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 2g63_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.647 174.600 0.079 0.000 1.055 39 S CA 0.000 58.244 58.200 0.073 0.000 1.107 39 S CB 0.000 63.263 63.200 0.105 0.000 0.593 40 R N 1.959 122.506 120.500 0.078 0.000 3.523 40 R HA 0.228 4.569 4.340 0.002 0.000 0.242 40 R C 0.681 177.034 176.300 0.088 0.000 0.921 40 R CA 0.011 56.157 56.100 0.078 0.000 1.145 40 R CB -0.585 29.760 30.300 0.076 0.000 0.953 40 R HN 0.815 nan 8.270 nan 0.000 0.461 41 K N -0.439 120.019 120.400 0.095 0.000 2.155 41 K HA 0.232 4.553 4.320 0.002 0.000 0.237 41 K C -0.303 176.367 176.600 0.117 0.000 1.040 41 K CA -0.184 56.168 56.287 0.108 0.000 0.912 41 K CB 0.497 33.068 32.500 0.120 0.000 1.137 41 K HN 0.847 nan 8.250 nan 0.000 0.498 42 T N -2.916 111.719 114.554 0.134 0.000 2.938 42 T HA 0.263 4.614 4.350 0.002 0.000 0.285 42 T C -0.686 174.144 174.700 0.217 0.000 1.028 42 T CA -0.765 61.427 62.100 0.154 0.000 1.005 42 T CB 0.526 69.482 68.868 0.147 0.000 1.157 42 T HN 0.475 nan 8.240 nan 0.000 0.550 43 Y N 2.650 123.016 120.300 0.111 0.000 2.539 43 Y HA 0.387 4.938 4.550 0.002 0.000 0.352 43 Y C 0.950 177.008 175.900 0.263 0.000 1.004 43 Y CA -0.395 57.809 58.100 0.173 0.000 1.278 43 Y CB -0.249 38.271 38.460 0.101 0.000 1.136 43 Y HN 1.004 nan 8.280 nan 0.000 0.528 44 T N 2.285 116.838 114.554 -0.001 0.000 2.824 44 T HA 0.116 4.467 4.350 0.002 0.000 0.277 44 T C 1.006 175.580 174.700 -0.209 0.000 0.975 44 T CA -0.674 61.452 62.100 0.043 0.000 0.966 44 T CB 1.149 70.021 68.868 0.007 0.000 1.054 44 T HN 0.683 nan 8.240 nan 0.000 0.533 45 L N 0.891 121.819 121.223 -0.491 0.000 2.046 45 L HA 0.031 4.372 4.340 0.002 0.000 0.208 45 L C 2.612 179.330 176.870 -0.253 0.000 1.077 45 L CA 2.097 56.538 54.840 -0.665 0.000 0.747 45 L CB -1.482 40.057 42.059 -0.866 0.000 0.896 45 L HN 0.949 nan 8.230 nan 0.000 0.432 46 T N -0.533 113.898 114.554 -0.205 0.000 2.788 46 T HA -0.151 4.200 4.350 0.002 0.000 0.268 46 T C 1.487 176.092 174.700 -0.157 0.000 1.044 46 T CA 1.415 63.429 62.100 -0.144 0.000 1.139 46 T CB -0.349 68.458 68.868 -0.102 0.000 0.867 46 T HN 0.407 nan 8.240 nan 0.000 0.454 47 D N 0.154 120.426 120.400 -0.214 0.000 2.117 47 D HA -0.090 4.551 4.640 0.002 0.000 0.197 47 D C 1.756 177.944 176.300 -0.187 0.000 0.987 47 D CA 1.037 54.880 54.000 -0.262 0.000 0.829 47 D CB -0.336 40.218 40.800 -0.410 0.000 0.961 47 D HN 0.422 nan 8.370 nan 0.000 0.460 48 Y N 1.540 121.641 120.300 -0.332 0.000 2.163 48 Y HA -0.095 4.456 4.550 0.001 0.000 0.288 48 Y C 2.161 178.066 175.900 0.008 0.000 1.136 48 Y CA 1.216 59.299 58.100 -0.028 0.000 1.147 48 Y CB -0.547 37.961 38.460 0.081 0.000 0.987 48 Y HN -0.105 nan 8.280 nan 0.000 0.509 49 L N -0.095 120.947 121.223 -0.302 0.000 2.217 49 L HA -0.117 4.224 4.340 0.002 0.000 0.211 49 L C 1.804 178.565 176.870 -0.182 0.000 1.107 49 L CA 1.086 55.729 54.840 -0.329 0.000 0.783 49 L CB -0.380 41.561 42.059 -0.197 0.000 0.919 49 L HN 0.041 nan 8.230 nan 0.000 0.442 50 K N -0.094 120.222 120.400 -0.140 0.000 2.358 50 K HA 0.078 4.399 4.320 0.002 0.000 0.197 50 K C -0.018 176.529 176.600 -0.087 0.000 1.025 50 K CA -0.131 56.096 56.287 -0.100 0.000 1.104 50 K CB -0.248 32.195 32.500 -0.094 0.000 0.855 50 K HN 0.257 nan 8.250 nan 0.000 0.531 51 N N 1.847 120.503 118.700 -0.074 0.000 2.667 51 N HA -0.219 4.522 4.740 0.002 0.000 0.263 51 N C 0.535 176.021 175.510 -0.039 0.000 1.038 51 N CA 0.422 53.469 53.050 -0.005 0.000 0.749 51 N CB -0.266 38.218 38.487 -0.006 0.000 0.892 51 N HN 0.332 nan 8.380 nan 0.000 0.546 52 T N -2.307 112.170 114.554 -0.129 0.000 2.985 52 T HA -0.081 4.270 4.350 0.002 0.000 0.266 52 T C 0.426 174.875 174.700 -0.419 0.000 1.076 52 T CA 0.947 62.849 62.100 -0.331 0.000 1.135 52 T CB -0.045 68.495 68.868 -0.547 0.000 0.890 52 T HN 0.349 nan 8.240 nan 0.000 0.480 53 Y N 1.808 122.202 120.300 0.155 0.000 2.587 53 Y HA 0.646 5.197 4.550 0.002 0.000 0.328 53 Y C 0.348 176.356 175.900 0.179 0.000 0.980 53 Y CA -1.829 56.383 58.100 0.188 0.000 1.272 53 Y CB 0.622 39.254 38.460 0.286 0.000 1.094 53 Y HN 0.011 nan 8.280 nan 0.000 0.503 54 R N 2.485 123.117 120.500 0.220 0.000 2.357 54 R HA 0.503 4.844 4.340 0.002 0.000 0.296 54 R C -1.109 175.298 176.300 0.177 0.000 1.052 54 R CA -0.267 55.935 56.100 0.169 0.000 0.988 54 R CB 0.531 30.890 30.300 0.098 0.000 1.025 54 R HN 0.715 nan 8.270 nan 0.000 0.469 55 L N 4.489 125.817 121.223 0.175 0.000 2.305 55 L HA 0.339 4.680 4.340 0.002 0.000 0.281 55 L C 0.163 177.114 176.870 0.135 0.000 1.085 55 L CA -0.277 54.667 54.840 0.174 0.000 0.813 55 L CB 1.235 43.417 42.059 0.205 0.000 1.157 55 L HN 0.563 nan 8.230 nan 0.000 0.436 56 K N 4.596 125.073 120.400 0.129 0.000 2.143 56 K HA 0.627 4.948 4.320 0.002 0.000 0.272 56 K C -0.801 175.858 176.600 0.098 0.000 1.001 56 K CA -0.493 55.851 56.287 0.094 0.000 0.915 56 K CB 1.484 34.034 32.500 0.084 0.000 1.047 56 K HN 0.414 nan 8.250 nan 0.000 0.458 57 L N 1.135 122.340 121.223 -0.029 0.000 2.235 57 L HA 0.520 4.861 4.340 0.002 0.000 0.260 57 L C -0.867 175.734 176.870 -0.448 0.000 1.025 57 L CA -1.188 53.487 54.840 -0.276 0.000 0.836 57 L CB 0.746 42.749 42.059 -0.092 0.000 1.395 57 L HN 0.538 nan 8.230 nan 0.000 0.443 58 Y N 0.267 119.999 120.300 -0.946 0.000 2.544 58 Y HA 0.340 4.891 4.550 0.002 0.000 0.347 58 Y C -0.705 174.997 175.900 -0.331 0.000 1.089 58 Y CA -0.564 57.210 58.100 -0.543 0.000 1.230 58 Y CB 1.120 39.128 38.460 -0.754 0.000 1.101 58 Y HN 0.469 nan 8.280 nan 0.000 0.641 59 S N 5.642 121.263 115.700 -0.131 0.000 2.405 59 S HA 0.473 4.944 4.470 0.002 0.000 0.291 59 S C -0.452 174.109 174.600 -0.065 0.000 1.137 59 S CA -0.480 57.680 58.200 -0.065 0.000 1.061 59 S CB -0.292 62.875 63.200 -0.056 0.000 1.001 59 S HN 0.553 nan 8.310 nan 0.000 0.507 60 L N 1.154 122.310 121.223 -0.111 0.000 2.304 60 L HA 0.823 5.164 4.340 0.002 0.000 0.268 60 L C -0.098 176.666 176.870 -0.178 0.000 1.010 60 L CA -0.867 53.852 54.840 -0.203 0.000 0.813 60 L CB 0.786 42.432 42.059 -0.689 0.000 1.315 60 L HN 0.277 nan 8.230 nan 0.000 0.445 61 R N 0.652 121.071 120.500 -0.134 0.000 2.500 61 R HA 0.288 4.629 4.340 0.002 0.000 0.299 61 R C -1.996 174.324 176.300 0.034 0.000 1.038 61 R CA -0.500 55.585 56.100 -0.025 0.000 0.903 61 R CB 0.970 31.291 30.300 0.035 0.000 1.177 61 R HN 0.856 nan 8.270 nan 0.000 0.455 62 W N 5.634 127.032 121.300 0.163 0.000 2.308 62 W HA 0.128 4.790 4.660 0.002 0.000 0.324 62 W C 1.796 178.395 176.519 0.134 0.000 1.387 62 W CA -0.373 57.083 57.345 0.185 0.000 1.250 62 W CB 0.504 30.069 29.460 0.175 0.000 1.257 62 W HN 0.567 nan 8.180 nan 0.000 0.554 63 I N 0.583 121.374 120.570 0.368 0.000 4.082 63 I HA 0.313 4.484 4.170 0.002 0.000 0.337 63 I C 0.655 176.911 176.117 0.231 0.000 1.352 63 I CA -0.096 61.332 61.300 0.214 0.000 1.097 63 I CB -0.215 37.837 38.000 0.087 0.000 1.048 63 I HN 0.279 nan 8.210 nan 0.000 0.393 64 S N -0.444 115.448 115.700 0.321 0.000 2.755 64 S HA 0.255 4.726 4.470 0.002 0.000 0.286 64 S C -0.321 174.415 174.600 0.227 0.000 1.207 64 S CA -0.214 58.152 58.200 0.276 0.000 0.892 64 S CB 1.348 64.746 63.200 0.329 0.000 1.240 64 S HN 0.070 nan 8.310 nan 0.000 0.525 65 D N -0.861 119.605 120.400 0.111 0.000 2.339 65 D HA 0.294 4.935 4.640 0.002 0.000 0.217 65 D C 0.712 176.817 176.300 -0.324 0.000 1.050 65 D CA 0.711 54.569 54.000 -0.236 0.000 0.856 65 D CB 0.005 40.560 40.800 -0.408 0.000 0.922 65 D HN 0.602 nan 8.370 nan 0.000 0.518 66 H N -1.888 117.363 119.070 0.303 0.000 3.643 66 H HA 0.438 4.995 4.556 0.002 0.000 0.256 66 H C -0.117 175.382 175.328 0.286 0.000 1.107 66 H CA -0.280 55.968 56.048 0.333 0.000 1.175 66 H CB 0.604 30.511 29.762 0.241 0.000 1.519 66 H HN -0.021 nan 8.280 nan 0.000 0.565 67 E N 0.654 121.140 120.200 0.476 0.000 2.312 67 E HA 0.440 4.791 4.350 0.002 0.000 0.267 67 E C -1.441 175.385 176.600 0.377 0.000 0.894 67 E CA -1.317 55.260 56.400 0.294 0.000 0.773 67 E CB 2.906 32.700 29.700 0.157 0.000 1.241 67 E HN 0.211 nan 8.360 nan 0.000 0.432 68 Y N -1.018 119.326 120.300 0.073 0.000 2.588 68 Y HA 0.606 5.157 4.550 0.002 0.000 0.343 68 Y C -1.626 174.241 175.900 -0.055 0.000 1.065 68 Y CA -1.364 56.650 58.100 -0.143 0.000 1.038 68 Y CB 0.795 38.783 38.460 -0.787 0.000 1.297 68 Y HN 0.334 nan 8.280 nan 0.000 0.467 69 L N 3.236 124.546 121.223 0.145 0.000 2.307 69 L HA 0.397 4.738 4.340 0.002 0.000 0.282 69 L C -1.320 175.698 176.870 0.248 0.000 1.051 69 L CA -0.935 53.951 54.840 0.078 0.000 0.804 69 L CB 1.296 43.265 42.059 -0.150 0.000 1.197 69 L HN 0.762 nan 8.230 nan 0.000 0.431 70 Y N 3.780 124.154 120.300 0.122 0.000 2.363 70 Y HA 0.347 4.898 4.550 0.002 0.000 0.325 70 Y C -0.436 175.440 175.900 -0.040 0.000 0.984 70 Y CA -1.153 56.944 58.100 -0.005 0.000 1.248 70 Y CB 0.800 39.254 38.460 -0.010 0.000 1.116 70 Y HN 0.444 nan 8.280 nan 0.000 0.470 71 K N 4.735 124.851 120.400 -0.474 0.000 2.202 71 K HA 0.335 4.656 4.320 0.002 0.000 0.264 71 K C -0.485 175.731 176.600 -0.640 0.000 1.010 71 K CA -0.506 55.518 56.287 -0.438 0.000 0.940 71 K CB 1.169 33.490 32.500 -0.299 0.000 0.983 71 K HN 0.709 nan 8.250 nan 0.000 0.475 72 Q N 0.351 119.926 119.800 -0.374 0.000 2.633 72 Q HA 0.112 4.453 4.340 0.002 0.000 0.292 72 Q C 0.491 176.390 176.000 -0.170 0.000 1.089 72 Q CA -0.743 54.881 55.803 -0.298 0.000 0.811 72 Q CB 1.544 30.171 28.738 -0.184 0.000 1.472 72 Q HN 0.574 nan 8.270 nan 0.000 0.464 73 E N 0.067 120.199 120.200 -0.113 0.000 2.209 73 E HA -0.218 4.133 4.350 0.002 0.000 0.196 73 E C 0.554 177.133 176.600 -0.035 0.000 0.993 73 E CA 1.227 57.590 56.400 -0.061 0.000 0.819 73 E CB 0.355 30.030 29.700 -0.041 0.000 0.745 73 E HN 0.368 nan 8.360 nan 0.000 0.477 74 N N 0.044 118.717 118.700 -0.045 0.000 2.804 74 N HA -0.011 4.730 4.740 0.002 0.000 0.233 74 N C 0.341 175.826 175.510 -0.043 0.000 1.020 74 N CA 0.415 53.451 53.050 -0.024 0.000 1.164 74 N CB -0.072 38.401 38.487 -0.022 0.000 1.571 74 N HN 0.119 nan 8.380 nan 0.000 0.551 75 N N 0.348 119.009 118.700 -0.066 0.000 2.471 75 N HA 0.451 5.192 4.740 0.002 0.000 0.288 75 N C -0.844 174.601 175.510 -0.108 0.000 1.220 75 N CA -0.504 52.496 53.050 -0.082 0.000 0.893 75 N CB 1.337 39.789 38.487 -0.058 0.000 1.256 75 N HN 0.032 nan 8.380 nan 0.000 0.534 76 I N 0.438 120.954 120.570 -0.089 0.000 2.354 76 I HA 0.296 4.467 4.170 0.002 0.000 0.292 76 I C -0.419 175.719 176.117 0.036 0.000 0.989 76 I CA -0.764 60.495 61.300 -0.067 0.000 1.188 76 I CB 0.777 38.724 38.000 -0.089 0.000 1.342 76 I HN 0.266 nan 8.210 nan 0.000 0.457 77 L N 6.366 127.624 121.223 0.059 0.000 2.352 77 L HA 0.624 4.965 4.340 0.002 0.000 0.269 77 L C -0.366 176.539 176.870 0.058 0.000 1.034 77 L CA -1.016 53.851 54.840 0.045 0.000 0.806 77 L CB 2.118 44.189 42.059 0.019 0.000 1.244 77 L HN 0.300 nan 8.230 nan 0.000 0.447 78 V N 1.710 121.580 119.914 -0.073 0.000 2.448 78 V HA 0.503 4.624 4.120 0.002 0.000 0.295 78 V C -0.993 174.925 176.094 -0.293 0.000 1.025 78 V CA -0.228 62.027 62.300 -0.074 0.000 0.859 78 V CB 1.425 33.277 31.823 0.048 0.000 0.988 78 V HN 0.450 nan 8.190 nan 0.000 0.431 79 F N 5.250 124.943 119.950 -0.429 0.000 2.492 79 F HA 0.509 5.036 4.527 0.002 0.000 0.327 79 F C 0.510 176.026 175.800 -0.473 0.000 1.079 79 F CA -0.522 57.142 58.000 -0.559 0.000 0.967 79 F CB 1.694 40.041 39.000 -1.088 0.000 1.169 79 F HN 0.501 nan 8.300 nan 0.000 0.472 80 N N 1.948 120.593 118.700 -0.092 0.000 2.439 80 N HA 0.250 4.991 4.740 0.002 0.000 0.249 80 N C 0.408 175.870 175.510 -0.081 0.000 1.003 80 N CA 0.061 53.091 53.050 -0.034 0.000 0.942 80 N CB 1.775 40.301 38.487 0.066 0.000 1.115 80 N HN 0.812 nan 8.380 nan 0.000 0.505 81 A N 3.724 126.451 122.820 -0.155 0.000 1.933 81 A HA -0.199 4.122 4.320 0.002 0.000 0.218 81 A C 1.898 179.196 177.584 -0.476 0.000 1.175 81 A CA 1.698 53.548 52.037 -0.312 0.000 0.628 81 A CB -0.438 18.221 19.000 -0.568 0.000 0.814 81 A HN 0.824 nan 8.150 nan 0.000 0.444 82 E N -0.971 118.931 120.200 -0.496 0.000 2.031 82 E HA -0.195 4.156 4.350 0.002 0.000 0.193 82 E C 1.413 177.706 176.600 -0.511 0.000 0.994 82 E CA 1.973 58.078 56.400 -0.492 0.000 0.800 82 E CB -0.374 28.922 29.700 -0.674 0.000 0.752 82 E HN 0.712 nan 8.360 nan 0.000 0.447 83 Y N -1.935 118.364 120.300 -0.002 0.000 2.498 83 Y HA 0.396 4.947 4.550 0.002 0.000 0.259 83 Y C 1.704 177.606 175.900 0.004 0.000 1.086 83 Y CA 0.282 58.384 58.100 0.004 0.000 1.287 83 Y CB 0.810 39.273 38.460 0.006 0.000 1.146 83 Y HN 0.219 nan 8.280 nan 0.000 0.523 84 G N 0.773 109.646 108.800 0.120 0.000 2.175 84 G HA2 -0.298 3.663 3.960 0.002 0.000 0.244 84 G HA3 -0.298 3.663 3.960 0.002 0.000 0.244 84 G C 0.041 175.051 174.900 0.184 0.000 0.982 84 G CA 0.113 45.301 45.100 0.148 0.000 0.641 84 G HN 0.449 nan 8.290 nan 0.000 0.527 85 N N 0.656 119.420 118.700 0.106 0.000 2.467 85 N HA 0.565 5.306 4.740 0.002 0.000 0.262 85 N C 0.089 175.490 175.510 -0.180 0.000 1.234 85 N CA 0.687 53.733 53.050 -0.007 0.000 0.952 85 N CB 1.537 40.021 38.487 -0.004 0.000 1.158 85 N HN 0.928 nan 8.380 nan 0.000 0.463 86 S N -0.614 114.881 115.700 -0.343 0.000 2.651 86 S HA 0.751 5.222 4.470 0.002 0.000 0.279 86 S C -0.976 173.414 174.600 -0.350 0.000 1.148 86 S CA -0.828 57.012 58.200 -0.599 0.000 0.837 86 S CB 1.568 63.894 63.200 -1.457 0.000 1.138 86 S HN 0.635 nan 8.310 nan 0.000 0.478 87 S N -0.007 115.509 115.700 -0.305 0.000 2.588 87 S HA 0.588 5.059 4.470 0.002 0.000 0.275 87 S C -0.980 173.544 174.600 -0.127 0.000 1.130 87 S CA -0.761 57.339 58.200 -0.168 0.000 0.855 87 S CB 1.633 64.768 63.200 -0.107 0.000 1.116 87 S HN 0.755 nan 8.310 nan 0.000 0.472 88 V N 2.971 122.833 119.914 -0.086 0.000 2.470 88 V HA 0.149 4.270 4.120 0.002 0.000 0.276 88 V C 0.640 176.732 176.094 -0.003 0.000 1.040 88 V CA 0.230 62.503 62.300 -0.044 0.000 1.008 88 V CB 0.060 31.847 31.823 -0.060 0.000 0.990 88 V HN 0.944 nan 8.190 nan 0.000 0.477 89 F N 6.126 126.018 119.950 -0.096 0.000 2.149 89 F HA 0.199 4.727 4.527 0.002 0.000 0.294 89 F C 0.663 176.421 175.800 -0.071 0.000 1.095 89 F CA 0.934 58.889 58.000 -0.075 0.000 1.276 89 F CB 0.497 39.460 39.000 -0.062 0.000 1.023 89 F HN 0.361 nan 8.300 nan 0.000 0.480 90 L N 0.465 121.705 121.223 0.028 0.000 2.614 90 L HA 0.440 4.781 4.340 0.002 0.000 0.264 90 L C -1.184 175.636 176.870 -0.083 0.000 0.940 90 L CA -0.806 53.988 54.840 -0.078 0.000 0.903 90 L CB 0.792 42.840 42.059 -0.018 0.000 1.306 90 L HN -0.170 nan 8.230 nan 0.000 0.410 91 E N 2.576 122.700 120.200 -0.126 0.000 2.415 91 E HA 0.125 4.476 4.350 0.002 0.000 0.262 91 E C 1.436 177.966 176.600 -0.118 0.000 1.038 91 E CA 0.652 56.983 56.400 -0.115 0.000 0.921 91 E CB 0.859 30.486 29.700 -0.121 0.000 0.950 91 E HN 0.736 nan 8.360 nan 0.000 0.438 92 N N 1.286 119.944 118.700 -0.071 0.000 2.166 92 N HA -0.220 4.521 4.740 0.002 0.000 0.186 92 N C 1.335 176.827 175.510 -0.030 0.000 1.019 92 N CA 1.432 54.465 53.050 -0.027 0.000 0.856 92 N CB -0.278 38.201 38.487 -0.013 0.000 0.993 92 N HN 0.404 nan 8.380 nan 0.000 0.426 93 S N 0.637 116.297 115.700 -0.068 0.000 2.423 93 S HA -0.100 4.371 4.470 0.002 0.000 0.231 93 S C 1.845 176.356 174.600 -0.148 0.000 1.014 93 S CA 1.324 59.481 58.200 -0.072 0.000 0.965 93 S CB -1.009 62.150 63.200 -0.068 0.000 0.785 93 S HN 0.295 nan 8.310 nan 0.000 0.495 94 T N 1.701 116.081 114.554 -0.290 0.000 2.701 94 T HA -0.182 4.169 4.350 0.002 0.000 0.265 94 T C 0.483 174.740 174.700 -0.737 0.000 1.032 94 T CA 1.891 63.627 62.100 -0.608 0.000 1.158 94 T CB -0.597 67.674 68.868 -0.995 0.000 0.854 94 T HN 0.610 nan 8.240 nan 0.000 0.463 95 F N 0.683 120.577 119.950 -0.094 0.000 2.772 95 F HA 0.341 4.869 4.527 0.002 0.000 0.302 95 F C 1.204 177.016 175.800 0.019 0.000 1.136 95 F CA -1.272 56.694 58.000 -0.056 0.000 1.322 95 F CB -0.006 38.909 39.000 -0.142 0.000 0.967 95 F HN -0.059 nan 8.300 nan 0.000 0.513 96 D N 1.167 121.623 120.400 0.094 0.000 2.133 96 D HA -0.197 4.444 4.640 0.002 0.000 0.195 96 D C 1.489 177.839 176.300 0.084 0.000 0.997 96 D CA 1.579 55.622 54.000 0.072 0.000 0.840 96 D CB -0.033 40.779 40.800 0.020 0.000 0.947 96 D HN 0.538 nan 8.370 nan 0.000 0.452 97 E N -0.296 119.958 120.200 0.091 0.000 2.511 97 E HA 0.032 4.383 4.350 0.002 0.000 0.214 97 E C 0.901 177.560 176.600 0.098 0.000 1.062 97 E CA -0.429 56.007 56.400 0.060 0.000 1.213 97 E CB -0.390 29.324 29.700 0.024 0.000 1.214 97 E HN 0.087 nan 8.360 nan 0.000 0.441 98 F N 2.293 122.249 119.950 0.009 0.000 2.293 98 F HA 0.085 4.613 4.527 0.002 0.000 0.300 98 F C 1.693 177.395 175.800 -0.163 0.000 1.086 98 F CA 1.801 59.790 58.000 -0.018 0.000 1.375 98 F CB -0.070 38.915 39.000 -0.025 0.000 1.045 98 F HN 0.350 nan 8.300 nan 0.000 0.516 99 G N -0.547 108.107 108.800 -0.243 0.000 2.179 99 G HA2 -0.256 3.705 3.960 0.002 0.000 0.260 99 G HA3 -0.256 3.705 3.960 0.002 0.000 0.260 99 G C 0.062 174.530 174.900 -0.719 0.000 0.977 99 G CA 0.412 45.221 45.100 -0.485 0.000 0.641 99 G HN 0.573 nan 8.290 nan 0.000 0.533 100 H N -0.547 118.358 119.070 -0.274 0.000 2.851 100 H HA 0.570 5.127 4.556 0.002 0.000 0.372 100 H C -0.513 174.836 175.328 0.035 0.000 1.158 100 H CA -0.103 55.830 56.048 -0.192 0.000 1.159 100 H CB 1.662 31.070 29.762 -0.591 0.000 1.757 100 H HN 0.143 nan 8.280 nan 0.000 0.546 101 S N 2.873 118.675 115.700 0.170 0.000 2.430 101 S HA 0.234 4.705 4.470 0.002 0.000 0.282 101 S C 0.290 174.935 174.600 0.075 0.000 1.186 101 S CA -0.644 57.614 58.200 0.098 0.000 1.060 101 S CB -0.899 62.343 63.200 0.070 0.000 0.966 101 S HN 0.353 nan 8.310 nan 0.000 0.501 102 I N 6.260 126.812 120.570 -0.030 0.000 2.379 102 I HA 0.166 4.337 4.170 0.002 0.000 0.290 102 I C 1.482 177.464 176.117 -0.225 0.000 1.063 102 I CA -0.394 60.783 61.300 -0.205 0.000 1.351 102 I CB 0.651 38.333 38.000 -0.531 0.000 1.410 102 I HN 0.729 nan 8.210 nan 0.000 0.505 103 N N 4.229 122.810 118.700 -0.199 0.000 2.280 103 N HA 0.054 4.795 4.740 0.002 0.000 0.192 103 N C -0.288 175.092 175.510 -0.216 0.000 1.109 103 N CA 0.133 53.063 53.050 -0.200 0.000 0.855 103 N CB 0.705 39.056 38.487 -0.227 0.000 0.974 103 N HN 0.571 nan 8.380 nan 0.000 0.482 104 D N -0.927 119.302 120.400 -0.285 0.000 2.722 104 D HA 0.287 4.928 4.640 0.002 0.000 0.231 104 D C -1.761 174.407 176.300 -0.219 0.000 1.218 104 D CA -0.421 53.486 54.000 -0.155 0.000 0.753 104 D CB 0.837 41.614 40.800 -0.038 0.000 1.471 104 D HN -0.079 nan 8.370 nan 0.000 0.455 105 Y N 0.007 120.320 120.300 0.022 0.000 2.598 105 Y HA 0.709 5.260 4.550 0.002 0.000 0.340 105 Y C 0.241 176.222 175.900 0.134 0.000 1.038 105 Y CA -0.973 57.163 58.100 0.059 0.000 1.100 105 Y CB 2.315 40.803 38.460 0.046 0.000 1.281 105 Y HN 0.160 nan 8.280 nan 0.000 0.488 106 S N 1.653 117.588 115.700 0.391 0.000 2.680 106 S HA 0.518 4.989 4.470 0.002 0.000 0.262 106 S C -1.376 173.513 174.600 0.482 0.000 1.138 106 S CA -0.471 57.968 58.200 0.399 0.000 1.072 106 S CB -0.146 63.298 63.200 0.407 0.000 1.097 106 S HN 0.568 nan 8.310 nan 0.000 0.468 107 I N 4.452 125.176 120.570 0.257 0.000 2.395 107 I HA 0.250 4.421 4.170 0.002 0.000 0.289 107 I C 1.051 177.015 176.117 -0.255 0.000 1.023 107 I CA -0.400 60.959 61.300 0.098 0.000 1.350 107 I CB 1.531 39.558 38.000 0.044 0.000 1.409 107 I HN 0.737 nan 8.210 nan 0.000 0.507 108 S N 5.955 121.199 115.700 -0.761 0.000 2.563 108 S HA 0.099 4.570 4.470 0.002 0.000 0.284 108 S C -1.819 172.487 174.600 -0.489 0.000 1.331 108 S CA -0.924 56.457 58.200 -1.364 0.000 1.047 108 S CB 0.501 62.819 63.200 -1.471 0.000 0.859 108 S HN 0.439 nan 8.310 nan 0.000 0.514 109 P HA -0.085 nan 4.420 nan 0.000 0.220 109 P C 0.698 177.950 177.300 -0.080 0.000 1.144 109 P CA 1.073 64.104 63.100 -0.115 0.000 0.800 109 P CB -0.001 31.657 31.700 -0.069 0.000 0.772 110 D N -1.453 118.878 120.400 -0.115 0.000 2.178 110 D HA -0.052 4.589 4.640 0.002 0.000 0.201 110 D C 1.820 178.114 176.300 -0.011 0.000 0.980 110 D CA 1.788 55.768 54.000 -0.034 0.000 0.842 110 D CB -0.721 40.111 40.800 0.053 0.000 0.948 110 D HN 0.140 nan 8.370 nan 0.000 0.472 111 G N -0.004 108.786 108.800 -0.018 0.000 2.179 111 G HA2 -0.385 3.576 3.960 0.002 0.000 0.260 111 G HA3 -0.385 3.576 3.960 0.002 0.000 0.260 111 G C 1.071 175.987 174.900 0.027 0.000 0.977 111 G CA 0.692 45.865 45.100 0.121 0.000 0.641 111 G HN 0.417 nan 8.290 nan 0.000 0.533 112 Q N -1.420 118.306 119.800 -0.124 0.000 2.250 112 Q HA 0.374 4.715 4.340 0.002 0.000 0.200 112 Q C 0.306 175.869 176.000 -0.728 0.000 0.941 112 Q CA 0.683 56.229 55.803 -0.427 0.000 0.872 112 Q CB 0.275 28.722 28.738 -0.485 0.000 0.965 112 Q HN 0.559 nan 8.270 nan 0.000 0.480 113 F N -0.630 119.271 119.950 -0.082 0.000 2.620 113 F HA 0.523 5.051 4.527 0.002 0.000 0.320 113 F C -0.472 175.407 175.800 0.132 0.000 1.069 113 F CA -1.065 56.949 58.000 0.024 0.000 0.953 113 F CB 1.569 40.604 39.000 0.058 0.000 1.322 113 F HN -0.250 nan 8.300 nan 0.000 0.479 114 I N 2.846 123.750 120.570 0.558 0.000 2.478 114 I HA 0.282 4.453 4.170 0.002 0.000 0.287 114 I C -1.460 174.992 176.117 0.559 0.000 1.042 114 I CA -0.867 60.755 61.300 0.536 0.000 1.067 114 I CB 2.054 40.363 38.000 0.515 0.000 1.233 114 I HN 0.273 nan 8.210 nan 0.000 0.431 115 L N 7.724 129.299 121.223 0.587 0.000 2.278 115 L HA 0.428 4.769 4.340 0.002 0.000 0.287 115 L C -0.705 176.304 176.870 0.232 0.000 1.072 115 L CA 0.079 55.151 54.840 0.387 0.000 0.819 115 L CB 0.598 42.833 42.059 0.293 0.000 1.176 115 L HN 0.422 nan 8.230 nan 0.000 0.435 116 L N 5.325 126.605 121.223 0.095 0.000 2.265 116 L HA 0.457 4.798 4.340 0.002 0.000 0.289 116 L C 0.098 176.951 176.870 -0.030 0.000 1.033 116 L CA -0.318 54.425 54.840 -0.162 0.000 0.814 116 L CB 1.225 42.952 42.059 -0.554 0.000 1.203 116 L HN 0.606 nan 8.230 nan 0.000 0.423 117 E N 4.304 124.423 120.200 -0.135 0.000 2.156 117 E HA 0.433 4.784 4.350 0.002 0.000 0.279 117 E C -1.533 174.975 176.600 -0.154 0.000 0.965 117 E CA -0.508 55.701 56.400 -0.319 0.000 0.789 117 E CB 1.043 30.623 29.700 -0.200 0.000 1.098 117 E HN 0.450 nan 8.360 nan 0.000 0.397 118 Y N 1.598 121.671 120.300 -0.379 0.000 2.728 118 Y HA 0.433 4.984 4.550 0.002 0.000 0.330 118 Y C -0.179 175.601 175.900 -0.200 0.000 1.234 118 Y CA -1.651 56.321 58.100 -0.212 0.000 1.070 118 Y CB 0.372 38.774 38.460 -0.097 0.000 1.300 118 Y HN 0.514 nan 8.280 nan 0.000 0.467 119 N N -0.546 118.126 118.700 -0.047 0.000 2.735 119 N HA -0.299 4.442 4.740 0.002 0.000 0.248 119 N C -0.951 174.496 175.510 -0.104 0.000 1.083 119 N CA 1.026 54.005 53.050 -0.118 0.000 0.703 119 N CB -1.659 36.649 38.487 -0.299 0.000 1.005 119 N HN 0.863 nan 8.380 nan 0.000 0.550 120 Y N 0.250 120.452 120.300 -0.164 0.000 2.632 120 Y HA 0.263 4.814 4.550 0.002 0.000 0.329 120 Y C 0.012 175.856 175.900 -0.094 0.000 1.174 120 Y CA 0.056 58.060 58.100 -0.160 0.000 1.469 120 Y CB 0.684 39.003 38.460 -0.234 0.000 1.242 120 Y HN -0.011 nan 8.280 nan 0.000 0.540 121 V N 8.194 127.697 119.914 -0.684 0.000 2.447 121 V HA 0.193 4.314 4.120 0.002 0.000 0.292 121 V C -0.313 175.356 176.094 -0.708 0.000 1.021 121 V CA -1.379 60.593 62.300 -0.546 0.000 0.850 121 V CB 1.294 32.963 31.823 -0.255 0.000 1.005 121 V HN 0.769 nan 8.190 nan 0.000 0.426 122 K N 3.812 123.771 120.400 -0.736 0.000 2.382 122 K HA 0.235 4.556 4.320 0.002 0.000 0.275 122 K C 0.411 176.852 176.600 -0.264 0.000 1.009 122 K CA 0.203 56.256 56.287 -0.390 0.000 0.970 122 K CB 1.276 33.742 32.500 -0.057 0.000 0.934 122 K HN 0.809 nan 8.250 nan 0.000 0.479 123 Q N 3.057 122.699 119.800 -0.264 0.000 2.729 123 Q HA 0.179 4.520 4.340 0.002 0.000 0.228 123 Q C -0.031 175.761 176.000 -0.347 0.000 1.021 123 Q CA -0.400 55.062 55.803 -0.568 0.000 0.561 123 Q CB 0.106 28.344 28.738 -0.834 0.000 3.921 123 Q HN 0.737 nan 8.270 nan 0.000 0.430 124 W N 0.208 121.507 121.300 -0.001 0.000 1.836 124 W HA 0.382 5.043 4.660 0.002 0.000 0.628 124 W C 1.863 178.374 176.519 -0.013 0.000 1.626 124 W CA -0.741 56.630 57.345 0.044 0.000 1.714 124 W CB -0.121 29.331 29.460 -0.013 0.000 3.166 124 W HN 0.278 nan 8.180 nan 0.000 0.772 125 R N -0.590 120.006 120.500 0.160 0.000 2.092 125 R HA -0.142 4.199 4.340 0.002 0.000 0.231 125 R C 1.682 177.815 176.300 -0.278 0.000 1.119 125 R CA 1.698 57.714 56.100 -0.140 0.000 0.970 125 R CB -0.333 29.731 30.300 -0.394 0.000 0.864 125 R HN 0.497 nan 8.270 nan 0.000 0.440 126 H N -1.389 117.768 119.070 0.145 0.000 2.800 126 H HA 0.154 4.711 4.556 0.002 0.000 0.257 126 H C 0.628 176.063 175.328 0.178 0.000 0.967 126 H CA 0.467 56.621 56.048 0.176 0.000 1.192 126 H CB 0.241 30.077 29.762 0.124 0.000 1.441 126 H HN 0.134 nan 8.280 nan 0.000 0.461 127 S N 1.331 117.054 115.700 0.040 0.000 2.585 127 S HA 0.373 4.844 4.470 0.002 0.000 0.273 127 S C -0.280 174.215 174.600 -0.175 0.000 1.339 127 S CA -0.419 57.521 58.200 -0.434 0.000 1.028 127 S CB 0.738 63.145 63.200 -1.323 0.000 0.906 127 S HN 0.450 nan 8.310 nan 0.000 0.528 128 Y N -2.297 117.877 120.300 -0.209 0.000 2.774 128 Y HA 0.639 5.190 4.550 0.002 0.000 0.346 128 Y C -0.831 175.072 175.900 0.005 0.000 1.222 128 Y CA -0.820 57.172 58.100 -0.180 0.000 1.088 128 Y CB 0.445 38.797 38.460 -0.181 0.000 1.354 128 Y HN 0.925 nan 8.280 nan 0.000 0.455 129 T N -0.078 114.573 114.554 0.162 0.000 2.930 129 T HA 1.034 5.385 4.350 0.002 0.000 0.290 129 T C -0.498 174.309 174.700 0.177 0.000 1.052 129 T CA -0.149 62.049 62.100 0.163 0.000 1.017 129 T CB 1.804 70.703 68.868 0.050 0.000 1.137 129 T HN 2.011 nan 8.240 nan 0.000 0.511 130 A N 0.713 123.600 122.820 0.112 0.000 2.511 130 A HA 0.763 5.084 4.320 0.002 0.000 0.293 130 A C -0.766 176.610 177.584 -0.347 0.000 1.098 130 A CA -0.981 50.963 52.037 -0.155 0.000 0.643 130 A CB 0.899 19.768 19.000 -0.218 0.000 1.302 130 A HN 0.887 nan 8.150 nan 0.000 0.446 131 S N -0.622 114.617 115.700 -0.769 0.000 2.549 131 S HA 0.800 5.271 4.470 0.002 0.000 0.297 131 S C -1.570 172.380 174.600 -1.083 0.000 1.115 131 S CA -0.082 57.590 58.200 -0.880 0.000 1.059 131 S CB 0.712 63.117 63.200 -1.325 0.000 1.046 131 S HN 0.444 nan 8.310 nan 0.000 0.506 132 Y N 0.330 120.410 120.300 -0.367 0.000 2.477 132 Y HA 0.512 5.063 4.550 0.002 0.000 0.347 132 Y C -0.262 175.675 175.900 0.061 0.000 0.981 132 Y CA -0.938 57.092 58.100 -0.117 0.000 1.033 132 Y CB 1.724 40.062 38.460 -0.204 0.000 1.245 132 Y HN 0.487 nan 8.280 nan 0.000 0.455 133 D N 2.384 122.984 120.400 0.333 0.000 2.738 133 D HA 0.519 5.160 4.640 0.002 0.000 0.237 133 D C -0.977 175.444 176.300 0.203 0.000 1.123 133 D CA -0.335 53.833 54.000 0.281 0.000 0.856 133 D CB 2.677 43.738 40.800 0.434 0.000 1.552 133 D HN 0.406 nan 8.370 nan 0.000 0.480 134 I N 1.983 122.669 120.570 0.194 0.000 2.354 134 I HA 0.229 4.400 4.170 0.002 0.000 0.292 134 I C -0.811 175.516 176.117 0.350 0.000 0.989 134 I CA -0.951 60.500 61.300 0.252 0.000 1.188 134 I CB 1.267 39.361 38.000 0.156 0.000 1.342 134 I HN 0.228 nan 8.210 nan 0.000 0.457 135 Y N 5.827 126.305 120.300 0.298 0.000 2.331 135 Y HA 0.260 4.811 4.550 0.002 0.000 0.338 135 Y C -0.043 176.066 175.900 0.349 0.000 0.976 135 Y CA -0.723 57.566 58.100 0.316 0.000 1.137 135 Y CB 0.968 39.660 38.460 0.386 0.000 1.172 135 Y HN 0.492 nan 8.280 nan 0.000 0.478 136 D N 6.671 126.957 120.400 -0.190 0.000 2.352 136 D HA 0.059 4.700 4.640 0.002 0.000 0.245 136 D C 0.722 176.713 176.300 -0.516 0.000 1.224 136 D CA 0.302 54.188 54.000 -0.191 0.000 0.879 136 D CB 0.862 41.611 40.800 -0.086 0.000 1.057 136 D HN 0.878 nan 8.370 nan 0.000 0.491 137 L N 3.586 124.598 121.223 -0.351 0.000 2.376 137 L HA -0.100 4.241 4.340 0.002 0.000 0.219 137 L C 1.934 178.634 176.870 -0.284 0.000 1.133 137 L CA 0.233 54.933 54.840 -0.235 0.000 0.816 137 L CB -0.205 41.760 42.059 -0.157 0.000 0.933 137 L HN 0.371 nan 8.230 nan 0.000 0.449 138 N N 1.421 119.908 118.700 -0.354 0.000 2.083 138 N HA -0.150 4.591 4.740 0.002 0.000 0.190 138 N C 1.561 176.950 175.510 -0.202 0.000 1.047 138 N CA 1.375 54.266 53.050 -0.265 0.000 0.845 138 N CB -0.178 38.143 38.487 -0.276 0.000 1.025 138 N HN 0.438 nan 8.380 nan 0.000 0.428 139 K N 1.342 121.621 120.400 -0.203 0.000 2.487 139 K HA 0.168 4.489 4.320 0.002 0.000 0.192 139 K C -0.287 176.207 176.600 -0.177 0.000 1.027 139 K CA -0.042 56.154 56.287 -0.151 0.000 1.054 139 K CB 0.167 32.602 32.500 -0.109 0.000 0.824 139 K HN 0.048 nan 8.250 nan 0.000 0.510 140 R N 0.449 120.786 120.500 -0.271 0.000 3.416 140 R HA -0.212 4.129 4.340 0.002 0.000 0.263 140 R C -0.877 175.254 176.300 -0.282 0.000 1.053 140 R CA 0.728 56.669 56.100 -0.265 0.000 0.705 140 R CB -2.326 27.946 30.300 -0.047 0.000 1.124 140 R HN 0.497 nan 8.270 nan 0.000 0.444 141 Q N 0.161 119.684 119.800 -0.462 0.000 2.372 141 Q HA 0.569 4.910 4.340 0.002 0.000 0.273 141 Q C -0.782 175.111 176.000 -0.179 0.000 1.078 141 Q CA -0.745 54.945 55.803 -0.189 0.000 0.806 141 Q CB 1.902 30.590 28.738 -0.083 0.000 1.332 141 Q HN 0.296 nan 8.270 nan 0.000 0.435 142 L N 3.731 125.034 121.223 0.134 0.000 2.331 142 L HA 0.366 4.707 4.340 0.002 0.000 0.278 142 L C -0.404 176.559 176.870 0.154 0.000 1.106 142 L CA -0.282 54.722 54.840 0.274 0.000 0.824 142 L CB 0.600 42.889 42.059 0.384 0.000 1.142 142 L HN 0.611 nan 8.230 nan 0.000 0.443 143 I N 3.118 123.779 120.570 0.152 0.000 2.379 143 I HA 0.013 4.184 4.170 0.002 0.000 0.290 143 I C 1.215 177.385 176.117 0.088 0.000 1.063 143 I CA 0.071 61.429 61.300 0.096 0.000 1.351 143 I CB 1.145 39.192 38.000 0.078 0.000 1.410 143 I HN 0.696 nan 8.210 nan 0.000 0.505 144 T N 1.000 115.591 114.554 0.060 0.000 3.040 144 T HA 0.115 4.466 4.350 0.002 0.000 0.250 144 T C 0.478 175.185 174.700 0.012 0.000 1.058 144 T CA -0.349 61.778 62.100 0.046 0.000 0.988 144 T CB 0.020 68.914 68.868 0.044 0.000 0.993 144 T HN 0.592 nan 8.240 nan 0.000 0.519 145 E N 1.587 121.787 120.200 0.000 0.000 2.214 145 E HA 0.284 4.635 4.350 0.002 0.000 0.274 145 E C -0.489 176.084 176.600 -0.044 0.000 0.977 145 E CA -0.673 55.714 56.400 -0.022 0.000 0.827 145 E CB 0.917 30.606 29.700 -0.018 0.000 1.130 145 E HN 0.082 nan 8.360 nan 0.000 0.394 146 E N 0.416 120.577 120.200 -0.064 0.000 2.440 146 E HA -0.249 4.102 4.350 0.002 0.000 0.246 146 E C -0.061 176.469 176.600 -0.116 0.000 1.165 146 E CA 0.969 57.314 56.400 -0.092 0.000 0.726 146 E CB -1.651 28.002 29.700 -0.079 0.000 1.271 146 E HN 0.753 nan 8.360 nan 0.000 0.397 147 R N -0.339 120.091 120.500 -0.116 0.000 2.694 147 R HA 0.393 4.734 4.340 0.002 0.000 0.268 147 R C 0.797 176.943 176.300 -0.255 0.000 1.061 147 R CA -0.438 55.581 56.100 -0.136 0.000 1.133 147 R CB 0.457 30.713 30.300 -0.075 0.000 1.020 147 R HN 0.040 nan 8.270 nan 0.000 0.475 148 I N 3.500 123.872 120.570 -0.330 0.000 2.683 148 I HA 0.038 4.209 4.170 0.002 0.000 0.286 148 I C -1.401 174.418 176.117 -0.497 0.000 1.175 148 I CA -1.614 59.320 61.300 -0.611 0.000 1.429 148 I CB 0.393 37.998 38.000 -0.658 0.000 1.371 148 I HN 0.586 nan 8.210 nan 0.000 0.569 149 P HA 0.022 nan 4.420 nan 0.000 0.270 149 P C -0.848 176.245 177.300 -0.345 0.000 1.223 149 P CA -0.248 62.490 63.100 -0.603 0.000 0.785 149 P CB 0.520 31.495 31.700 -1.208 0.000 0.923 150 N N 1.739 120.317 118.700 -0.204 0.000 2.381 150 N HA 0.028 4.769 4.740 0.002 0.000 0.254 150 N C 0.691 176.260 175.510 0.100 0.000 1.264 150 N CA 0.036 53.031 53.050 -0.093 0.000 0.942 150 N CB -0.350 38.084 38.487 -0.088 0.000 1.190 150 N HN 0.436 nan 8.380 nan 0.000 0.495 151 N N -1.095 117.651 118.700 0.075 0.000 2.747 151 N HA -0.152 4.589 4.740 0.002 0.000 0.249 151 N C -0.855 174.818 175.510 0.273 0.000 1.107 151 N CA 0.719 53.856 53.050 0.145 0.000 0.707 151 N CB -1.709 36.875 38.487 0.162 0.000 1.054 151 N HN 0.469 nan 8.380 nan 0.000 0.555 152 T N 0.810 115.522 114.554 0.263 0.000 2.851 152 T HA 0.133 4.484 4.350 0.002 0.000 0.298 152 T C 1.712 176.566 174.700 0.256 0.000 0.977 152 T CA 0.021 62.301 62.100 0.300 0.000 1.126 152 T CB 1.266 70.226 68.868 0.152 0.000 0.916 152 T HN 0.161 nan 8.240 nan 0.000 0.529 153 Q N 1.806 121.747 119.800 0.234 0.000 2.250 153 Q HA 0.144 4.485 4.340 0.002 0.000 0.200 153 Q C 0.161 176.316 176.000 0.258 0.000 0.941 153 Q CA 0.457 56.414 55.803 0.257 0.000 0.872 153 Q CB 0.747 29.582 28.738 0.162 0.000 0.965 153 Q HN 0.694 nan 8.270 nan 0.000 0.480 154 W N -0.188 121.064 121.300 -0.079 0.000 3.571 154 W HA 0.455 5.116 4.660 0.002 0.000 0.294 154 W C -2.327 174.099 176.519 -0.155 0.000 1.257 154 W CA -0.580 56.672 57.345 -0.154 0.000 1.206 154 W CB 1.243 30.548 29.460 -0.259 0.000 1.325 154 W HN -0.360 nan 8.180 nan 0.000 0.546 155 V N 3.389 122.568 119.914 -1.226 0.000 2.888 155 V HA 0.700 4.821 4.120 0.002 0.000 0.309 155 V C -0.526 174.932 176.094 -1.060 0.000 1.114 155 V CA -0.579 61.151 62.300 -0.951 0.000 0.940 155 V CB 1.910 33.084 31.823 -1.081 0.000 1.021 155 V HN 0.503 nan 8.190 nan 0.000 0.426 156 T N 2.672 116.921 114.554 -0.509 0.000 3.097 156 T HA 0.504 4.855 4.350 0.002 0.000 0.332 156 T C -1.562 173.151 174.700 0.021 0.000 1.269 156 T CA -0.337 61.647 62.100 -0.193 0.000 1.076 156 T CB 0.793 69.775 68.868 0.191 0.000 1.209 156 T HN 0.502 nan 8.240 nan 0.000 0.474 157 W N 2.996 124.334 121.300 0.064 0.000 2.093 157 W HA 0.478 5.139 4.660 0.002 0.000 0.352 157 W C 1.257 177.623 176.519 -0.254 0.000 1.294 157 W CA -0.483 56.847 57.345 -0.026 0.000 1.290 157 W CB 0.546 29.994 29.460 -0.019 0.000 1.149 157 W HN 0.788 nan 8.180 nan 0.000 0.606 158 S N 0.825 116.295 115.700 -0.384 0.000 2.600 158 S HA 0.159 4.630 4.470 0.002 0.000 0.265 158 S C -1.895 172.444 174.600 -0.435 0.000 1.325 158 S CA -0.970 56.484 58.200 -1.243 0.000 1.002 158 S CB 0.808 63.252 63.200 -1.260 0.000 0.921 158 S HN 0.258 nan 8.310 nan 0.000 0.554 159 P HA -0.047 nan 4.420 nan 0.000 0.220 159 P C 1.271 178.529 177.300 -0.071 0.000 1.148 159 P CA 1.012 64.066 63.100 -0.077 0.000 0.803 159 P CB -0.093 31.600 31.700 -0.012 0.000 0.782 160 V N -5.097 114.734 119.914 -0.140 0.000 3.444 160 V HA 0.445 4.566 4.120 0.002 0.000 0.210 160 V C 1.813 177.828 176.094 -0.133 0.000 1.217 160 V CA 0.766 63.004 62.300 -0.104 0.000 1.302 160 V CB -1.446 30.323 31.823 -0.089 0.000 1.341 160 V HN 0.031 nan 8.190 nan 0.000 0.522 161 G N 1.781 110.465 108.800 -0.193 0.000 2.434 161 G HA2 -0.016 3.945 3.960 0.002 0.000 0.150 161 G HA3 -0.016 3.945 3.960 0.002 0.000 0.150 161 G C 0.794 175.583 174.900 -0.185 0.000 1.744 161 G CA 1.180 46.120 45.100 -0.267 0.000 0.973 161 G HN 1.150 nan 8.290 nan 0.000 0.397 162 H N -1.568 117.517 119.070 0.024 0.000 3.043 162 H HA 0.379 4.936 4.556 0.002 0.000 0.244 162 H C -0.165 175.348 175.328 0.308 0.000 1.199 162 H CA -0.534 55.596 56.048 0.137 0.000 0.956 162 H CB -0.184 29.689 29.762 0.184 0.000 2.305 162 H HN 0.195 nan 8.280 nan 0.000 0.665 163 K N 1.686 122.212 120.400 0.210 0.000 2.219 163 K HA 0.440 4.761 4.320 0.002 0.000 0.258 163 K C -0.457 176.269 176.600 0.211 0.000 1.008 163 K CA -0.225 56.154 56.287 0.153 0.000 0.928 163 K CB 1.515 33.950 32.500 -0.107 0.000 0.983 163 K HN 0.134 nan 8.250 nan 0.000 0.484 164 L N 0.881 122.229 121.223 0.208 0.000 2.401 164 L HA 0.570 4.911 4.340 0.002 0.000 0.266 164 L C -1.066 175.986 176.870 0.303 0.000 0.991 164 L CA -0.827 54.077 54.840 0.107 0.000 0.818 164 L CB 2.176 44.135 42.059 -0.167 0.000 1.321 164 L HN 0.709 nan 8.230 nan 0.000 0.413 165 A N 2.657 125.650 122.820 0.288 0.000 2.359 165 A HA 0.803 5.124 4.320 0.002 0.000 0.303 165 A C -1.602 176.009 177.584 0.046 0.000 1.066 165 A CA -0.376 51.734 52.037 0.122 0.000 0.730 165 A CB 1.111 20.117 19.000 0.009 0.000 1.211 165 A HN 0.643 nan 8.150 nan 0.000 0.439 166 Y N -0.332 119.919 120.300 -0.082 0.000 2.615 166 Y HA 0.799 5.350 4.550 0.002 0.000 0.341 166 Y C -1.199 174.706 175.900 0.008 0.000 1.089 166 Y CA -1.623 56.408 58.100 -0.114 0.000 1.049 166 Y CB 1.204 39.532 38.460 -0.221 0.000 1.296 166 Y HN 0.390 nan 8.280 nan 0.000 0.470 167 V N 2.014 122.058 119.914 0.218 0.000 2.495 167 V HA 0.384 4.505 4.120 0.002 0.000 0.298 167 V C -1.503 174.798 176.094 0.345 0.000 1.031 167 V CA -0.641 61.755 62.300 0.162 0.000 0.871 167 V CB 1.406 33.232 31.823 0.005 0.000 0.988 167 V HN 0.882 nan 8.190 nan 0.000 0.432 168 W N 5.047 126.442 121.300 0.158 0.000 3.042 168 W HA 0.468 5.128 4.660 0.002 0.000 0.337 168 W C 0.250 176.818 176.519 0.082 0.000 1.086 168 W CA -0.684 56.728 57.345 0.112 0.000 1.236 168 W CB 1.219 30.726 29.460 0.077 0.000 1.381 168 W HN 0.785 nan 8.180 nan 0.000 0.472 169 N N 5.608 123.907 118.700 -0.669 0.000 2.735 169 N HA -0.346 4.395 4.740 0.002 0.000 0.248 169 N C 0.184 175.500 175.510 -0.322 0.000 1.083 169 N CA 1.075 53.723 53.050 -0.670 0.000 0.703 169 N CB -1.107 36.709 38.487 -1.118 0.000 1.005 169 N HN 0.879 nan 8.380 nan 0.000 0.550 170 N N -1.740 116.842 118.700 -0.197 0.000 2.878 170 N HA -0.163 4.578 4.740 0.002 0.000 0.247 170 N C -1.274 174.143 175.510 -0.155 0.000 1.021 170 N CA 1.088 54.044 53.050 -0.156 0.000 0.873 170 N CB -0.366 37.989 38.487 -0.219 0.000 1.128 170 N HN 0.418 nan 8.380 nan 0.000 0.571 171 D N 0.550 120.872 120.400 -0.130 0.000 2.340 171 D HA 0.491 5.132 4.640 0.002 0.000 0.240 171 D C 0.166 176.281 176.300 -0.308 0.000 1.001 171 D CA -0.356 53.484 54.000 -0.266 0.000 0.888 171 D CB 1.642 42.246 40.800 -0.327 0.000 1.310 171 D HN 0.032 nan 8.370 nan 0.000 0.474 172 I N 1.710 121.922 120.570 -0.596 0.000 2.396 172 I HA 0.230 4.401 4.170 0.002 0.000 0.292 172 I C -0.693 174.900 176.117 -0.874 0.000 0.999 172 I CA -0.438 60.493 61.300 -0.616 0.000 1.310 172 I CB 0.571 38.127 38.000 -0.740 0.000 1.404 172 I HN 0.161 nan 8.210 nan 0.000 0.496 173 Y N 4.138 124.038 120.300 -0.666 0.000 2.512 173 Y HA 0.620 5.171 4.550 0.002 0.000 0.348 173 Y C -0.342 175.200 175.900 -0.596 0.000 0.990 173 Y CA -0.905 56.758 58.100 -0.729 0.000 1.033 173 Y CB 2.098 39.850 38.460 -1.180 0.000 1.259 173 Y HN 0.109 nan 8.280 nan 0.000 0.461 174 V N 2.817 122.647 119.914 -0.141 0.000 2.588 174 V HA 0.447 4.568 4.120 0.002 0.000 0.304 174 V C -0.794 175.415 176.094 0.191 0.000 1.042 174 V CA -1.345 60.974 62.300 0.033 0.000 0.877 174 V CB 2.002 33.860 31.823 0.057 0.000 0.996 174 V HN 0.612 nan 8.190 nan 0.000 0.425 175 K N 3.851 124.378 120.400 0.211 0.000 2.394 175 K HA 0.555 4.876 4.320 0.002 0.000 0.260 175 K C 0.537 177.269 176.600 0.221 0.000 0.967 175 K CA -0.495 55.911 56.287 0.198 0.000 0.855 175 K CB 1.737 34.314 32.500 0.129 0.000 1.101 175 K HN 0.577 nan 8.250 nan 0.000 0.433 176 I N 1.351 122.075 120.570 0.257 0.000 2.617 176 I HA -0.099 4.072 4.170 0.002 0.000 0.256 176 I C 0.322 176.567 176.117 0.213 0.000 1.167 176 I CA 1.109 62.547 61.300 0.230 0.000 1.469 176 I CB 0.274 38.419 38.000 0.242 0.000 1.098 176 I HN 0.454 nan 8.210 nan 0.000 0.436 177 E N -0.468 119.817 120.200 0.141 0.000 2.314 177 E HA 0.249 4.600 4.350 0.002 0.000 0.272 177 E C -1.955 174.595 176.600 -0.083 0.000 0.884 177 E CA -1.891 54.535 56.400 0.042 0.000 0.753 177 E CB 1.727 31.457 29.700 0.050 0.000 1.213 177 E HN -0.255 nan 8.360 nan 0.000 0.432 178 P HA -0.196 nan 4.420 nan 0.000 0.216 178 P C 0.843 178.048 177.300 -0.159 0.000 1.154 178 P CA 1.538 64.454 63.100 -0.307 0.000 0.865 178 P CB 0.294 31.574 31.700 -0.699 0.000 0.789 179 N N -1.597 117.033 118.700 -0.118 0.000 2.336 179 N HA 0.004 4.745 4.740 0.002 0.000 0.189 179 N C 0.161 175.645 175.510 -0.043 0.000 1.113 179 N CA 0.359 53.376 53.050 -0.056 0.000 0.858 179 N CB -0.426 38.049 38.487 -0.021 0.000 0.970 179 N HN 0.081 nan 8.380 nan 0.000 0.471 180 L N 1.169 122.367 121.223 -0.041 0.000 2.399 180 L HA 0.531 4.872 4.340 0.002 0.000 0.265 180 L C -2.075 174.755 176.870 -0.067 0.000 1.089 180 L CA -2.234 52.583 54.840 -0.038 0.000 0.802 180 L CB 0.562 42.617 42.059 -0.006 0.000 1.180 180 L HN -0.101 nan 8.230 nan 0.000 0.454 181 P HA 0.114 nan 4.420 nan 0.000 0.269 181 P C -0.892 176.288 177.300 -0.199 0.000 1.209 181 P CA -0.039 62.973 63.100 -0.146 0.000 0.776 181 P CB 0.520 32.118 31.700 -0.170 0.000 0.876 182 S N 1.211 116.838 115.700 -0.123 0.000 2.601 182 S HA 0.322 4.794 4.470 0.002 0.000 0.271 182 S C -0.557 173.970 174.600 -0.122 0.000 1.305 182 S CA -0.109 58.062 58.200 -0.047 0.000 1.022 182 S CB -0.008 63.245 63.200 0.088 0.000 0.940 182 S HN 0.242 nan 8.310 nan 0.000 0.525 183 Y N 1.375 121.697 120.300 0.037 0.000 2.326 183 Y HA 0.362 4.913 4.550 0.002 0.000 0.337 183 Y C 0.846 176.670 175.900 -0.127 0.000 1.023 183 Y CA -0.478 57.622 58.100 -0.000 0.000 1.143 183 Y CB 0.694 39.151 38.460 -0.005 0.000 1.183 183 Y HN 0.456 nan 8.280 nan 0.000 0.485 184 R N 3.695 124.146 120.500 -0.083 0.000 2.390 184 R HA 0.235 4.576 4.340 0.002 0.000 0.291 184 R C 0.096 176.066 176.300 -0.549 0.000 1.070 184 R CA -0.060 55.642 56.100 -0.664 0.000 1.014 184 R CB 0.524 30.174 30.300 -1.083 0.000 1.007 184 R HN 0.758 nan 8.270 nan 0.000 0.466 185 I N 1.396 121.527 120.570 -0.732 0.000 3.339 185 I HA 0.034 4.205 4.170 0.002 0.000 0.285 185 I C 1.122 176.931 176.117 -0.514 0.000 1.201 185 I CA 0.751 61.765 61.300 -0.477 0.000 1.434 185 I CB -0.134 37.567 38.000 -0.499 0.000 1.152 185 I HN 0.509 nan 8.210 nan 0.000 0.443 186 T N -1.271 112.776 114.554 -0.845 0.000 2.906 186 T HA 0.397 4.748 4.350 0.002 0.000 0.295 186 T C -1.379 172.773 174.700 -0.914 0.000 1.061 186 T CA -0.296 61.421 62.100 -0.638 0.000 1.000 186 T CB 1.280 69.846 68.868 -0.503 0.000 1.103 186 T HN 0.147 nan 8.240 nan 0.000 0.486 187 W N 1.047 122.236 121.300 -0.185 0.000 2.324 187 W HA 0.238 4.899 4.660 0.002 0.000 0.316 187 W C 1.852 178.316 176.519 -0.091 0.000 0.927 187 W CA 0.030 57.303 57.345 -0.119 0.000 1.438 187 W CB -0.267 29.143 29.460 -0.083 0.000 1.085 187 W HN 0.784 nan 8.180 nan 0.000 0.532 188 T N -2.468 112.119 114.554 0.054 0.000 3.081 188 T HA 0.268 4.619 4.350 0.002 0.000 0.250 188 T C 1.288 175.974 174.700 -0.024 0.000 1.100 188 T CA 0.294 62.411 62.100 0.029 0.000 1.038 188 T CB -0.233 68.651 68.868 0.026 0.000 0.962 188 T HN 0.030 nan 8.240 nan 0.000 0.516 189 G N 1.446 110.198 108.800 -0.080 0.000 2.225 189 G HA2 0.315 4.276 3.960 0.002 0.000 0.245 189 G HA3 0.315 4.276 3.960 0.002 0.000 0.245 189 G C -0.564 174.265 174.900 -0.119 0.000 1.249 189 G CA -0.356 44.672 45.100 -0.119 0.000 0.919 189 G HN 0.592 nan 8.290 nan 0.000 0.486 190 K N 2.203 122.512 120.400 -0.152 0.000 2.615 190 K HA 0.201 4.522 4.320 0.002 0.000 0.249 190 K C -0.023 176.449 176.600 -0.214 0.000 0.977 190 K CA -0.688 55.514 56.287 -0.141 0.000 0.833 190 K CB 1.400 33.855 32.500 -0.074 0.000 1.208 190 K HN 0.623 nan 8.250 nan 0.000 0.443 191 E N 3.472 123.552 120.200 -0.200 0.000 2.765 191 E HA -0.189 4.162 4.350 0.002 0.000 0.256 191 E C -0.557 175.947 176.600 -0.160 0.000 0.935 191 E CA 1.167 57.447 56.400 -0.201 0.000 0.954 191 E CB 0.233 29.855 29.700 -0.130 0.000 0.908 191 E HN 0.692 nan 8.360 nan 0.000 0.500 192 D N 2.485 122.776 120.400 -0.182 0.000 3.059 192 D HA -0.236 4.405 4.640 0.002 0.000 0.213 192 D C 0.494 176.847 176.300 0.088 0.000 1.144 192 D CA 1.341 55.367 54.000 0.043 0.000 0.975 192 D CB -0.469 40.389 40.800 0.095 0.000 1.125 192 D HN 0.421 nan 8.370 nan 0.000 0.412 193 I N -0.954 119.570 120.570 -0.076 0.000 3.746 193 I HA 0.147 4.318 4.170 0.002 0.000 0.262 193 I C 0.862 177.051 176.117 0.120 0.000 1.153 193 I CA 0.414 61.759 61.300 0.075 0.000 1.395 193 I CB 0.283 38.303 38.000 0.033 0.000 1.589 193 I HN -0.113 nan 8.210 nan 0.000 0.441 194 I N 1.753 122.294 120.570 -0.049 0.000 2.389 194 I HA 0.253 4.424 4.170 0.002 0.000 0.288 194 I C -1.394 174.691 176.117 -0.053 0.000 0.999 194 I CA -0.468 60.870 61.300 0.062 0.000 1.129 194 I CB 1.393 39.412 38.000 0.031 0.000 1.288 194 I HN 0.033 nan 8.210 nan 0.000 0.444 195 Y N 4.615 124.995 120.300 0.132 0.000 2.328 195 Y HA 0.374 4.925 4.550 0.002 0.000 0.333 195 Y C 0.269 176.205 175.900 0.060 0.000 0.958 195 Y CA -0.946 57.228 58.100 0.125 0.000 1.167 195 Y CB 0.980 39.598 38.460 0.263 0.000 1.151 195 Y HN 0.417 nan 8.280 nan 0.000 0.470 196 N N 2.183 120.922 118.700 0.066 0.000 2.444 196 N HA 0.354 5.095 4.740 0.002 0.000 0.262 196 N C 0.862 176.281 175.510 -0.152 0.000 0.974 196 N CA 0.470 53.480 53.050 -0.066 0.000 0.933 196 N CB 1.850 40.197 38.487 -0.234 0.000 1.137 196 N HN 0.985 nan 8.380 nan 0.000 0.498 197 G N 1.608 110.334 108.800 -0.123 0.000 2.205 197 G HA2 -0.256 3.705 3.960 0.002 0.000 0.261 197 G HA3 -0.256 3.705 3.960 0.002 0.000 0.261 197 G C 0.140 174.878 174.900 -0.270 0.000 0.980 197 G CA 0.720 45.681 45.100 -0.232 0.000 0.632 197 G HN 0.653 nan 8.290 nan 0.000 0.533 198 I N -1.592 118.895 120.570 -0.138 0.000 2.934 198 I HA 0.808 4.979 4.170 0.002 0.000 0.306 198 I C 0.320 176.497 176.117 0.100 0.000 1.110 198 I CA -0.652 60.497 61.300 -0.251 0.000 1.019 198 I CB 2.019 39.690 38.000 -0.549 0.000 1.227 198 I HN 0.169 nan 8.210 nan 0.000 0.434 199 T N -0.441 114.120 114.554 0.012 0.000 2.899 199 T HA 0.377 4.728 4.350 0.002 0.000 0.284 199 T C -0.207 174.358 174.700 -0.224 0.000 1.004 199 T CA -0.666 61.332 62.100 -0.170 0.000 1.043 199 T CB 1.318 70.134 68.868 -0.087 0.000 1.013 199 T HN 0.760 nan 8.240 nan 0.000 0.518 200 D N 0.246 120.261 120.400 -0.643 0.000 2.478 200 D HA 0.043 4.684 4.640 0.002 0.000 0.269 200 D C 0.972 177.204 176.300 -0.114 0.000 1.232 200 D CA -1.117 52.480 54.000 -0.671 0.000 1.059 200 D CB 0.142 40.474 40.800 -0.781 0.000 1.104 200 D HN 0.707 nan 8.370 nan 0.000 0.566 201 W N 0.238 121.494 121.300 -0.074 0.000 2.317 201 W HA -0.245 4.416 4.660 0.002 0.000 0.318 201 W C 2.173 178.588 176.519 -0.173 0.000 1.227 201 W CA 2.548 59.837 57.345 -0.094 0.000 1.269 201 W CB -0.479 28.864 29.460 -0.195 0.000 1.155 201 W HN 0.195 nan 8.180 nan 0.000 0.484 202 V N -0.219 119.762 119.914 0.111 0.000 2.515 202 V HA -0.284 3.837 4.120 0.002 0.000 0.250 202 V C 1.859 177.767 176.094 -0.310 0.000 1.058 202 V CA 1.982 64.221 62.300 -0.102 0.000 1.064 202 V CB -0.732 31.054 31.823 -0.061 0.000 0.675 202 V HN 0.306 nan 8.190 nan 0.000 0.461 203 Y N 0.689 120.791 120.300 -0.329 0.000 2.314 203 Y HA -0.153 4.398 4.550 0.002 0.000 0.293 203 Y C 2.555 178.329 175.900 -0.210 0.000 1.129 203 Y CA 2.054 59.959 58.100 -0.325 0.000 1.201 203 Y CB -0.046 38.087 38.460 -0.545 0.000 0.999 203 Y HN 0.426 nan 8.280 nan 0.000 0.541 204 E N 0.428 120.574 120.200 -0.089 0.000 2.028 204 E HA -0.284 4.067 4.350 0.002 0.000 0.191 204 E C 2.026 178.568 176.600 -0.096 0.000 0.988 204 E CA 1.547 57.927 56.400 -0.032 0.000 0.799 204 E CB -0.050 29.632 29.700 -0.029 0.000 0.755 204 E HN 0.403 nan 8.360 nan 0.000 0.447 205 E N 0.182 120.130 120.200 -0.420 0.000 2.072 205 E HA -0.159 4.192 4.350 0.002 0.000 0.190 205 E C 1.638 178.099 176.600 -0.231 0.000 0.982 205 E CA 1.520 57.660 56.400 -0.432 0.000 0.803 205 E CB 0.168 29.250 29.700 -1.031 0.000 0.755 205 E HN 0.247 nan 8.360 nan 0.000 0.453 206 E N -0.681 119.357 120.200 -0.269 0.000 2.431 206 E HA 0.051 4.402 4.350 0.002 0.000 0.200 206 E C 1.645 178.098 176.600 -0.247 0.000 0.995 206 E CA 0.740 57.026 56.400 -0.189 0.000 0.915 206 E CB 1.211 30.795 29.700 -0.193 0.000 0.930 206 E HN 0.300 nan 8.360 nan 0.000 0.496 207 V N -1.832 117.890 119.914 -0.321 0.000 3.137 207 V HA 0.162 4.283 4.120 0.002 0.000 0.236 207 V C 0.907 176.755 176.094 -0.410 0.000 1.260 207 V CA 0.252 62.287 62.300 -0.442 0.000 1.244 207 V CB -0.036 31.352 31.823 -0.726 0.000 1.016 207 V HN -0.019 nan 8.190 nan 0.000 0.477 208 F N 1.476 121.434 119.950 0.013 0.000 2.720 208 F HA 0.488 5.016 4.527 0.002 0.000 0.301 208 F C 1.561 177.327 175.800 -0.056 0.000 1.103 208 F CA 0.384 58.412 58.000 0.047 0.000 1.291 208 F CB 0.001 39.080 39.000 0.131 0.000 1.086 208 F HN 0.172 nan 8.300 nan 0.000 0.592 209 S N 0.652 116.369 115.700 0.028 0.000 3.549 209 S HA 0.010 4.481 4.470 0.002 0.000 0.366 209 S C 0.097 174.327 174.600 -0.618 0.000 1.012 209 S CA 0.473 58.557 58.200 -0.194 0.000 1.141 209 S CB -1.743 61.380 63.200 -0.129 0.000 0.910 209 S HN 0.665 nan 8.310 nan 0.000 0.471 210 A N -0.577 122.098 122.820 -0.241 0.000 2.586 210 A HA 0.690 5.011 4.320 0.002 0.000 0.291 210 A C -0.346 177.231 177.584 -0.013 0.000 1.062 210 A CA -0.478 51.433 52.037 -0.210 0.000 0.666 210 A CB 0.220 19.089 19.000 -0.219 0.000 1.281 210 A HN 0.361 nan 8.150 nan 0.000 0.421 211 Y N 1.106 121.260 120.300 -0.244 0.000 2.448 211 Y HA 0.253 4.804 4.550 0.002 0.000 0.289 211 Y C 1.487 177.100 175.900 -0.478 0.000 1.114 211 Y CA 0.882 58.844 58.100 -0.231 0.000 1.235 211 Y CB 0.044 38.420 38.460 -0.141 0.000 1.045 211 Y HN 0.673 nan 8.280 nan 0.000 0.554 212 S N 0.614 115.785 115.700 -0.882 0.000 2.549 212 S HA 0.462 4.933 4.470 0.002 0.000 0.283 212 S C 0.359 174.415 174.600 -0.906 0.000 1.320 212 S CA 0.216 57.638 58.200 -1.297 0.000 1.058 212 S CB 0.488 62.576 63.200 -1.853 0.000 0.882 212 S HN 0.423 nan 8.310 nan 0.000 0.498 213 A N 4.370 126.662 122.820 -0.879 0.000 2.663 213 A HA 0.506 4.827 4.320 0.002 0.000 0.273 213 A C -0.737 176.158 177.584 -1.148 0.000 0.932 213 A CA -0.594 50.885 52.037 -0.929 0.000 1.055 213 A CB -0.341 18.546 19.000 -0.188 0.000 1.206 213 A HN 0.876 nan 8.150 nan 0.000 0.485 214 L N -4.835 115.575 121.223 -1.355 0.000 2.401 214 L HA 0.912 5.253 4.340 0.002 0.000 0.266 214 L C -1.285 175.070 176.870 -0.858 0.000 0.991 214 L CA -1.094 53.266 54.840 -0.800 0.000 0.818 214 L CB 1.132 42.937 42.059 -0.424 0.000 1.321 214 L HN 0.209 nan 8.230 nan 0.000 0.413 215 W N 1.921 123.251 121.300 0.051 0.000 2.687 215 W HA 0.325 4.986 4.660 0.002 0.000 0.328 215 W C -1.417 175.317 176.519 0.358 0.000 1.012 215 W CA -0.773 56.723 57.345 0.251 0.000 1.262 215 W CB 1.512 31.176 29.460 0.339 0.000 1.331 215 W HN 0.622 nan 8.180 nan 0.000 0.433 216 W N 2.378 123.885 121.300 0.344 0.000 2.170 216 W HA 0.213 4.874 4.660 0.002 0.000 0.336 216 W C 1.313 177.667 176.519 -0.275 0.000 1.283 216 W CA 0.371 57.782 57.345 0.110 0.000 1.224 216 W CB 0.802 30.300 29.460 0.065 0.000 1.132 216 W HN 0.183 nan 8.180 nan 0.000 0.571 217 S N 2.191 117.650 115.700 -0.401 0.000 2.624 217 S HA 0.237 4.708 4.470 0.002 0.000 0.263 217 S C -1.808 172.528 174.600 -0.440 0.000 1.287 217 S CA -1.040 56.350 58.200 -1.350 0.000 0.990 217 S CB 1.040 63.498 63.200 -1.236 0.000 0.950 217 S HN 0.271 nan 8.310 nan 0.000 0.561 218 P HA -0.192 nan 4.420 nan 0.000 0.217 218 P C 0.856 178.121 177.300 -0.057 0.000 1.162 218 P CA 1.856 64.916 63.100 -0.065 0.000 0.901 218 P CB -0.228 31.480 31.700 0.013 0.000 0.793 219 N N -2.073 116.582 118.700 -0.075 0.000 2.268 219 N HA 0.139 4.880 4.740 0.002 0.000 0.204 219 N C 1.053 176.490 175.510 -0.121 0.000 1.124 219 N CA 0.521 53.525 53.050 -0.078 0.000 0.838 219 N CB -0.722 37.732 38.487 -0.054 0.000 0.994 219 N HN 0.229 nan 8.380 nan 0.000 0.489 220 G N -1.040 107.693 108.800 -0.113 0.000 2.179 220 G HA2 -0.353 3.608 3.960 0.002 0.000 0.260 220 G HA3 -0.353 3.608 3.960 0.002 0.000 0.260 220 G C 1.017 175.946 174.900 0.049 0.000 0.977 220 G CA 0.756 45.791 45.100 -0.109 0.000 0.641 220 G HN 0.378 nan 8.290 nan 0.000 0.533 221 T N 0.030 114.534 114.554 -0.083 0.000 2.708 221 T HA 0.176 4.527 4.350 0.002 0.000 0.266 221 T C 0.841 175.356 174.700 -0.309 0.000 1.037 221 T CA 1.389 63.330 62.100 -0.265 0.000 1.146 221 T CB -0.094 68.476 68.868 -0.497 0.000 0.865 221 T HN 0.300 nan 8.240 nan 0.000 0.435 222 F N 0.208 120.191 119.950 0.055 0.000 2.458 222 F HA 0.633 5.161 4.527 0.002 0.000 0.330 222 F C -0.247 175.614 175.800 0.101 0.000 1.082 222 F CA -1.685 56.378 58.000 0.104 0.000 0.995 222 F CB 1.241 40.363 39.000 0.203 0.000 1.170 222 F HN -0.116 nan 8.300 nan 0.000 0.478 223 L N 2.783 124.149 121.223 0.238 0.000 2.372 223 L HA 0.802 5.143 4.340 0.002 0.000 0.273 223 L C -0.702 176.249 176.870 0.135 0.000 0.989 223 L CA -0.488 54.295 54.840 -0.094 0.000 0.841 223 L CB 0.697 42.415 42.059 -0.569 0.000 1.225 223 L HN 0.655 nan 8.230 nan 0.000 0.414 224 A N 4.632 127.618 122.820 0.277 0.000 2.303 224 A HA 0.807 5.128 4.320 0.002 0.000 0.317 224 A C -1.366 176.278 177.584 0.100 0.000 1.149 224 A CA -0.230 51.853 52.037 0.077 0.000 0.822 224 A CB 0.630 19.742 19.000 0.188 0.000 1.131 224 A HN 0.917 nan 8.150 nan 0.000 0.493 225 Y N -1.872 118.190 120.300 -0.396 0.000 2.624 225 Y HA 0.743 5.294 4.550 0.002 0.000 0.334 225 Y C -0.394 175.335 175.900 -0.285 0.000 1.155 225 Y CA -0.906 57.060 58.100 -0.223 0.000 1.046 225 Y CB 0.831 39.132 38.460 -0.265 0.000 1.316 225 Y HN 0.940 nan 8.280 nan 0.000 0.457 226 A N 2.174 125.053 122.820 0.099 0.000 2.320 226 A HA 0.686 5.007 4.320 0.002 0.000 0.334 226 A C -1.178 176.270 177.584 -0.225 0.000 1.147 226 A CA -0.841 51.133 52.037 -0.105 0.000 0.820 226 A CB 1.727 20.639 19.000 -0.147 0.000 1.218 226 A HN 0.809 nan 8.150 nan 0.000 0.482 227 Q N 1.120 120.723 119.800 -0.329 0.000 2.321 227 Q HA 0.601 4.942 4.340 0.002 0.000 0.270 227 Q C -2.057 173.698 176.000 -0.409 0.000 1.032 227 Q CA -0.365 55.333 55.803 -0.176 0.000 0.784 227 Q CB 1.077 29.920 28.738 0.175 0.000 1.264 227 Q HN 0.595 nan 8.270 nan 0.000 0.448 228 F N 2.231 122.280 119.950 0.165 0.000 2.480 228 F HA 0.435 4.963 4.527 0.002 0.000 0.329 228 F C 0.369 176.322 175.800 0.255 0.000 1.091 228 F CA -0.935 57.140 58.000 0.126 0.000 0.972 228 F CB 1.463 40.438 39.000 -0.042 0.000 1.150 228 F HN 0.443 nan 8.300 nan 0.000 0.467 229 N N 1.600 120.532 118.700 0.386 0.000 2.483 229 N HA 0.229 4.970 4.740 0.002 0.000 0.267 229 N C -0.859 174.831 175.510 0.301 0.000 0.998 229 N CA -0.387 52.852 53.050 0.314 0.000 0.918 229 N CB 1.003 39.619 38.487 0.215 0.000 1.215 229 N HN 0.501 nan 8.380 nan 0.000 0.500 230 D N 1.539 122.143 120.400 0.340 0.000 2.368 230 D HA 0.116 4.757 4.640 0.002 0.000 0.218 230 D C 1.218 177.641 176.300 0.205 0.000 1.112 230 D CA 0.180 54.351 54.000 0.285 0.000 0.834 230 D CB 0.444 41.471 40.800 0.377 0.000 0.953 230 D HN 0.500 nan 8.370 nan 0.000 0.505 231 T N 0.573 115.230 114.554 0.172 0.000 2.624 231 T HA -0.253 4.098 4.350 0.002 0.000 0.266 231 T C 1.304 176.064 174.700 0.101 0.000 1.050 231 T CA 1.495 63.668 62.100 0.121 0.000 1.163 231 T CB -0.084 68.845 68.868 0.102 0.000 0.861 231 T HN 0.317 nan 8.240 nan 0.000 0.443 232 E N 0.232 120.492 120.200 0.099 0.000 2.465 232 E HA 0.194 4.545 4.350 0.002 0.000 0.195 232 E C -0.492 176.159 176.600 0.086 0.000 1.028 232 E CA -0.283 56.165 56.400 0.080 0.000 0.899 232 E CB 0.584 30.323 29.700 0.066 0.000 1.032 232 E HN 0.202 nan 8.360 nan 0.000 0.468 233 V N 3.336 123.316 119.914 0.109 0.000 2.508 233 V HA 0.092 4.213 4.120 0.002 0.000 0.281 233 V C -1.968 174.186 176.094 0.100 0.000 1.041 233 V CA -1.442 60.926 62.300 0.113 0.000 1.016 233 V CB 0.473 32.382 31.823 0.144 0.000 0.984 233 V HN 0.055 nan 8.190 nan 0.000 0.478 234 P HA 0.255 nan 4.420 nan 0.000 0.272 234 P C -0.777 176.565 177.300 0.070 0.000 1.230 234 P CA -0.245 62.896 63.100 0.069 0.000 0.788 234 P CB 0.496 32.234 31.700 0.064 0.000 0.949 235 L N 1.906 123.148 121.223 0.031 0.000 2.307 235 L HA 0.464 4.805 4.340 0.002 0.000 0.284 235 L C 0.225 177.055 176.870 -0.068 0.000 1.023 235 L CA -0.990 53.852 54.840 0.003 0.000 0.810 235 L CB 1.125 43.179 42.059 -0.008 0.000 1.231 235 L HN 0.285 nan 8.230 nan 0.000 0.423 236 I N 2.586 123.072 120.570 -0.140 0.000 2.396 236 I HA 0.252 4.423 4.170 0.002 0.000 0.292 236 I C -0.331 175.643 176.117 -0.237 0.000 0.999 236 I CA 0.205 61.325 61.300 -0.300 0.000 1.310 236 I CB 0.902 38.477 38.000 -0.708 0.000 1.404 236 I HN 0.573 nan 8.210 nan 0.000 0.496 237 E N 7.443 127.522 120.200 -0.202 0.000 2.222 237 E HA 0.527 4.878 4.350 0.002 0.000 0.267 237 E C -1.766 174.766 176.600 -0.114 0.000 0.884 237 E CA -0.599 55.677 56.400 -0.207 0.000 0.764 237 E CB 2.020 31.629 29.700 -0.151 0.000 1.169 237 E HN 0.577 nan 8.360 nan 0.000 0.413 238 Y N -1.752 118.461 120.300 -0.145 0.000 2.609 238 Y HA 0.558 5.109 4.550 0.002 0.000 0.336 238 Y C -0.694 175.136 175.900 -0.115 0.000 1.129 238 Y CA -1.281 56.740 58.100 -0.132 0.000 1.040 238 Y CB 0.899 39.285 38.460 -0.123 0.000 1.310 238 Y HN 0.217 nan 8.280 nan 0.000 0.460 239 S N 1.840 117.539 115.700 -0.001 0.000 2.584 239 S HA 0.495 4.966 4.470 0.002 0.000 0.273 239 S C -1.430 173.037 174.600 -0.221 0.000 1.311 239 S CA -0.384 57.674 58.200 -0.236 0.000 1.034 239 S CB 0.536 63.446 63.200 -0.485 0.000 0.939 239 S HN 0.535 nan 8.310 nan 0.000 0.513 240 F N 2.135 121.831 119.950 -0.423 0.000 2.507 240 F HA 0.431 4.959 4.527 0.002 0.000 0.328 240 F C -0.332 175.241 175.800 -0.378 0.000 1.136 240 F CA -0.933 56.912 58.000 -0.257 0.000 0.930 240 F CB 0.812 39.779 39.000 -0.054 0.000 1.166 240 F HN 0.647 nan 8.300 nan 0.000 0.436 241 Y N 2.765 122.821 120.300 -0.407 0.000 2.448 241 Y HA 0.117 4.668 4.550 0.002 0.000 0.289 241 Y C 1.735 177.533 175.900 -0.170 0.000 1.114 241 Y CA 1.049 59.013 58.100 -0.227 0.000 1.235 241 Y CB -0.570 37.757 38.460 -0.222 0.000 1.045 241 Y HN 0.741 nan 8.280 nan 0.000 0.554 242 S N -0.176 115.381 115.700 -0.239 0.000 3.307 242 S HA -0.232 4.240 4.470 0.002 0.000 0.634 242 S C -0.422 174.213 174.600 0.057 0.000 2.711 242 S CA 0.383 58.619 58.200 0.060 0.000 2.940 242 S CB -1.155 62.205 63.200 0.268 0.000 0.331 242 S HN 0.473 nan 8.310 nan 0.000 1.766 243 D N 1.555 122.014 120.400 0.099 0.000 2.400 243 D HA 0.125 4.766 4.640 0.002 0.000 0.238 243 D C 1.386 177.716 176.300 0.050 0.000 1.157 243 D CA 0.365 54.405 54.000 0.067 0.000 0.889 243 D CB 0.252 41.094 40.800 0.071 0.000 1.199 243 D HN 0.632 nan 8.370 nan 0.000 0.436 244 E N 0.601 120.820 120.200 0.031 0.000 2.187 244 E HA -0.240 4.111 4.350 0.002 0.000 0.199 244 E C 1.587 178.199 176.600 0.021 0.000 1.004 244 E CA 1.370 57.780 56.400 0.018 0.000 0.813 244 E CB 0.146 29.850 29.700 0.008 0.000 0.736 244 E HN 0.453 nan 8.360 nan 0.000 0.468 245 S N 0.040 115.759 115.700 0.031 0.000 2.474 245 S HA -0.070 4.401 4.470 0.002 0.000 0.235 245 S C 1.124 175.749 174.600 0.042 0.000 0.997 245 S CA 0.018 58.237 58.200 0.032 0.000 0.949 245 S CB -0.162 63.059 63.200 0.035 0.000 0.766 245 S HN 0.245 nan 8.310 nan 0.000 0.517 246 L N 2.379 123.636 121.223 0.055 0.000 2.456 246 L HA 0.145 4.486 4.340 0.002 0.000 0.277 246 L C 1.599 178.503 176.870 0.057 0.000 1.124 246 L CA 0.007 54.892 54.840 0.074 0.000 0.880 246 L CB 0.937 43.053 42.059 0.095 0.000 1.192 246 L HN 0.435 nan 8.230 nan 0.000 0.463 247 Q N 4.092 123.933 119.800 0.068 0.000 2.079 247 Q HA -0.103 4.238 4.340 0.002 0.000 0.200 247 Q C -0.616 175.313 176.000 -0.118 0.000 0.974 247 Q CA 1.377 57.171 55.803 -0.014 0.000 0.840 247 Q CB 0.218 28.977 28.738 0.035 0.000 0.898 247 Q HN 0.588 nan 8.270 nan 0.000 0.430 248 Y N 0.413 120.723 120.300 0.017 0.000 2.341 248 Y HA 0.394 4.945 4.550 0.002 0.000 0.338 248 Y C -2.081 173.821 175.900 0.005 0.000 0.965 248 Y CA -2.969 55.137 58.100 0.009 0.000 1.108 248 Y CB 1.378 39.836 38.460 -0.003 0.000 1.180 248 Y HN 0.121 nan 8.280 nan 0.000 0.458 249 P HA 0.066 nan 4.420 nan 0.000 0.269 249 P C -0.948 176.355 177.300 0.004 0.000 1.209 249 P CA -0.457 62.645 63.100 0.003 0.000 0.776 249 P CB 0.548 32.181 31.700 -0.112 0.000 0.876 250 K N 0.136 120.527 120.400 -0.014 0.000 2.118 250 K HA 0.567 4.888 4.320 0.002 0.000 0.254 250 K C -0.773 175.784 176.600 -0.072 0.000 0.961 250 K CA -0.649 55.631 56.287 -0.013 0.000 0.876 250 K CB 0.630 33.145 32.500 0.025 0.000 1.077 250 K HN 0.178 nan 8.250 nan 0.000 0.440 251 T N 1.752 116.249 114.554 -0.096 0.000 2.756 251 T HA 0.223 4.574 4.350 0.002 0.000 0.290 251 T C -0.341 174.234 174.700 -0.208 0.000 0.985 251 T CA -0.688 61.320 62.100 -0.154 0.000 0.955 251 T CB 1.052 69.843 68.868 -0.128 0.000 0.930 251 T HN 0.357 nan 8.240 nan 0.000 0.451 252 V N 6.154 125.849 119.914 -0.365 0.000 2.498 252 V HA 0.504 4.625 4.120 0.002 0.000 0.279 252 V C 0.355 176.168 176.094 -0.469 0.000 1.048 252 V CA -0.659 61.371 62.300 -0.450 0.000 0.967 252 V CB 0.639 32.034 31.823 -0.714 0.000 0.988 252 V HN 0.767 nan 8.190 nan 0.000 0.473 253 R N 4.293 124.651 120.500 -0.237 0.000 2.532 253 R HA 0.783 5.124 4.340 0.002 0.000 0.297 253 R C -1.543 174.742 176.300 -0.026 0.000 0.984 253 R CA -0.612 55.394 56.100 -0.156 0.000 0.884 253 R CB 1.680 31.920 30.300 -0.100 0.000 1.182 253 R HN 0.491 nan 8.270 nan 0.000 0.442 254 V N 1.660 121.570 119.914 -0.008 0.000 2.760 254 V HA 0.517 4.638 4.120 0.002 0.000 0.309 254 V C -2.767 173.389 176.094 0.104 0.000 1.077 254 V CA -2.437 59.934 62.300 0.118 0.000 0.910 254 V CB 2.662 34.597 31.823 0.186 0.000 1.008 254 V HN 0.586 nan 8.190 nan 0.000 0.424 255 P HA 0.183 nan 4.420 nan 0.000 0.260 255 P C -1.743 175.667 177.300 0.184 0.000 1.207 255 P CA 0.672 63.884 63.100 0.187 0.000 0.780 255 P CB -0.397 31.456 31.700 0.255 0.000 0.789 256 Y N 6.745 127.024 120.300 -0.034 0.000 2.315 256 Y HA 0.405 4.956 4.550 0.002 0.000 0.324 256 Y C -2.734 173.139 175.900 -0.045 0.000 1.062 256 Y CA -2.937 55.091 58.100 -0.121 0.000 1.159 256 Y CB 1.848 40.114 38.460 -0.323 0.000 1.145 256 Y HN 0.276 nan 8.280 nan 0.000 0.442 257 P HA 0.281 nan 4.420 nan 0.000 0.292 257 P C -1.007 176.348 177.300 0.092 0.000 1.326 257 P CA -0.300 62.849 63.100 0.081 0.000 0.787 257 P CB 1.545 33.272 31.700 0.046 0.000 0.903 258 K N 1.970 122.507 120.400 0.228 0.000 2.102 258 K HA 0.520 4.841 4.320 0.002 0.000 0.244 258 K C 0.540 177.241 176.600 0.168 0.000 1.021 258 K CA -0.747 55.691 56.287 0.252 0.000 0.913 258 K CB 0.593 33.256 32.500 0.271 0.000 1.062 258 K HN 0.445 nan 8.250 nan 0.000 0.485 259 A N 0.724 123.667 122.820 0.206 0.000 2.573 259 A HA 0.265 4.586 4.320 0.002 0.000 0.250 259 A C 1.176 178.797 177.584 0.062 0.000 1.049 259 A CA 1.068 53.213 52.037 0.179 0.000 0.767 259 A CB -1.279 17.917 19.000 0.327 0.000 0.965 259 A HN 0.904 nan 8.150 nan 0.000 0.514 260 G N 0.958 109.783 108.800 0.041 0.000 2.205 260 G HA2 0.104 4.065 3.960 0.002 0.000 0.261 260 G HA3 0.104 4.065 3.960 0.002 0.000 0.261 260 G C 0.683 175.593 174.900 0.017 0.000 0.980 260 G CA 0.758 45.855 45.100 -0.005 0.000 0.632 260 G HN 2.170 nan 8.290 nan 0.000 0.533 261 A N -0.382 122.467 122.820 0.048 0.000 2.249 261 A HA 0.746 5.067 4.320 0.002 0.000 0.281 261 A C 0.859 178.474 177.584 0.052 0.000 1.127 261 A CA 0.318 52.387 52.037 0.054 0.000 0.833 261 A CB 0.622 19.671 19.000 0.080 0.000 1.140 261 A HN 1.156 nan 8.150 nan 0.000 0.502 262 V N 2.310 122.257 119.914 0.055 0.000 2.529 262 V HA 0.037 4.158 4.120 0.002 0.000 0.292 262 V C 0.304 176.442 176.094 0.074 0.000 1.028 262 V CA -0.081 62.252 62.300 0.055 0.000 1.074 262 V CB -0.126 31.731 31.823 0.056 0.000 0.958 262 V HN 0.781 nan 8.190 nan 0.000 0.481 263 N N 6.334 125.075 118.700 0.070 0.000 2.495 263 N HA 0.478 5.219 4.740 0.002 0.000 0.280 263 N C -2.315 173.275 175.510 0.134 0.000 1.168 263 N CA -1.485 51.628 53.050 0.104 0.000 0.978 263 N CB 1.236 39.778 38.487 0.091 0.000 1.191 263 N HN 0.406 nan 8.380 nan 0.000 0.497 264 P HA 0.124 nan 4.420 nan 0.000 0.274 264 P C -0.518 176.938 177.300 0.259 0.000 1.237 264 P CA -0.178 63.071 63.100 0.248 0.000 0.793 264 P CB 0.484 32.369 31.700 0.308 0.000 0.977 265 T N -2.048 112.646 114.554 0.234 0.000 2.952 265 T HA 0.604 4.955 4.350 0.002 0.000 0.286 265 T C -0.311 174.541 174.700 0.253 0.000 1.024 265 T CA -0.853 61.352 62.100 0.176 0.000 1.029 265 T CB 1.492 70.423 68.868 0.105 0.000 1.094 265 T HN 0.353 nan 8.240 nan 0.000 0.515 266 V N 0.192 120.235 119.914 0.215 0.000 2.925 266 V HA 0.760 4.881 4.120 0.002 0.000 0.311 266 V C -1.539 174.666 176.094 0.184 0.000 1.104 266 V CA -0.852 61.552 62.300 0.173 0.000 0.954 266 V CB 2.093 34.070 31.823 0.256 0.000 1.022 266 V HN 1.051 nan 8.190 nan 0.000 0.427 267 K N 4.118 124.564 120.400 0.076 0.000 2.443 267 K HA 0.614 4.935 4.320 0.002 0.000 0.251 267 K C -1.966 174.609 176.600 -0.043 0.000 0.972 267 K CA -0.520 55.783 56.287 0.026 0.000 0.833 267 K CB 2.781 35.291 32.500 0.016 0.000 1.317 267 K HN 0.551 nan 8.250 nan 0.000 0.441 268 F N 1.882 121.564 119.950 -0.447 0.000 2.540 268 F HA 0.580 5.108 4.527 0.002 0.000 0.317 268 F C -1.569 173.716 175.800 -0.858 0.000 1.104 268 F CA -0.684 57.042 58.000 -0.456 0.000 0.913 268 F CB 0.966 39.820 39.000 -0.243 0.000 1.170 268 F HN 0.386 nan 8.300 nan 0.000 0.450 269 F N 3.685 122.919 119.950 -1.193 0.000 2.613 269 F HA 0.780 5.308 4.527 0.002 0.000 0.314 269 F C -1.024 174.135 175.800 -1.069 0.000 1.075 269 F CA -1.243 56.168 58.000 -0.981 0.000 0.945 269 F CB 2.041 40.412 39.000 -1.049 0.000 1.310 269 F HN 0.147 nan 8.300 nan 0.000 0.467 270 V N 2.268 121.970 119.914 -0.353 0.000 2.686 270 V HA 0.659 4.780 4.120 0.002 0.000 0.306 270 V C -1.227 174.951 176.094 0.140 0.000 1.065 270 V CA -0.824 61.343 62.300 -0.222 0.000 0.894 270 V CB 2.031 33.499 31.823 -0.591 0.000 1.004 270 V HN 0.641 nan 8.190 nan 0.000 0.424 271 V N 4.293 124.365 119.914 0.263 0.000 2.680 271 V HA 0.557 4.678 4.120 0.002 0.000 0.309 271 V C -0.268 176.069 176.094 0.406 0.000 1.052 271 V CA -0.627 61.859 62.300 0.311 0.000 0.908 271 V CB 2.066 34.004 31.823 0.192 0.000 1.001 271 V HN 1.006 nan 8.190 nan 0.000 0.431 272 N N 2.956 121.859 118.700 0.339 0.000 2.437 272 N HA 0.183 4.924 4.740 0.002 0.000 0.243 272 N C 1.026 176.525 175.510 -0.018 0.000 1.041 272 N CA 0.279 53.394 53.050 0.108 0.000 0.940 272 N CB 1.148 39.688 38.487 0.087 0.000 1.133 272 N HN 0.898 nan 8.380 nan 0.000 0.506 273 T N -0.191 114.334 114.554 -0.048 0.000 3.160 273 T HA 0.020 4.371 4.350 0.002 0.000 0.257 273 T C 0.425 175.065 174.700 -0.099 0.000 1.147 273 T CA 0.465 62.539 62.100 -0.043 0.000 1.064 273 T CB 0.088 69.020 68.868 0.107 0.000 0.949 273 T HN 0.407 nan 8.240 nan 0.000 0.526 274 D N 0.785 121.106 120.400 -0.132 0.000 2.389 274 D HA 0.168 4.809 4.640 0.002 0.000 0.206 274 D C 0.605 176.844 176.300 -0.101 0.000 1.055 274 D CA 0.190 54.118 54.000 -0.120 0.000 0.856 274 D CB 0.433 41.148 40.800 -0.142 0.000 0.957 274 D HN 0.324 nan 8.370 nan 0.000 0.509 275 S N 0.998 116.642 115.700 -0.093 0.000 2.449 275 S HA 0.248 4.719 4.470 0.002 0.000 0.237 275 S C 0.201 174.757 174.600 -0.074 0.000 1.214 275 S CA -0.499 57.670 58.200 -0.051 0.000 1.226 275 S CB -0.056 63.148 63.200 0.008 0.000 0.904 275 S HN 0.216 nan 8.310 nan 0.000 0.490 276 L N -0.807 120.308 121.223 -0.181 0.000 2.346 276 L HA 0.744 5.085 4.340 0.002 0.000 0.274 276 L C 0.663 177.408 176.870 -0.207 0.000 1.007 276 L CA -0.784 53.895 54.840 -0.270 0.000 0.818 276 L CB 1.691 43.391 42.059 -0.599 0.000 1.284 276 L HN 0.207 nan 8.230 nan 0.000 0.424 277 S N 1.561 117.270 115.700 0.015 0.000 2.338 277 S HA 0.166 4.637 4.470 0.002 0.000 0.197 277 S C 0.935 175.813 174.600 0.462 0.000 0.990 277 S CA 0.849 59.155 58.200 0.177 0.000 0.920 277 S CB -0.073 63.203 63.200 0.127 0.000 0.903 277 S HN 1.395 nan 8.310 nan 0.000 0.542 278 S N -1.545 114.391 115.700 0.394 0.000 4.504 278 S HA -0.078 4.393 4.470 0.002 0.000 0.075 278 S C 0.655 175.354 174.600 0.165 0.000 0.897 278 S CA 0.311 58.680 58.200 0.281 0.000 0.915 278 S CB -1.432 61.850 63.200 0.138 0.000 0.495 278 S HN 0.613 nan 8.310 nan 0.000 0.786 279 V N 1.815 121.820 119.914 0.150 0.000 3.307 279 V HA 0.331 4.452 4.120 0.002 0.000 0.244 279 V C 0.973 177.119 176.094 0.087 0.000 1.196 279 V CA 1.279 63.637 62.300 0.097 0.000 1.132 279 V CB 0.402 32.268 31.823 0.072 0.000 0.875 279 V HN 0.619 nan 8.190 nan 0.000 0.468 280 T N 1.742 116.358 114.554 0.103 0.000 2.909 280 T HA 0.334 4.685 4.350 0.002 0.000 0.286 280 T C -0.134 174.636 174.700 0.117 0.000 1.002 280 T CA -0.382 61.765 62.100 0.078 0.000 1.074 280 T CB 0.724 69.633 68.868 0.068 0.000 0.984 280 T HN 0.149 nan 8.240 nan 0.000 0.495 281 N N 2.173 120.918 118.700 0.075 0.000 2.401 281 N HA 0.380 5.121 4.740 0.002 0.000 0.255 281 N C 0.288 175.888 175.510 0.150 0.000 1.110 281 N CA -0.237 52.902 53.050 0.148 0.000 0.949 281 N CB 0.815 39.274 38.487 -0.047 0.000 1.110 281 N HN 0.856 nan 8.380 nan 0.000 0.490 282 A N 2.457 125.384 122.820 0.178 0.000 2.615 282 A HA 0.068 4.389 4.320 0.002 0.000 0.230 282 A C 0.349 178.004 177.584 0.118 0.000 1.062 282 A CA 0.399 52.502 52.037 0.110 0.000 0.758 282 A CB -0.052 18.987 19.000 0.065 0.000 0.995 282 A HN 0.546 nan 8.150 nan 0.000 0.511 283 T N 2.471 117.092 114.554 0.111 0.000 2.758 283 T HA 0.467 4.818 4.350 0.002 0.000 0.285 283 T C -0.048 174.749 174.700 0.162 0.000 0.981 283 T CA -0.182 61.995 62.100 0.127 0.000 0.965 283 T CB 0.969 69.913 68.868 0.127 0.000 0.927 283 T HN 0.559 nan 8.240 nan 0.000 0.448 284 S N 3.097 118.893 115.700 0.160 0.000 2.457 284 S HA 0.453 4.924 4.470 0.002 0.000 0.289 284 S C -0.069 174.701 174.600 0.284 0.000 1.163 284 S CA -0.753 57.570 58.200 0.205 0.000 1.078 284 S CB 0.242 63.508 63.200 0.109 0.000 0.987 284 S HN 0.430 nan 8.310 nan 0.000 0.482 285 I N 3.262 124.002 120.570 0.283 0.000 2.325 285 I HA 0.254 4.425 4.170 0.002 0.000 0.291 285 I C 0.522 176.736 176.117 0.161 0.000 1.019 285 I CA -0.360 61.102 61.300 0.271 0.000 1.302 285 I CB 0.817 39.051 38.000 0.391 0.000 1.401 285 I HN 0.621 nan 8.210 nan 0.000 0.485 286 Q N 6.365 126.220 119.800 0.091 0.000 2.261 286 Q HA 0.526 4.867 4.340 0.002 0.000 0.252 286 Q C -1.094 174.810 176.000 -0.161 0.000 0.915 286 Q CA -0.339 55.294 55.803 -0.282 0.000 0.915 286 Q CB 0.995 29.482 28.738 -0.417 0.000 1.204 286 Q HN 0.579 nan 8.270 nan 0.000 0.421 287 I N 4.260 124.725 120.570 -0.174 0.000 2.355 287 I HA 0.237 4.408 4.170 0.002 0.000 0.288 287 I C 0.506 176.596 176.117 -0.044 0.000 0.999 287 I CA -0.507 60.776 61.300 -0.030 0.000 1.163 287 I CB 1.570 39.603 38.000 0.056 0.000 1.316 287 I HN 0.791 nan 8.210 nan 0.000 0.454 288 T N 3.325 117.815 114.554 -0.106 0.000 2.898 288 T HA 0.852 5.204 4.350 0.002 0.000 0.283 288 T C 0.647 175.137 174.700 -0.351 0.000 1.059 288 T CA 0.260 62.239 62.100 -0.201 0.000 0.958 288 T CB 1.426 70.186 68.868 -0.181 0.000 1.594 288 T HN 0.995 nan 8.240 nan 0.000 0.598 289 A N 0.820 123.355 122.820 -0.474 0.000 6.204 289 A HA 0.013 4.334 4.320 0.002 0.000 0.272 289 A C -2.290 174.691 177.584 -1.005 0.000 2.040 289 A CA 0.166 51.856 52.037 -0.578 0.000 0.717 289 A CB -2.841 15.956 19.000 -0.340 0.000 1.126 289 A HN 1.011 nan 8.150 nan 0.000 0.378 290 P HA 0.406 nan 4.420 nan 0.000 0.274 290 P C 0.881 177.966 177.300 -0.360 0.000 1.246 290 P CA 0.635 63.492 63.100 -0.404 0.000 0.795 290 P CB 0.754 32.299 31.700 -0.259 0.000 1.006 291 A N 2.143 124.825 122.820 -0.231 0.000 1.940 291 A HA -0.197 4.124 4.320 0.002 0.000 0.219 291 A C 2.207 179.689 177.584 -0.170 0.000 1.176 291 A CA 2.454 54.380 52.037 -0.186 0.000 0.631 291 A CB -1.868 17.057 19.000 -0.126 0.000 0.814 291 A HN 0.679 nan 8.150 nan 0.000 0.446 292 S N -1.435 114.186 115.700 -0.131 0.000 2.469 292 S HA -0.085 4.386 4.470 0.002 0.000 0.238 292 S C 1.693 176.225 174.600 -0.114 0.000 0.998 292 S CA 1.515 59.663 58.200 -0.087 0.000 0.957 292 S CB -0.269 62.955 63.200 0.040 0.000 0.764 292 S HN 0.410 nan 8.310 nan 0.000 0.514 293 M N 0.739 120.206 119.600 -0.222 0.000 2.557 293 M HA 0.371 4.852 4.480 0.002 0.000 0.262 293 M C 2.020 178.078 176.300 -0.404 0.000 1.168 293 M CA 0.656 55.762 55.300 -0.324 0.000 1.194 293 M CB -1.199 31.054 32.600 -0.579 0.000 1.311 293 M HN 0.303 nan 8.290 nan 0.000 0.489 294 L N 1.261 122.220 121.223 -0.440 0.000 2.349 294 L HA -0.164 4.177 4.340 0.002 0.000 0.220 294 L C 2.292 179.099 176.870 -0.105 0.000 1.130 294 L CA 0.686 55.363 54.840 -0.271 0.000 0.791 294 L CB -0.911 41.002 42.059 -0.244 0.000 0.918 294 L HN 0.331 nan 8.230 nan 0.000 0.444 295 I N -2.660 117.845 120.570 -0.108 0.000 2.700 295 I HA 0.038 4.209 4.170 0.002 0.000 0.261 295 I C 1.088 177.186 176.117 -0.032 0.000 1.219 295 I CA 0.885 62.144 61.300 -0.068 0.000 1.463 295 I CB -0.537 37.413 38.000 -0.083 0.000 1.092 295 I HN 0.131 nan 8.210 nan 0.000 0.452 296 G N 0.035 108.837 108.800 0.004 0.000 2.650 296 G HA2 0.239 4.200 3.960 0.002 0.000 0.310 296 G HA3 0.239 4.200 3.960 0.002 0.000 0.310 296 G C -1.821 173.136 174.900 0.095 0.000 1.270 296 G CA -0.586 44.530 45.100 0.026 0.000 0.810 296 G HN 0.035 nan 8.290 nan 0.000 0.493 297 D N 1.355 121.757 120.400 0.002 0.000 2.455 297 D HA 0.420 5.061 4.640 0.002 0.000 0.241 297 D C 0.400 176.634 176.300 -0.110 0.000 1.138 297 D CA 0.730 54.668 54.000 -0.103 0.000 0.877 297 D CB 0.434 41.142 40.800 -0.152 0.000 1.187 297 D HN 0.552 nan 8.370 nan 0.000 0.451 298 H N -0.734 118.196 119.070 -0.233 0.000 2.933 298 H HA 0.474 5.031 4.556 0.002 0.000 0.310 298 H C -1.343 173.844 175.328 -0.236 0.000 1.351 298 H CA -0.795 55.121 56.048 -0.221 0.000 1.137 298 H CB 0.454 30.223 29.762 0.012 0.000 1.853 298 H HN 0.304 nan 8.280 nan 0.000 0.539 299 Y N -0.196 120.339 120.300 0.390 0.000 2.581 299 Y HA 0.415 4.966 4.550 0.002 0.000 0.345 299 Y C -0.586 175.584 175.900 0.449 0.000 1.036 299 Y CA -1.134 57.191 58.100 0.375 0.000 1.042 299 Y CB 1.982 40.505 38.460 0.105 0.000 1.289 299 Y HN 0.507 nan 8.280 nan 0.000 0.471 300 L N 2.710 124.264 121.223 0.551 0.000 2.264 300 L HA 0.474 4.815 4.340 0.002 0.000 0.289 300 L C 0.314 177.206 176.870 0.036 0.000 1.044 300 L CA -0.333 54.475 54.840 -0.053 0.000 0.807 300 L CB 0.579 42.544 42.059 -0.155 0.000 1.192 300 L HN 0.967 nan 8.230 nan 0.000 0.425 301 C N 1.281 120.472 119.300 -0.181 0.000 3.392 301 C HA 0.537 4.998 4.460 0.002 0.000 0.301 301 C C 0.152 174.981 174.990 -0.267 0.000 1.354 301 C CA -0.389 58.459 59.018 -0.283 0.000 1.732 301 C CB -0.807 26.829 27.740 -0.173 0.000 2.269 301 C HN 0.862 nan 8.230 nan 0.000 0.673 302 D N 0.119 120.388 120.400 -0.218 0.000 2.745 302 D HA 0.369 5.010 4.640 0.002 0.000 0.221 302 D C -1.819 174.212 176.300 -0.448 0.000 1.237 302 D CA 0.124 54.020 54.000 -0.172 0.000 0.781 302 D CB 2.554 43.245 40.800 -0.181 0.000 1.575 302 D HN 0.426 nan 8.370 nan 0.000 0.482 303 V N 1.091 120.667 119.914 -0.563 0.000 2.612 303 V HA 0.772 4.893 4.120 0.002 0.000 0.301 303 V C -1.663 174.046 176.094 -0.641 0.000 1.059 303 V CA 0.012 61.778 62.300 -0.891 0.000 0.886 303 V CB 1.776 32.671 31.823 -1.547 0.000 1.007 303 V HN 0.576 nan 8.190 nan 0.000 0.426 304 T N 6.285 120.556 114.554 -0.473 0.000 3.011 304 T HA 0.426 4.777 4.350 0.002 0.000 0.303 304 T C -0.992 173.576 174.700 -0.221 0.000 0.997 304 T CA -0.149 61.829 62.100 -0.203 0.000 1.007 304 T CB 0.944 69.772 68.868 -0.067 0.000 1.017 304 T HN 0.785 nan 8.240 nan 0.000 0.443 305 W N 2.134 123.384 121.300 -0.084 0.000 2.216 305 W HA 0.468 5.129 4.660 0.002 0.000 0.326 305 W C 1.160 177.558 176.519 -0.201 0.000 1.319 305 W CA -0.282 57.005 57.345 -0.097 0.000 1.213 305 W CB 0.573 30.059 29.460 0.045 0.000 1.171 305 W HN 0.856 nan 8.180 nan 0.000 0.557 306 A N 2.043 124.740 122.820 -0.204 0.000 1.920 306 A HA 0.191 4.512 4.320 0.002 0.000 0.209 306 A C 0.940 178.479 177.584 -0.076 0.000 1.229 306 A CA 1.575 53.241 52.037 -0.619 0.000 0.671 306 A CB -0.371 17.805 19.000 -1.374 0.000 0.886 306 A HN 0.543 nan 8.150 nan 0.000 0.461 307 T N -5.724 108.892 114.554 0.104 0.000 2.618 307 T HA 0.333 4.684 4.350 0.002 0.000 0.286 307 T C 0.238 175.108 174.700 0.282 0.000 1.027 307 T CA -0.295 61.911 62.100 0.178 0.000 1.063 307 T CB 0.577 69.530 68.868 0.142 0.000 1.440 307 T HN -0.043 nan 8.240 nan 0.000 0.505 308 Q N 0.403 120.332 119.800 0.215 0.000 2.170 308 Q HA 0.035 4.376 4.340 0.002 0.000 0.203 308 Q C 0.953 177.194 176.000 0.402 0.000 0.976 308 Q CA 1.554 57.486 55.803 0.215 0.000 0.858 308 Q CB -0.137 28.692 28.738 0.152 0.000 0.907 308 Q HN 0.812 nan 8.270 nan 0.000 0.433 309 E N -0.188 120.250 120.200 0.397 0.000 2.812 309 E HA 0.197 4.548 4.350 0.002 0.000 0.211 309 E C -0.227 176.638 176.600 0.441 0.000 0.986 309 E CA -0.172 56.477 56.400 0.415 0.000 1.119 309 E CB 0.983 30.833 29.700 0.251 0.000 1.046 309 E HN -0.036 nan 8.360 nan 0.000 0.474 310 R N 1.600 122.400 120.500 0.500 0.000 2.538 310 R HA 0.507 4.848 4.340 0.002 0.000 0.292 310 R C -1.732 174.619 176.300 0.084 0.000 1.008 310 R CA -0.457 55.815 56.100 0.287 0.000 0.896 310 R CB 1.335 31.683 30.300 0.079 0.000 1.187 310 R HN 0.089 nan 8.270 nan 0.000 0.440 311 I N 2.981 123.428 120.570 -0.206 0.000 2.608 311 I HA 0.440 4.611 4.170 0.002 0.000 0.295 311 I C -0.847 174.957 176.117 -0.520 0.000 1.049 311 I CA -0.521 60.361 61.300 -0.696 0.000 1.063 311 I CB 2.272 39.393 38.000 -1.464 0.000 1.248 311 I HN 0.830 nan 8.210 nan 0.000 0.424 312 S N 7.221 122.606 115.700 -0.526 0.000 2.501 312 S HA 0.792 5.263 4.470 0.002 0.000 0.301 312 S C -1.073 173.223 174.600 -0.508 0.000 1.096 312 S CA -0.719 57.255 58.200 -0.377 0.000 1.063 312 S CB 1.902 64.996 63.200 -0.176 0.000 1.042 312 S HN 0.415 nan 8.310 nan 0.000 0.494 313 L N 1.823 122.767 121.223 -0.466 0.000 2.408 313 L HA 0.551 4.892 4.340 0.002 0.000 0.268 313 L C -0.377 176.202 176.870 -0.484 0.000 0.986 313 L CA -0.240 54.212 54.840 -0.646 0.000 0.820 313 L CB 1.972 43.571 42.059 -0.767 0.000 1.303 313 L HN 0.849 nan 8.230 nan 0.000 0.411 314 Q N 1.792 121.253 119.800 -0.566 0.000 2.331 314 Q HA 0.491 4.832 4.340 0.002 0.000 0.267 314 Q C -1.685 174.061 176.000 -0.423 0.000 1.006 314 Q CA -0.464 55.132 55.803 -0.344 0.000 0.818 314 Q CB 2.128 30.720 28.738 -0.244 0.000 1.276 314 Q HN 0.501 nan 8.270 nan 0.000 0.450 315 W N 2.617 123.870 121.300 -0.079 0.000 2.689 315 W HA 0.628 5.289 4.660 0.002 0.000 0.340 315 W C -0.911 175.638 176.519 0.051 0.000 1.060 315 W CA -0.658 56.691 57.345 0.006 0.000 1.218 315 W CB 1.106 30.550 29.460 -0.026 0.000 1.410 315 W HN 0.380 nan 8.180 nan 0.000 0.528 316 L N 2.674 124.123 121.223 0.376 0.000 2.410 316 L HA 0.573 4.914 4.340 0.002 0.000 0.270 316 L C -0.073 176.990 176.870 0.320 0.000 0.983 316 L CA -1.104 53.919 54.840 0.304 0.000 0.822 316 L CB 1.339 43.555 42.059 0.263 0.000 1.285 316 L HN 0.414 nan 8.230 nan 0.000 0.409 317 R N 2.306 122.957 120.500 0.251 0.000 2.738 317 R HA 0.214 4.555 4.340 0.002 0.000 0.268 317 R C 1.038 177.386 176.300 0.079 0.000 1.062 317 R CA -0.061 56.130 56.100 0.153 0.000 1.158 317 R CB 0.521 30.898 30.300 0.129 0.000 1.046 317 R HN 0.655 nan 8.270 nan 0.000 0.493 318 R N 1.189 121.645 120.500 -0.074 0.000 2.127 318 R HA -0.069 4.272 4.340 0.002 0.000 0.238 318 R C 0.358 176.696 176.300 0.063 0.000 1.134 318 R CA 1.137 57.168 56.100 -0.115 0.000 0.975 318 R CB 0.183 30.381 30.300 -0.172 0.000 0.865 318 R HN 0.369 nan 8.270 nan 0.000 0.447 319 I N 2.966 123.564 120.570 0.046 0.000 2.278 319 I HA 0.010 4.181 4.170 0.002 0.000 0.296 319 I C 0.184 176.355 176.117 0.091 0.000 1.121 319 I CA 0.342 61.674 61.300 0.054 0.000 1.267 319 I CB 0.862 38.880 38.000 0.030 0.000 1.447 319 I HN 0.276 nan 8.210 nan 0.000 0.509 320 Q N 3.829 123.685 119.800 0.093 0.000 2.294 320 Q HA -0.035 4.306 4.340 0.002 0.000 0.207 320 Q C 0.894 176.970 176.000 0.126 0.000 0.887 320 Q CA 0.058 55.930 55.803 0.115 0.000 0.987 320 Q CB -0.095 28.675 28.738 0.052 0.000 1.101 320 Q HN 0.451 nan 8.270 nan 0.000 0.447 321 N N -0.406 118.370 118.700 0.127 0.000 2.392 321 N HA -0.015 4.726 4.740 0.002 0.000 0.177 321 N C -1.051 174.574 175.510 0.191 0.000 1.066 321 N CA 0.447 53.569 53.050 0.119 0.000 0.895 321 N CB 0.550 39.094 38.487 0.096 0.000 0.988 321 N HN 0.299 nan 8.380 nan 0.000 0.457 322 Y N 0.348 120.673 120.300 0.041 0.000 2.396 322 Y HA 0.418 4.969 4.550 0.002 0.000 0.332 322 Y C -0.915 175.021 175.900 0.060 0.000 1.034 322 Y CA -1.088 57.037 58.100 0.040 0.000 1.057 322 Y CB 1.199 39.674 38.460 0.026 0.000 1.220 322 Y HN -0.087 nan 8.280 nan 0.000 0.440 323 S N 4.080 119.690 115.700 -0.151 0.000 2.599 323 S HA 0.926 5.397 4.470 0.002 0.000 0.287 323 S C -1.907 172.573 174.600 -0.199 0.000 1.105 323 S CA -0.765 57.398 58.200 -0.062 0.000 0.899 323 S CB 1.973 65.165 63.200 -0.013 0.000 1.100 323 S HN 0.493 nan 8.310 nan 0.000 0.482 324 V N 2.694 122.592 119.914 -0.026 0.000 2.686 324 V HA 0.523 4.644 4.120 0.002 0.000 0.306 324 V C -0.571 175.557 176.094 0.056 0.000 1.065 324 V CA -0.627 61.662 62.300 -0.019 0.000 0.894 324 V CB 1.855 33.695 31.823 0.028 0.000 1.004 324 V HN 1.039 nan 8.190 nan 0.000 0.424 325 M N 3.680 123.285 119.600 0.009 0.000 2.238 325 M HA 0.565 5.046 4.480 0.002 0.000 0.350 325 M C -1.427 174.892 176.300 0.031 0.000 1.138 325 M CA -0.225 55.060 55.300 -0.024 0.000 1.040 325 M CB 1.323 33.848 32.600 -0.125 0.000 1.639 325 M HN 0.603 nan 8.290 nan 0.000 0.451 326 D N 4.984 125.392 120.400 0.013 0.000 2.248 326 D HA 0.537 5.178 4.640 0.002 0.000 0.246 326 D C -1.026 175.250 176.300 -0.039 0.000 1.027 326 D CA -0.091 53.919 54.000 0.016 0.000 0.853 326 D CB 2.015 42.843 40.800 0.047 0.000 1.243 326 D HN 0.606 nan 8.370 nan 0.000 0.462 327 I N 2.321 122.894 120.570 0.004 0.000 2.382 327 I HA 0.286 4.457 4.170 0.002 0.000 0.285 327 I C -0.546 175.576 176.117 0.009 0.000 1.007 327 I CA -0.599 60.697 61.300 -0.007 0.000 1.142 327 I CB 1.231 39.284 38.000 0.089 0.000 1.289 327 I HN 0.156 nan 8.210 nan 0.000 0.453 328 c N 3.874 122.470 118.600 -0.008 0.000 2.382 328 c HA 0.538 5.109 4.570 0.002 0.000 0.327 328 c C -0.209 174.034 174.090 0.255 0.000 1.250 328 c CA -0.702 55.692 56.329 0.108 0.000 1.707 328 c CB 0.995 43.568 42.510 0.103 0.000 2.272 328 c HN 0.581 nan 8.230 nan 0.000 0.506 329 D N 0.300 120.826 120.400 0.210 0.000 2.248 329 D HA 0.315 4.956 4.640 0.002 0.000 0.246 329 D C -0.629 175.577 176.300 -0.157 0.000 1.027 329 D CA -0.224 53.839 54.000 0.105 0.000 0.853 329 D CB 0.830 41.645 40.800 0.024 0.000 1.243 329 D HN 0.575 nan 8.370 nan 0.000 0.462 330 Y N 1.754 121.602 120.300 -0.755 0.000 2.465 330 Y HA 0.153 4.704 4.550 0.002 0.000 0.331 330 Y C -0.044 175.523 175.900 -0.555 0.000 1.102 330 Y CA -0.112 57.205 58.100 -1.305 0.000 1.358 330 Y CB 0.606 38.209 38.460 -1.428 0.000 1.213 330 Y HN 0.176 nan 8.280 nan 0.000 0.525 331 D N 5.626 125.367 120.400 -1.098 0.000 2.428 331 D HA 0.055 4.696 4.640 0.002 0.000 0.221 331 D C 0.906 176.620 176.300 -0.976 0.000 1.123 331 D CA -0.018 53.537 54.000 -0.742 0.000 0.869 331 D CB 0.888 41.428 40.800 -0.432 0.000 1.032 331 D HN 0.863 nan 8.370 nan 0.000 0.506 332 E N 1.781 121.578 120.200 -0.671 0.000 2.055 332 E HA -0.223 4.128 4.350 0.002 0.000 0.209 332 E C 1.267 177.734 176.600 -0.222 0.000 1.036 332 E CA 1.839 58.028 56.400 -0.352 0.000 0.849 332 E CB 0.039 29.682 29.700 -0.095 0.000 0.767 332 E HN 0.301 nan 8.360 nan 0.000 0.461 333 S N -0.977 114.620 115.700 -0.171 0.000 2.603 333 S HA 0.081 4.552 4.470 0.002 0.000 0.220 333 S C 1.519 176.058 174.600 -0.102 0.000 0.967 333 S CA 0.544 58.687 58.200 -0.096 0.000 0.920 333 S CB 0.203 63.364 63.200 -0.066 0.000 0.773 333 S HN 0.153 nan 8.310 nan 0.000 0.529 334 S N -0.243 115.352 115.700 -0.174 0.000 2.514 334 S HA 0.369 4.840 4.470 0.002 0.000 0.223 334 S C 1.738 176.275 174.600 -0.104 0.000 1.046 334 S CA 0.472 58.595 58.200 -0.128 0.000 0.914 334 S CB 0.447 63.560 63.200 -0.146 0.000 0.807 334 S HN 0.618 nan 8.310 nan 0.000 0.497 335 G N 2.110 110.788 108.800 -0.203 0.000 2.234 335 G HA2 -0.314 3.647 3.960 0.002 0.000 0.260 335 G HA3 -0.314 3.647 3.960 0.002 0.000 0.260 335 G C 0.168 175.107 174.900 0.065 0.000 0.987 335 G CA 0.533 45.636 45.100 0.006 0.000 0.625 335 G HN 0.574 nan 8.290 nan 0.000 0.532 336 R N -1.202 119.250 120.500 -0.080 0.000 2.606 336 R HA 0.745 5.086 4.340 0.002 0.000 0.249 336 R C -0.736 175.498 176.300 -0.110 0.000 1.127 336 R CA -0.875 55.256 56.100 0.052 0.000 1.133 336 R CB 0.428 30.768 30.300 0.065 0.000 1.243 336 R HN 0.184 nan 8.270 nan 0.000 0.558 337 W N -0.192 121.115 121.300 0.012 0.000 2.587 337 W HA 0.453 5.114 4.660 0.002 0.000 0.324 337 W C -0.841 175.658 176.519 -0.034 0.000 1.040 337 W CA -0.446 56.895 57.345 -0.006 0.000 1.222 337 W CB 1.414 30.874 29.460 0.001 0.000 1.381 337 W HN 0.513 nan 8.180 nan 0.000 0.483 338 N N 1.923 120.696 118.700 0.123 0.000 2.342 338 N HA 0.534 5.275 4.740 0.002 0.000 0.293 338 N C -1.517 174.035 175.510 0.071 0.000 1.026 338 N CA -0.605 52.482 53.050 0.062 0.000 0.857 338 N CB 1.205 39.690 38.487 -0.005 0.000 1.256 338 N HN 0.189 nan 8.380 nan 0.000 0.484 339 c N 2.935 121.562 118.600 0.044 0.000 2.250 339 c HA 0.366 4.937 4.570 0.002 0.000 0.319 339 c C 0.406 174.499 174.090 0.006 0.000 1.124 339 c CA -1.112 55.234 56.329 0.029 0.000 1.527 339 c CB -1.349 41.168 42.510 0.012 0.000 2.001 339 c HN 0.607 nan 8.230 nan 0.000 0.435 340 L N 2.913 124.142 121.223 0.010 0.000 2.499 340 L HA 0.151 4.492 4.340 0.002 0.000 0.273 340 L C 0.831 177.693 176.870 -0.013 0.000 1.195 340 L CA 0.349 55.188 54.840 -0.002 0.000 0.882 340 L CB 0.309 42.371 42.059 0.004 0.000 1.133 340 L HN 0.513 nan 8.230 nan 0.000 0.483 341 V N 4.989 124.887 119.914 -0.027 0.000 3.376 341 V HA 0.301 4.422 4.120 0.002 0.000 0.303 341 V C 1.220 177.287 176.094 -0.045 0.000 1.100 341 V CA 0.820 63.095 62.300 -0.040 0.000 1.126 341 V CB 1.198 32.996 31.823 -0.042 0.000 1.085 341 V HN 1.113 nan 8.190 nan 0.000 0.480 342 A N 2.715 125.492 122.820 -0.072 0.000 4.030 342 A HA -0.281 4.041 4.320 0.002 0.000 0.261 342 A C 1.725 179.248 177.584 -0.102 0.000 0.920 342 A CA 1.846 53.832 52.037 -0.084 0.000 1.304 342 A CB -1.779 17.192 19.000 -0.048 0.000 1.035 342 A HN 0.997 nan 8.150 nan 0.000 0.829 343 R N 0.283 120.745 120.500 -0.064 0.000 2.397 343 R HA 0.171 4.512 4.340 0.002 0.000 0.241 343 R C 0.628 176.931 176.300 0.004 0.000 0.914 343 R CA 0.752 56.860 56.100 0.013 0.000 1.071 343 R CB 0.108 30.449 30.300 0.068 0.000 1.116 343 R HN 0.851 nan 8.270 nan 0.000 0.524 344 Q N -0.249 119.482 119.800 -0.116 0.000 2.222 344 Q HA 0.281 4.622 4.340 0.002 0.000 0.252 344 Q C -1.326 174.515 176.000 -0.265 0.000 0.926 344 Q CA -0.709 55.060 55.803 -0.058 0.000 0.899 344 Q CB 1.539 30.258 28.738 -0.033 0.000 1.250 344 Q HN 0.132 nan 8.270 nan 0.000 0.441 345 H N 0.939 119.999 119.070 -0.017 0.000 2.538 345 H HA 0.490 5.047 4.556 0.002 0.000 0.353 345 H C -0.843 174.442 175.328 -0.071 0.000 1.109 345 H CA -0.634 55.407 56.048 -0.011 0.000 1.192 345 H CB 1.442 31.204 29.762 0.000 0.000 1.555 345 H HN 0.563 nan 8.280 nan 0.000 0.518 346 I N 1.816 122.389 120.570 0.004 0.000 2.396 346 I HA 0.229 4.400 4.170 0.002 0.000 0.292 346 I C 0.087 176.137 176.117 -0.111 0.000 0.999 346 I CA -0.168 61.039 61.300 -0.155 0.000 1.310 346 I CB 1.186 39.061 38.000 -0.208 0.000 1.404 346 I HN 0.564 nan 8.210 nan 0.000 0.496 347 E N 8.143 128.225 120.200 -0.197 0.000 2.255 347 E HA 0.531 4.882 4.350 0.002 0.000 0.256 347 E C -1.247 175.268 176.600 -0.142 0.000 0.887 347 E CA -0.654 55.688 56.400 -0.097 0.000 0.782 347 E CB 1.336 31.010 29.700 -0.044 0.000 1.214 347 E HN 0.606 nan 8.360 nan 0.000 0.417 348 M N 1.084 120.640 119.600 -0.074 0.000 2.691 348 M HA 0.663 5.144 4.480 0.002 0.000 0.293 348 M C -0.945 175.366 176.300 0.017 0.000 1.259 348 M CA -0.987 54.306 55.300 -0.012 0.000 0.827 348 M CB 2.298 34.936 32.600 0.062 0.000 1.753 348 M HN 0.216 nan 8.290 nan 0.000 0.465 349 S N -0.653 115.062 115.700 0.025 0.000 2.547 349 S HA 0.580 5.051 4.470 0.002 0.000 0.281 349 S C 0.199 174.794 174.600 -0.008 0.000 1.118 349 S CA -0.030 58.167 58.200 -0.006 0.000 0.947 349 S CB 1.810 64.975 63.200 -0.058 0.000 1.053 349 S HN 0.909 nan 8.310 nan 0.000 0.482 350 T N -0.165 114.384 114.554 -0.009 0.000 3.037 350 T HA 0.068 4.419 4.350 0.002 0.000 0.251 350 T C 1.531 176.212 174.700 -0.031 0.000 1.079 350 T CA 0.891 62.986 62.100 -0.009 0.000 1.067 350 T CB -0.373 68.497 68.868 0.004 0.000 0.948 350 T HN 0.691 nan 8.240 nan 0.000 0.496 351 T N -1.879 112.648 114.554 -0.045 0.000 3.037 351 T HA 0.601 4.952 4.350 0.002 0.000 0.251 351 T C 1.113 175.648 174.700 -0.276 0.000 1.079 351 T CA 0.397 62.468 62.100 -0.048 0.000 1.067 351 T CB 0.357 69.275 68.868 0.084 0.000 0.948 351 T HN 0.619 nan 8.240 nan 0.000 0.496 352 G N 0.382 108.869 108.800 -0.523 0.000 2.562 352 G HA2 0.459 4.420 3.960 0.002 0.000 0.190 352 G HA3 0.459 4.420 3.960 0.002 0.000 0.190 352 G C -1.631 172.996 174.900 -0.455 0.000 1.196 352 G CA -0.566 44.021 45.100 -0.855 0.000 0.986 352 G HN 0.493 nan 8.290 nan 0.000 0.512 353 W N 0.032 121.073 121.300 -0.433 0.000 2.260 353 W HA 0.739 5.400 4.660 0.002 0.000 0.366 353 W C -0.326 176.144 176.519 -0.082 0.000 1.315 353 W CA -1.250 55.970 57.345 -0.208 0.000 1.458 353 W CB 0.615 29.924 29.460 -0.251 0.000 1.255 353 W HN 0.264 nan 8.180 nan 0.000 0.671 354 V N 3.117 123.111 119.914 0.132 0.000 2.407 354 V HA 0.686 4.807 4.120 0.002 0.000 0.278 354 V C 0.790 176.963 176.094 0.132 0.000 1.037 354 V CA 0.344 62.680 62.300 0.060 0.000 0.900 354 V CB -0.031 31.827 31.823 0.058 0.000 0.983 354 V HN 1.291 nan 8.190 nan 0.000 0.459 355 G N 5.172 114.003 108.800 0.052 0.000 2.795 355 G HA2 -0.185 3.777 3.960 0.002 0.000 0.664 355 G HA3 -0.185 3.777 3.960 0.002 0.000 0.664 355 G C 0.355 175.347 174.900 0.153 0.000 1.381 355 G CA 0.151 45.308 45.100 0.094 0.000 0.853 355 G HN 0.634 nan 8.290 nan 0.000 0.545 356 R N -0.731 119.848 120.500 0.132 0.000 2.061 356 R HA 0.085 4.426 4.340 0.002 0.000 0.230 356 R C 2.042 178.334 176.300 -0.013 0.000 1.140 356 R CA 2.231 58.365 56.100 0.057 0.000 0.940 356 R CB -0.126 30.209 30.300 0.058 0.000 0.839 356 R HN 0.481 nan 8.270 nan 0.000 0.429 357 F N -0.903 119.184 119.950 0.229 0.000 2.789 357 F HA 0.253 4.781 4.527 0.002 0.000 0.320 357 F C 0.367 176.190 175.800 0.038 0.000 1.079 357 F CA -0.429 57.645 58.000 0.124 0.000 1.205 357 F CB 0.744 39.810 39.000 0.110 0.000 1.046 357 F HN -0.073 nan 8.300 nan 0.000 0.586 358 R N -1.519 119.116 120.500 0.224 0.000 2.765 358 R HA 0.385 4.726 4.340 0.002 0.000 0.277 358 R C -3.337 173.019 176.300 0.093 0.000 1.028 358 R CA -1.862 54.298 56.100 0.100 0.000 0.860 358 R CB -0.009 30.293 30.300 0.004 0.000 1.270 358 R HN -0.370 nan 8.270 nan 0.000 0.484 359 P HA -0.043 nan 4.420 nan 0.000 0.264 359 P C -0.352 176.963 177.300 0.025 0.000 1.179 359 P CA 0.238 63.351 63.100 0.023 0.000 0.763 359 P CB 0.615 32.302 31.700 -0.022 0.000 0.806 360 S N 1.603 117.327 115.700 0.040 0.000 2.600 360 S HA 0.176 4.647 4.470 0.002 0.000 0.265 360 S C 0.112 174.718 174.600 0.011 0.000 1.325 360 S CA -0.752 57.486 58.200 0.064 0.000 1.002 360 S CB 0.549 63.809 63.200 0.101 0.000 0.921 360 S HN 0.555 nan 8.310 nan 0.000 0.554 361 E N 1.456 121.677 120.200 0.034 0.000 2.301 361 E HA 0.371 4.722 4.350 0.002 0.000 0.275 361 E C -2.742 173.810 176.600 -0.080 0.000 1.030 361 E CA -2.072 54.296 56.400 -0.053 0.000 0.852 361 E CB 0.744 30.417 29.700 -0.044 0.000 1.060 361 E HN 0.448 nan 8.360 nan 0.000 0.401 362 P HA 0.228 nan 4.420 nan 0.000 0.279 362 P C -0.823 176.311 177.300 -0.277 0.000 1.252 362 P CA -0.356 62.561 63.100 -0.304 0.000 0.811 362 P CB 0.881 32.040 31.700 -0.902 0.000 1.035 363 H N 1.583 120.636 119.070 -0.028 0.000 2.762 363 H HA 0.293 4.850 4.556 0.002 0.000 0.310 363 H C -0.372 175.064 175.328 0.179 0.000 1.004 363 H CA -0.319 55.817 56.048 0.147 0.000 1.267 363 H CB 0.285 30.161 29.762 0.191 0.000 1.437 363 H HN 0.297 nan 8.280 nan 0.000 0.498 364 F N 1.898 122.026 119.950 0.297 0.000 2.399 364 F HA 0.070 4.598 4.527 0.002 0.000 0.342 364 F C 1.636 177.626 175.800 0.316 0.000 1.106 364 F CA -0.457 57.731 58.000 0.314 0.000 1.196 364 F CB 0.941 40.063 39.000 0.203 0.000 1.163 364 F HN 0.361 nan 8.300 nan 0.000 0.547 365 T N 0.506 115.364 114.554 0.506 0.000 2.813 365 T HA 0.105 4.456 4.350 0.002 0.000 0.297 365 T C 1.171 176.065 174.700 0.324 0.000 1.036 365 T CA -0.786 61.549 62.100 0.392 0.000 1.044 365 T CB 0.710 69.794 68.868 0.361 0.000 0.993 365 T HN 0.611 nan 8.240 nan 0.000 0.535 366 L N 1.271 122.639 121.223 0.242 0.000 2.021 366 L HA -0.158 4.183 4.340 0.002 0.000 0.215 366 L C 1.970 178.950 176.870 0.183 0.000 1.074 366 L CA 2.615 57.570 54.840 0.192 0.000 0.760 366 L CB -1.072 41.076 42.059 0.148 0.000 0.889 366 L HN 0.945 nan 8.230 nan 0.000 0.433 367 D N -1.481 119.029 120.400 0.184 0.000 2.349 367 D HA 0.109 4.750 4.640 0.002 0.000 0.224 367 D C 1.633 178.042 176.300 0.182 0.000 1.029 367 D CA 0.708 54.805 54.000 0.161 0.000 0.879 367 D CB -0.556 40.328 40.800 0.140 0.000 0.906 367 D HN 0.462 nan 8.370 nan 0.000 0.528 368 G N 0.448 109.397 108.800 0.249 0.000 2.166 368 G HA2 -0.413 3.548 3.960 0.002 0.000 0.260 368 G HA3 -0.413 3.548 3.960 0.002 0.000 0.260 368 G C 0.696 175.799 174.900 0.338 0.000 0.986 368 G CA 0.509 45.780 45.100 0.285 0.000 0.683 368 G HN 0.519 nan 8.290 nan 0.000 0.527 369 N N -0.194 118.675 118.700 0.282 0.000 2.336 369 N HA 0.310 5.051 4.740 0.002 0.000 0.189 369 N C 0.670 176.299 175.510 0.198 0.000 1.113 369 N CA 0.538 53.721 53.050 0.222 0.000 0.858 369 N CB 0.306 38.880 38.487 0.145 0.000 0.970 369 N HN 0.635 nan 8.380 nan 0.000 0.471 370 S N -0.091 115.759 115.700 0.249 0.000 2.596 370 S HA 0.697 5.168 4.470 0.002 0.000 0.270 370 S C -1.244 173.428 174.600 0.120 0.000 1.155 370 S CA -1.062 57.153 58.200 0.024 0.000 0.827 370 S CB 1.464 64.622 63.200 -0.070 0.000 1.130 370 S HN 0.171 nan 8.310 nan 0.000 0.467 371 F N -1.825 117.976 119.950 -0.248 0.000 2.693 371 F HA 0.823 5.351 4.527 0.002 0.000 0.309 371 F C -2.205 173.447 175.800 -0.248 0.000 1.129 371 F CA -1.499 56.299 58.000 -0.337 0.000 0.948 371 F CB 0.531 38.914 39.000 -1.027 0.000 1.315 371 F HN 0.608 nan 8.300 nan 0.000 0.447 372 Y N 1.269 121.722 120.300 0.256 0.000 2.446 372 Y HA 0.721 5.272 4.550 0.002 0.000 0.338 372 Y C -0.441 175.626 175.900 0.278 0.000 1.055 372 Y CA -0.847 57.394 58.100 0.235 0.000 1.101 372 Y CB 2.199 40.743 38.460 0.140 0.000 1.221 372 Y HN 0.750 nan 8.280 nan 0.000 0.460 373 K N 0.795 121.429 120.400 0.390 0.000 2.578 373 K HA 0.584 4.905 4.320 0.002 0.000 0.269 373 K C -2.004 174.736 176.600 0.234 0.000 0.941 373 K CA -0.681 55.781 56.287 0.291 0.000 0.847 373 K CB 1.238 33.852 32.500 0.190 0.000 1.397 373 K HN 0.580 nan 8.250 nan 0.000 0.422 374 I N 4.033 124.711 120.570 0.181 0.000 2.396 374 I HA 0.336 4.507 4.170 0.002 0.000 0.289 374 I C 0.113 176.319 176.117 0.148 0.000 1.056 374 I CA -0.526 60.862 61.300 0.147 0.000 1.365 374 I CB 0.218 38.283 38.000 0.109 0.000 1.407 374 I HN 0.627 nan 8.210 nan 0.000 0.509 375 I N 1.902 122.588 120.570 0.194 0.000 3.074 375 I HA 0.494 4.665 4.170 0.002 0.000 0.310 375 I C -0.263 175.975 176.117 0.202 0.000 1.153 375 I CA -0.822 60.588 61.300 0.184 0.000 0.993 375 I CB 2.118 40.243 38.000 0.208 0.000 1.237 375 I HN 0.345 nan 8.210 nan 0.000 0.443 376 S N 2.500 118.261 115.700 0.101 0.000 2.531 376 S HA 0.233 4.704 4.470 0.002 0.000 0.279 376 S C 0.162 174.802 174.600 0.067 0.000 1.305 376 S CA -0.255 57.950 58.200 0.008 0.000 1.058 376 S CB -0.112 63.034 63.200 -0.091 0.000 0.899 376 S HN 0.672 nan 8.310 nan 0.000 0.493 377 N N 2.090 120.727 118.700 -0.105 0.000 2.263 377 N HA 0.049 4.790 4.740 0.002 0.000 0.239 377 N C 1.012 176.444 175.510 -0.130 0.000 1.317 377 N CA -0.088 52.780 53.050 -0.304 0.000 0.909 377 N CB 0.314 38.595 38.487 -0.343 0.000 1.171 377 N HN 0.771 nan 8.380 nan 0.000 0.492 378 E N 0.283 120.397 120.200 -0.143 0.000 2.358 378 E HA -0.091 4.260 4.350 0.002 0.000 0.195 378 E C 0.954 177.511 176.600 -0.071 0.000 1.010 378 E CA 0.979 57.340 56.400 -0.064 0.000 0.856 378 E CB 0.046 29.717 29.700 -0.049 0.000 0.795 378 E HN 0.649 nan 8.360 nan 0.000 0.504 379 E N -1.356 118.796 120.200 -0.080 0.000 2.479 379 E HA 0.076 4.427 4.350 0.002 0.000 0.193 379 E C 0.732 177.311 176.600 -0.035 0.000 1.049 379 E CA 0.599 56.993 56.400 -0.010 0.000 0.870 379 E CB 0.058 29.786 29.700 0.048 0.000 0.944 379 E HN 0.285 nan 8.360 nan 0.000 0.492 380 G N 0.289 109.012 108.800 -0.128 0.000 2.157 380 G HA2 -0.273 3.688 3.960 0.002 0.000 0.239 380 G HA3 -0.273 3.688 3.960 0.002 0.000 0.239 380 G C -0.474 174.158 174.900 -0.447 0.000 0.982 380 G CA 0.257 45.181 45.100 -0.294 0.000 0.650 380 G HN 0.243 nan 8.290 nan 0.000 0.527 381 Y N 0.467 120.625 120.300 -0.238 0.000 2.342 381 Y HA 0.636 5.187 4.550 0.002 0.000 0.334 381 Y C 1.176 176.883 175.900 -0.323 0.000 1.067 381 Y CA -0.851 57.081 58.100 -0.280 0.000 1.128 381 Y CB 1.000 39.303 38.460 -0.263 0.000 1.200 381 Y HN 0.073 nan 8.280 nan 0.000 0.464 382 R N 3.827 124.168 120.500 -0.264 0.000 2.288 382 R HA 0.239 4.580 4.340 0.002 0.000 0.330 382 R C -0.722 175.286 176.300 -0.487 0.000 1.069 382 R CA -0.002 55.954 56.100 -0.240 0.000 0.941 382 R CB 0.029 30.241 30.300 -0.148 0.000 0.998 382 R HN 0.650 nan 8.270 nan 0.000 0.452 383 H N 1.703 120.728 119.070 -0.076 0.000 2.907 383 H HA 0.342 4.899 4.556 0.002 0.000 0.361 383 H C -0.060 175.332 175.328 0.107 0.000 1.194 383 H CA -0.987 54.995 56.048 -0.111 0.000 1.152 383 H CB 1.621 31.198 29.762 -0.308 0.000 1.867 383 H HN 0.314 nan 8.280 nan 0.000 0.561 384 I N 1.375 122.034 120.570 0.148 0.000 2.396 384 I HA 0.024 4.195 4.170 0.002 0.000 0.289 384 I C 0.415 176.600 176.117 0.114 0.000 1.056 384 I CA 0.169 61.529 61.300 0.101 0.000 1.365 384 I CB 0.276 38.245 38.000 -0.052 0.000 1.407 384 I HN 0.143 nan 8.210 nan 0.000 0.509 385 c N 7.264 125.870 118.600 0.010 0.000 2.391 385 c HA 0.436 5.007 4.570 0.002 0.000 0.339 385 c C -0.412 173.574 174.090 -0.174 0.000 1.205 385 c CA -0.461 55.654 56.329 -0.357 0.000 1.937 385 c CB 1.015 43.031 42.510 -0.823 0.000 2.341 385 c HN 0.636 nan 8.230 nan 0.000 0.516 386 Y N 4.563 124.546 120.300 -0.527 0.000 2.342 386 Y HA 0.671 5.222 4.550 0.002 0.000 0.338 386 Y C -1.090 174.372 175.900 -0.730 0.000 0.965 386 Y CA -1.058 56.683 58.100 -0.598 0.000 1.159 386 Y CB 0.202 38.389 38.460 -0.455 0.000 1.157 386 Y HN 0.599 nan 8.280 nan 0.000 0.486 387 F N 3.319 122.563 119.950 -1.176 0.000 2.507 387 F HA 0.502 5.030 4.527 0.002 0.000 0.327 387 F C -0.184 174.892 175.800 -1.206 0.000 1.068 387 F CA -0.960 56.286 58.000 -1.257 0.000 0.965 387 F CB 1.595 39.488 39.000 -1.845 0.000 1.192 387 F HN 0.286 nan 8.300 nan 0.000 0.476 388 Q N 1.874 121.351 119.800 -0.538 0.000 2.307 388 Q HA 0.367 4.708 4.340 0.002 0.000 0.262 388 Q C 1.027 176.996 176.000 -0.051 0.000 0.961 388 Q CA -0.252 55.361 55.803 -0.317 0.000 0.882 388 Q CB 1.357 29.960 28.738 -0.226 0.000 1.264 388 Q HN 0.682 nan 8.270 nan 0.000 0.446 389 I N -0.384 120.240 120.570 0.090 0.000 2.399 389 I HA -0.208 3.963 4.170 0.002 0.000 0.254 389 I C 0.438 176.760 176.117 0.341 0.000 1.146 389 I CA 1.641 63.152 61.300 0.352 0.000 1.412 389 I CB -0.035 38.190 38.000 0.376 0.000 1.076 389 I HN 0.453 nan 8.210 nan 0.000 0.432 390 D N 0.179 120.678 120.400 0.164 0.000 2.501 390 D HA 0.243 4.884 4.640 0.002 0.000 0.226 390 D C -0.065 176.253 176.300 0.029 0.000 1.198 390 D CA -0.315 53.734 54.000 0.081 0.000 0.830 390 D CB 0.117 40.946 40.800 0.049 0.000 1.014 390 D HN 0.291 nan 8.370 nan 0.000 0.496 391 K N 0.265 120.702 120.400 0.063 0.000 2.397 391 K HA 0.289 4.611 4.320 0.002 0.000 0.253 391 K C 0.799 177.427 176.600 0.048 0.000 0.932 391 K CA -0.711 55.579 56.287 0.004 0.000 0.795 391 K CB 2.038 34.506 32.500 -0.053 0.000 1.159 391 K HN -0.172 nan 8.250 nan 0.000 0.424 392 K N 0.223 120.613 120.400 -0.017 0.000 2.057 392 K HA 0.015 4.336 4.320 0.002 0.000 0.206 392 K C -0.085 176.527 176.600 0.020 0.000 1.050 392 K CA 1.193 57.485 56.287 0.008 0.000 0.935 392 K CB 0.059 32.537 32.500 -0.038 0.000 0.715 392 K HN 0.321 nan 8.250 nan 0.000 0.439 393 D N 1.051 121.403 120.400 -0.081 0.000 2.264 393 D HA 0.128 4.769 4.640 0.002 0.000 0.250 393 D C -0.048 176.028 176.300 -0.374 0.000 1.113 393 D CA -0.451 53.440 54.000 -0.183 0.000 0.871 393 D CB 1.206 41.919 40.800 -0.145 0.000 1.167 393 D HN 0.452 nan 8.370 nan 0.000 0.447 394 c N 0.549 118.758 118.600 -0.651 0.000 2.407 394 c HA 0.815 5.386 4.570 0.002 0.000 0.366 394 c C 0.234 173.908 174.090 -0.693 0.000 1.213 394 c CA -0.589 55.120 56.329 -1.033 0.000 2.011 394 c CB 1.123 42.300 42.510 -2.222 0.000 2.306 394 c HN 0.466 nan 8.230 nan 0.000 0.527 395 T N 1.856 116.062 114.554 -0.579 0.000 2.786 395 T HA 0.473 4.824 4.350 0.002 0.000 0.283 395 T C -0.707 173.810 174.700 -0.305 0.000 0.992 395 T CA 0.141 62.063 62.100 -0.297 0.000 0.954 395 T CB 0.334 69.177 68.868 -0.041 0.000 0.934 395 T HN 0.481 nan 8.240 nan 0.000 0.440 396 F N 3.380 123.227 119.950 -0.172 0.000 2.495 396 F HA 0.235 4.763 4.527 0.002 0.000 0.365 396 F C 1.665 177.313 175.800 -0.254 0.000 1.090 396 F CA -0.807 57.078 58.000 -0.192 0.000 1.235 396 F CB 0.399 39.289 39.000 -0.184 0.000 1.119 396 F HN 0.579 nan 8.300 nan 0.000 0.562 397 I N -0.702 119.755 120.570 -0.188 0.000 3.941 397 I HA 0.211 4.382 4.170 0.002 0.000 0.321 397 I C 0.285 176.219 176.117 -0.305 0.000 1.284 397 I CA 0.146 61.095 61.300 -0.585 0.000 1.226 397 I CB 0.056 37.425 38.000 -1.050 0.000 1.045 397 I HN 0.490 nan 8.210 nan 0.000 0.420 398 T N 0.318 114.758 114.554 -0.190 0.000 2.906 398 T HA 0.712 5.063 4.350 0.002 0.000 0.295 398 T C -0.674 173.642 174.700 -0.640 0.000 1.075 398 T CA -0.688 61.278 62.100 -0.222 0.000 1.005 398 T CB 2.679 71.492 68.868 -0.092 0.000 1.136 398 T HN 0.498 nan 8.240 nan 0.000 0.498 399 K N -0.179 119.673 120.400 -0.913 0.000 2.607 399 K HA 0.796 5.117 4.320 0.002 0.000 0.287 399 K C -0.455 175.481 176.600 -1.106 0.000 0.996 399 K CA -0.917 54.537 56.287 -1.388 0.000 0.876 399 K CB 1.365 33.461 32.500 -0.673 0.000 1.496 399 K HN 1.580 nan 8.250 nan 0.000 0.415 400 G N -0.085 108.121 108.800 -0.991 0.000 2.347 400 G HA2 0.079 4.040 3.960 0.002 0.000 0.477 400 G HA3 0.079 4.040 3.960 0.002 0.000 0.477 400 G C -0.744 173.616 174.900 -0.899 0.000 1.349 400 G CA -0.391 44.307 45.100 -0.670 0.000 1.000 400 G HN 0.994 nan 8.290 nan 0.000 0.605 401 T N -0.405 113.760 114.554 -0.649 0.000 4.058 401 T HA 0.560 4.911 4.350 0.002 0.000 0.252 401 T C 0.211 174.722 174.700 -0.316 0.000 1.264 401 T CA 0.511 62.022 62.100 -0.981 0.000 1.094 401 T CB -0.927 67.638 68.868 -0.504 0.000 1.316 401 T HN 1.495 nan 8.240 nan 0.000 0.872 402 W N -0.357 120.793 121.300 -0.249 0.000 2.937 402 W HA 0.636 5.297 4.660 0.002 0.000 0.360 402 W C -1.487 175.028 176.519 -0.007 0.000 1.215 402 W CA -0.972 56.365 57.345 -0.013 0.000 1.183 402 W CB 0.639 30.075 29.460 -0.040 0.000 1.458 402 W HN 0.175 nan 8.180 nan 0.000 0.574 403 E N 0.684 121.041 120.200 0.263 0.000 2.343 403 E HA 0.464 4.815 4.350 0.002 0.000 0.270 403 E C -1.236 175.458 176.600 0.157 0.000 0.895 403 E CA -1.194 55.164 56.400 -0.070 0.000 0.767 403 E CB 3.367 33.069 29.700 0.004 0.000 1.248 403 E HN 0.155 nan 8.360 nan 0.000 0.440 404 V N 3.619 123.500 119.914 -0.056 0.000 2.432 404 V HA 0.015 4.136 4.120 0.002 0.000 0.271 404 V C 1.201 177.373 176.094 0.130 0.000 1.046 404 V CA -0.071 62.292 62.300 0.106 0.000 0.945 404 V CB 0.599 32.385 31.823 -0.063 0.000 0.992 404 V HN 0.682 nan 8.190 nan 0.000 0.471 405 I N 3.378 124.057 120.570 0.181 0.000 2.277 405 I HA 0.205 4.376 4.170 0.002 0.000 0.243 405 I C 1.144 177.374 176.117 0.187 0.000 1.094 405 I CA 1.260 62.667 61.300 0.178 0.000 1.393 405 I CB -0.859 37.187 38.000 0.076 0.000 1.078 405 I HN 0.746 nan 8.210 nan 0.000 0.417 406 G N 0.446 109.356 108.800 0.184 0.000 2.632 406 G HA2 0.531 4.492 3.960 0.002 0.000 0.292 406 G HA3 0.531 4.492 3.960 0.002 0.000 0.292 406 G C -1.249 173.747 174.900 0.160 0.000 1.465 406 G CA -0.587 44.619 45.100 0.177 0.000 0.824 406 G HN -0.031 nan 8.290 nan 0.000 0.509 407 I N 1.669 122.279 120.570 0.068 0.000 2.325 407 I HA 0.232 4.403 4.170 0.002 0.000 0.291 407 I C 0.723 176.788 176.117 -0.086 0.000 1.019 407 I CA -0.542 60.695 61.300 -0.106 0.000 1.302 407 I CB 1.679 39.369 38.000 -0.517 0.000 1.401 407 I HN 0.505 nan 8.210 nan 0.000 0.485 408 E N 4.991 125.198 120.200 0.010 0.000 2.251 408 E HA 0.303 4.654 4.350 0.002 0.000 0.194 408 E C 0.232 176.776 176.600 -0.094 0.000 0.964 408 E CA 0.243 56.688 56.400 0.073 0.000 0.868 408 E CB 0.746 30.584 29.700 0.230 0.000 0.828 408 E HN 0.690 nan 8.360 nan 0.000 0.481 409 A N 0.553 123.220 122.820 -0.254 0.000 2.605 409 A HA 0.595 4.917 4.320 0.002 0.000 0.294 409 A C -1.999 175.490 177.584 -0.159 0.000 1.062 409 A CA -0.658 51.151 52.037 -0.379 0.000 0.682 409 A CB 1.261 19.527 19.000 -1.224 0.000 1.278 409 A HN 0.042 nan 8.150 nan 0.000 0.410 410 L N 1.366 122.545 121.223 -0.074 0.000 2.438 410 L HA 0.804 5.145 4.340 0.002 0.000 0.270 410 L C 0.107 177.001 176.870 0.040 0.000 0.972 410 L CA 0.431 55.267 54.840 -0.006 0.000 0.831 410 L CB 2.092 44.175 42.059 0.040 0.000 1.273 410 L HN 1.175 nan 8.230 nan 0.000 0.405 411 T N -0.254 114.344 114.554 0.072 0.000 2.927 411 T HA 0.434 4.785 4.350 0.002 0.000 0.286 411 T C 0.992 175.736 174.700 0.073 0.000 1.040 411 T CA 0.017 62.172 62.100 0.090 0.000 1.010 411 T CB 1.296 70.257 68.868 0.154 0.000 1.177 411 T HN 0.636 nan 8.240 nan 0.000 0.546 412 S N -0.757 114.987 115.700 0.073 0.000 2.481 412 S HA -0.055 4.416 4.470 0.002 0.000 0.231 412 S C 1.038 175.639 174.600 0.000 0.000 0.996 412 S CA 0.716 58.951 58.200 0.057 0.000 0.942 412 S CB -0.460 62.777 63.200 0.062 0.000 0.768 412 S HN 0.690 nan 8.310 nan 0.000 0.520 413 D N 0.112 120.514 120.400 0.003 0.000 2.320 413 D HA 0.260 4.901 4.640 0.002 0.000 0.228 413 D C -0.215 175.884 176.300 -0.334 0.000 0.978 413 D CA 0.881 54.812 54.000 -0.115 0.000 0.905 413 D CB 0.194 41.047 40.800 0.088 0.000 1.051 413 D HN 0.414 nan 8.370 nan 0.000 0.471 414 Y N -0.685 119.559 120.300 -0.093 0.000 2.634 414 Y HA 0.466 5.017 4.550 0.002 0.000 0.340 414 Y C -0.324 175.400 175.900 -0.294 0.000 1.058 414 Y CA -1.115 56.837 58.100 -0.247 0.000 1.081 414 Y CB 1.813 39.989 38.460 -0.473 0.000 1.295 414 Y HN -0.225 nan 8.280 nan 0.000 0.487 415 L N 2.351 123.450 121.223 -0.207 0.000 2.349 415 L HA 0.498 4.839 4.340 0.002 0.000 0.278 415 L C -2.015 174.720 176.870 -0.224 0.000 0.996 415 L CA -0.728 53.975 54.840 -0.229 0.000 0.825 415 L CB 0.657 42.500 42.059 -0.361 0.000 1.243 415 L HN 0.660 nan 8.230 nan 0.000 0.412 416 Y N 5.821 126.036 120.300 -0.141 0.000 2.330 416 Y HA 0.547 5.098 4.550 0.002 0.000 0.336 416 Y C -0.133 175.758 175.900 -0.015 0.000 1.036 416 Y CA -0.337 57.677 58.100 -0.143 0.000 1.125 416 Y CB 1.323 39.600 38.460 -0.305 0.000 1.194 416 Y HN 0.550 nan 8.280 nan 0.000 0.469 417 Y N 0.258 120.608 120.300 0.083 0.000 2.597 417 Y HA 0.790 5.341 4.550 0.002 0.000 0.340 417 Y C -1.739 174.235 175.900 0.124 0.000 1.097 417 Y CA -1.998 56.144 58.100 0.069 0.000 1.037 417 Y CB 1.084 39.559 38.460 0.025 0.000 1.305 417 Y HN 0.422 nan 8.280 nan 0.000 0.463 418 I N 3.184 123.915 120.570 0.269 0.000 2.412 418 I HA 0.657 4.828 4.170 0.002 0.000 0.296 418 I C -0.323 175.960 176.117 0.276 0.000 0.987 418 I CA -0.529 60.878 61.300 0.179 0.000 1.180 418 I CB 2.014 40.073 38.000 0.098 0.000 1.340 418 I HN 0.890 nan 8.210 nan 0.000 0.455 419 S N 3.121 118.943 115.700 0.203 0.000 2.638 419 S HA 0.407 4.878 4.470 0.002 0.000 0.274 419 S C -0.655 173.981 174.600 0.059 0.000 1.157 419 S CA -0.901 57.404 58.200 0.175 0.000 0.826 419 S CB 1.750 65.065 63.200 0.192 0.000 1.139 419 S HN 0.649 nan 8.310 nan 0.000 0.474 420 N N -0.352 118.389 118.700 0.068 0.000 2.453 420 N HA 0.161 4.902 4.740 0.002 0.000 0.270 420 N C 0.468 175.959 175.510 -0.032 0.000 1.195 420 N CA -0.333 52.720 53.050 0.005 0.000 0.902 420 N CB 0.372 38.850 38.487 -0.015 0.000 1.186 420 N HN 0.828 nan 8.380 nan 0.000 0.510 421 E N -0.113 119.927 120.200 -0.266 0.000 2.072 421 E HA -0.184 4.167 4.350 0.002 0.000 0.191 421 E C -0.328 176.127 176.600 -0.242 0.000 0.985 421 E CA 0.214 56.228 56.400 -0.643 0.000 0.801 421 E CB -0.071 28.628 29.700 -1.668 0.000 0.750 421 E HN 0.395 nan 8.360 nan 0.000 0.452 422 Y N 1.775 121.982 120.300 -0.154 0.000 2.805 422 Y HA -0.123 4.428 4.550 0.002 0.000 0.331 422 Y C 0.464 176.329 175.900 -0.058 0.000 1.241 422 Y CA 0.866 58.930 58.100 -0.061 0.000 1.546 422 Y CB 0.205 38.661 38.460 -0.007 0.000 1.248 422 Y HN 0.087 nan 8.280 nan 0.000 0.559 423 K N 3.231 123.322 120.400 -0.515 0.000 3.274 423 K HA -0.227 4.094 4.320 0.002 0.000 0.305 423 K C 0.739 177.264 176.600 -0.126 0.000 1.225 423 K CA 1.254 57.323 56.287 -0.363 0.000 0.904 423 K CB -1.631 30.650 32.500 -0.364 0.000 1.227 423 K HN 1.314 nan 8.250 nan 0.000 0.453 424 G N -0.072 108.668 108.800 -0.100 0.000 2.283 424 G HA2 -0.344 3.617 3.960 0.002 0.000 0.280 424 G HA3 -0.344 3.617 3.960 0.002 0.000 0.280 424 G C -0.031 174.844 174.900 -0.041 0.000 1.029 424 G CA 0.775 45.860 45.100 -0.025 0.000 0.840 424 G HN 0.305 nan 8.290 nan 0.000 0.505 425 M N -0.177 119.335 119.600 -0.147 0.000 2.055 425 M HA 0.260 4.741 4.480 0.002 0.000 0.347 425 M C -1.298 174.749 176.300 -0.422 0.000 1.123 425 M CA -2.070 52.976 55.300 -0.423 0.000 1.035 425 M CB 1.808 34.234 32.600 -0.289 0.000 1.484 425 M HN -0.152 nan 8.290 nan 0.000 0.428 426 P HA -0.102 nan 4.420 nan 0.000 0.219 426 P C 1.177 178.321 177.300 -0.259 0.000 1.146 426 P CA 1.041 63.944 63.100 -0.329 0.000 0.808 426 P CB 0.210 31.696 31.700 -0.357 0.000 0.779 427 G N -1.243 107.345 108.800 -0.354 0.000 3.141 427 G HA2 0.256 4.217 3.960 0.002 0.000 0.218 427 G HA3 0.256 4.217 3.960 0.002 0.000 0.218 427 G C 0.627 175.537 174.900 0.016 0.000 1.170 427 G CA 0.069 45.102 45.100 -0.112 0.000 0.769 427 G HN 0.368 nan 8.290 nan 0.000 0.546 428 G N -0.122 108.626 108.800 -0.087 0.000 2.410 428 G HA2 0.629 4.590 3.960 0.002 0.000 0.330 428 G HA3 0.629 4.590 3.960 0.002 0.000 0.330 428 G C -0.770 174.013 174.900 -0.196 0.000 1.142 428 G CA -0.744 44.335 45.100 -0.035 0.000 0.902 428 G HN 0.074 nan 8.290 nan 0.000 0.491 429 R N 1.302 121.633 120.500 -0.282 0.000 2.538 429 R HA 0.433 4.774 4.340 0.002 0.000 0.292 429 R C -1.198 175.067 176.300 -0.058 0.000 1.008 429 R CA -0.793 55.115 56.100 -0.320 0.000 0.896 429 R CB 2.096 31.936 30.300 -0.766 0.000 1.187 429 R HN 0.590 nan 8.270 nan 0.000 0.440 430 N N 1.692 120.391 118.700 -0.001 0.000 2.329 430 N HA 0.325 5.066 4.740 0.002 0.000 0.282 430 N C -1.293 174.152 175.510 -0.109 0.000 1.198 430 N CA -0.808 52.184 53.050 -0.097 0.000 0.790 430 N CB 2.758 41.103 38.487 -0.237 0.000 1.579 430 N HN 0.254 nan 8.380 nan 0.000 0.475 431 L N 2.074 123.079 121.223 -0.363 0.000 2.292 431 L HA 0.496 4.837 4.340 0.002 0.000 0.284 431 L C -1.410 175.144 176.870 -0.526 0.000 1.065 431 L CA 0.061 54.713 54.840 -0.314 0.000 0.806 431 L CB 0.016 41.867 42.059 -0.348 0.000 1.175 431 L HN 0.410 nan 8.230 nan 0.000 0.431 432 Y N 3.149 123.091 120.300 -0.597 0.000 2.605 432 Y HA 0.631 5.182 4.550 0.002 0.000 0.343 432 Y C -0.564 174.938 175.900 -0.662 0.000 1.036 432 Y CA -0.981 56.706 58.100 -0.688 0.000 1.065 432 Y CB 1.684 39.563 38.460 -0.969 0.000 1.288 432 Y HN 0.564 nan 8.280 nan 0.000 0.481 433 K N 1.910 122.112 120.400 -0.329 0.000 2.443 433 K HA 0.741 5.062 4.320 0.002 0.000 0.252 433 K C -1.947 174.600 176.600 -0.089 0.000 0.933 433 K CA -0.672 55.359 56.287 -0.426 0.000 0.792 433 K CB 2.602 34.625 32.500 -0.796 0.000 1.185 433 K HN 0.763 nan 8.250 nan 0.000 0.425 434 I N 2.305 122.909 120.570 0.057 0.000 2.433 434 I HA 0.174 4.345 4.170 0.002 0.000 0.292 434 I C -0.664 175.543 176.117 0.150 0.000 1.001 434 I CA -0.793 60.612 61.300 0.176 0.000 1.119 434 I CB 1.977 40.102 38.000 0.209 0.000 1.289 434 I HN 0.859 nan 8.210 nan 0.000 0.438 435 Q N 5.493 125.358 119.800 0.108 0.000 2.262 435 Q HA 0.068 4.409 4.340 0.002 0.000 0.272 435 Q C 0.269 176.189 176.000 -0.133 0.000 1.076 435 Q CA -0.464 55.191 55.803 -0.247 0.000 0.905 435 Q CB 1.023 29.663 28.738 -0.163 0.000 1.182 435 Q HN 0.728 nan 8.270 nan 0.000 0.390 436 L N 3.057 124.140 121.223 -0.233 0.000 2.265 436 L HA -0.133 4.208 4.340 0.002 0.000 0.215 436 L C 1.900 178.675 176.870 -0.159 0.000 1.117 436 L CA 1.408 56.204 54.840 -0.073 0.000 0.782 436 L CB -0.728 41.261 42.059 -0.118 0.000 0.914 436 L HN 0.578 nan 8.230 nan 0.000 0.441 437 S N -1.607 113.957 115.700 -0.228 0.000 2.470 437 S HA -0.011 4.460 4.470 0.002 0.000 0.225 437 S C 0.570 175.002 174.600 -0.279 0.000 1.006 437 S CA 0.392 58.453 58.200 -0.233 0.000 0.934 437 S CB 0.123 63.213 63.200 -0.184 0.000 0.778 437 S HN 0.381 nan 8.310 nan 0.000 0.517 438 D N -0.398 119.852 120.400 -0.251 0.000 2.319 438 D HA 0.186 4.827 4.640 0.002 0.000 0.237 438 D C -0.410 175.854 176.300 -0.060 0.000 1.353 438 D CA -0.487 53.388 54.000 -0.209 0.000 0.992 438 D CB 0.130 40.864 40.800 -0.109 0.000 1.368 438 D HN -0.081 nan 8.370 nan 0.000 0.564 439 Y N 1.333 121.611 120.300 -0.037 0.000 2.556 439 Y HA -0.081 4.470 4.550 0.002 0.000 0.290 439 Y C 2.398 178.305 175.900 0.011 0.000 1.149 439 Y CA 0.749 58.842 58.100 -0.013 0.000 1.329 439 Y CB -0.763 37.691 38.460 -0.011 0.000 0.975 439 Y HN 0.325 nan 8.280 nan 0.000 0.561 440 T N -0.305 114.323 114.554 0.124 0.000 2.951 440 T HA -0.077 4.274 4.350 0.002 0.000 0.268 440 T C 0.809 175.558 174.700 0.083 0.000 1.073 440 T CA 0.766 62.916 62.100 0.084 0.000 1.134 440 T CB -0.163 68.727 68.868 0.036 0.000 0.884 440 T HN 0.185 nan 8.240 nan 0.000 0.479 441 K N 2.092 122.542 120.400 0.084 0.000 2.206 441 K HA 0.402 4.723 4.320 0.002 0.000 0.268 441 K C -1.034 175.641 176.600 0.124 0.000 1.111 441 K CA -0.200 56.140 56.287 0.088 0.000 0.955 441 K CB 1.232 33.776 32.500 0.074 0.000 1.406 441 K HN 0.017 nan 8.250 nan 0.000 0.427 442 V N 2.723 122.710 119.914 0.120 0.000 2.409 442 V HA 0.380 4.501 4.120 0.002 0.000 0.291 442 V C -0.902 175.252 176.094 0.100 0.000 1.020 442 V CA -0.138 62.247 62.300 0.143 0.000 0.848 442 V CB 1.824 33.761 31.823 0.190 0.000 0.990 442 V HN 0.584 nan 8.190 nan 0.000 0.430 443 T N 6.290 120.867 114.554 0.038 0.000 2.779 443 T HA 0.319 4.670 4.350 0.002 0.000 0.280 443 T C -0.431 174.156 174.700 -0.188 0.000 0.987 443 T CA -0.245 61.819 62.100 -0.059 0.000 0.966 443 T CB 1.066 69.870 68.868 -0.107 0.000 0.933 443 T HN 0.909 nan 8.240 nan 0.000 0.442 444 C N 4.917 124.023 119.300 -0.324 0.000 2.514 444 C HA 0.440 4.901 4.460 0.002 0.000 0.392 444 C C 1.572 176.213 174.990 -0.582 0.000 1.294 444 C CA -0.543 57.990 59.018 -0.807 0.000 1.957 444 C CB -1.597 25.556 27.740 -0.980 0.000 2.541 444 C HN 0.989 nan 8.230 nan 0.000 0.569 445 L N 4.622 125.476 121.223 -0.616 0.000 2.554 445 L HA 0.121 4.462 4.340 0.002 0.000 0.225 445 L C 2.007 178.565 176.870 -0.520 0.000 1.104 445 L CA 0.707 55.279 54.840 -0.447 0.000 0.866 445 L CB -0.189 41.651 42.059 -0.364 0.000 1.047 445 L HN 0.890 nan 8.230 nan 0.000 0.468 446 S N -3.301 111.974 115.700 -0.709 0.000 2.628 446 S HA -0.006 4.465 4.470 0.002 0.000 0.246 446 S C 1.777 175.966 174.600 -0.685 0.000 1.062 446 S CA -0.098 57.587 58.200 -0.860 0.000 1.028 446 S CB -0.294 61.974 63.200 -1.553 0.000 0.985 446 S HN 0.280 nan 8.310 nan 0.000 0.551 447 C N 2.195 121.056 119.300 -0.731 0.000 2.385 447 C HA -0.029 4.432 4.460 0.002 0.000 0.275 447 C C 2.490 177.163 174.990 -0.529 0.000 1.207 447 C CA 1.526 60.023 59.018 -0.867 0.000 1.760 447 C CB -1.088 25.863 27.740 -1.316 0.000 2.051 447 C HN 0.594 nan 8.230 nan 0.000 0.467 448 E N 0.002 119.989 120.200 -0.356 0.000 2.474 448 E HA 0.179 4.530 4.350 0.002 0.000 0.195 448 E C 1.896 178.438 176.600 -0.097 0.000 1.039 448 E CA -0.025 56.276 56.400 -0.165 0.000 0.881 448 E CB -0.297 29.329 29.700 -0.123 0.000 0.970 448 E HN 0.567 nan 8.360 nan 0.000 0.486 449 L N 0.205 121.364 121.223 -0.108 0.000 2.042 449 L HA -0.096 4.245 4.340 0.002 0.000 0.210 449 L C 0.881 177.758 176.870 0.011 0.000 1.076 449 L CA 0.990 55.810 54.840 -0.032 0.000 0.749 449 L CB -0.029 42.027 42.059 -0.004 0.000 0.893 449 L HN 0.125 nan 8.230 nan 0.000 0.432 450 N N -1.613 117.106 118.700 0.031 0.000 3.211 450 N HA 0.044 4.785 4.740 0.002 0.000 0.183 450 N C -2.113 173.421 175.510 0.040 0.000 1.447 450 N CA -0.697 52.370 53.050 0.028 0.000 0.840 450 N CB 0.609 39.108 38.487 0.020 0.000 1.611 450 N HN -0.198 nan 8.380 nan 0.000 0.610 451 P HA -0.163 nan 4.420 nan 0.000 0.218 451 P C 0.830 178.175 177.300 0.074 0.000 1.146 451 P CA 1.194 64.346 63.100 0.087 0.000 0.813 451 P CB 0.686 32.457 31.700 0.118 0.000 0.778 452 E N -0.214 120.011 120.200 0.042 0.000 2.046 452 E HA -0.120 4.231 4.350 0.002 0.000 0.190 452 E C 2.291 178.894 176.600 0.005 0.000 0.982 452 E CA 0.879 57.294 56.400 0.026 0.000 0.800 452 E CB -0.370 29.337 29.700 0.012 0.000 0.756 452 E HN 0.298 nan 8.360 nan 0.000 0.449 453 R N -0.372 120.119 120.500 -0.015 0.000 2.173 453 R HA 0.062 4.403 4.340 0.002 0.000 0.208 453 R C -0.013 176.237 176.300 -0.082 0.000 1.035 453 R CA 0.463 56.531 56.100 -0.054 0.000 1.004 453 R CB 0.393 30.650 30.300 -0.072 0.000 0.917 453 R HN 0.031 nan 8.270 nan 0.000 0.462 454 c N 1.053 119.615 118.600 -0.064 0.000 2.344 454 c HA 0.412 4.983 4.570 0.002 0.000 0.326 454 c C 0.022 174.092 174.090 -0.035 0.000 1.201 454 c CA -0.717 55.519 56.329 -0.155 0.000 1.410 454 c CB 1.399 43.757 42.510 -0.254 0.000 2.070 454 c HN 0.509 nan 8.230 nan 0.000 0.445 455 Q N 0.453 120.230 119.800 -0.039 0.000 2.113 455 Q HA 0.186 4.527 4.340 0.002 0.000 0.225 455 Q C -0.958 175.113 176.000 0.117 0.000 0.786 455 Q CA 0.053 55.912 55.803 0.094 0.000 0.989 455 Q CB 1.390 30.200 28.738 0.119 0.000 1.174 455 Q HN 0.794 nan 8.270 nan 0.000 0.470 456 Y N 0.459 120.662 120.300 -0.161 0.000 2.333 456 Y HA 0.389 4.940 4.550 0.002 0.000 0.324 456 Y C -1.633 174.133 175.900 -0.224 0.000 1.033 456 Y CA -1.066 56.967 58.100 -0.111 0.000 1.224 456 Y CB 0.867 39.265 38.460 -0.102 0.000 1.120 456 Y HN -0.081 nan 8.280 nan 0.000 0.457 457 Y N 2.244 122.492 120.300 -0.087 0.000 2.509 457 Y HA 0.681 5.232 4.550 0.002 0.000 0.341 457 Y C 0.078 175.943 175.900 -0.058 0.000 1.038 457 Y CA -0.712 57.353 58.100 -0.059 0.000 1.089 457 Y CB 2.348 40.738 38.460 -0.117 0.000 1.241 457 Y HN 0.510 nan 8.280 nan 0.000 0.468 458 S N 0.741 116.549 115.700 0.180 0.000 2.599 458 S HA 0.874 5.345 4.470 0.002 0.000 0.287 458 S C -1.603 173.077 174.600 0.134 0.000 1.105 458 S CA -0.737 57.547 58.200 0.140 0.000 0.899 458 S CB 1.853 65.147 63.200 0.156 0.000 1.100 458 S HN 0.633 nan 8.310 nan 0.000 0.482 459 V N 0.373 120.361 119.914 0.122 0.000 3.130 459 V HA 0.898 5.019 4.120 0.002 0.000 0.310 459 V C -1.174 174.999 176.094 0.132 0.000 1.158 459 V CA -0.343 61.998 62.300 0.069 0.000 1.029 459 V CB 2.364 34.148 31.823 -0.066 0.000 1.057 459 V HN 1.190 nan 8.190 nan 0.000 0.436 460 S N 3.712 119.470 115.700 0.096 0.000 2.721 460 S HA 0.622 5.093 4.470 0.002 0.000 0.264 460 S C -1.230 173.506 174.600 0.227 0.000 1.161 460 S CA -0.408 57.951 58.200 0.264 0.000 1.113 460 S CB 0.263 63.671 63.200 0.347 0.000 1.079 460 S HN 0.488 nan 8.310 nan 0.000 0.479 461 F N 3.004 123.010 119.950 0.094 0.000 2.371 461 F HA 0.456 4.984 4.527 0.002 0.000 0.329 461 F C 1.498 176.910 175.800 -0.647 0.000 1.107 461 F CA -0.233 57.656 58.000 -0.185 0.000 1.137 461 F CB 1.217 40.084 39.000 -0.223 0.000 1.214 461 F HN 0.609 nan 8.300 nan 0.000 0.536 462 S N 1.718 116.849 115.700 -0.948 0.000 2.626 462 S HA 0.172 4.643 4.470 0.002 0.000 0.257 462 S C 1.214 175.578 174.600 -0.393 0.000 1.288 462 S CA -0.820 56.590 58.200 -1.317 0.000 0.980 462 S CB 0.680 63.151 63.200 -1.216 0.000 0.975 462 S HN 0.509 nan 8.310 nan 0.000 0.577 463 K N 0.949 121.245 120.400 -0.173 0.000 2.059 463 K HA -0.099 4.222 4.320 0.002 0.000 0.212 463 K C 1.087 177.661 176.600 -0.044 0.000 1.050 463 K CA 1.583 57.856 56.287 -0.024 0.000 0.927 463 K CB -0.518 32.013 32.500 0.051 0.000 0.714 463 K HN 0.669 nan 8.250 nan 0.000 0.447 464 E N -0.775 119.368 120.200 -0.095 0.000 2.496 464 E HA 0.252 4.603 4.350 0.002 0.000 0.200 464 E C 0.079 176.610 176.600 -0.114 0.000 1.016 464 E CA 0.127 56.481 56.400 -0.077 0.000 0.962 464 E CB 0.471 30.134 29.700 -0.063 0.000 1.071 464 E HN 0.241 nan 8.360 nan 0.000 0.457 465 A N 1.233 123.970 122.820 -0.139 0.000 2.860 465 A HA -0.319 4.002 4.320 0.002 0.000 0.267 465 A C 1.506 179.021 177.584 -0.116 0.000 1.421 465 A CA 1.617 53.596 52.037 -0.097 0.000 0.831 465 A CB -2.120 16.725 19.000 -0.260 0.000 1.041 465 A HN 0.273 nan 8.150 nan 0.000 0.623 466 K N -1.898 118.352 120.400 -0.249 0.000 2.155 466 K HA 0.099 4.420 4.320 0.002 0.000 0.203 466 K C 0.127 176.340 176.600 -0.644 0.000 1.052 466 K CA 1.443 57.460 56.287 -0.451 0.000 0.948 466 K CB -0.007 32.132 32.500 -0.601 0.000 0.728 466 K HN 0.682 nan 8.250 nan 0.000 0.448 467 Y N -1.248 118.933 120.300 -0.198 0.000 2.638 467 Y HA 0.336 4.887 4.550 0.002 0.000 0.339 467 Y C -1.035 174.746 175.900 -0.198 0.000 1.084 467 Y CA -1.332 56.654 58.100 -0.191 0.000 1.068 467 Y CB 1.699 40.050 38.460 -0.180 0.000 1.294 467 Y HN -0.024 nan 8.280 nan 0.000 0.480 468 Y N -1.123 119.141 120.300 -0.059 0.000 2.521 468 Y HA 0.467 5.018 4.550 0.002 0.000 0.332 468 Y C -1.400 174.502 175.900 0.003 0.000 1.121 468 Y CA -1.395 56.526 58.100 -0.298 0.000 1.037 468 Y CB 1.365 39.149 38.460 -1.127 0.000 1.330 468 Y HN 0.606 nan 8.280 nan 0.000 0.452 469 Q N 4.093 124.011 119.800 0.197 0.000 2.271 469 Q HA 0.583 4.924 4.340 0.002 0.000 0.258 469 Q C -1.768 174.313 176.000 0.135 0.000 0.936 469 Q CA -0.728 55.157 55.803 0.137 0.000 0.909 469 Q CB 1.393 30.182 28.738 0.085 0.000 1.253 469 Q HN 0.968 nan 8.270 nan 0.000 0.440 470 L N 4.247 125.562 121.223 0.153 0.000 2.309 470 L HA 0.524 4.865 4.340 0.002 0.000 0.282 470 L C -0.195 176.757 176.870 0.136 0.000 1.036 470 L CA -0.573 54.354 54.840 0.146 0.000 0.806 470 L CB 1.375 43.494 42.059 0.100 0.000 1.220 470 L HN 0.614 nan 8.230 nan 0.000 0.429 471 R N 2.438 123.009 120.500 0.118 0.000 2.310 471 R HA 0.276 4.617 4.340 0.002 0.000 0.316 471 R C -0.946 175.225 176.300 -0.216 0.000 1.004 471 R CA -0.498 55.528 56.100 -0.124 0.000 0.900 471 R CB 1.388 31.681 30.300 -0.012 0.000 1.152 471 R HN 0.573 nan 8.270 nan 0.000 0.513 472 c N 2.922 121.258 118.600 -0.440 0.000 2.394 472 c HA 0.278 4.849 4.570 0.002 0.000 0.362 472 c C 1.568 175.402 174.090 -0.426 0.000 1.268 472 c CA -0.239 55.703 56.329 -0.645 0.000 1.828 472 c CB -0.157 41.972 42.510 -0.634 0.000 2.442 472 c HN 0.956 nan 8.230 nan 0.000 0.549 473 S N 3.884 119.423 115.700 -0.270 0.000 2.629 473 S HA 0.595 5.066 4.470 0.002 0.000 0.236 473 S C 0.425 174.966 174.600 -0.099 0.000 1.010 473 S CA 0.255 58.365 58.200 -0.151 0.000 0.981 473 S CB 0.070 63.222 63.200 -0.080 0.000 0.919 473 S HN 1.858 nan 8.310 nan 0.000 0.514 474 G N 1.734 110.458 108.800 -0.126 0.000 2.321 474 G HA2 0.377 4.338 3.960 0.002 0.000 0.298 474 G HA3 0.377 4.338 3.960 0.002 0.000 0.298 474 G C -3.004 171.864 174.900 -0.054 0.000 1.385 474 G CA -0.451 44.621 45.100 -0.047 0.000 0.856 474 G HN -0.130 nan 8.290 nan 0.000 0.584 475 P HA 0.123 nan 4.420 nan 0.000 0.233 475 P C 1.236 178.566 177.300 0.048 0.000 1.167 475 P CA 1.318 64.441 63.100 0.039 0.000 0.770 475 P CB 0.376 32.097 31.700 0.035 0.000 0.837 476 G N 0.350 109.110 108.800 -0.066 0.000 2.525 476 G HA2 0.414 4.375 3.960 0.002 0.000 0.287 476 G HA3 0.414 4.375 3.960 0.002 0.000 0.287 476 G C -0.274 174.381 174.900 -0.407 0.000 1.350 476 G CA -0.783 44.208 45.100 -0.180 0.000 1.039 476 G HN 0.033 nan 8.290 nan 0.000 0.513 477 L N 1.091 121.980 121.223 -0.556 0.000 2.485 477 L HA 0.120 4.462 4.340 0.002 0.000 0.275 477 L C -1.863 174.788 176.870 -0.366 0.000 1.207 477 L CA -1.147 53.289 54.840 -0.674 0.000 0.855 477 L CB 0.508 42.287 42.059 -0.468 0.000 1.114 477 L HN 0.237 nan 8.230 nan 0.000 0.485 478 P HA 0.001 nan 4.420 nan 0.000 0.264 478 P C -0.888 176.279 177.300 -0.220 0.000 1.183 478 P CA 0.066 63.028 63.100 -0.230 0.000 0.763 478 P CB 0.531 32.176 31.700 -0.092 0.000 0.807 479 L N 5.674 126.690 121.223 -0.345 0.000 2.376 479 L HA 0.475 4.816 4.340 0.002 0.000 0.275 479 L C -1.652 175.016 176.870 -0.336 0.000 0.987 479 L CA -0.683 54.024 54.840 -0.221 0.000 0.828 479 L CB 0.832 42.798 42.059 -0.154 0.000 1.249 479 L HN 0.229 nan 8.230 nan 0.000 0.409 480 Y N 2.901 123.155 120.300 -0.078 0.000 2.331 480 Y HA 0.742 5.293 4.550 0.002 0.000 0.338 480 Y C 0.557 176.344 175.900 -0.187 0.000 0.992 480 Y CA -0.471 57.563 58.100 -0.110 0.000 1.121 480 Y CB 1.990 40.364 38.460 -0.145 0.000 1.184 480 Y HN 0.685 nan 8.280 nan 0.000 0.469 481 T N 1.142 115.690 114.554 -0.010 0.000 2.883 481 T HA 0.713 5.064 4.350 0.002 0.000 0.296 481 T C -1.279 173.329 174.700 -0.154 0.000 1.117 481 T CA -0.964 61.066 62.100 -0.117 0.000 1.006 481 T CB 1.737 70.582 68.868 -0.039 0.000 1.191 481 T HN 0.552 nan 8.240 nan 0.000 0.508 482 L N 1.304 122.304 121.223 -0.371 0.000 2.346 482 L HA 0.687 5.028 4.340 0.002 0.000 0.274 482 L C -1.116 175.370 176.870 -0.641 0.000 1.007 482 L CA -0.844 53.809 54.840 -0.313 0.000 0.818 482 L CB 1.722 43.636 42.059 -0.241 0.000 1.284 482 L HN 0.899 nan 8.230 nan 0.000 0.424 483 H N -0.000 118.810 119.070 -0.432 0.000 2.980 483 H HA 0.421 4.978 4.556 0.002 0.000 0.367 483 H C -0.699 174.380 175.328 -0.415 0.000 1.206 483 H CA -0.768 54.940 56.048 -0.567 0.000 1.126 483 H CB 1.969 31.072 29.762 -1.099 0.000 1.838 483 H HN 0.435 nan 8.280 nan 0.000 0.552 484 S N 0.020 115.665 115.700 -0.092 0.000 2.451 484 S HA 0.286 4.757 4.470 0.002 0.000 0.301 484 S C 0.316 174.900 174.600 -0.028 0.000 1.116 484 S CA -0.692 57.484 58.200 -0.040 0.000 1.093 484 S CB 1.607 64.811 63.200 0.007 0.000 1.017 484 S HN 0.558 nan 8.310 nan 0.000 0.482 485 S N 2.300 118.003 115.700 0.005 0.000 2.423 485 S HA -0.096 4.375 4.470 0.002 0.000 0.231 485 S C 1.854 176.486 174.600 0.054 0.000 1.014 485 S CA 0.807 59.098 58.200 0.152 0.000 0.965 485 S CB -0.398 62.875 63.200 0.122 0.000 0.785 485 S HN 0.701 nan 8.310 nan 0.000 0.495 486 V N 2.389 122.288 119.914 -0.024 0.000 2.324 486 V HA -0.228 3.893 4.120 0.002 0.000 0.250 486 V C 0.972 177.068 176.094 0.003 0.000 1.060 486 V CA 2.152 64.447 62.300 -0.010 0.000 1.042 486 V CB -0.403 31.402 31.823 -0.030 0.000 0.650 486 V HN 0.550 nan 8.190 nan 0.000 0.450 487 N N -1.737 116.966 118.700 0.005 0.000 2.143 487 N HA 0.152 4.893 4.740 0.002 0.000 0.222 487 N C -0.338 175.181 175.510 0.015 0.000 1.264 487 N CA 0.442 53.495 53.050 0.004 0.000 0.897 487 N CB 0.785 39.274 38.487 0.004 0.000 1.092 487 N HN 0.308 nan 8.380 nan 0.000 0.516 488 D N 0.877 121.308 120.400 0.052 0.000 2.907 488 D HA -0.155 4.486 4.640 0.002 0.000 0.226 488 D C -0.509 175.833 176.300 0.070 0.000 1.141 488 D CA 0.994 55.058 54.000 0.106 0.000 0.779 488 D CB -0.868 39.975 40.800 0.072 0.000 1.095 488 D HN 0.375 nan 8.370 nan 0.000 0.430 489 K N 0.430 120.848 120.400 0.030 0.000 2.298 489 K HA 0.365 4.686 4.320 0.002 0.000 0.280 489 K C 1.034 177.614 176.600 -0.033 0.000 1.032 489 K CA 0.098 56.388 56.287 0.005 0.000 0.958 489 K CB 0.916 33.409 32.500 -0.010 0.000 0.978 489 K HN 0.110 nan 8.250 nan 0.000 0.472 490 G N 3.225 111.987 108.800 -0.064 0.000 2.360 490 G HA2 0.136 4.097 3.960 0.002 0.000 0.279 490 G HA3 0.136 4.097 3.960 0.002 0.000 0.279 490 G C 0.842 175.588 174.900 -0.257 0.000 1.189 490 G CA -0.378 44.551 45.100 -0.286 0.000 0.941 490 G HN 0.592 nan 8.290 nan 0.000 0.445 491 L N 1.863 122.891 121.223 -0.325 0.000 2.068 491 L HA 0.253 4.594 4.340 0.002 0.000 0.204 491 L C 1.651 178.411 176.870 -0.183 0.000 1.076 491 L CA 0.951 55.674 54.840 -0.194 0.000 0.753 491 L CB -0.242 41.719 42.059 -0.164 0.000 0.910 491 L HN 0.785 nan 8.230 nan 0.000 0.439 492 R N -2.540 117.809 120.500 -0.251 0.000 2.829 492 R HA 0.344 4.685 4.340 0.002 0.000 0.283 492 R C -1.676 174.483 176.300 -0.236 0.000 1.013 492 R CA -0.953 55.029 56.100 -0.197 0.000 0.848 492 R CB 1.059 31.274 30.300 -0.143 0.000 1.291 492 R HN -0.297 nan 8.270 nan 0.000 0.496 493 V N 2.663 122.469 119.914 -0.180 0.000 2.432 493 V HA 0.204 4.325 4.120 0.002 0.000 0.275 493 V C 1.286 177.240 176.094 -0.233 0.000 1.043 493 V CA -0.429 61.766 62.300 -0.175 0.000 0.925 493 V CB 1.167 32.925 31.823 -0.107 0.000 0.985 493 V HN 0.626 nan 8.190 nan 0.000 0.466 494 L N 2.599 123.615 121.223 -0.346 0.000 2.202 494 L HA 0.278 4.619 4.340 0.002 0.000 0.205 494 L C 0.718 177.371 176.870 -0.363 0.000 1.083 494 L CA 0.736 55.191 54.840 -0.641 0.000 0.790 494 L CB 0.211 41.483 42.059 -1.312 0.000 0.942 494 L HN 0.695 nan 8.230 nan 0.000 0.452 495 E N -0.123 120.000 120.200 -0.130 0.000 2.343 495 E HA 0.090 4.441 4.350 0.002 0.000 0.286 495 E C -1.222 175.441 176.600 0.105 0.000 0.915 495 E CA -0.360 56.068 56.400 0.046 0.000 0.784 495 E CB 1.106 30.873 29.700 0.110 0.000 1.251 495 E HN 0.153 nan 8.360 nan 0.000 0.407 496 D N 3.053 123.484 120.400 0.051 0.000 2.469 496 D HA 0.152 4.793 4.640 0.002 0.000 0.213 496 D C -0.269 176.038 176.300 0.011 0.000 1.135 496 D CA -0.259 53.753 54.000 0.019 0.000 0.834 496 D CB -0.022 40.769 40.800 -0.014 0.000 1.009 496 D HN 0.439 nan 8.370 nan 0.000 0.507 497 N N 0.500 119.227 118.700 0.045 0.000 2.735 497 N HA -0.215 4.526 4.740 0.002 0.000 0.248 497 N C 0.990 176.503 175.510 0.006 0.000 1.083 497 N CA 0.924 53.992 53.050 0.031 0.000 0.703 497 N CB -1.347 37.143 38.487 0.005 0.000 1.005 497 N HN 0.492 nan 8.380 nan 0.000 0.550 498 S N -1.179 114.528 115.700 0.011 0.000 2.399 498 S HA -0.053 4.418 4.470 0.002 0.000 0.231 498 S C 2.099 176.712 174.600 0.021 0.000 1.022 498 S CA 1.000 59.204 58.200 0.006 0.000 0.983 498 S CB -0.144 63.061 63.200 0.007 0.000 0.803 498 S HN 0.508 nan 8.310 nan 0.000 0.480 499 A N 2.061 124.904 122.820 0.037 0.000 1.877 499 A HA 0.046 4.367 4.320 0.002 0.000 0.216 499 A C 2.245 179.872 177.584 0.070 0.000 1.186 499 A CA 1.647 53.716 52.037 0.053 0.000 0.620 499 A CB -0.951 18.084 19.000 0.059 0.000 0.822 499 A HN 0.525 nan 8.150 nan 0.000 0.443 500 L N 0.307 121.574 121.223 0.074 0.000 2.083 500 L HA -0.143 4.198 4.340 0.002 0.000 0.209 500 L C 1.898 178.804 176.870 0.060 0.000 1.083 500 L CA 2.743 57.644 54.840 0.102 0.000 0.752 500 L CB -0.729 41.389 42.059 0.098 0.000 0.899 500 L HN 0.514 nan 8.230 nan 0.000 0.433 501 D N -0.894 119.513 120.400 0.012 0.000 2.123 501 D HA -0.222 4.419 4.640 0.002 0.000 0.196 501 D C 2.021 178.328 176.300 0.011 0.000 0.992 501 D CA 1.225 55.216 54.000 -0.015 0.000 0.833 501 D CB 0.117 40.898 40.800 -0.033 0.000 0.954 501 D HN 0.108 nan 8.370 nan 0.000 0.455 502 K N -0.180 120.238 120.400 0.031 0.000 2.057 502 K HA -0.099 4.222 4.320 0.002 0.000 0.207 502 K C 2.249 178.888 176.600 0.065 0.000 1.049 502 K CA 0.894 57.206 56.287 0.042 0.000 0.931 502 K CB -0.446 32.081 32.500 0.046 0.000 0.714 502 K HN 0.390 nan 8.250 nan 0.000 0.440 503 M N 0.336 119.998 119.600 0.103 0.000 2.132 503 M HA -0.106 4.375 4.480 0.002 0.000 0.263 503 M C 2.081 178.435 176.300 0.090 0.000 1.065 503 M CA 1.314 56.717 55.300 0.172 0.000 1.122 503 M CB -0.223 32.574 32.600 0.328 0.000 1.365 503 M HN 0.012 nan 8.290 nan 0.000 0.411 504 L N 0.195 121.418 121.223 -0.001 0.000 2.291 504 L HA -0.176 4.165 4.340 0.002 0.000 0.214 504 L C 2.564 179.405 176.870 -0.049 0.000 1.120 504 L CA 0.768 55.548 54.840 -0.101 0.000 0.799 504 L CB -0.735 41.270 42.059 -0.090 0.000 0.925 504 L HN 0.469 nan 8.230 nan 0.000 0.446 505 Q N -0.639 119.156 119.800 -0.008 0.000 2.437 505 Q HA -0.114 4.227 4.340 0.002 0.000 0.210 505 Q C 0.732 176.742 176.000 0.017 0.000 0.972 505 Q CA 0.906 56.710 55.803 0.001 0.000 0.903 505 Q CB -0.254 28.490 28.738 0.010 0.000 0.967 505 Q HN 0.498 nan 8.270 nan 0.000 0.486 506 N N 0.879 119.596 118.700 0.029 0.000 2.251 506 N HA 0.134 4.875 4.740 0.002 0.000 0.217 506 N C -0.820 174.721 175.510 0.052 0.000 1.124 506 N CA 0.117 53.197 53.050 0.051 0.000 0.843 506 N CB 1.708 40.241 38.487 0.077 0.000 1.024 506 N HN 0.105 nan 8.380 nan 0.000 0.501 507 V N 0.642 120.564 119.914 0.013 0.000 2.841 507 V HA 0.246 4.368 4.120 0.002 0.000 0.310 507 V C -1.132 174.961 176.094 -0.002 0.000 1.090 507 V CA -0.767 61.540 62.300 0.012 0.000 0.930 507 V CB 2.455 34.245 31.823 -0.056 0.000 1.014 507 V HN 0.003 nan 8.190 nan 0.000 0.425 508 Q N 6.369 126.183 119.800 0.025 0.000 2.452 508 Q HA 0.363 4.704 4.340 0.002 0.000 0.230 508 Q C -0.474 175.503 176.000 -0.038 0.000 1.180 508 Q CA -0.179 55.614 55.803 -0.016 0.000 0.914 508 Q CB 0.679 29.434 28.738 0.028 0.000 1.408 508 Q HN 0.589 nan 8.270 nan 0.000 0.520 509 M N 3.761 123.316 119.600 -0.075 0.000 2.288 509 M HA 0.395 4.876 4.480 0.002 0.000 0.334 509 M C -2.007 174.222 176.300 -0.118 0.000 1.150 509 M CA -2.544 52.701 55.300 -0.092 0.000 1.118 509 M CB 0.172 32.715 32.600 -0.095 0.000 1.501 509 M HN 0.313 nan 8.290 nan 0.000 0.462 510 P HA 0.249 nan 4.420 nan 0.000 0.276 510 P C -0.766 176.444 177.300 -0.151 0.000 1.261 510 P CA -0.330 62.678 63.100 -0.152 0.000 0.800 510 P CB 0.664 32.263 31.700 -0.170 0.000 1.066 511 S N -0.670 114.927 115.700 -0.172 0.000 2.704 511 S HA 0.624 5.095 4.470 0.002 0.000 0.305 511 S C -0.524 173.971 174.600 -0.176 0.000 1.107 511 S CA -0.753 57.357 58.200 -0.150 0.000 0.993 511 S CB 1.675 64.788 63.200 -0.146 0.000 1.110 511 S HN 0.520 nan 8.310 nan 0.000 0.534 512 K N 0.390 120.710 120.400 -0.133 0.000 2.397 512 K HA 0.426 4.747 4.320 0.002 0.000 0.253 512 K C -1.416 175.121 176.600 -0.106 0.000 0.932 512 K CA -0.534 55.679 56.287 -0.124 0.000 0.795 512 K CB 1.466 33.916 32.500 -0.083 0.000 1.159 512 K HN 0.728 nan 8.250 nan 0.000 0.424 513 K N 5.570 125.897 120.400 -0.121 0.000 2.274 513 K HA 0.356 4.677 4.320 0.002 0.000 0.262 513 K C -1.444 175.116 176.600 -0.067 0.000 0.961 513 K CA -0.711 55.518 56.287 -0.096 0.000 0.833 513 K CB 1.066 33.484 32.500 -0.136 0.000 1.102 513 K HN 0.563 nan 8.250 nan 0.000 0.436 514 L N 4.488 125.691 121.223 -0.033 0.000 2.343 514 L HA 0.437 4.778 4.340 0.002 0.000 0.278 514 L C -1.259 175.617 176.870 0.011 0.000 0.996 514 L CA -0.236 54.617 54.840 0.022 0.000 0.831 514 L CB 1.356 43.498 42.059 0.138 0.000 1.232 514 L HN 0.872 nan 8.230 nan 0.000 0.413 515 D N 3.006 123.232 120.400 -0.290 0.000 2.921 515 D HA 0.534 5.175 4.640 0.002 0.000 0.329 515 D C -1.500 174.446 176.300 -0.591 0.000 1.293 515 D CA 0.024 53.771 54.000 -0.421 0.000 0.964 515 D CB 2.050 42.577 40.800 -0.454 0.000 1.435 515 D HN 0.210 nan 8.370 nan 0.000 0.548 516 F N -0.315 119.304 119.950 -0.553 0.000 2.643 516 F HA 0.722 5.250 4.527 0.002 0.000 0.314 516 F C -0.857 175.018 175.800 0.125 0.000 1.096 516 F CA -1.087 56.707 58.000 -0.344 0.000 0.953 516 F CB 0.790 39.138 39.000 -1.086 0.000 1.345 516 F HN 0.318 nan 8.300 nan 0.000 0.468 517 I N -0.237 120.599 120.570 0.444 0.000 3.067 517 I HA 0.756 4.927 4.170 0.002 0.000 0.312 517 I C -1.438 174.917 176.117 0.398 0.000 1.073 517 I CA -1.333 60.153 61.300 0.309 0.000 1.016 517 I CB 2.503 40.657 38.000 0.255 0.000 1.227 517 I HN 0.651 nan 8.210 nan 0.000 0.456 518 I N 3.592 124.327 120.570 0.274 0.000 2.389 518 I HA 0.405 4.576 4.170 0.002 0.000 0.288 518 I C -0.938 175.318 176.117 0.233 0.000 0.999 518 I CA -0.443 61.019 61.300 0.269 0.000 1.129 518 I CB 1.826 39.946 38.000 0.200 0.000 1.288 518 I HN 0.372 nan 8.210 nan 0.000 0.444 519 L N 7.093 128.515 121.223 0.330 0.000 2.305 519 L HA 0.403 4.744 4.340 0.002 0.000 0.284 519 L C -0.204 176.796 176.870 0.217 0.000 1.013 519 L CA -0.956 54.038 54.840 0.258 0.000 0.819 519 L CB 1.265 43.503 42.059 0.299 0.000 1.227 519 L HN 0.722 nan 8.230 nan 0.000 0.417 520 N N 4.338 123.109 118.700 0.119 0.000 2.724 520 N HA -0.284 4.457 4.740 0.002 0.000 0.293 520 N C 0.249 175.807 175.510 0.081 0.000 1.090 520 N CA 1.029 54.128 53.050 0.081 0.000 0.793 520 N CB -0.664 37.856 38.487 0.054 0.000 0.958 520 N HN 0.882 nan 8.380 nan 0.000 0.575 521 E N -3.801 116.440 120.200 0.069 0.000 4.851 521 E HA -0.194 4.157 4.350 0.002 0.000 0.191 521 E C -0.299 176.314 176.600 0.022 0.000 0.953 521 E CA 2.124 58.549 56.400 0.042 0.000 2.275 521 E CB -1.615 28.100 29.700 0.025 0.000 1.723 521 E HN 0.739 nan 8.360 nan 0.000 0.514 522 T N 3.325 117.895 114.554 0.027 0.000 2.882 522 T HA 0.396 4.747 4.350 0.002 0.000 0.287 522 T C 0.315 174.911 174.700 -0.174 0.000 0.992 522 T CA -0.510 61.518 62.100 -0.121 0.000 1.076 522 T CB 1.508 70.235 68.868 -0.234 0.000 0.961 522 T HN 0.109 nan 8.240 nan 0.000 0.490 523 K N 2.163 122.383 120.400 -0.300 0.000 2.172 523 K HA 0.534 4.855 4.320 0.002 0.000 0.276 523 K C -1.337 175.023 176.600 -0.400 0.000 1.013 523 K CA -0.541 55.616 56.287 -0.217 0.000 0.913 523 K CB 0.777 33.019 32.500 -0.429 0.000 1.055 523 K HN 0.399 nan 8.250 nan 0.000 0.461 524 F N 1.666 121.725 119.950 0.182 0.000 2.518 524 F HA 0.319 4.847 4.527 0.002 0.000 0.323 524 F C -0.670 175.297 175.800 0.278 0.000 1.129 524 F CA -0.828 57.294 58.000 0.203 0.000 0.920 524 F CB 1.106 40.215 39.000 0.182 0.000 1.160 524 F HN 0.527 nan 8.300 nan 0.000 0.440 525 W N 3.575 125.057 121.300 0.303 0.000 2.237 525 W HA 0.475 5.136 4.660 0.002 0.000 0.335 525 W C -0.537 176.224 176.519 0.403 0.000 1.230 525 W CA -0.451 57.087 57.345 0.321 0.000 1.253 525 W CB 0.423 29.987 29.460 0.173 0.000 1.129 525 W HN 0.441 nan 8.180 nan 0.000 0.590 526 Y N -0.595 120.072 120.300 0.612 0.000 2.625 526 Y HA 0.619 5.170 4.550 0.002 0.000 0.338 526 Y C -1.060 175.076 175.900 0.393 0.000 1.123 526 Y CA -1.928 56.516 58.100 0.574 0.000 1.046 526 Y CB 1.012 39.968 38.460 0.827 0.000 1.299 526 Y HN 0.576 nan 8.280 nan 0.000 0.464 527 Q N 2.386 122.436 119.800 0.417 0.000 2.423 527 Q HA 0.803 5.144 4.340 0.002 0.000 0.278 527 Q C -1.767 174.353 176.000 0.200 0.000 1.097 527 Q CA -1.207 54.713 55.803 0.195 0.000 0.809 527 Q CB 3.424 32.242 28.738 0.133 0.000 1.391 527 Q HN 0.848 nan 8.270 nan 0.000 0.428 528 M N 2.330 121.963 119.600 0.055 0.000 2.267 528 M HA 0.424 4.905 4.480 0.002 0.000 0.289 528 M C -1.306 174.906 176.300 -0.147 0.000 1.043 528 M CA -0.893 54.370 55.300 -0.062 0.000 0.928 528 M CB 2.233 34.748 32.600 -0.142 0.000 1.613 528 M HN 0.600 nan 8.290 nan 0.000 0.450 529 I N 5.014 125.496 120.570 -0.146 0.000 2.301 529 I HA 0.345 4.516 4.170 0.002 0.000 0.292 529 I C -0.365 175.588 176.117 -0.274 0.000 1.046 529 I CA -0.242 60.948 61.300 -0.185 0.000 1.282 529 I CB 0.263 38.176 38.000 -0.145 0.000 1.409 529 I HN 0.642 nan 8.210 nan 0.000 0.484 530 L N 8.491 129.496 121.223 -0.363 0.000 2.289 530 L HA 0.437 4.778 4.340 0.002 0.000 0.285 530 L C -2.183 174.489 176.870 -0.329 0.000 1.049 530 L CA -1.809 52.717 54.840 -0.523 0.000 0.804 530 L CB 1.200 42.744 42.059 -0.858 0.000 1.195 530 L HN 0.259 nan 8.230 nan 0.000 0.428 531 P HA 0.073 nan 4.420 nan 0.000 0.269 531 P C -2.474 174.792 177.300 -0.056 0.000 1.217 531 P CA -0.790 62.246 63.100 -0.106 0.000 0.783 531 P CB -0.077 31.617 31.700 -0.010 0.000 0.898 532 P HA 0.033 nan 4.420 nan 0.000 0.269 532 P C -0.584 176.677 177.300 -0.063 0.000 1.209 532 P CA 0.383 63.379 63.100 -0.174 0.000 0.776 532 P CB -0.186 31.365 31.700 -0.248 0.000 0.876 533 H N -1.810 117.302 119.070 0.069 0.000 2.791 533 H HA -0.214 4.343 4.556 0.002 0.000 0.302 533 H C -0.091 175.305 175.328 0.113 0.000 1.198 533 H CA -0.286 55.807 56.048 0.075 0.000 1.145 533 H CB -2.343 27.454 29.762 0.058 0.000 1.385 533 H HN 0.308 nan 8.280 nan 0.000 0.409 534 F N 2.416 122.370 119.950 0.007 0.000 2.612 534 F HA 0.051 4.579 4.527 0.002 0.000 0.389 534 F C 0.599 176.419 175.800 0.033 0.000 1.055 534 F CA -0.018 57.947 58.000 -0.058 0.000 1.232 534 F CB 0.414 39.269 39.000 -0.242 0.000 1.044 534 F HN 0.272 nan 8.300 nan 0.000 0.560 535 D N 6.258 126.352 120.400 -0.510 0.000 2.461 535 D HA 0.119 4.760 4.640 0.002 0.000 0.240 535 D C 0.671 176.593 176.300 -0.630 0.000 1.094 535 D CA -0.572 53.191 54.000 -0.395 0.000 0.868 535 D CB 1.016 41.736 40.800 -0.133 0.000 1.062 535 D HN 0.698 nan 8.370 nan 0.000 0.530 536 K N 1.139 121.174 120.400 -0.608 0.000 2.442 536 K HA -0.138 4.183 4.320 0.002 0.000 0.199 536 K C 1.261 177.854 176.600 -0.011 0.000 1.044 536 K CA 1.218 57.327 56.287 -0.296 0.000 0.941 536 K CB -0.040 32.454 32.500 -0.010 0.000 0.759 536 K HN 0.190 nan 8.250 nan 0.000 0.472 537 S N -0.078 115.581 115.700 -0.068 0.000 2.528 537 S HA 0.043 4.514 4.470 0.002 0.000 0.219 537 S C 0.601 175.176 174.600 -0.041 0.000 0.985 537 S CA -0.371 57.814 58.200 -0.026 0.000 0.914 537 S CB 0.031 63.206 63.200 -0.041 0.000 0.776 537 S HN 0.298 nan 8.310 nan 0.000 0.526 538 K N 1.463 121.819 120.400 -0.074 0.000 2.098 538 K HA 0.332 4.653 4.320 0.002 0.000 0.261 538 K C -0.802 175.751 176.600 -0.079 0.000 0.987 538 K CA -0.521 55.667 56.287 -0.165 0.000 0.916 538 K CB 0.679 32.960 32.500 -0.365 0.000 1.039 538 K HN 0.105 nan 8.250 nan 0.000 0.455 539 K N 3.439 123.748 120.400 -0.152 0.000 2.281 539 K HA 0.189 4.510 4.320 0.002 0.000 0.272 539 K C -1.199 175.338 176.600 -0.105 0.000 1.048 539 K CA -0.474 55.794 56.287 -0.031 0.000 0.898 539 K CB 0.728 33.196 32.500 -0.054 0.000 1.128 539 K HN 0.382 nan 8.250 nan 0.000 0.460 540 Y N 3.086 123.413 120.300 0.045 0.000 2.376 540 Y HA 0.260 4.811 4.550 0.002 0.000 0.325 540 Y C -1.851 173.985 175.900 -0.107 0.000 1.199 540 Y CA -2.624 55.475 58.100 -0.002 0.000 1.206 540 Y CB 0.465 38.982 38.460 0.096 0.000 1.229 540 Y HN 0.484 nan 8.280 nan 0.000 0.480 541 P HA 0.217 nan 4.420 nan 0.000 0.274 541 P C -1.157 175.959 177.300 -0.308 0.000 1.231 541 P CA -0.246 62.553 63.100 -0.501 0.000 0.790 541 P CB 1.651 32.706 31.700 -1.076 0.000 0.951 542 L N 2.374 123.449 121.223 -0.246 0.000 2.408 542 L HA 0.528 4.869 4.340 0.002 0.000 0.268 542 L C -1.225 175.808 176.870 0.272 0.000 0.986 542 L CA -1.034 53.828 54.840 0.037 0.000 0.820 542 L CB 1.731 43.833 42.059 0.072 0.000 1.303 542 L HN 0.254 nan 8.230 nan 0.000 0.411 543 L N 5.517 126.931 121.223 0.317 0.000 2.305 543 L HA 0.434 4.775 4.340 0.002 0.000 0.284 543 L C -1.192 175.915 176.870 0.396 0.000 1.013 543 L CA -0.882 54.215 54.840 0.428 0.000 0.819 543 L CB 1.771 44.039 42.059 0.349 0.000 1.227 543 L HN 0.608 nan 8.230 nan 0.000 0.417 544 L N 5.278 126.783 121.223 0.470 0.000 2.268 544 L HA 0.312 4.653 4.340 0.002 0.000 0.289 544 L C -0.225 176.886 176.870 0.402 0.000 1.064 544 L CA 0.049 55.152 54.840 0.438 0.000 0.824 544 L CB 0.731 43.089 42.059 0.497 0.000 1.202 544 L HN 0.462 nan 8.230 nan 0.000 0.433 545 D N 4.341 124.959 120.400 0.364 0.000 2.336 545 D HA 0.227 4.868 4.640 0.002 0.000 0.249 545 D C -0.934 175.454 176.300 0.146 0.000 1.213 545 D CA 0.188 54.331 54.000 0.238 0.000 0.870 545 D CB 1.207 42.208 40.800 0.335 0.000 1.076 545 D HN 0.341 nan 8.370 nan 0.000 0.483 546 V N 5.399 125.322 119.914 0.015 0.000 2.914 546 V HA 0.460 4.581 4.120 0.002 0.000 0.314 546 V C -1.017 175.167 176.094 0.150 0.000 1.084 546 V CA -0.453 61.919 62.300 0.120 0.000 0.963 546 V CB 1.890 33.789 31.823 0.127 0.000 1.025 546 V HN 0.650 nan 8.190 nan 0.000 0.432 547 Y N 4.515 124.886 120.300 0.118 0.000 3.266 547 Y HA 0.575 5.126 4.550 0.002 0.000 0.189 547 Y C 1.463 177.508 175.900 0.243 0.000 0.895 547 Y CA 1.424 59.625 58.100 0.168 0.000 1.706 547 Y CB 0.065 38.605 38.460 0.132 0.000 1.449 547 Y HN 1.190 nan 8.280 nan 0.000 0.391 548 A N 0.836 123.758 122.820 0.169 0.000 2.899 548 A HA -0.146 4.175 4.320 0.002 0.000 0.257 548 A C 0.967 178.366 177.584 -0.307 0.000 1.335 548 A CA 1.009 53.078 52.037 0.053 0.000 0.924 548 A CB -2.467 16.627 19.000 0.157 0.000 1.105 548 A HN 1.030 nan 8.150 nan 0.000 0.765 549 G N -0.907 107.426 108.800 -0.778 0.000 2.606 549 G HA2 0.477 4.438 3.960 0.002 0.000 0.252 549 G HA3 0.477 4.438 3.960 0.002 0.000 0.252 549 G C -2.233 172.326 174.900 -0.568 0.000 1.206 549 G CA -0.819 43.416 45.100 -1.442 0.000 0.861 549 G HN 0.289 nan 8.290 nan 0.000 0.561 550 P HA 0.065 nan 4.420 nan 0.000 0.261 550 P C 0.625 177.777 177.300 -0.248 0.000 1.183 550 P CA 0.176 62.992 63.100 -0.474 0.000 0.761 550 P CB 0.668 31.693 31.700 -1.124 0.000 0.785 551 C N 2.529 121.751 119.300 -0.129 0.000 4.392 551 C HA -0.162 4.299 4.460 0.002 0.000 0.280 551 C C 1.016 176.008 174.990 0.003 0.000 1.381 551 C CA 1.176 60.084 59.018 -0.183 0.000 1.871 551 C CB -2.679 24.788 27.740 -0.456 0.000 1.323 551 C HN 0.796 nan 8.230 nan 0.000 0.772 552 S N 0.046 115.827 115.700 0.136 0.000 2.632 552 S HA 0.562 5.033 4.470 0.002 0.000 0.267 552 S C -0.601 174.166 174.600 0.279 0.000 1.276 552 S CA 0.189 58.567 58.200 0.297 0.000 0.998 552 S CB 1.592 65.059 63.200 0.445 0.000 0.953 552 S HN 0.831 nan 8.310 nan 0.000 0.547 553 Q N -0.061 119.931 119.800 0.319 0.000 2.309 553 Q HA 0.348 4.689 4.340 0.002 0.000 0.254 553 Q C -0.768 175.366 176.000 0.223 0.000 0.938 553 Q CA -0.610 55.370 55.803 0.294 0.000 0.789 553 Q CB 1.045 30.015 28.738 0.386 0.000 1.313 553 Q HN 0.705 nan 8.270 nan 0.000 0.438 554 K N 1.041 121.569 120.400 0.213 0.000 2.373 554 K HA 0.333 4.654 4.320 0.002 0.000 0.200 554 K C -0.397 176.315 176.600 0.187 0.000 1.054 554 K CA 0.240 56.642 56.287 0.193 0.000 1.065 554 K CB 1.566 34.205 32.500 0.231 0.000 0.886 554 K HN 0.489 nan 8.250 nan 0.000 0.546 555 A N 2.738 125.678 122.820 0.199 0.000 2.277 555 A HA 0.446 4.767 4.320 0.002 0.000 0.318 555 A C -0.807 176.855 177.584 0.130 0.000 1.339 555 A CA -0.524 51.633 52.037 0.201 0.000 0.875 555 A CB 0.191 19.373 19.000 0.303 0.000 1.158 555 A HN 0.239 nan 8.150 nan 0.000 0.514 556 D N -0.084 120.366 120.400 0.083 0.000 2.752 556 D HA 0.433 5.074 4.640 0.002 0.000 0.313 556 D C 0.398 176.712 176.300 0.023 0.000 1.225 556 D CA 0.284 54.318 54.000 0.057 0.000 0.976 556 D CB 0.336 41.167 40.800 0.052 0.000 1.443 556 D HN 0.179 nan 8.370 nan 0.000 0.515 557 T N -2.311 112.269 114.554 0.043 0.000 3.186 557 T HA 0.319 4.670 4.350 0.002 0.000 0.257 557 T C 0.375 175.030 174.700 -0.076 0.000 1.029 557 T CA -0.387 61.729 62.100 0.027 0.000 0.916 557 T CB -0.685 68.246 68.868 0.105 0.000 1.041 557 T HN 0.266 nan 8.240 nan 0.000 0.562 558 V N 2.566 122.328 119.914 -0.253 0.000 2.637 558 V HA 0.312 4.433 4.120 0.002 0.000 0.296 558 V C 0.122 176.149 176.094 -0.111 0.000 1.046 558 V CA -0.918 61.194 62.300 -0.313 0.000 1.066 558 V CB 0.085 31.604 31.823 -0.506 0.000 0.968 558 V HN 0.577 nan 8.190 nan 0.000 0.483 559 F N 6.488 126.334 119.950 -0.175 0.000 2.445 559 F HA 0.549 5.077 4.527 0.002 0.000 0.359 559 F C 0.493 176.234 175.800 -0.100 0.000 1.101 559 F CA -0.143 57.784 58.000 -0.122 0.000 1.177 559 F CB 0.206 39.142 39.000 -0.107 0.000 1.110 559 F HN 0.433 nan 8.300 nan 0.000 0.522 560 R N 5.512 125.536 120.500 -0.794 0.000 2.744 560 R HA 0.597 4.938 4.340 0.002 0.000 0.279 560 R C -1.961 173.921 176.300 -0.697 0.000 0.977 560 R CA -1.288 54.481 56.100 -0.553 0.000 0.906 560 R CB 2.010 32.153 30.300 -0.261 0.000 1.197 560 R HN 0.482 nan 8.270 nan 0.000 0.463 561 L N 3.848 124.848 121.223 -0.371 0.000 2.366 561 L HA 0.356 4.697 4.340 0.002 0.000 0.266 561 L C -0.933 175.925 176.870 -0.019 0.000 1.010 561 L CA -0.412 54.262 54.840 -0.276 0.000 0.879 561 L CB 0.559 42.582 42.059 -0.061 0.000 1.228 561 L HN 0.760 nan 8.230 nan 0.000 0.439 562 N N 0.390 119.013 118.700 -0.127 0.000 3.479 562 N HA 0.197 4.938 4.740 0.002 0.000 0.336 562 N C 0.459 175.640 175.510 -0.549 0.000 1.623 562 N CA -0.774 52.130 53.050 -0.243 0.000 0.759 562 N CB -0.097 38.346 38.487 -0.072 0.000 2.016 562 N HN 0.203 nan 8.380 nan 0.000 0.637 563 W N 0.615 121.318 121.300 -0.994 0.000 2.338 563 W HA 0.158 4.819 4.660 0.001 0.000 0.304 563 W C 2.071 178.527 176.519 -0.106 0.000 1.212 563 W CA 2.823 59.797 57.345 -0.619 0.000 1.264 563 W CB -1.034 28.217 29.460 -0.348 0.000 1.142 563 W HN 0.690 nan 8.180 nan 0.000 0.512 564 A N -0.578 122.210 122.820 -0.054 0.000 1.978 564 A HA -0.208 4.113 4.320 0.002 0.000 0.220 564 A C 1.933 179.409 177.584 -0.179 0.000 1.170 564 A CA 2.439 54.385 52.037 -0.151 0.000 0.636 564 A CB -1.250 17.748 19.000 -0.003 0.000 0.810 564 A HN 0.300 nan 8.150 nan 0.000 0.448 565 T N -1.310 113.154 114.554 -0.150 0.000 2.746 565 T HA -0.180 4.171 4.350 0.002 0.000 0.267 565 T C 1.800 176.513 174.700 0.022 0.000 1.039 565 T CA 1.689 63.677 62.100 -0.187 0.000 1.142 565 T CB -0.441 68.145 68.868 -0.470 0.000 0.866 565 T HN 0.696 nan 8.240 nan 0.000 0.444 566 Y N 2.133 122.495 120.300 0.102 0.000 2.163 566 Y HA -0.009 4.542 4.550 0.001 0.000 0.288 566 Y C 1.939 177.820 175.900 -0.032 0.000 1.136 566 Y CA 0.881 59.081 58.100 0.166 0.000 1.147 566 Y CB -0.811 37.738 38.460 0.149 0.000 0.987 566 Y HN 0.110 nan 8.280 nan 0.000 0.509 567 L N 0.299 121.067 121.223 -0.759 0.000 2.042 567 L HA -0.252 4.089 4.340 0.002 0.000 0.210 567 L C 2.816 179.433 176.870 -0.422 0.000 1.076 567 L CA 1.465 55.817 54.840 -0.813 0.000 0.749 567 L CB -1.061 40.578 42.059 -0.699 0.000 0.893 567 L HN 0.425 nan 8.230 nan 0.000 0.432 568 A N -1.191 121.463 122.820 -0.276 0.000 1.874 568 A HA -0.173 4.148 4.320 0.002 0.000 0.214 568 A C 2.519 180.036 177.584 -0.111 0.000 1.189 568 A CA 1.696 53.630 52.037 -0.172 0.000 0.615 568 A CB -0.652 18.243 19.000 -0.175 0.000 0.830 568 A HN 0.329 nan 8.150 nan 0.000 0.443 569 S N -1.110 114.543 115.700 -0.079 0.000 2.348 569 S HA -0.127 4.344 4.470 0.002 0.000 0.221 569 S C 2.027 176.647 174.600 0.033 0.000 1.033 569 S CA 2.337 60.539 58.200 0.004 0.000 1.010 569 S CB -0.448 62.809 63.200 0.095 0.000 0.891 569 S HN 0.572 nan 8.310 nan 0.000 0.442 570 T N 1.230 115.791 114.554 0.010 0.000 2.983 570 T HA 0.167 4.518 4.350 0.002 0.000 0.250 570 T C 1.431 176.111 174.700 -0.032 0.000 1.037 570 T CA 0.628 62.755 62.100 0.044 0.000 1.142 570 T CB -0.106 68.885 68.868 0.206 0.000 0.876 570 T HN 0.312 nan 8.240 nan 0.000 0.455 571 E N 1.192 121.277 120.200 -0.192 0.000 2.474 571 E HA 0.161 4.512 4.350 0.002 0.000 0.194 571 E C 0.045 176.628 176.600 -0.029 0.000 1.041 571 E CA -0.050 56.276 56.400 -0.124 0.000 0.874 571 E CB -0.280 29.275 29.700 -0.243 0.000 0.914 571 E HN 0.543 nan 8.360 nan 0.000 0.498 572 N N 0.495 119.189 118.700 -0.010 0.000 2.754 572 N HA -0.185 4.556 4.740 0.002 0.000 0.248 572 N C -0.809 174.781 175.510 0.134 0.000 1.093 572 N CA 0.226 53.339 53.050 0.104 0.000 0.699 572 N CB -1.235 37.357 38.487 0.175 0.000 1.016 572 N HN 0.189 nan 8.380 nan 0.000 0.552 573 I N 0.879 121.454 120.570 0.008 0.000 2.412 573 I HA 0.370 4.541 4.170 0.002 0.000 0.296 573 I C 0.576 176.662 176.117 -0.051 0.000 0.987 573 I CA -0.841 60.467 61.300 0.014 0.000 1.180 573 I CB 1.401 39.417 38.000 0.027 0.000 1.340 573 I HN 0.021 nan 8.210 nan 0.000 0.455 574 I N 6.253 126.799 120.570 -0.040 0.000 2.371 574 I HA 0.181 4.352 4.170 0.002 0.000 0.290 574 I C -0.456 175.640 176.117 -0.035 0.000 1.028 574 I CA -0.455 60.781 61.300 -0.107 0.000 1.345 574 I CB 1.118 39.061 38.000 -0.095 0.000 1.407 574 I HN 0.193 nan 8.210 nan 0.000 0.501 575 V N 6.757 126.639 119.914 -0.053 0.000 2.334 575 V HA 0.593 4.714 4.120 0.002 0.000 0.281 575 V C 0.348 176.469 176.094 0.045 0.000 1.016 575 V CA -0.441 61.881 62.300 0.037 0.000 0.832 575 V CB 1.104 32.942 31.823 0.025 0.000 0.999 575 V HN 0.839 nan 8.190 nan 0.000 0.439 576 A N 3.988 126.867 122.820 0.098 0.000 2.330 576 A HA 0.956 5.277 4.320 0.002 0.000 0.329 576 A C -0.137 177.610 177.584 0.273 0.000 1.135 576 A CA -0.514 51.584 52.037 0.102 0.000 0.817 576 A CB 1.691 20.609 19.000 -0.137 0.000 1.269 576 A HN 0.679 nan 8.150 nan 0.000 0.469 577 S N -0.329 115.582 115.700 0.351 0.000 2.546 577 S HA 0.729 5.200 4.470 0.002 0.000 0.274 577 S C -1.505 173.458 174.600 0.605 0.000 1.121 577 S CA -0.302 58.149 58.200 0.418 0.000 0.887 577 S CB 1.325 64.709 63.200 0.306 0.000 1.094 577 S HN 0.770 nan 8.310 nan 0.000 0.474 578 F N 1.819 122.013 119.950 0.406 0.000 2.556 578 F HA 0.513 5.041 4.527 0.002 0.000 0.314 578 F C -1.514 174.495 175.800 0.348 0.000 1.106 578 F CA -0.797 57.465 58.000 0.436 0.000 0.911 578 F CB 1.541 40.766 39.000 0.375 0.000 1.190 578 F HN 0.390 nan 8.300 nan 0.000 0.448 579 D N 4.455 124.632 120.400 -0.371 0.000 2.473 579 D HA 0.376 5.017 4.640 0.002 0.000 0.226 579 D C 0.325 176.312 176.300 -0.522 0.000 1.089 579 D CA 0.097 53.960 54.000 -0.229 0.000 0.883 579 D CB 1.447 42.288 40.800 0.068 0.000 1.029 579 D HN 0.770 nan 8.370 nan 0.000 0.517 580 G N 1.170 109.716 108.800 -0.422 0.000 2.641 580 G HA2 0.303 4.264 3.960 0.002 0.000 0.239 580 G HA3 0.303 4.264 3.960 0.002 0.000 0.239 580 G C 0.163 175.047 174.900 -0.028 0.000 1.402 580 G CA -0.728 44.157 45.100 -0.359 0.000 1.046 580 G HN 0.282 nan 8.290 nan 0.000 0.565 581 R N -0.778 119.682 120.500 -0.066 0.000 2.638 581 R HA 0.335 4.676 4.340 0.002 0.000 0.268 581 R C 1.316 177.695 176.300 0.132 0.000 1.006 581 R CA 1.556 57.728 56.100 0.120 0.000 1.088 581 R CB 0.320 30.673 30.300 0.089 0.000 0.950 581 R HN 1.089 nan 8.270 nan 0.000 0.419 582 G N 1.203 110.084 108.800 0.134 0.000 2.234 582 G HA2 -0.291 3.670 3.960 0.002 0.000 0.235 582 G HA3 -0.291 3.670 3.960 0.002 0.000 0.235 582 G C 0.275 175.203 174.900 0.046 0.000 0.997 582 G CA 0.122 45.280 45.100 0.096 0.000 0.623 582 G HN 0.590 nan 8.290 nan 0.000 0.514 583 S N 0.789 116.530 115.700 0.068 0.000 2.576 583 S HA 0.511 4.982 4.470 0.002 0.000 0.272 583 S C 1.020 175.612 174.600 -0.013 0.000 1.352 583 S CA 0.531 58.767 58.200 0.060 0.000 1.021 583 S CB 0.932 64.201 63.200 0.114 0.000 0.887 583 S HN 1.320 nan 8.310 nan 0.000 0.542 584 G N -0.158 108.600 108.800 -0.071 0.000 2.601 584 G HA2 0.514 4.475 3.960 0.002 0.000 0.317 584 G HA3 0.514 4.475 3.960 0.002 0.000 0.317 584 G C -1.041 173.724 174.900 -0.225 0.000 1.246 584 G CA -0.675 44.226 45.100 -0.333 0.000 1.012 584 G HN 0.812 nan 8.290 nan 0.000 0.494 585 Y N -2.377 117.919 120.300 -0.006 0.000 4.668 585 Y HA -0.219 4.332 4.550 0.002 0.000 0.234 585 Y C 1.415 177.309 175.900 -0.009 0.000 1.056 585 Y CA 1.116 59.215 58.100 -0.003 0.000 2.025 585 Y CB -2.108 36.369 38.460 0.029 0.000 1.613 585 Y HN 0.537 nan 8.280 nan 0.000 0.653 586 Q N -0.042 119.765 119.800 0.011 0.000 2.112 586 Q HA 0.507 4.848 4.340 0.002 0.000 0.222 586 Q C 0.922 176.785 176.000 -0.229 0.000 0.798 586 Q CA 0.217 56.027 55.803 0.010 0.000 1.060 586 Q CB 1.599 30.347 28.738 0.017 0.000 1.184 586 Q HN 0.574 nan 8.270 nan 0.000 0.475 587 G N 0.737 109.269 108.800 -0.447 0.000 2.663 587 G HA2 -0.182 3.779 3.960 0.002 0.000 0.686 587 G HA3 -0.182 3.779 3.960 0.002 0.000 0.686 587 G C -0.476 174.044 174.900 -0.634 0.000 1.246 587 G CA -0.549 44.004 45.100 -0.911 0.000 0.795 587 G HN 0.123 nan 8.290 nan 0.000 0.627 588 D N -0.053 119.939 120.400 -0.681 0.000 2.224 588 D HA -0.047 4.594 4.640 0.002 0.000 0.205 588 D C 2.208 178.242 176.300 -0.443 0.000 0.965 588 D CA 1.230 54.806 54.000 -0.706 0.000 0.852 588 D CB 0.024 40.339 40.800 -0.809 0.000 0.947 588 D HN 0.607 nan 8.370 nan 0.000 0.494 589 K N 0.563 120.760 120.400 -0.338 0.000 2.103 589 K HA -0.134 4.187 4.320 0.002 0.000 0.207 589 K C 1.997 178.534 176.600 -0.106 0.000 1.048 589 K CA 0.952 57.133 56.287 -0.177 0.000 0.930 589 K CB -0.027 32.386 32.500 -0.144 0.000 0.716 589 K HN 0.115 nan 8.250 nan 0.000 0.444 590 I N 0.224 120.718 120.570 -0.127 0.000 2.296 590 I HA -0.204 3.967 4.170 0.002 0.000 0.242 590 I C 2.637 178.754 176.117 0.000 0.000 1.087 590 I CA 0.765 62.062 61.300 -0.005 0.000 1.393 590 I CB -0.120 37.885 38.000 0.009 0.000 1.093 590 I HN 0.273 nan 8.210 nan 0.000 0.421 591 M N 0.202 119.733 119.600 -0.116 0.000 2.117 591 M HA -0.257 4.224 4.480 0.002 0.000 0.262 591 M C 1.926 178.273 176.300 0.079 0.000 1.065 591 M CA 2.041 57.300 55.300 -0.069 0.000 1.114 591 M CB -0.354 32.108 32.600 -0.230 0.000 1.361 591 M HN 0.269 nan 8.290 nan 0.000 0.408 592 H N -0.700 118.271 119.070 -0.165 0.000 2.547 592 H HA 0.158 4.715 4.556 0.002 0.000 0.266 592 H C 1.855 177.198 175.328 0.026 0.000 0.988 592 H CA 0.087 56.042 56.048 -0.156 0.000 1.147 592 H CB 0.139 29.717 29.762 -0.307 0.000 1.365 592 H HN 0.543 nan 8.280 nan 0.000 0.589 593 A N 1.536 124.461 122.820 0.176 0.000 2.024 593 A HA -0.142 4.179 4.320 0.002 0.000 0.220 593 A C 2.039 179.828 177.584 0.341 0.000 1.164 593 A CA 1.150 53.311 52.037 0.206 0.000 0.643 593 A CB -0.640 18.446 19.000 0.144 0.000 0.806 593 A HN 0.576 nan 8.150 nan 0.000 0.451 594 I N -3.130 117.613 120.570 0.288 0.000 3.855 594 I HA 0.164 4.335 4.170 0.002 0.000 0.327 594 I C 0.374 176.578 176.117 0.144 0.000 1.359 594 I CA -0.507 60.918 61.300 0.210 0.000 1.142 594 I CB -0.604 37.486 38.000 0.151 0.000 1.041 594 I HN 0.197 nan 8.210 nan 0.000 0.403 595 N N 3.032 121.856 118.700 0.207 0.000 2.357 595 N HA -0.077 4.664 4.740 0.002 0.000 0.257 595 N C 0.238 175.773 175.510 0.042 0.000 1.250 595 N CA 0.336 53.502 53.050 0.193 0.000 0.862 595 N CB 0.357 38.910 38.487 0.110 0.000 1.066 595 N HN 0.409 nan 8.380 nan 0.000 0.468 596 R N 0.673 121.180 120.500 0.010 0.000 4.000 596 R HA -0.167 4.174 4.340 0.002 0.000 0.348 596 R C -0.344 175.824 176.300 -0.220 0.000 1.204 596 R CA 0.847 56.905 56.100 -0.071 0.000 0.987 596 R CB -0.775 29.498 30.300 -0.045 0.000 1.446 596 R HN 0.641 nan 8.270 nan 0.000 0.555 597 R N 0.492 120.853 120.500 -0.230 0.000 2.647 597 R HA 0.263 4.604 4.340 0.002 0.000 0.295 597 R C -0.259 176.002 176.300 -0.065 0.000 1.267 597 R CA -0.281 55.538 56.100 -0.467 0.000 1.386 597 R CB 0.377 30.377 30.300 -0.500 0.000 1.309 597 R HN 0.096 nan 8.270 nan 0.000 0.692 598 L N -0.185 121.085 121.223 0.078 0.000 2.467 598 L HA 0.184 4.525 4.340 0.002 0.000 0.270 598 L C 1.383 178.497 176.870 0.405 0.000 1.205 598 L CA 0.883 55.809 54.840 0.143 0.000 0.828 598 L CB 0.415 42.354 42.059 -0.200 0.000 1.101 598 L HN 0.705 nan 8.230 nan 0.000 0.479 599 G N 0.688 109.757 108.800 0.448 0.000 2.147 599 G HA2 -0.283 3.678 3.960 0.002 0.000 0.244 599 G HA3 -0.283 3.678 3.960 0.002 0.000 0.244 599 G C 0.412 175.397 174.900 0.141 0.000 1.005 599 G CA 0.566 45.871 45.100 0.341 0.000 0.713 599 G HN 0.861 nan 8.290 nan 0.000 0.515 600 T N -3.611 110.985 114.554 0.070 0.000 2.995 600 T HA 0.475 4.827 4.350 0.002 0.000 0.170 600 T C 1.620 176.300 174.700 -0.032 0.000 0.844 600 T CA 0.869 62.911 62.100 -0.097 0.000 1.137 600 T CB -0.045 68.582 68.868 -0.401 0.000 2.193 600 T HN 0.168 nan 8.240 nan 0.000 0.384 601 F N 3.491 123.479 119.950 0.064 0.000 2.202 601 F HA 0.050 4.578 4.527 0.002 0.000 0.301 601 F C 2.775 178.603 175.800 0.047 0.000 1.082 601 F CA 1.224 59.249 58.000 0.041 0.000 1.313 601 F CB -0.721 38.299 39.000 0.034 0.000 1.024 601 F HN 0.544 nan 8.300 nan 0.000 0.495 602 E N 1.076 121.422 120.200 0.243 0.000 2.204 602 E HA -0.135 4.216 4.350 0.002 0.000 0.194 602 E C 2.230 178.929 176.600 0.166 0.000 0.989 602 E CA 1.576 58.092 56.400 0.193 0.000 0.824 602 E CB -1.060 28.754 29.700 0.189 0.000 0.756 602 E HN 0.376 nan 8.360 nan 0.000 0.477 603 V N 0.217 120.205 119.914 0.123 0.000 2.500 603 V HA -0.076 4.045 4.120 0.002 0.000 0.243 603 V C 1.961 178.090 176.094 0.059 0.000 1.039 603 V CA 1.542 63.873 62.300 0.053 0.000 1.053 603 V CB -0.265 31.532 31.823 -0.045 0.000 0.695 603 V HN 0.080 nan 8.190 nan 0.000 0.463 604 E N 0.367 120.617 120.200 0.083 0.000 2.118 604 E HA -0.229 4.122 4.350 0.002 0.000 0.195 604 E C 1.897 178.534 176.600 0.061 0.000 0.992 604 E CA 1.769 58.217 56.400 0.080 0.000 0.804 604 E CB -0.198 29.583 29.700 0.135 0.000 0.741 604 E HN 0.652 nan 8.360 nan 0.000 0.458 605 D N 0.258 120.712 120.400 0.090 0.000 2.219 605 D HA -0.118 4.523 4.640 0.002 0.000 0.205 605 D C 1.943 178.267 176.300 0.040 0.000 0.970 605 D CA 0.695 54.736 54.000 0.069 0.000 0.851 605 D CB -0.057 40.829 40.800 0.144 0.000 0.943 605 D HN 0.116 nan 8.370 nan 0.000 0.488 606 Q N 0.146 120.017 119.800 0.119 0.000 2.119 606 Q HA -0.012 4.329 4.340 0.002 0.000 0.201 606 Q C 2.530 178.572 176.000 0.069 0.000 0.972 606 Q CA 0.467 56.343 55.803 0.121 0.000 0.847 606 Q CB -0.003 28.822 28.738 0.146 0.000 0.903 606 Q HN 0.426 nan 8.270 nan 0.000 0.433 607 I N 0.678 121.303 120.570 0.090 0.000 2.202 607 I HA -0.251 3.920 4.170 0.002 0.000 0.242 607 I C 2.405 178.488 176.117 -0.056 0.000 1.091 607 I CA 1.166 62.564 61.300 0.163 0.000 1.368 607 I CB -0.234 37.844 38.000 0.130 0.000 1.058 607 I HN 0.136 nan 8.210 nan 0.000 0.410 608 E N 1.622 121.738 120.200 -0.140 0.000 2.118 608 E HA -0.215 4.136 4.350 0.002 0.000 0.195 608 E C 2.072 178.388 176.600 -0.474 0.000 0.992 608 E CA 1.769 58.022 56.400 -0.245 0.000 0.804 608 E CB -0.188 29.390 29.700 -0.203 0.000 0.741 608 E HN 0.420 nan 8.360 nan 0.000 0.458 609 A N 0.830 123.214 122.820 -0.726 0.000 1.877 609 A HA -0.044 4.277 4.320 0.002 0.000 0.216 609 A C 2.486 179.333 177.584 -1.229 0.000 1.186 609 A CA 2.244 53.499 52.037 -1.302 0.000 0.620 609 A CB -1.145 16.800 19.000 -1.759 0.000 0.822 609 A HN 0.397 nan 8.150 nan 0.000 0.443 610 A N -0.595 121.879 122.820 -0.577 0.000 1.940 610 A HA -0.186 4.135 4.320 0.002 0.000 0.219 610 A C 2.258 179.645 177.584 -0.328 0.000 1.176 610 A CA 1.658 53.526 52.037 -0.281 0.000 0.631 610 A CB -0.499 18.416 19.000 -0.142 0.000 0.814 610 A HN 0.529 nan 8.150 nan 0.000 0.446 611 R N -0.691 119.606 120.500 -0.340 0.000 2.091 611 R HA -0.153 4.188 4.340 0.002 0.000 0.238 611 R C 2.470 178.611 176.300 -0.267 0.000 1.136 611 R CA 1.798 57.738 56.100 -0.266 0.000 0.959 611 R CB -0.244 29.925 30.300 -0.217 0.000 0.856 611 R HN 0.700 nan 8.270 nan 0.000 0.437 612 Q N -0.839 118.736 119.800 -0.375 0.000 2.172 612 Q HA -0.117 4.224 4.340 0.002 0.000 0.200 612 Q C 1.901 177.768 176.000 -0.220 0.000 0.964 612 Q CA 0.993 56.607 55.803 -0.315 0.000 0.855 612 Q CB -0.009 28.502 28.738 -0.379 0.000 0.918 612 Q HN 0.261 nan 8.270 nan 0.000 0.444 613 F N 1.428 121.210 119.950 -0.281 0.000 2.102 613 F HA -0.157 4.371 4.527 0.002 0.000 0.298 613 F C 2.696 178.317 175.800 -0.299 0.000 1.105 613 F CA 1.355 59.179 58.000 -0.293 0.000 1.239 613 F CB -1.264 37.602 39.000 -0.223 0.000 0.991 613 F HN 0.056 nan 8.300 nan 0.000 0.474 614 S N -0.817 114.851 115.700 -0.053 0.000 2.584 614 S HA -0.096 4.375 4.470 0.002 0.000 0.240 614 S C 1.355 175.863 174.600 -0.153 0.000 0.975 614 S CA 0.723 58.851 58.200 -0.119 0.000 0.949 614 S CB -0.381 62.737 63.200 -0.136 0.000 0.761 614 S HN 0.236 nan 8.310 nan 0.000 0.536 615 K N 0.019 120.319 120.400 -0.166 0.000 2.413 615 K HA 0.396 4.717 4.320 0.002 0.000 0.204 615 K C 0.825 177.312 176.600 -0.188 0.000 1.041 615 K CA 0.001 56.194 56.287 -0.157 0.000 1.082 615 K CB 0.094 32.517 32.500 -0.129 0.000 0.871 615 K HN 0.474 nan 8.250 nan 0.000 0.535 616 M N -0.743 118.674 119.600 -0.305 0.000 2.558 616 M HA 0.018 4.499 4.480 0.002 0.000 0.255 616 M C 1.156 177.215 176.300 -0.402 0.000 1.113 616 M CA 1.114 56.184 55.300 -0.383 0.000 1.097 616 M CB 0.306 32.538 32.600 -0.612 0.000 1.426 616 M HN 0.381 nan 8.290 nan 0.000 0.488 617 G N 0.669 109.244 108.800 -0.374 0.000 2.313 617 G HA2 -0.270 3.691 3.960 0.002 0.000 0.215 617 G HA3 -0.270 3.691 3.960 0.002 0.000 0.215 617 G C 0.459 175.307 174.900 -0.087 0.000 1.023 617 G CA 0.134 45.128 45.100 -0.176 0.000 0.626 617 G HN 0.528 nan 8.290 nan 0.000 0.503 618 F N 1.107 121.110 119.950 0.088 0.000 2.639 618 F HA 0.791 5.319 4.527 0.002 0.000 0.300 618 F C 0.070 175.985 175.800 0.191 0.000 1.109 618 F CA -1.320 56.769 58.000 0.149 0.000 1.335 618 F CB 0.160 39.307 39.000 0.245 0.000 1.014 618 F HN 0.092 nan 8.300 nan 0.000 0.537 619 V N 1.115 121.025 119.914 -0.007 0.000 2.540 619 V HA 0.235 4.356 4.120 0.002 0.000 0.302 619 V C -0.821 175.256 176.094 -0.027 0.000 1.035 619 V CA -0.814 61.504 62.300 0.030 0.000 0.873 619 V CB 1.805 33.587 31.823 -0.067 0.000 0.992 619 V HN 0.071 nan 8.190 nan 0.000 0.428 620 D N 3.558 123.940 120.400 -0.031 0.000 2.374 620 D HA 0.072 4.713 4.640 0.002 0.000 0.240 620 D C 1.133 177.380 176.300 -0.088 0.000 1.229 620 D CA -0.295 53.661 54.000 -0.073 0.000 0.895 620 D CB 0.703 41.440 40.800 -0.104 0.000 1.046 620 D HN 0.645 nan 8.370 nan 0.000 0.498 621 N N 3.178 121.827 118.700 -0.084 0.000 2.609 621 N HA -0.154 4.587 4.740 0.002 0.000 0.190 621 N C 0.762 176.224 175.510 -0.079 0.000 1.157 621 N CA 0.768 53.761 53.050 -0.095 0.000 0.918 621 N CB -0.078 38.349 38.487 -0.099 0.000 0.978 621 N HN 0.365 nan 8.380 nan 0.000 0.448 622 K N -0.349 120.013 120.400 -0.063 0.000 2.379 622 K HA 0.192 4.513 4.320 0.002 0.000 0.194 622 K C 0.133 176.729 176.600 -0.006 0.000 1.031 622 K CA 0.159 56.426 56.287 -0.033 0.000 1.037 622 K CB 0.443 32.927 32.500 -0.028 0.000 0.824 622 K HN 0.142 nan 8.250 nan 0.000 0.516 623 R N 1.267 121.735 120.500 -0.053 0.000 2.681 623 R HA 0.355 4.696 4.340 0.002 0.000 0.277 623 R C -1.021 175.227 176.300 -0.087 0.000 1.563 623 R CA -0.128 55.934 56.100 -0.064 0.000 1.673 623 R CB 0.619 30.725 30.300 -0.323 0.000 1.258 623 R HN -0.013 nan 8.270 nan 0.000 0.650 624 I N 1.143 121.784 120.570 0.118 0.000 2.406 624 I HA 0.555 4.726 4.170 0.002 0.000 0.290 624 I C -0.011 176.377 176.117 0.451 0.000 0.999 624 I CA -0.709 60.694 61.300 0.172 0.000 1.124 624 I CB 1.929 39.870 38.000 -0.098 0.000 1.289 624 I HN 0.320 nan 8.210 nan 0.000 0.441 625 A N 7.014 130.223 122.820 0.649 0.000 2.387 625 A HA 0.940 5.261 4.320 0.002 0.000 0.298 625 A C -1.137 176.828 177.584 0.635 0.000 1.165 625 A CA -0.665 51.745 52.037 0.622 0.000 0.814 625 A CB 2.119 21.367 19.000 0.412 0.000 1.357 625 A HN 0.730 nan 8.150 nan 0.000 0.443 626 I N 0.163 121.009 120.570 0.460 0.000 2.752 626 I HA 0.687 4.858 4.170 0.002 0.000 0.295 626 I C -2.034 174.334 176.117 0.418 0.000 1.219 626 I CA -0.538 60.959 61.300 0.329 0.000 1.030 626 I CB 1.673 39.588 38.000 -0.143 0.000 1.259 626 I HN 0.950 nan 8.210 nan 0.000 0.423 627 W N 7.026 128.456 121.300 0.216 0.000 3.213 627 W HA 0.855 5.516 4.660 0.002 0.000 0.318 627 W C -1.464 175.207 176.519 0.253 0.000 1.248 627 W CA -0.969 56.514 57.345 0.229 0.000 1.187 627 W CB 1.078 30.724 29.460 0.309 0.000 1.403 627 W HN 0.844 nan 8.180 nan 0.000 0.556 628 G N 0.894 109.625 108.800 -0.115 0.000 2.601 628 G HA2 0.490 4.451 3.960 0.002 0.000 0.291 628 G HA3 0.490 4.451 3.960 0.002 0.000 0.291 628 G C -2.823 172.036 174.900 -0.068 0.000 1.456 628 G CA -0.729 44.163 45.100 -0.346 0.000 0.804 628 G HN 0.592 nan 8.290 nan 0.000 0.499 629 W N 1.115 122.313 121.300 -0.169 0.000 2.656 629 W HA 0.576 5.237 4.660 0.001 0.000 0.327 629 W C 0.780 177.374 176.519 0.124 0.000 1.041 629 W CA 0.307 57.647 57.345 -0.009 0.000 1.229 629 W CB 1.776 31.233 29.460 -0.005 0.000 1.397 629 W HN 1.279 nan 8.180 nan 0.000 0.479 630 S N 3.404 119.366 115.700 0.437 0.000 4.151 630 S HA -0.433 4.038 4.470 0.002 0.000 0.603 630 S C 1.190 175.892 174.600 0.170 0.000 1.878 630 S CA 1.896 60.337 58.200 0.402 0.000 4.246 630 S CB -1.863 61.752 63.200 0.692 0.000 0.211 630 S HN 0.717 nan 8.310 nan 0.000 0.469 631 Y N 2.538 122.858 120.300 0.033 0.000 2.207 631 Y HA 0.041 4.591 4.550 0.002 0.000 0.287 631 Y C 2.441 178.289 175.900 -0.086 0.000 1.156 631 Y CA 2.633 60.647 58.100 -0.144 0.000 1.182 631 Y CB -1.021 37.096 38.460 -0.571 0.000 0.979 631 Y HN 0.539 nan 8.280 nan 0.000 0.521 632 G N -1.233 107.638 108.800 0.120 0.000 2.443 632 G HA2 -0.184 3.777 3.960 0.002 0.000 0.219 632 G HA3 -0.184 3.777 3.960 0.002 0.000 0.219 632 G C 1.889 176.831 174.900 0.070 0.000 1.131 632 G CA 0.676 45.848 45.100 0.121 0.000 0.775 632 G HN 0.564 nan 8.290 nan 0.000 0.547 633 G N -0.297 108.551 108.800 0.081 0.000 2.421 633 G HA2 -0.173 3.788 3.960 0.002 0.000 0.217 633 G HA3 -0.173 3.788 3.960 0.002 0.000 0.217 633 G C 1.559 176.485 174.900 0.043 0.000 1.143 633 G CA 0.980 46.109 45.100 0.048 0.000 0.784 633 G HN 0.406 nan 8.290 nan 0.000 0.541 634 Y N 1.394 121.598 120.300 -0.160 0.000 2.133 634 Y HA -0.078 4.473 4.550 0.002 0.000 0.287 634 Y C 2.726 178.528 175.900 -0.162 0.000 1.134 634 Y CA 1.438 59.388 58.100 -0.251 0.000 1.133 634 Y CB -0.470 37.680 38.460 -0.517 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.502 635 V N -0.227 119.557 119.914 -0.217 0.000 2.343 635 V HA -0.321 3.800 4.120 0.002 0.000 0.247 635 V C 2.322 178.300 176.094 -0.193 0.000 1.051 635 V CA 2.425 64.588 62.300 -0.228 0.000 1.036 635 V CB -1.184 30.651 31.823 0.021 0.000 0.654 635 V HN 0.487 nan 8.190 nan 0.000 0.451 636 T N -0.168 114.330 114.554 -0.094 0.000 2.684 636 T HA -0.192 4.159 4.350 0.002 0.000 0.267 636 T C 2.138 176.783 174.700 -0.092 0.000 1.036 636 T CA 2.000 64.057 62.100 -0.072 0.000 1.148 636 T CB -0.254 68.651 68.868 0.062 0.000 0.863 636 T HN 0.524 nan 8.240 nan 0.000 0.436 637 S N 0.974 116.652 115.700 -0.036 0.000 2.368 637 S HA -0.000 4.471 4.470 0.002 0.000 0.224 637 S C 2.110 176.627 174.600 -0.137 0.000 1.029 637 S CA 0.865 59.071 58.200 0.010 0.000 0.988 637 S CB -0.248 63.009 63.200 0.096 0.000 0.838 637 S HN 0.305 nan 8.310 nan 0.000 0.462 638 M N 0.922 120.347 119.600 -0.291 0.000 2.175 638 M HA -0.004 4.477 4.480 0.002 0.000 0.264 638 M C 2.175 178.313 176.300 -0.269 0.000 1.063 638 M CA 1.022 56.129 55.300 -0.321 0.000 1.119 638 M CB -1.380 30.919 32.600 -0.502 0.000 1.377 638 M HN 0.172 nan 8.290 nan 0.000 0.415 639 V N 0.466 120.210 119.914 -0.283 0.000 2.307 639 V HA -0.222 3.899 4.120 0.002 0.000 0.245 639 V C 2.487 178.383 176.094 -0.329 0.000 1.045 639 V CA 1.284 63.414 62.300 -0.284 0.000 1.024 639 V CB -0.598 30.979 31.823 -0.409 0.000 0.651 639 V HN 0.393 nan 8.190 nan 0.000 0.449 640 L N 0.413 121.376 121.223 -0.434 0.000 2.191 640 L HA -0.067 4.274 4.340 0.002 0.000 0.212 640 L C 2.141 178.449 176.870 -0.937 0.000 1.103 640 L CA 1.488 55.968 54.840 -0.599 0.000 0.769 640 L CB -0.660 41.002 42.059 -0.660 0.000 0.908 640 L HN 0.497 nan 8.230 nan 0.000 0.438 641 G N -1.542 106.747 108.800 -0.852 0.000 3.337 641 G HA2 -0.024 3.937 3.960 0.002 0.000 0.246 641 G HA3 -0.024 3.937 3.960 0.002 0.000 0.246 641 G C 1.442 176.190 174.900 -0.254 0.000 1.131 641 G CA 0.538 45.259 45.100 -0.631 0.000 0.773 641 G HN 0.406 nan 8.290 nan 0.000 0.544 642 S N -0.569 115.000 115.700 -0.218 0.000 2.489 642 S HA 0.280 4.751 4.470 0.002 0.000 0.228 642 S C 1.992 176.546 174.600 -0.076 0.000 0.995 642 S CA 1.060 59.193 58.200 -0.112 0.000 0.934 642 S CB -0.148 63.005 63.200 -0.080 0.000 0.771 642 S HN 1.368 nan 8.310 nan 0.000 0.522 643 G N 1.321 110.063 108.800 -0.096 0.000 2.143 643 G HA2 -0.352 3.609 3.960 0.002 0.000 0.248 643 G HA3 -0.352 3.609 3.960 0.002 0.000 0.248 643 G C 1.011 175.896 174.900 -0.024 0.000 0.991 643 G CA 1.015 46.082 45.100 -0.055 0.000 0.689 643 G HN 1.277 nan 8.290 nan 0.000 0.522 644 S N -0.509 115.186 115.700 -0.008 0.000 2.402 644 S HA 0.268 4.739 4.470 0.002 0.000 0.229 644 S C 2.631 177.237 174.600 0.010 0.000 1.021 644 S CA 1.815 60.025 58.200 0.016 0.000 0.974 644 S CB -0.370 62.868 63.200 0.064 0.000 0.800 644 S HN 2.434 nan 8.310 nan 0.000 0.484 645 G N -0.018 108.796 108.800 0.023 0.000 2.184 645 G HA2 -0.297 3.664 3.960 0.002 0.000 0.264 645 G HA3 -0.297 3.664 3.960 0.002 0.000 0.264 645 G C 0.801 175.695 174.900 -0.010 0.000 0.975 645 G CA 0.461 45.568 45.100 0.012 0.000 0.642 645 G HN 0.758 nan 8.290 nan 0.000 0.536 646 V N -0.489 119.405 119.914 -0.033 0.000 2.515 646 V HA 0.182 4.303 4.120 0.002 0.000 0.250 646 V C 1.249 177.093 176.094 -0.418 0.000 1.058 646 V CA 1.566 63.708 62.300 -0.262 0.000 1.064 646 V CB -0.442 31.128 31.823 -0.422 0.000 0.675 646 V HN 0.327 nan 8.190 nan 0.000 0.461 647 F N -0.200 119.761 119.950 0.019 0.000 2.421 647 F HA 0.408 4.936 4.527 0.002 0.000 0.337 647 F C 1.078 176.920 175.800 0.071 0.000 1.105 647 F CA -0.711 57.328 58.000 0.065 0.000 1.049 647 F CB 1.380 40.423 39.000 0.071 0.000 1.139 647 F HN -0.265 nan 8.300 nan 0.000 0.479 648 K N 1.541 122.094 120.400 0.256 0.000 2.137 648 K HA 0.098 4.419 4.320 0.002 0.000 0.202 648 K C -0.069 176.661 176.600 0.217 0.000 1.052 648 K CA 0.937 57.342 56.287 0.197 0.000 0.961 648 K CB 0.245 32.860 32.500 0.191 0.000 0.741 648 K HN 0.807 nan 8.250 nan 0.000 0.452 649 c N -2.759 116.010 118.600 0.281 0.000 3.318 649 c HA 0.908 5.479 4.570 0.002 0.000 0.322 649 c C -0.225 174.097 174.090 0.386 0.000 1.398 649 c CA -0.587 55.929 56.329 0.312 0.000 1.339 649 c CB 1.115 43.730 42.510 0.176 0.000 1.668 649 c HN 0.353 nan 8.230 nan 0.000 0.462 650 G N -0.061 109.034 108.800 0.491 0.000 2.632 650 G HA2 0.699 4.660 3.960 0.002 0.000 0.292 650 G HA3 0.699 4.660 3.960 0.002 0.000 0.292 650 G C -2.008 173.124 174.900 0.387 0.000 1.465 650 G CA -0.683 44.674 45.100 0.429 0.000 0.824 650 G HN 1.005 nan 8.290 nan 0.000 0.509 651 I N 0.716 121.478 120.570 0.321 0.000 2.466 651 I HA 0.620 4.791 4.170 0.002 0.000 0.289 651 I C 0.140 176.372 176.117 0.191 0.000 1.026 651 I CA -0.984 60.386 61.300 0.116 0.000 1.078 651 I CB 2.252 40.314 38.000 0.104 0.000 1.249 651 I HN 0.660 nan 8.210 nan 0.000 0.429 652 A N 6.531 129.353 122.820 0.004 0.000 2.304 652 A HA 0.784 5.105 4.320 0.002 0.000 0.314 652 A C -0.744 176.748 177.584 -0.153 0.000 1.187 652 A CA -0.510 51.539 52.037 0.020 0.000 0.810 652 A CB 1.109 20.184 19.000 0.125 0.000 1.183 652 A HN 0.443 nan 8.150 nan 0.000 0.487 653 V N 2.043 121.819 119.914 -0.229 0.000 2.417 653 V HA 0.582 4.703 4.120 0.002 0.000 0.291 653 V C 0.964 176.655 176.094 -0.672 0.000 1.024 653 V CA 0.263 62.206 62.300 -0.596 0.000 0.861 653 V CB 0.883 32.048 31.823 -1.096 0.000 0.985 653 V HN 2.087 nan 8.190 nan 0.000 0.436 654 A N 5.442 127.825 122.820 -0.728 0.000 2.511 654 A HA -0.107 4.214 4.320 0.002 0.000 0.297 654 A C -1.675 175.731 177.584 -0.296 0.000 1.476 654 A CA 0.505 52.008 52.037 -0.890 0.000 0.757 654 A CB -1.571 17.070 19.000 -0.599 0.000 1.072 654 A HN 0.630 nan 8.150 nan 0.000 0.413 655 P HA 0.435 nan 4.420 nan 0.000 0.276 655 P C 0.101 177.365 177.300 -0.060 0.000 1.244 655 P CA -0.243 62.827 63.100 -0.051 0.000 0.801 655 P CB 1.355 33.053 31.700 -0.003 0.000 1.006 656 V N 1.978 121.768 119.914 -0.206 0.000 2.607 656 V HA 0.120 4.241 4.120 0.002 0.000 0.289 656 V C 1.661 177.564 176.094 -0.319 0.000 1.053 656 V CA 0.736 62.773 62.300 -0.438 0.000 0.996 656 V CB 0.965 32.130 31.823 -1.097 0.000 0.995 656 V HN 0.831 nan 8.190 nan 0.000 0.476 657 S N 3.637 119.183 115.700 -0.256 0.000 2.554 657 S HA 0.255 4.726 4.470 0.002 0.000 0.227 657 S C 0.428 174.866 174.600 -0.271 0.000 1.050 657 S CA -0.356 57.766 58.200 -0.131 0.000 0.927 657 S CB 0.313 63.505 63.200 -0.012 0.000 0.859 657 S HN 0.847 nan 8.310 nan 0.000 0.494 658 R N -1.209 118.997 120.500 -0.490 0.000 2.536 658 R HA 0.437 4.778 4.340 0.002 0.000 0.269 658 R C -0.953 174.998 176.300 -0.581 0.000 1.113 658 R CA -0.860 54.894 56.100 -0.576 0.000 0.948 658 R CB -0.282 29.643 30.300 -0.625 0.000 1.237 658 R HN 0.117 nan 8.270 nan 0.000 0.441 659 W N 1.573 122.770 121.300 -0.172 0.000 2.364 659 W HA -0.052 4.609 4.660 0.002 0.000 0.281 659 W C 1.102 177.743 176.519 0.205 0.000 1.219 659 W CA 0.975 58.316 57.345 -0.007 0.000 1.220 659 W CB 0.205 29.584 29.460 -0.135 0.000 1.127 659 W HN 0.719 nan 8.180 nan 0.000 0.556 660 E N -0.965 119.403 120.200 0.280 0.000 2.409 660 E HA -0.188 4.163 4.350 0.002 0.000 0.198 660 E C 1.243 177.986 176.600 0.239 0.000 1.024 660 E CA 0.744 57.262 56.400 0.197 0.000 0.861 660 E CB -0.230 29.477 29.700 0.011 0.000 0.788 660 E HN 0.385 nan 8.360 nan 0.000 0.521 661 Y N -1.399 118.995 120.300 0.157 0.000 2.517 661 Y HA 0.053 4.604 4.550 0.002 0.000 0.281 661 Y C 0.721 176.719 175.900 0.165 0.000 1.125 661 Y CA -0.291 57.871 58.100 0.103 0.000 1.283 661 Y CB -0.408 38.059 38.460 0.012 0.000 1.042 661 Y HN 0.017 nan 8.280 nan 0.000 0.547 662 Y N 1.930 122.394 120.300 0.273 0.000 2.392 662 Y HA 0.288 4.839 4.550 0.002 0.000 0.323 662 Y C 0.337 176.465 175.900 0.380 0.000 1.291 662 Y CA -2.147 56.128 58.100 0.291 0.000 1.345 662 Y CB 0.362 39.030 38.460 0.347 0.000 1.320 662 Y HN 0.187 nan 8.280 nan 0.000 0.518 663 D N -0.387 119.671 120.400 -0.570 0.000 2.400 663 D HA 0.054 4.695 4.640 0.002 0.000 0.238 663 D C 0.948 177.222 176.300 -0.044 0.000 1.157 663 D CA 0.474 54.246 54.000 -0.380 0.000 0.889 663 D CB 0.827 41.207 40.800 -0.700 0.000 1.199 663 D HN 0.488 nan 8.370 nan 0.000 0.436 664 S N 1.196 116.883 115.700 -0.021 0.000 2.348 664 S HA -0.214 4.257 4.470 0.002 0.000 0.221 664 S C 1.953 176.577 174.600 0.040 0.000 1.033 664 S CA 1.126 59.366 58.200 0.067 0.000 1.010 664 S CB -1.006 62.241 63.200 0.079 0.000 0.891 664 S HN 0.430 nan 8.310 nan 0.000 0.442 665 V N 0.912 120.784 119.914 -0.069 0.000 2.282 665 V HA -0.196 3.925 4.120 0.002 0.000 0.249 665 V C 2.314 178.322 176.094 -0.144 0.000 1.057 665 V CA 2.333 64.497 62.300 -0.227 0.000 1.032 665 V CB -1.078 30.456 31.823 -0.481 0.000 0.645 665 V HN 0.615 nan 8.190 nan 0.000 0.447 666 Y N 1.223 121.472 120.300 -0.086 0.000 2.130 666 Y HA -0.204 4.347 4.550 0.002 0.000 0.287 666 Y C 2.744 178.668 175.900 0.040 0.000 1.124 666 Y CA 2.268 60.398 58.100 0.051 0.000 1.118 666 Y CB -0.629 38.056 38.460 0.376 0.000 0.994 666 Y HN 0.217 nan 8.280 nan 0.000 0.497 667 T N 0.469 115.248 114.554 0.374 0.000 2.652 667 T HA -0.228 4.123 4.350 0.002 0.000 0.267 667 T C 1.566 176.230 174.700 -0.061 0.000 1.039 667 T CA 2.054 64.281 62.100 0.212 0.000 1.153 667 T CB -0.368 68.780 68.868 0.467 0.000 0.863 667 T HN 0.441 nan 8.240 nan 0.000 0.428 668 E N 0.430 120.629 120.200 -0.001 0.000 2.204 668 E HA -0.082 4.269 4.350 0.002 0.000 0.194 668 E C 2.343 178.812 176.600 -0.219 0.000 0.989 668 E CA 0.443 56.831 56.400 -0.021 0.000 0.824 668 E CB -0.123 29.614 29.700 0.062 0.000 0.756 668 E HN 0.322 nan 8.360 nan 0.000 0.477 669 R N -0.061 120.145 120.500 -0.489 0.000 2.127 669 R HA -0.190 4.151 4.340 0.002 0.000 0.238 669 R C 1.135 176.873 176.300 -0.937 0.000 1.134 669 R CA 1.570 57.189 56.100 -0.802 0.000 0.975 669 R CB 0.039 29.543 30.300 -1.327 0.000 0.865 669 R HN 0.256 nan 8.270 nan 0.000 0.447 670 Y N -2.646 117.339 120.300 -0.526 0.000 2.498 670 Y HA 0.225 4.776 4.550 0.002 0.000 0.259 670 Y C 1.667 177.382 175.900 -0.309 0.000 1.086 670 Y CA -0.081 57.718 58.100 -0.502 0.000 1.287 670 Y CB 0.407 38.429 38.460 -0.730 0.000 1.146 670 Y HN -0.061 nan 8.280 nan 0.000 0.523 671 M N -0.250 119.238 119.600 -0.187 0.000 2.337 671 M HA 0.366 4.847 4.480 0.002 0.000 0.256 671 M C 1.103 177.428 176.300 0.041 0.000 1.075 671 M CA 0.827 56.020 55.300 -0.177 0.000 1.024 671 M CB -0.386 31.906 32.600 -0.513 0.000 1.429 671 M HN 0.365 nan 8.290 nan 0.000 0.497 672 G N 1.777 110.610 108.800 0.054 0.000 2.598 672 G HA2 -0.210 3.751 3.960 0.002 0.000 0.244 672 G HA3 -0.210 3.751 3.960 0.002 0.000 0.244 672 G C -0.813 174.221 174.900 0.223 0.000 1.302 672 G CA -0.805 44.362 45.100 0.112 0.000 0.903 672 G HN 0.240 nan 8.290 nan 0.000 0.575 673 L N 2.603 123.924 121.223 0.163 0.000 2.325 673 L HA 0.535 4.876 4.340 0.002 0.000 0.279 673 L C -1.320 175.540 176.870 -0.017 0.000 1.054 673 L CA -1.925 52.962 54.840 0.079 0.000 0.804 673 L CB 1.278 43.350 42.059 0.022 0.000 1.200 673 L HN 0.435 nan 8.230 nan 0.000 0.436 674 P HA 0.100 nan 4.420 nan 0.000 0.218 674 P C -0.697 176.456 177.300 -0.245 0.000 1.793 674 P CA -0.151 62.551 63.100 -0.665 0.000 0.941 674 P CB -0.425 30.589 31.700 -1.142 0.000 1.919 675 T N -2.901 111.596 114.554 -0.095 0.000 2.908 675 T HA 0.477 4.828 4.350 0.002 0.000 0.290 675 T C -2.311 172.387 174.700 -0.003 0.000 1.034 675 T CA -2.495 59.579 62.100 -0.044 0.000 1.010 675 T CB 1.908 70.760 68.868 -0.026 0.000 1.068 675 T HN -0.299 nan 8.240 nan 0.000 0.481 676 P HA -0.053 nan 4.420 nan 0.000 0.218 676 P C 0.919 178.231 177.300 0.021 0.000 1.148 676 P CA 1.016 64.125 63.100 0.015 0.000 0.822 676 P CB 0.068 31.773 31.700 0.009 0.000 0.784 677 E N -1.414 118.795 120.200 0.014 0.000 2.274 677 E HA -0.095 4.256 4.350 0.002 0.000 0.194 677 E C 1.408 178.022 176.600 0.024 0.000 0.996 677 E CA 0.823 57.232 56.400 0.015 0.000 0.840 677 E CB -0.394 29.310 29.700 0.007 0.000 0.772 677 E HN 0.307 nan 8.360 nan 0.000 0.491 678 D N -0.494 119.927 120.400 0.034 0.000 2.931 678 D HA 0.095 4.736 4.640 0.002 0.000 0.241 678 D C 0.349 176.701 176.300 0.088 0.000 1.494 678 D CA 0.180 54.212 54.000 0.053 0.000 1.260 678 D CB -0.027 40.806 40.800 0.055 0.000 0.953 678 D HN 0.013 nan 8.370 nan 0.000 0.240 679 N N -0.033 118.752 118.700 0.142 0.000 2.299 679 N HA 0.044 4.785 4.740 0.002 0.000 0.246 679 N C 1.291 176.997 175.510 0.326 0.000 1.254 679 N CA -0.110 53.075 53.050 0.224 0.000 0.879 679 N CB 0.890 39.536 38.487 0.265 0.000 1.214 679 N HN -0.005 nan 8.380 nan 0.000 0.510 680 L N 1.223 122.556 121.223 0.184 0.000 2.043 680 L HA -0.177 4.164 4.340 0.002 0.000 0.212 680 L C 1.413 178.391 176.870 0.180 0.000 1.075 680 L CA 2.014 56.936 54.840 0.138 0.000 0.752 680 L CB -0.399 41.677 42.059 0.028 0.000 0.891 680 L HN 0.145 nan 8.230 nan 0.000 0.432 681 D N -1.470 119.018 120.400 0.148 0.000 2.123 681 D HA -0.255 4.386 4.640 0.002 0.000 0.196 681 D C 2.081 178.476 176.300 0.157 0.000 0.992 681 D CA 1.782 55.858 54.000 0.127 0.000 0.833 681 D CB -0.205 40.658 40.800 0.104 0.000 0.954 681 D HN 0.594 nan 8.370 nan 0.000 0.455 682 H N -1.003 118.133 119.070 0.110 0.000 2.462 682 H HA -0.048 4.509 4.556 0.002 0.000 0.292 682 H C 1.690 177.083 175.328 0.108 0.000 1.049 682 H CA 1.125 57.217 56.048 0.073 0.000 1.334 682 H CB -0.262 29.508 29.762 0.014 0.000 1.404 682 H HN 0.146 nan 8.280 nan 0.000 0.544 683 Y N 0.256 120.552 120.300 -0.008 0.000 2.181 683 Y HA -0.168 4.383 4.550 0.002 0.000 0.288 683 Y C 2.314 178.178 175.900 -0.060 0.000 1.146 683 Y CA 1.416 59.513 58.100 -0.005 0.000 1.164 683 Y CB 0.158 38.646 38.460 0.046 0.000 0.982 683 Y HN 0.124 nan 8.280 nan 0.000 0.515 684 R N -0.328 120.243 120.500 0.119 0.000 2.153 684 R HA -0.047 4.294 4.340 0.002 0.000 0.218 684 R C 1.284 177.575 176.300 -0.015 0.000 1.072 684 R CA 0.867 56.990 56.100 0.038 0.000 0.990 684 R CB -0.699 29.626 30.300 0.042 0.000 0.889 684 R HN 0.358 nan 8.270 nan 0.000 0.452 685 N N 0.095 118.763 118.700 -0.053 0.000 2.422 685 N HA -0.058 4.683 4.740 0.002 0.000 0.181 685 N C 0.394 175.834 175.510 -0.117 0.000 1.080 685 N CA 0.609 53.620 53.050 -0.064 0.000 0.893 685 N CB 0.324 38.805 38.487 -0.011 0.000 0.973 685 N HN 0.100 nan 8.380 nan 0.000 0.456 686 S N -1.083 114.500 115.700 -0.195 0.000 2.537 686 S HA 0.153 4.624 4.470 0.002 0.000 0.246 686 S C 0.397 175.021 174.600 0.040 0.000 1.036 686 S CA -0.767 57.377 58.200 -0.093 0.000 1.041 686 S CB -0.621 62.471 63.200 -0.181 0.000 0.799 686 S HN 0.173 nan 8.310 nan 0.000 0.456 687 T N -1.984 112.559 114.554 -0.019 0.000 2.934 687 T HA 0.543 4.894 4.350 0.002 0.000 0.283 687 T C 1.217 175.908 174.700 -0.016 0.000 1.005 687 T CA -0.665 61.415 62.100 -0.035 0.000 1.041 687 T CB 1.356 70.174 68.868 -0.083 0.000 1.042 687 T HN -0.035 nan 8.240 nan 0.000 0.505 688 V N 1.481 121.383 119.914 -0.020 0.000 2.488 688 V HA -0.072 4.049 4.120 0.002 0.000 0.246 688 V C 2.588 178.648 176.094 -0.057 0.000 1.046 688 V CA 1.300 63.580 62.300 -0.032 0.000 1.053 688 V CB -0.918 30.883 31.823 -0.037 0.000 0.679 688 V HN 0.807 nan 8.190 nan 0.000 0.458 689 M N 1.272 120.826 119.600 -0.077 0.000 2.149 689 M HA -0.165 4.316 4.480 0.002 0.000 0.261 689 M C 2.326 178.592 176.300 -0.057 0.000 1.064 689 M CA 2.156 57.403 55.300 -0.089 0.000 1.102 689 M CB -0.976 31.586 32.600 -0.063 0.000 1.369 689 M HN 0.519 nan 8.290 nan 0.000 0.408 690 S N -0.456 115.224 115.700 -0.034 0.000 2.507 690 S HA -0.064 4.407 4.470 0.002 0.000 0.235 690 S C 1.760 176.361 174.600 0.002 0.000 0.988 690 S CA 0.666 58.856 58.200 -0.017 0.000 0.944 690 S CB -0.395 62.796 63.200 -0.015 0.000 0.762 690 S HN 0.529 nan 8.310 nan 0.000 0.526 691 R N 0.312 120.825 120.500 0.021 0.000 2.393 691 R HA 0.470 4.811 4.340 0.002 0.000 0.244 691 R C 2.160 178.563 176.300 0.171 0.000 0.920 691 R CA 0.422 56.568 56.100 0.075 0.000 1.076 691 R CB -0.190 30.158 30.300 0.080 0.000 1.119 691 R HN 0.456 nan 8.270 nan 0.000 0.524 692 A N 1.559 124.413 122.820 0.058 0.000 1.903 692 A HA -0.306 4.016 4.320 0.002 0.000 0.219 692 A C 1.997 179.654 177.584 0.122 0.000 1.191 692 A CA 1.991 54.022 52.037 -0.010 0.000 0.638 692 A CB -0.320 18.606 19.000 -0.123 0.000 0.823 692 A HN 0.275 nan 8.150 nan 0.000 0.451 693 E N 0.352 120.600 120.200 0.080 0.000 2.097 693 E HA -0.212 4.139 4.350 0.002 0.000 0.196 693 E C 1.684 178.344 176.600 0.100 0.000 1.000 693 E CA 1.940 58.385 56.400 0.075 0.000 0.804 693 E CB -0.519 29.208 29.700 0.044 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.262 117.499 118.700 0.101 0.000 2.453 694 N HA -0.108 4.633 4.740 0.002 0.000 0.183 694 N C 0.740 176.244 175.510 -0.010 0.000 1.041 694 N CA 0.236 53.300 53.050 0.023 0.000 0.900 694 N CB -0.123 38.333 38.487 -0.053 0.000 0.961 694 N HN 0.145 nan 8.380 nan 0.000 0.443 695 F N 1.465 121.368 119.950 -0.078 0.000 2.699 695 F HA 0.042 4.570 4.527 0.002 0.000 0.298 695 F C 1.846 177.646 175.800 -0.001 0.000 1.154 695 F CA 0.591 58.541 58.000 -0.083 0.000 1.457 695 F CB 0.009 38.907 39.000 -0.171 0.000 1.106 695 F HN -0.087 nan 8.300 nan 0.000 0.585 696 K N -0.242 120.254 120.400 0.160 0.000 2.280 696 K HA -0.156 4.165 4.320 0.002 0.000 0.202 696 K C 1.525 178.183 176.600 0.097 0.000 1.047 696 K CA 0.852 57.214 56.287 0.125 0.000 0.942 696 K CB -0.110 32.443 32.500 0.089 0.000 0.739 696 K HN 0.264 nan 8.250 nan 0.000 0.457 697 Q N 0.279 120.115 119.800 0.061 0.000 2.403 697 Q HA 0.037 4.378 4.340 0.002 0.000 0.203 697 Q C 0.660 176.695 176.000 0.060 0.000 0.932 697 Q CA 0.295 56.125 55.803 0.046 0.000 0.945 697 Q CB 0.388 29.135 28.738 0.014 0.000 1.045 697 Q HN 0.209 nan 8.270 nan 0.000 0.511 698 V N -3.229 116.736 119.914 0.085 0.000 3.130 698 V HA 0.536 4.657 4.120 0.002 0.000 0.310 698 V C -0.942 175.290 176.094 0.230 0.000 1.158 698 V CA -1.286 61.090 62.300 0.127 0.000 1.029 698 V CB 2.429 34.288 31.823 0.061 0.000 1.057 698 V HN -0.051 nan 8.190 nan 0.000 0.436 699 E N 1.480 121.847 120.200 0.280 0.000 2.146 699 E HA 0.467 4.818 4.350 0.002 0.000 0.282 699 E C -1.871 175.097 176.600 0.612 0.000 0.989 699 E CA -0.354 56.282 56.400 0.393 0.000 0.799 699 E CB 1.776 31.636 29.700 0.266 0.000 1.088 699 E HN 0.682 nan 8.360 nan 0.000 0.397 700 Y N 3.301 123.863 120.300 0.437 0.000 2.409 700 Y HA 0.456 5.008 4.550 0.002 0.000 0.343 700 Y C -1.492 174.491 175.900 0.138 0.000 0.973 700 Y CA -1.193 57.105 58.100 0.331 0.000 1.064 700 Y CB 1.059 39.747 38.460 0.380 0.000 1.207 700 Y HN 0.435 nan 8.280 nan 0.000 0.452 701 L N 7.793 128.709 121.223 -0.511 0.000 2.343 701 L HA 0.498 4.839 4.340 0.002 0.000 0.278 701 L C -1.722 174.689 176.870 -0.764 0.000 0.996 701 L CA -0.776 53.632 54.840 -0.720 0.000 0.831 701 L CB 1.230 42.543 42.059 -1.243 0.000 1.232 701 L HN 0.666 nan 8.230 nan 0.000 0.413 702 L N 6.366 127.251 121.223 -0.562 0.000 2.287 702 L HA 0.591 4.932 4.340 0.002 0.000 0.287 702 L C -0.892 175.855 176.870 -0.205 0.000 1.022 702 L CA -0.479 54.083 54.840 -0.464 0.000 0.814 702 L CB 1.569 43.440 42.059 -0.313 0.000 1.217 702 L HN 0.594 nan 8.230 nan 0.000 0.420 703 I N 3.929 124.385 120.570 -0.190 0.000 2.545 703 I HA 0.487 4.658 4.170 0.002 0.000 0.292 703 I C -0.967 175.128 176.117 -0.037 0.000 1.040 703 I CA -0.760 60.484 61.300 -0.093 0.000 1.068 703 I CB 2.064 39.972 38.000 -0.153 0.000 1.251 703 I HN 0.524 nan 8.210 nan 0.000 0.424 704 H N 2.823 121.937 119.070 0.075 0.000 3.085 704 H HA 0.384 4.941 4.556 0.002 0.000 0.356 704 H C -0.766 174.800 175.328 0.396 0.000 1.178 704 H CA -0.562 55.578 56.048 0.153 0.000 1.214 704 H CB 2.480 32.254 29.762 0.019 0.000 1.881 704 H HN 0.764 nan 8.280 nan 0.000 0.538 705 G N 1.023 110.209 108.800 0.642 0.000 2.390 705 G HA2 0.235 4.196 3.960 0.002 0.000 0.270 705 G HA3 0.235 4.196 3.960 0.002 0.000 0.270 705 G C 1.124 176.320 174.900 0.493 0.000 1.211 705 G CA 0.223 45.636 45.100 0.522 0.000 0.842 705 G HN 0.653 nan 8.290 nan 0.000 0.519 706 T N -0.606 114.093 114.554 0.241 0.000 2.995 706 T HA 0.068 4.419 4.350 0.002 0.000 0.269 706 T C 1.737 176.423 174.700 -0.024 0.000 1.091 706 T CA 1.290 63.340 62.100 -0.083 0.000 1.128 706 T CB 0.141 68.872 68.868 -0.228 0.000 0.891 706 T HN 0.679 nan 8.240 nan 0.000 0.492 707 A N 1.088 123.970 122.820 0.104 0.000 2.577 707 A HA 0.302 4.623 4.320 0.002 0.000 0.280 707 A C 0.445 178.008 177.584 -0.035 0.000 1.331 707 A CA -0.489 51.581 52.037 0.055 0.000 0.935 707 A CB -0.352 18.928 19.000 0.467 0.000 1.082 707 A HN 0.384 nan 8.150 nan 0.000 0.525 708 D N 1.571 121.982 120.400 0.019 0.000 2.342 708 D HA -0.018 4.623 4.640 0.002 0.000 0.260 708 D C 0.439 176.743 176.300 0.006 0.000 1.278 708 D CA 0.137 54.254 54.000 0.194 0.000 0.910 708 D CB 0.614 41.697 40.800 0.472 0.000 1.079 708 D HN 0.583 nan 8.370 nan 0.000 0.496 709 D N 2.297 122.742 120.400 0.076 0.000 2.347 709 D HA -0.144 4.497 4.640 0.002 0.000 0.213 709 D C 0.955 177.287 176.300 0.053 0.000 0.985 709 D CA -0.031 53.965 54.000 -0.007 0.000 0.879 709 D CB 0.425 41.171 40.800 -0.091 0.000 0.919 709 D HN 0.220 nan 8.370 nan 0.000 0.526 710 N N 0.819 119.654 118.700 0.225 0.000 2.335 710 N HA -0.060 4.681 4.740 0.002 0.000 0.197 710 N C -0.063 175.487 175.510 0.066 0.000 1.045 710 N CA 0.562 53.789 53.050 0.295 0.000 0.928 710 N CB 0.225 38.875 38.487 0.272 0.000 1.118 710 N HN -0.109 nan 8.380 nan 0.000 0.471 711 V N 2.867 122.863 119.914 0.135 0.000 2.304 711 V HA 0.219 4.340 4.120 0.002 0.000 0.269 711 V C -0.539 175.678 176.094 0.206 0.000 1.036 711 V CA -0.477 61.912 62.300 0.149 0.000 0.840 711 V CB -0.327 31.630 31.823 0.224 0.000 1.036 711 V HN 0.319 nan 8.190 nan 0.000 0.466 712 H N 3.427 122.515 119.070 0.029 0.000 2.897 712 H HA -0.019 4.538 4.556 0.002 0.000 0.347 712 H C 0.811 175.994 175.328 -0.242 0.000 1.068 712 H CA -0.095 55.873 56.048 -0.135 0.000 1.426 712 H CB 0.781 30.377 29.762 -0.277 0.000 1.410 712 H HN 0.637 nan 8.280 nan 0.000 0.597 713 F N 2.159 121.883 119.950 -0.376 0.000 2.184 713 F HA -0.313 4.215 4.527 0.002 0.000 0.301 713 F C 2.592 178.126 175.800 -0.443 0.000 1.076 713 F CA 1.800 59.372 58.000 -0.714 0.000 1.295 713 F CB -0.179 38.590 39.000 -0.386 0.000 1.026 713 F HN 0.665 nan 8.300 nan 0.000 0.494 714 Q N 0.171 119.859 119.800 -0.186 0.000 2.197 714 Q HA -0.315 4.026 4.340 0.002 0.000 0.211 714 Q C 2.057 177.846 176.000 -0.351 0.000 0.993 714 Q CA 2.268 57.912 55.803 -0.264 0.000 0.883 714 Q CB -0.350 28.196 28.738 -0.320 0.000 0.916 714 Q HN 0.601 nan 8.270 nan 0.000 0.418 715 Q N -0.373 119.264 119.800 -0.270 0.000 2.084 715 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 715 Q C 2.226 178.147 176.000 -0.130 0.000 0.978 715 Q CA 1.694 57.447 55.803 -0.084 0.000 0.844 715 Q CB -0.056 28.712 28.738 0.050 0.000 0.898 715 Q HN 0.327 nan 8.270 nan 0.000 0.426 716 S N 0.544 116.069 115.700 -0.291 0.000 2.436 716 S HA 0.017 4.488 4.470 0.002 0.000 0.228 716 S C 1.993 176.373 174.600 -0.366 0.000 1.014 716 S CA 0.643 58.667 58.200 -0.294 0.000 0.950 716 S CB -0.022 62.979 63.200 -0.333 0.000 0.784 716 S HN 0.450 nan 8.310 nan 0.000 0.504 717 A N 1.364 123.892 122.820 -0.486 0.000 1.933 717 A HA -0.119 4.202 4.320 0.002 0.000 0.218 717 A C 2.114 179.615 177.584 -0.139 0.000 1.175 717 A CA 1.092 52.965 52.037 -0.272 0.000 0.628 717 A CB -0.352 18.548 19.000 -0.166 0.000 0.814 717 A HN 0.363 nan 8.150 nan 0.000 0.444 718 Q N -0.524 119.201 119.800 -0.125 0.000 2.187 718 Q HA 0.032 4.373 4.340 0.002 0.000 0.199 718 Q C 2.100 178.054 176.000 -0.076 0.000 0.957 718 Q CA 0.855 56.630 55.803 -0.047 0.000 0.857 718 Q CB -0.264 28.516 28.738 0.070 0.000 0.929 718 Q HN 0.776 nan 8.270 nan 0.000 0.453 719 I N 1.218 121.717 120.570 -0.118 0.000 2.142 719 I HA -0.284 3.887 4.170 0.002 0.000 0.240 719 I C 2.557 178.509 176.117 -0.274 0.000 1.078 719 I CA 1.501 62.683 61.300 -0.196 0.000 1.343 719 I CB -0.483 37.410 38.000 -0.178 0.000 1.046 719 I HN 0.182 nan 8.210 nan 0.000 0.405 720 S N 0.925 116.496 115.700 -0.216 0.000 2.370 720 S HA -0.299 4.172 4.470 0.002 0.000 0.226 720 S C 2.021 176.591 174.600 -0.050 0.000 1.033 720 S CA 1.634 59.741 58.200 -0.155 0.000 1.011 720 S CB -0.499 62.778 63.200 0.128 0.000 0.852 720 S HN 0.379 nan 8.310 nan 0.000 0.457 721 K N 1.669 122.045 120.400 -0.040 0.000 2.097 721 K HA 0.067 4.388 4.320 0.002 0.000 0.206 721 K C 2.267 178.844 176.600 -0.038 0.000 1.049 721 K CA 1.091 57.371 56.287 -0.011 0.000 0.933 721 K CB -0.632 31.861 32.500 -0.011 0.000 0.717 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 0.889 123.654 122.820 -0.091 0.000 1.930 722 A HA -0.070 4.251 4.320 0.002 0.000 0.217 722 A C 2.048 179.555 177.584 -0.129 0.000 1.175 722 A CA 1.070 53.045 52.037 -0.102 0.000 0.627 722 A CB -0.487 18.434 19.000 -0.132 0.000 0.815 722 A HN 0.301 nan 8.150 nan 0.000 0.443 723 L N -0.677 120.414 121.223 -0.220 0.000 2.056 723 L HA -0.134 4.207 4.340 0.002 0.000 0.207 723 L C 2.517 179.385 176.870 -0.004 0.000 1.078 723 L CA 0.931 55.636 54.840 -0.226 0.000 0.749 723 L CB -0.532 41.190 42.059 -0.561 0.000 0.901 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.162 119.794 119.914 0.069 0.000 2.343 724 V HA -0.284 3.837 4.120 0.002 0.000 0.247 724 V C 1.971 178.102 176.094 0.061 0.000 1.051 724 V CA 1.868 64.241 62.300 0.122 0.000 1.036 724 V CB -0.505 31.393 31.823 0.125 0.000 0.654 724 V HN 0.430 nan 8.190 nan 0.000 0.451 725 D N -0.391 120.024 120.400 0.026 0.000 2.263 725 D HA -0.095 4.546 4.640 0.002 0.000 0.208 725 D C 1.771 178.081 176.300 0.018 0.000 0.971 725 D CA 0.889 54.900 54.000 0.017 0.000 0.867 725 D CB 0.064 40.866 40.800 0.004 0.000 0.929 725 D HN 0.348 nan 8.370 nan 0.000 0.492 726 V N -0.572 119.351 119.914 0.016 0.000 3.647 726 V HA 0.203 4.324 4.120 0.002 0.000 0.279 726 V C 1.267 177.387 176.094 0.043 0.000 1.314 726 V CA 0.690 63.003 62.300 0.022 0.000 1.125 726 V CB 0.230 32.059 31.823 0.010 0.000 0.907 726 V HN 0.340 nan 8.190 nan 0.000 0.434 727 G N 0.949 109.783 108.800 0.057 0.000 2.248 727 G HA2 -0.191 3.770 3.960 0.002 0.000 0.263 727 G HA3 -0.191 3.770 3.960 0.002 0.000 0.263 727 G C -0.073 174.887 174.900 0.100 0.000 1.082 727 G CA 0.270 45.414 45.100 0.074 0.000 0.863 727 G HN 0.393 nan 8.290 nan 0.000 0.495 728 V N 0.461 120.454 119.914 0.131 0.000 2.398 728 V HA 0.489 4.610 4.120 0.002 0.000 0.286 728 V C 0.327 176.605 176.094 0.306 0.000 1.026 728 V CA -0.557 61.851 62.300 0.180 0.000 0.868 728 V CB 1.786 33.694 31.823 0.142 0.000 0.982 728 V HN 0.452 nan 8.190 nan 0.000 0.443 729 D N 4.013 124.573 120.400 0.267 0.000 2.304 729 D HA 0.612 5.253 4.640 0.002 0.000 0.247 729 D C -0.574 175.979 176.300 0.421 0.000 1.089 729 D CA 0.169 54.324 54.000 0.258 0.000 0.910 729 D CB 0.850 41.729 40.800 0.132 0.000 1.199 729 D HN 0.342 nan 8.370 nan 0.000 0.426 730 F N -0.370 119.659 119.950 0.133 0.000 2.831 730 F HA 0.477 5.006 4.527 0.002 0.000 0.318 730 F C -1.487 174.375 175.800 0.104 0.000 1.174 730 F CA -1.106 56.999 58.000 0.174 0.000 0.918 730 F CB 0.705 39.850 39.000 0.242 0.000 1.364 730 F HN 0.111 nan 8.300 nan 0.000 0.475 731 Q N 1.118 120.993 119.800 0.124 0.000 2.306 731 Q HA 0.833 5.174 4.340 0.002 0.000 0.265 731 Q C -0.989 174.991 176.000 -0.034 0.000 1.022 731 Q CA -0.902 54.875 55.803 -0.044 0.000 0.853 731 Q CB 2.307 31.060 28.738 0.024 0.000 1.327 731 Q HN 1.063 nan 8.270 nan 0.000 0.449 732 A N 1.622 124.394 122.820 -0.080 0.000 2.556 732 A HA 0.844 5.165 4.320 0.002 0.000 0.294 732 A C -1.465 176.058 177.584 -0.101 0.000 1.091 732 A CA -0.552 51.469 52.037 -0.026 0.000 0.704 732 A CB 2.018 21.063 19.000 0.075 0.000 1.300 732 A HN 0.605 nan 8.150 nan 0.000 0.406 733 M N 1.364 120.890 119.600 -0.124 0.000 2.274 733 M HA 0.566 5.047 4.480 0.002 0.000 0.272 733 M C -1.989 174.166 176.300 -0.242 0.000 1.053 733 M CA -0.589 54.486 55.300 -0.375 0.000 0.978 733 M CB 1.065 33.353 32.600 -0.519 0.000 1.836 733 M HN 0.966 nan 8.290 nan 0.000 0.484 734 W N 4.314 125.452 121.300 -0.270 0.000 2.516 734 W HA 0.790 5.451 4.660 0.002 0.000 0.343 734 W C -2.004 174.251 176.519 -0.439 0.000 1.094 734 W CA -0.855 56.424 57.345 -0.110 0.000 1.250 734 W CB 0.414 29.864 29.460 -0.017 0.000 1.308 734 W HN 0.608 nan 8.180 nan 0.000 0.588 735 Y N 2.200 122.646 120.300 0.243 0.000 2.376 735 Y HA 0.282 4.833 4.550 0.001 0.000 0.326 735 Y C 0.731 176.749 175.900 0.198 0.000 0.970 735 Y CA -1.117 57.038 58.100 0.091 0.000 1.248 735 Y CB 1.495 39.982 38.460 0.044 0.000 1.117 735 Y HN 0.616 nan 8.280 nan 0.000 0.476 736 T N 3.449 118.175 114.554 0.288 0.000 2.871 736 T HA 0.026 4.377 4.350 0.002 0.000 0.296 736 T C 0.451 175.224 174.700 0.122 0.000 0.998 736 T CA 0.622 62.822 62.100 0.167 0.000 1.162 736 T CB -0.086 68.809 68.868 0.045 0.000 0.947 736 T HN 0.810 nan 8.240 nan 0.000 0.536 737 D N 1.743 122.195 120.400 0.087 0.000 3.077 737 D HA -0.114 4.527 4.640 0.002 0.000 0.217 737 D C 0.014 176.454 176.300 0.234 0.000 1.162 737 D CA 1.010 55.019 54.000 0.015 0.000 0.943 737 D CB -0.502 40.100 40.800 -0.330 0.000 1.122 737 D HN 0.633 nan 8.370 nan 0.000 0.413 738 E N 0.895 121.248 120.200 0.255 0.000 2.277 738 E HA 0.317 4.668 4.350 0.002 0.000 0.274 738 E C 0.745 177.535 176.600 0.316 0.000 1.022 738 E CA -0.330 56.237 56.400 0.278 0.000 0.853 738 E CB 1.283 31.136 29.700 0.255 0.000 1.086 738 E HN 0.313 nan 8.360 nan 0.000 0.397 739 D N -0.287 120.311 120.400 0.329 0.000 2.511 739 D HA -0.010 4.631 4.640 0.002 0.000 0.283 739 D C 1.125 177.661 176.300 0.392 0.000 1.198 739 D CA -0.161 54.058 54.000 0.365 0.000 1.097 739 D CB -0.189 40.851 40.800 0.401 0.000 1.160 739 D HN 0.439 nan 8.370 nan 0.000 0.589 740 H N -1.513 117.758 119.070 0.335 0.000 2.457 740 H HA 0.044 4.601 4.556 0.002 0.000 0.297 740 H C 1.926 177.517 175.328 0.439 0.000 1.092 740 H CA 2.284 58.556 56.048 0.374 0.000 1.309 740 H CB -0.406 29.554 29.762 0.331 0.000 1.382 740 H HN 0.485 nan 8.280 nan 0.000 0.535 741 G N -0.316 108.656 108.800 0.287 0.000 2.623 741 G HA2 -0.007 3.954 3.960 0.002 0.000 0.214 741 G HA3 -0.007 3.954 3.960 0.002 0.000 0.214 741 G C 0.683 175.753 174.900 0.282 0.000 1.138 741 G CA 0.307 45.501 45.100 0.156 0.000 0.794 741 G HN 0.529 nan 8.290 nan 0.000 0.535 742 I N 0.076 120.831 120.570 0.309 0.000 5.115 742 I HA -0.326 3.845 4.170 0.002 0.000 0.126 742 I C 1.543 177.782 176.117 0.204 0.000 1.316 742 I CA 0.154 61.584 61.300 0.217 0.000 2.641 742 I CB -1.099 37.005 38.000 0.172 0.000 2.272 742 I HN 0.264 nan 8.210 nan 0.000 0.321 743 A N 1.083 124.003 122.820 0.168 0.000 2.348 743 A HA 0.293 4.614 4.320 0.002 0.000 0.224 743 A C 1.174 178.812 177.584 0.090 0.000 1.227 743 A CA 0.534 52.639 52.037 0.115 0.000 0.885 743 A CB 0.115 19.148 19.000 0.056 0.000 0.933 743 A HN 0.634 nan 8.150 nan 0.000 0.506 744 S N -0.473 115.293 115.700 0.111 0.000 2.573 744 S HA 0.143 4.614 4.470 0.002 0.000 0.277 744 S C 1.230 175.889 174.600 0.098 0.000 1.346 744 S CA 0.366 58.624 58.200 0.098 0.000 1.034 744 S CB 1.068 64.331 63.200 0.106 0.000 0.879 744 S HN 0.461 nan 8.310 nan 0.000 0.528 745 S N 1.933 117.678 115.700 0.074 0.000 2.365 745 S HA -0.186 4.285 4.470 0.002 0.000 0.225 745 S C 2.074 176.737 174.600 0.104 0.000 1.039 745 S CA 2.289 60.535 58.200 0.077 0.000 1.033 745 S CB -1.538 61.689 63.200 0.045 0.000 0.887 745 S HN 1.035 nan 8.310 nan 0.000 0.447 746 T N -0.162 114.444 114.554 0.086 0.000 2.812 746 T HA 0.186 4.537 4.350 0.002 0.000 0.264 746 T C 2.010 176.770 174.700 0.099 0.000 1.042 746 T CA 1.253 63.406 62.100 0.087 0.000 1.140 746 T CB -0.965 67.945 68.868 0.071 0.000 0.870 746 T HN 0.448 nan 8.240 nan 0.000 0.445 747 A N 1.516 124.377 122.820 0.069 0.000 1.933 747 A HA -0.109 4.212 4.320 0.002 0.000 0.218 747 A C 2.204 179.750 177.584 -0.063 0.000 1.175 747 A CA 2.074 54.089 52.037 -0.038 0.000 0.628 747 A CB -1.236 17.714 19.000 -0.083 0.000 0.814 747 A HN 0.758 nan 8.150 nan 0.000 0.444 748 H N -0.106 118.954 119.070 -0.017 0.000 2.290 748 H HA -0.142 4.415 4.556 0.002 0.000 0.298 748 H C 2.108 177.505 175.328 0.115 0.000 1.087 748 H CA 2.372 58.462 56.048 0.069 0.000 1.291 748 H CB -0.252 29.555 29.762 0.074 0.000 1.369 748 H HN 0.578 nan 8.280 nan 0.000 0.492 749 Q N -1.036 118.756 119.800 -0.014 0.000 2.124 749 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 749 Q C 2.221 178.203 176.000 -0.030 0.000 0.977 749 Q CA 1.318 57.077 55.803 -0.073 0.000 0.850 749 Q CB -0.186 28.554 28.738 0.003 0.000 0.901 749 Q HN 0.634 nan 8.270 nan 0.000 0.429 750 H N 0.814 119.855 119.070 -0.049 0.000 2.326 750 H HA -0.069 4.488 4.556 0.002 0.000 0.301 750 H C 2.023 177.343 175.328 -0.013 0.000 1.081 750 H CA 1.301 57.354 56.048 0.007 0.000 1.334 750 H CB -0.041 29.778 29.762 0.095 0.000 1.385 750 H HN 0.278 nan 8.280 nan 0.000 0.504 751 I N 0.110 120.657 120.570 -0.038 0.000 2.179 751 I HA -0.327 3.844 4.170 0.002 0.000 0.242 751 I C 1.816 177.702 176.117 -0.385 0.000 1.088 751 I CA 1.275 62.460 61.300 -0.192 0.000 1.357 751 I CB -0.288 37.395 38.000 -0.529 0.000 1.051 751 I HN 0.134 nan 8.210 nan 0.000 0.409 752 Y N 0.952 121.040 120.300 -0.354 0.000 2.293 752 Y HA -0.202 4.349 4.550 0.002 0.000 0.291 752 Y C 2.718 178.410 175.900 -0.348 0.000 1.137 752 Y CA 1.833 59.604 58.100 -0.549 0.000 1.202 752 Y CB -0.837 37.300 38.460 -0.538 0.000 0.990 752 Y HN 0.161 nan 8.280 nan 0.000 0.537 753 T N -1.753 112.725 114.554 -0.126 0.000 2.777 753 T HA -0.214 4.137 4.350 0.002 0.000 0.266 753 T C 1.555 176.152 174.700 -0.173 0.000 1.040 753 T CA 1.804 63.801 62.100 -0.172 0.000 1.141 753 T CB -0.393 68.373 68.868 -0.171 0.000 0.868 753 T HN 0.410 nan 8.240 nan 0.000 0.444 754 H N 0.744 119.703 119.070 -0.186 0.000 2.357 754 H HA 0.155 4.712 4.556 0.002 0.000 0.301 754 H C 2.144 177.466 175.328 -0.010 0.000 1.082 754 H CA 1.443 57.460 56.048 -0.051 0.000 1.342 754 H CB -0.208 29.518 29.762 -0.061 0.000 1.389 754 H HN 0.241 nan 8.280 nan 0.000 0.511 755 M N -0.875 118.677 119.600 -0.079 0.000 2.229 755 M HA -0.141 4.340 4.480 0.002 0.000 0.264 755 M C 2.310 178.728 176.300 0.196 0.000 1.063 755 M CA 1.275 56.520 55.300 -0.090 0.000 1.114 755 M CB 0.124 32.407 32.600 -0.528 0.000 1.387 755 M HN 0.203 nan 8.290 nan 0.000 0.420 756 S N -0.698 115.129 115.700 0.212 0.000 2.368 756 S HA -0.134 4.337 4.470 0.002 0.000 0.224 756 S C 1.680 176.369 174.600 0.149 0.000 1.029 756 S CA 0.912 59.325 58.200 0.355 0.000 0.988 756 S CB -0.493 62.899 63.200 0.320 0.000 0.838 756 S HN 0.472 nan 8.310 nan 0.000 0.462 757 H N -0.025 119.107 119.070 0.104 0.000 2.321 757 H HA -0.046 4.511 4.556 0.002 0.000 0.300 757 H C 1.988 177.316 175.328 0.001 0.000 1.087 757 H CA 1.337 57.399 56.048 0.022 0.000 1.319 757 H CB -0.771 28.956 29.762 -0.058 0.000 1.379 757 H HN 0.434 nan 8.280 nan 0.000 0.501 758 F N 1.353 121.291 119.950 -0.020 0.000 2.095 758 F HA -0.200 4.328 4.527 0.002 0.000 0.298 758 F C 2.332 178.082 175.800 -0.083 0.000 1.104 758 F CA 0.982 58.937 58.000 -0.074 0.000 1.232 758 F CB -0.321 38.612 39.000 -0.110 0.000 0.987 758 F HN -0.040 nan 8.300 nan 0.000 0.475 759 I N 0.622 121.187 120.570 -0.008 0.000 2.226 759 I HA -0.277 3.894 4.170 0.002 0.000 0.245 759 I C 2.250 178.141 176.117 -0.376 0.000 1.100 759 I CA 1.530 62.650 61.300 -0.300 0.000 1.374 759 I CB -1.318 36.592 38.000 -0.149 0.000 1.057 759 I HN 0.219 nan 8.210 nan 0.000 0.413 760 K N 0.248 120.584 120.400 -0.107 0.000 2.057 760 K HA -0.219 4.102 4.320 0.002 0.000 0.207 760 K C 2.125 178.703 176.600 -0.037 0.000 1.049 760 K CA 1.163 57.446 56.287 -0.007 0.000 0.931 760 K CB -0.242 32.306 32.500 0.080 0.000 0.714 760 K HN 0.331 nan 8.250 nan 0.000 0.440 761 Q N 1.187 120.926 119.800 -0.103 0.000 2.084 761 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 761 Q C 2.269 178.169 176.000 -0.167 0.000 0.978 761 Q CA 1.836 57.568 55.803 -0.119 0.000 0.844 761 Q CB -0.582 28.065 28.738 -0.152 0.000 0.898 761 Q HN 0.432 nan 8.270 nan 0.000 0.426 762 c N 0.212 118.603 118.600 -0.348 0.000 2.425 762 c HA -0.083 4.488 4.570 0.002 0.000 0.277 762 c C 2.184 176.283 174.090 0.015 0.000 1.280 762 c CA 0.472 56.615 56.329 -0.311 0.000 1.744 762 c CB -1.313 40.842 42.510 -0.592 0.000 1.989 762 c HN 0.557 nan 8.230 nan 0.000 0.491 763 F N 1.138 121.048 119.950 -0.066 0.000 2.727 763 F HA 0.337 4.865 4.527 0.001 0.000 0.302 763 F C 1.406 177.191 175.800 -0.024 0.000 1.097 763 F CA -0.099 57.884 58.000 -0.029 0.000 1.330 763 F CB -0.767 38.225 39.000 -0.013 0.000 1.084 763 F HN 0.134 nan 8.300 nan 0.000 0.578 764 S N 0.000 115.785 115.700 0.142 0.000 2.498 764 S HA 0.000 4.471 4.470 0.002 0.000 0.327 764 S CA 0.000 58.247 58.200 0.079 0.000 1.107 764 S CB 0.000 63.237 63.200 0.061 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517