157 176.000 -0.197 0.000 0.982 715 Q CA 1.767 57.491 55.803 -0.133 0.000 0.850 715 Q CB -0.146 28.593 28.738 0.000 0.000 0.901 715 Q HN 0.340 nan 8.270 nan 0.000 0.422 716 S N 0.438 115.894 115.700 -0.407 0.000 2.414 716 S HA 0.010 4.480 4.470 0.001 0.000 0.227 716 S C 2.010 176.337 174.600 -0.455 0.000 1.022 716 S CA 0.683 58.646 58.200 -0.394 0.000 0.958 716 S CB -0.057 62.875 63.200 -0.447 0.000 0.797 716 S HN 0.473 nan 8.310 nan 0.000 0.493 717 A N 1.221 123.673 122.820 -0.613 0.000 1.972 717 A HA -0.115 4.206 4.320 0.001 0.000 0.219 717 A C 2.092 179.563 177.584 -0.188 0.000 1.169 717 A CA 1.095 52.919 52.037 -0.356 0.000 0.635 717 A CB -0.356 18.499 19.000 -0.242 0.000 0.810 717 A HN 0.362 nan 8.150 nan 0.000 0.446 718 Q N -0.523 119.175 119.800 -0.170 0.000 2.187 718 Q HA 0.039 4.380 4.340 0.001 0.000 0.199 718 Q C 2.078 178.021 176.000 -0.095 0.000 0.957 718 Q CA 0.851 56.610 55.803 -0.074 0.000 0.857 718 Q CB -0.234 28.532 28.738 0.046 0.000 0.929 718 Q HN 0.781 nan 8.270 nan 0.000 0.453 719 I N 1.039 121.524 120.570 -0.141 0.000 2.202 719 I HA -0.257 3.914 4.170 0.001 0.000 0.242 719 I C 2.521 178.467 176.117 -0.284 0.000 1.091 719 I CA 1.398 62.576 61.300 -0.203 0.000 1.368 719 I CB -0.438 37.448 38.000 -0.189 0.000 1.058 719 I HN 0.172 nan 8.210 nan 0.000 0.410 720 S N 1.023 116.577 115.700 -0.244 0.000 2.368 720 S HA -0.282 4.189 4.470 0.001 0.000 0.225 720 S C 2.035 176.596 174.600 -0.066 0.000 1.030 720 S CA 1.480 59.562 58.200 -0.197 0.000 0.999 720 S CB -0.485 62.766 63.200 0.085 0.000 0.844 720 S HN 0.375 nan 8.310 nan 0.000 0.459 721 K N 1.701 122.070 120.400 -0.050 0.000 2.097 721 K HA 0.035 4.356 4.320 0.001 0.000 0.206 721 K C 2.233 178.811 176.600 -0.037 0.000 1.049 721 K CA 1.124 57.400 56.287 -0.017 0.000 0.933 721 K CB -0.618 31.869 32.500 -0.021 0.000 0.717 721 K HN 0.463 nan 8.250 nan 0.000 0.442 722 A N 0.876 123.644 122.820 -0.087 0.000 1.968 722 A HA -0.050 4.271 4.320 0.001 0.000 0.217 722 A C 2.029 179.546 177.584 -0.111 0.000 1.169 722 A CA 0.991 52.973 52.037 -0.092 0.000 0.638 722 A CB -0.427 18.504 19.000 -0.115 0.000 0.812 722 A HN 0.303 nan 8.150 nan 0.000 0.446 723 L N -0.705 120.404 121.223 -0.191 0.000 2.109 723 L HA -0.115 4.226 4.340 0.001 0.000 0.207 723 L C 2.480 179.365 176.870 0.026 0.000 1.086 723 L CA 0.768 55.500 54.840 -0.179 0.000 0.760 723 L CB -0.498 41.281 42.059 -0.467 0.000 0.910 723 L HN 0.229 nan 8.230 nan 0.000 0.437 724 V N -0.133 119.832 119.914 0.085 0.000 2.295 724 V HA -0.281 3.839 4.120 0.001 0.000 0.246 724 V C 1.989 178.119 176.094 0.062 0.000 1.049 724 V CA 1.864 64.238 62.300 0.123 0.000 1.024 724 V CB -0.493 31.401 31.823 0.117 0.000 0.648 724 V HN 0.420 nan 8.190 nan 0.000 0.447 725 D N 0.328 120.745 120.400 0.029 0.000 2.265 725 D HA -0.108 4.533 4.640 0.001 0.000 0.208 725 D C 1.643 177.955 176.300 0.020 0.000 0.977 725 D CA 1.623 55.634 54.000 0.019 0.000 0.871 725 D CB -0.098 40.705 40.800 0.004 0.000 0.925 725 D HN 0.567 nan 8.370 nan 0.000 0.485 726 V N -3.947 115.980 119.914 0.022 0.000 3.376 726 V HA 0.523 4.644 4.120 0.001 0.000 0.313 726 V C 1.208 177.330 176.094 0.047 0.000 1.393 726 V CA 0.131 62.449 62.300 0.029 0.000 1.125 726 V CB -0.049 31.788 31.823 0.024 0.000 1.037 726 V HN 0.117 nan 8.190 nan 0.000 0.440 727 G N 0.578 109.413 108.800 0.059 0.000 2.273 727 G HA2 -0.192 3.768 3.960 0.001 0.000 0.280 727 G HA3 -0.192 3.768 3.960 0.001 0.000 0.280 727 G C -0.055 174.905 174.900 0.099 0.000 1.047 727 G CA 0.334 45.478 45.100 0.073 0.000 0.869 727 G HN 0.839 nan 8.290 nan 0.000 0.502 728 V N 0.451 120.443 119.914 0.129 0.000 2.394 728 V HA 0.454 4.575 4.120 0.001 0.000 0.282 728 V C 0.444 176.710 176.094 0.287 0.000 1.031 728 V CA -0.472 61.935 62.300 0.177 0.000 0.881 728 V CB 1.737 33.653 31.823 0.154 0.000 0.982 728 V HN 0.458 nan 8.190 nan 0.000 0.451 729 D N 3.985 124.532 120.400 0.245 0.000 2.304 729 D HA 0.610 5.251 4.640 0.001 0.000 0.247 729 D C -0.547 175.979 176.300 0.375 0.000 1.089 729 D CA 0.154 54.285 54.000 0.219 0.000 0.910 729 D CB 0.845 41.712 40.800 0.112 0.000 1.199 729 D HN 0.376 nan 8.370 nan 0.000 0.426 730 F N -0.587 119.436 119.950 0.122 0.000 2.817 730 F HA 0.451 4.979 4.527 0.001 0.000 0.317 730 F C -1.598 174.256 175.800 0.090 0.000 1.168 730 F CA -1.175 56.921 58.000 0.158 0.000 0.911 730 F CB 0.781 39.908 39.000 0.211 0.000 1.337 730 F HN 0.075 nan 8.300 nan 0.000 0.464 731 Q N 1.472 121.335 119.800 0.106 0.000 2.235 731 Q HA 0.823 5.164 4.340 0.001 0.000 0.256 731 Q C -0.839 175.150 176.000 -0.019 0.000 0.951 731 Q CA -0.782 54.995 55.803 -0.044 0.000 0.890 731 Q CB 2.016 30.760 28.738 0.010 0.000 1.279 731 Q HN 1.042 nan 8.270 nan 0.000 0.444 732 A N 1.668 124.450 122.820 -0.063 0.000 2.556 732 A HA 0.861 5.182 4.320 0.001 0.000 0.294 732 A C -1.339 176.202 177.584 -0.072 0.000 1.091 732 A CA -0.590 51.449 52.037 0.003 0.000 0.704 732 A CB 1.997 21.068 19.000 0.118 0.000 1.300 732 A HN 0.624 nan 8.150 nan 0.000 0.406 733 M N 1.247 120.791 119.600 -0.093 0.000 2.294 733 M HA 0.583 5.063 4.480 0.001 0.000 0.280 733 M C -2.101 174.065 176.300 -0.223 0.000 1.085 733 M CA -0.496 54.600 55.300 -0.339 0.000 0.969 733 M CB 1.173 33.492 32.600 -0.469 0.000 1.770 733 M HN 0.976 nan 8.290 nan 0.000 0.485 734 W N 4.193 125.321 121.300 -0.286 0.000 2.570 734 W HA 0.780 5.441 4.660 0.001 0.000 0.337 734 W C -2.049 174.188 176.519 -0.470 0.000 1.067 734 W CA -0.923 56.330 57.345 -0.153 0.000 1.229 734 W CB 0.412 29.834 29.460 -0.063 0.000 1.355 734 W HN 0.619 nan 8.180 nan 0.000 0.555 735 Y N 2.402 122.812 120.300 0.183 0.000 2.388 735 Y HA 0.302 4.853 4.550 0.001 0.000 0.328 735 Y C 0.559 176.556 175.900 0.163 0.000 0.963 735 Y CA -0.965 57.162 58.100 0.045 0.000 1.240 735 Y CB 1.613 40.085 38.460 0.021 0.000 1.118 735 Y HN 0.413 nan 8.280 nan 0.000 0.484 736 T N 4.758 119.459 114.554 0.244 0.000 2.831 736 T HA -0.030 4.321 4.350 0.001 0.000 0.291 736 T C 0.141 174.909 174.700 0.113 0.000 0.981 736 T CA 0.594 62.796 62.100 0.171 0.000 1.174 736 T CB -0.149 68.762 68.868 0.072 0.000 0.929 736 T HN 0.725 nan 8.240 nan 0.000 0.532 737 D N 0.872 121.313 120.400 0.068 0.000 3.079 737 D HA -0.122 4.519 4.640 0.001 0.000 0.214 737 D C 0.237 176.663 176.300 0.211 0.000 1.145 737 D CA 1.116 55.101 54.000 -0.026 0.000 0.958 737 D CB -0.393 40.199 40.800 -0.347 0.000 1.117 737 D HN 0.544 nan 8.370 nan 0.000 0.416 738 E N 0.931 121.276 120.200 0.242 0.000 2.277 738 E HA 0.334 4.684 4.350 0.001 0.000 0.274 738 E C 0.733 177.518 176.600 0.308 0.000 1.022 738 E CA -0.303 56.261 56.400 0.272 0.000 0.853 738 E CB 1.244 31.095 29.700 0.252 0.000 1.086 738 E HN 0.337 nan 8.360 nan 0.000 0.397 739 D N -0.213 120.382 120.400 0.325 0.000 2.511 739 D HA -0.011 4.630 4.640 0.001 0.000 0.283 739 D C 1.086 177.624 176.300 0.396 0.000 1.198 739 D CA -0.140 54.074 54.000 0.356 0.000 1.097 739 D CB -0.167 40.866 40.800 0.388 0.000 1.160 739 D HN 0.412 nan 8.370 nan 0.000 0.589 740 H N -1.671 117.586 119.070 0.313 0.000 2.489 740 H HA 0.094 4.651 4.556 0.001 0.000 0.293 740 H C 1.872 177.466 175.328 0.444 0.000 1.066 740 H CA 2.025 58.283 56.048 0.350 0.000 1.305 740 H CB -0.344 29.603 29.762 0.309 0.000 1.386 740 H HN 0.484 nan 8.280 nan 0.000 0.551 741 G N -0.417 108.582 108.800 0.331 0.000 2.683 741 G HA2 0.016 3.977 3.960 0.001 0.000 0.213 741 G HA3 0.016 3.977 3.960 0.001 0.000 0.213 741 G C 0.710 175.801 174.900 0.319 0.000 1.142 741 G CA 0.264 45.480 45.100 0.193 0.000 0.793 741 G HN 0.506 nan 8.290 nan 0.000 0.534 742 I N 0.188 120.971 120.570 0.355 0.000 5.158 742 I HA -0.338 3.832 4.170 0.001 0.000 0.126 742 I C 1.633 177.886 176.117 0.227 0.000 1.344 742 I CA 0.177 61.634 61.300 0.262 0.000 2.637 742 I CB -1.148 36.990 38.000 0.231 0.000 2.338 742 I HN 0.269 nan 8.210 nan 0.000 0.320 743 A N 0.836 123.757 122.820 0.168 0.000 2.348 743 A HA 0.248 4.569 4.320 0.001 0.000 0.224 743 A C 1.228 178.853 177.584 0.068 0.000 1.227 743 A CA 0.563 52.654 52.037 0.089 0.000 0.885 743 A CB 0.093 19.107 19.000 0.024 0.000 0.933 743 A HN 0.636 nan 8.150 nan 0.000 0.506 744 S N -0.266 115.494 115.700 0.100 0.000 2.563 744 S HA 0.118 4.588 4.470 0.001 0.000 0.284 744 S C 1.221 175.873 174.600 0.088 0.000 1.331 744 S CA 0.352 58.605 58.200 0.088 0.000 1.047 744 S CB 1.012 64.273 63.200 0.103 0.000 0.859 744 S HN 0.515 nan 8.310 nan 0.000 0.514 745 S N 2.248 117.989 115.700 0.067 0.000 2.365 745 S HA -0.199 4.272 4.470 0.001 0.000 0.225 745 S C 2.070 176.732 174.600 0.105 0.000 1.039 745 S CA 2.311 60.557 58.200 0.077 0.000 1.033 745 S CB -1.579 61.648 63.200 0.044 0.000 0.887 745 S HN 1.049 nan 8.310 nan 0.000 0.447 746 T N -0.131 114.472 114.554 0.083 0.000 2.812 746 T HA 0.176 4.527 4.350 0.001 0.000 0.264 746 T C 2.027 176.781 174.700 0.091 0.000 1.042 746 T CA 1.305 63.455 62.100 0.083 0.000 1.140 746 T CB -1.027 67.881 68.868 0.068 0.000 0.870 746 T HN 0.476 nan 8.240 nan 0.000 0.445 747 A N 1.631 124.484 122.820 0.054 0.000 1.902 747 A HA -0.138 4.183 4.320 0.001 0.000 0.217 747 A C 2.213 179.739 177.584 -0.096 0.000 1.181 747 A CA 2.173 54.164 52.037 -0.078 0.000 0.623 747 A CB -1.305 17.615 19.000 -0.134 0.000 0.818 747 A HN 0.759 nan 8.150 nan 0.000 0.443 748 H N -0.127 118.922 119.070 -0.036 0.000 2.290 748 H HA -0.165 4.391 4.556 0.001 0.000 0.298 748 H C 2.127 177.525 175.328 0.117 0.000 1.087 748 H CA 2.428 58.517 56.048 0.069 0.000 1.291 748 H CB -0.299 29.514 29.762 0.084 0.000 1.369 748 H HN 0.591 nan 8.280 nan 0.000 0.492 749 Q N -0.999 118.799 119.800 -0.003 0.000 2.084 749 Q HA -0.203 4.138 4.340 0.001 0.000 0.202 749 Q C 2.296 178.276 176.000 -0.032 0.000 0.978 749 Q CA 1.418 57.179 55.803 -0.069 0.000 0.844 749 Q CB -0.249 28.489 28.738 0.000 0.000 0.898 749 Q HN 0.638 nan 8.270 nan 0.000 0.426 750 H N 0.699 119.739 119.070 -0.051 0.000 2.353 750 H HA -0.099 4.458 4.556 0.001 0.000 0.300 750 H C 2.056 177.378 175.328 -0.009 0.000 1.090 750 H CA 1.451 57.501 56.048 0.003 0.000 1.327 750 H CB -0.053 29.760 29.762 0.085 0.000 1.383 750 H HN 0.285 nan 8.280 nan 0.000 0.508 751 I N 0.050 120.590 120.570 -0.050 0.000 2.202 751 I HA -0.329 3.842 4.170 0.001 0.000 0.242 751 I C 1.878 177.780 176.117 -0.359 0.000 1.091 751 I CA 1.280 62.471 61.300 -0.181 0.000 1.368 751 I CB -0.298 37.404 38.000 -0.496 0.000 1.058 751 I HN 0.124 nan 8.210 nan 0.000 0.410 752 Y N 1.003 121.101 120.300 -0.337 0.000 2.274 752 Y HA -0.219 4.332 4.550 0.001 0.000 0.290 752 Y C 2.723 178.415 175.900 -0.346 0.000 1.145 752 Y CA 1.885 59.670 58.100 -0.525 0.000 1.203 752 Y CB -0.943 37.209 38.460 -0.514 0.000 0.984 752 Y HN 0.182 nan 8.280 nan 0.000 0.533 753 T N -1.738 112.741 114.554 -0.125 0.000 2.777 753 T HA -0.221 4.129 4.350 0.001 0.000 0.266 753 T C 1.578 176.184 174.700 -0.157 0.000 1.040 753 T CA 1.837 63.834 62.100 -0.172 0.000 1.141 753 T CB -0.431 68.338 68.868 -0.166 0.000 0.868 753 T HN 0.407 nan 8.240 nan 0.000 0.444 754 H N 0.854 119.820 119.070 -0.174 0.000 2.357 754 H HA 0.134 4.690 4.556 0.001 0.000 0.301 754 H C 2.135 177.462 175.328 -0.000 0.000 1.082 754 H CA 1.480 57.502 56.048 -0.042 0.000 1.342 754 H CB -0.244 29.481 29.762 -0.062 0.000 1.389 754 H HN 0.259 nan 8.280 nan 0.000 0.511 755 M N -0.888 118.646 119.600 -0.112 0.000 2.175 755 M HA -0.139 4.342 4.480 0.001 0.000 0.264 755 M C 2.373 178.771 176.300 0.164 0.000 1.063 755 M CA 1.346 56.580 55.300 -0.110 0.000 1.119 755 M CB 0.054 32.364 32.600 -0.483 0.000 1.377 755 M HN 0.194 nan 8.290 nan 0.000 0.415 756 S N -0.529 115.284 115.700 0.188 0.000 2.356 756 S HA -0.156 4.315 4.470 0.001 0.000 0.223 756 S C 1.706 176.391 174.600 0.141 0.000 1.032 756 S CA 1.037 59.436 58.200 0.332 0.000 1.005 756 S CB -0.608 62.764 63.200 0.287 0.000 0.867 756 S HN 0.465 nan 8.310 nan 0.000 0.449 757 H N -0.058 119.073 119.070 0.102 0.000 2.352 757 H HA -0.076 4.481 4.556 0.001 0.000 0.299 757 H C 1.991 177.324 175.328 0.007 0.000 1.097 757 H CA 1.434 57.500 56.048 0.031 0.000 1.311 757 H CB -0.754 28.987 29.762 -0.035 0.000 1.377 757 H HN 0.442 nan 8.280 nan 0.000 0.504 758 F N 1.191 121.130 119.950 -0.019 0.000 2.102 758 F HA -0.185 4.343 4.527 0.001 0.000 0.298 758 F C 2.338 178.092 175.800 -0.076 0.000 1.105 758 F CA 0.902 58.858 58.000 -0.073 0.000 1.239 758 F CB -0.268 38.656 39.000 -0.126 0.000 0.991 758 F HN -0.041 nan 8.300 nan 0.000 0.474 759 I N 0.648 121.233 120.570 0.024 0.000 2.179 759 I HA -0.277 3.894 4.170 0.001 0.000 0.242 759 I C 2.251 178.168 176.117 -0.332 0.000 1.088 759 I CA 1.518 62.669 61.300 -0.248 0.000 1.357 759 I CB -1.339 36.593 38.000 -0.114 0.000 1.051 759 I HN 0.201 nan 8.210 nan 0.000 0.409 760 K N 0.265 120.619 120.400 -0.077 0.000 2.063 760 K HA -0.240 4.081 4.320 0.001 0.000 0.208 760 K C 2.129 178.719 176.600 -0.018 0.000 1.048 760 K CA 1.313 57.611 56.287 0.018 0.000 0.928 760 K CB -0.283 32.273 32.500 0.094 0.000 0.713 760 K HN 0.309 nan 8.250 nan 0.000 0.442 761 Q N 1.341 121.089 119.800 -0.086 0.000 2.084 761 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 761 Q C 2.258 178.158 176.000 -0.167 0.000 0.978 761 Q CA 1.917 57.652 55.803 -0.114 0.000 0.844 761 Q CB -0.700 27.947 28.738 -0.151 0.000 0.898 761 Q HN 0.440 nan 8.270 nan 0.000 0.426 762 c N 0.179 118.574 118.600 -0.342 0.000 2.425 762 c HA -0.072 4.498 4.570 0.001 0.000 0.277 762 c C 2.159 176.257 174.090 0.013 0.000 1.280 762 c CA 0.419 56.568 56.329 -0.301 0.000 1.744 762 c CB -1.355 40.825 42.510 -0.551 0.000 1.989 762 c HN 0.515 nan 8.230 nan 0.000 0.491 763 F N 1.698 121.613 119.950 -0.059 0.000 2.765 763 F HA 0.251 4.779 4.527 0.001 0.000 0.302 763 F C 1.633 177.419 175.800 -0.023 0.000 1.111 763 F CA 0.384 58.370 58.000 -0.024 0.000 1.359 763 F CB -1.179 37.816 39.000 -0.010 0.000 1.097 763 F HN 0.223 nan 8.300 nan 0.000 0.577 764 S N 0.893 116.676 115.700 0.138 0.000 3.682 764 S HA -0.198 4.272 4.470 0.001 0.000 0.354 764 S C -0.072 174.574 174.600 0.077 0.000 1.034 764 S CA 0.097 58.342 58.200 0.074 0.000 1.084 764 S CB -2.161 61.071 63.200 0.054 0.000 0.903 764 S HN 0.240 nan 8.310 nan 0.000 0.470 765 L N 0.819 122.101 121.223 0.098 0.000 2.282 765 L HA 0.461 4.801 4.340 0.001 0.000 0.288 765 L C -1.410 175.504 176.870 0.074 0.000 1.033 765 L CA -2.192 52.701 54.840 0.088 0.000 0.807 765 L CB 0.496 42.627 42.059 0.120 0.000 1.209 765 L HN 0.016 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.059 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726