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 2ogz_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 IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.627 174.600 0.045 0.000 1.055 39 S CA 0.000 58.219 58.200 0.032 0.000 1.107 39 S CB 0.000 63.212 63.200 0.020 0.000 0.593 40 R N 1.570 122.103 120.500 0.055 0.000 1.324 40 R HA -0.099 4.242 4.340 0.000 0.000 0.434 40 R C -0.975 175.374 176.300 0.080 0.000 1.325 40 R CA 1.239 57.382 56.100 0.071 0.000 1.172 40 R CB -0.612 29.738 30.300 0.083 0.000 3.276 40 R HN 0.797 nan 8.270 nan 0.000 0.517 41 K N 0.601 121.056 120.400 0.092 0.000 2.270 41 K HA 0.809 5.129 4.320 0.000 0.000 0.248 41 K C -0.666 176.004 176.600 0.117 0.000 1.076 41 K CA -0.181 56.168 56.287 0.104 0.000 0.957 41 K CB 1.593 34.161 32.500 0.113 0.000 1.400 41 K HN 0.809 nan 8.250 nan 0.000 0.573 42 T N -3.156 111.482 114.554 0.140 0.000 2.812 42 T HA 0.270 4.620 4.350 0.000 0.000 0.294 42 T C -1.459 173.384 174.700 0.239 0.000 1.159 42 T CA -0.750 61.450 62.100 0.166 0.000 1.008 42 T CB 0.678 69.639 68.868 0.155 0.000 1.289 42 T HN 0.510 nan 8.240 nan 0.000 0.514 43 Y N 2.484 122.866 120.300 0.136 0.000 2.452 43 Y HA 0.473 5.023 4.550 0.000 0.000 0.348 43 Y C 0.812 176.882 175.900 0.283 0.000 0.985 43 Y CA -0.146 58.079 58.100 0.209 0.000 1.214 43 Y CB 0.315 38.855 38.460 0.133 0.000 1.136 43 Y HN 1.036 nan 8.280 nan 0.000 0.523 44 T N 2.547 117.109 114.554 0.012 0.000 2.897 44 T HA 0.174 4.524 4.350 0.000 0.000 0.278 44 T C 0.889 175.490 174.700 -0.165 0.000 0.981 44 T CA -0.778 61.372 62.100 0.084 0.000 0.973 44 T CB 1.242 70.127 68.868 0.028 0.000 1.092 44 T HN 0.663 nan 8.240 nan 0.000 0.543 45 L N 0.975 121.915 121.223 -0.472 0.000 2.042 45 L HA 0.007 4.347 4.340 0.000 0.000 0.210 45 L C 2.581 179.305 176.870 -0.244 0.000 1.076 45 L CA 2.194 56.640 54.840 -0.656 0.000 0.749 45 L CB -1.580 39.989 42.059 -0.817 0.000 0.893 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.447 113.990 114.554 -0.196 0.000 2.746 46 T HA -0.165 4.185 4.350 0.000 0.000 0.267 46 T C 1.476 176.079 174.700 -0.161 0.000 1.039 46 T CA 1.514 63.530 62.100 -0.140 0.000 1.142 46 T CB -0.386 68.422 68.868 -0.101 0.000 0.866 46 T HN 0.412 nan 8.240 nan 0.000 0.444 47 D N 0.032 120.296 120.400 -0.226 0.000 2.144 47 D HA -0.087 4.553 4.640 0.000 0.000 0.199 47 D C 1.713 177.882 176.300 -0.217 0.000 0.984 47 D CA 0.978 54.794 54.000 -0.306 0.000 0.834 47 D CB -0.313 40.199 40.800 -0.480 0.000 0.955 47 D HN 0.435 nan 8.370 nan 0.000 0.465 48 Y N 1.445 121.554 120.300 -0.319 0.000 2.153 48 Y HA -0.041 4.509 4.550 0.000 0.000 0.289 48 Y C 2.167 178.070 175.900 0.004 0.000 1.127 48 Y CA 1.076 59.161 58.100 -0.025 0.000 1.131 48 Y CB -0.531 37.977 38.460 0.081 0.000 0.995 48 Y HN -0.130 nan 8.280 nan 0.000 0.505 49 L N 0.027 121.099 121.223 -0.250 0.000 2.141 49 L HA -0.166 4.174 4.340 0.000 0.000 0.209 49 L C 1.883 178.651 176.870 -0.170 0.000 1.094 49 L CA 1.272 55.945 54.840 -0.277 0.000 0.763 49 L CB -0.479 41.485 42.059 -0.158 0.000 0.908 49 L HN 0.087 nan 8.230 nan 0.000 0.437 50 K N -0.152 120.167 120.400 -0.136 0.000 2.404 50 K HA 0.031 4.351 4.320 0.000 0.000 0.194 50 K C 0.361 176.904 176.600 -0.096 0.000 1.023 50 K CA -0.042 56.181 56.287 -0.105 0.000 1.094 50 K CB -0.422 32.017 32.500 -0.103 0.000 0.841 50 K HN 0.151 nan 8.250 nan 0.000 0.523 51 N N 1.136 119.785 118.700 -0.086 0.000 2.738 51 N HA -0.167 4.574 4.740 0.000 0.000 0.249 51 N C 0.125 175.611 175.510 -0.039 0.000 1.047 51 N CA 0.988 54.028 53.050 -0.018 0.000 0.707 51 N CB -1.543 36.928 38.487 -0.026 0.000 0.937 51 N HN 0.090 nan 8.380 nan 0.000 0.545 52 T N -0.618 113.853 114.554 -0.138 0.000 2.788 52 T HA -0.131 4.220 4.350 0.000 0.000 0.268 52 T C 0.139 174.623 174.700 -0.360 0.000 1.044 52 T CA 1.480 63.383 62.100 -0.328 0.000 1.139 52 T CB -0.179 68.338 68.868 -0.584 0.000 0.867 52 T HN 0.405 nan 8.240 nan 0.000 0.454 53 Y N 1.080 121.474 120.300 0.158 0.000 2.334 53 Y HA 0.578 5.128 4.550 0.000 0.000 0.336 53 Y C 0.335 176.345 175.900 0.185 0.000 0.960 53 Y CA -1.239 56.978 58.100 0.195 0.000 1.164 53 Y CB 0.777 39.420 38.460 0.306 0.000 1.155 53 Y HN -0.168 nan 8.280 nan 0.000 0.478 54 R N 3.036 123.690 120.500 0.256 0.000 2.445 54 R HA 0.572 4.912 4.340 0.000 0.000 0.308 54 R C -1.231 175.176 176.300 0.178 0.000 0.961 54 R CA -0.794 55.418 56.100 0.187 0.000 0.862 54 R CB 1.051 31.417 30.300 0.110 0.000 1.144 54 R HN 0.697 nan 8.270 nan 0.000 0.447 55 L N 4.350 125.681 121.223 0.179 0.000 2.369 55 L HA 0.240 4.580 4.340 0.000 0.000 0.279 55 L C 0.324 177.271 176.870 0.129 0.000 1.108 55 L CA 0.089 55.032 54.840 0.171 0.000 0.852 55 L CB 0.668 42.849 42.059 0.204 0.000 1.169 55 L HN 0.409 nan 8.230 nan 0.000 0.452 56 K N 3.848 124.315 120.400 0.111 0.000 2.270 56 K HA 0.530 4.850 4.320 0.000 0.000 0.276 56 K C -0.573 176.053 176.600 0.043 0.000 1.023 56 K CA -0.294 56.035 56.287 0.069 0.000 0.955 56 K CB 0.951 33.488 32.500 0.063 0.000 0.975 56 K HN 0.403 nan 8.250 nan 0.000 0.471 57 L N 1.647 122.837 121.223 -0.056 0.000 2.260 57 L HA 0.488 4.828 4.340 0.000 0.000 0.265 57 L C -1.031 175.589 176.870 -0.417 0.000 1.015 57 L CA -1.083 53.601 54.840 -0.260 0.000 0.826 57 L CB 0.890 42.903 42.059 -0.077 0.000 1.373 57 L HN 0.516 nan 8.230 nan 0.000 0.450 58 Y N 0.166 119.945 120.300 -0.868 0.000 2.541 58 Y HA 0.344 4.894 4.550 0.000 0.000 0.350 58 Y C -0.779 174.933 175.900 -0.314 0.000 1.075 58 Y CA -0.530 57.232 58.100 -0.564 0.000 1.302 58 Y CB 1.401 39.379 38.460 -0.803 0.000 1.094 58 Y HN 0.424 nan 8.280 nan 0.000 0.579 59 S N 6.026 121.601 115.700 -0.208 0.000 2.416 59 S HA 0.462 4.933 4.470 0.000 0.000 0.287 59 S C -0.558 173.953 174.600 -0.149 0.000 1.139 59 S CA -0.385 57.749 58.200 -0.111 0.000 1.058 59 S CB 0.080 63.242 63.200 -0.065 0.000 0.967 59 S HN 0.444 nan 8.310 nan 0.000 0.495 60 L N 3.043 124.141 121.223 -0.209 0.000 2.352 60 L HA 0.621 4.961 4.340 0.000 0.000 0.269 60 L C 0.605 177.345 176.870 -0.217 0.000 1.034 60 L CA -0.266 54.347 54.840 -0.378 0.000 0.806 60 L CB 0.698 42.222 42.059 -0.891 0.000 1.244 60 L HN 0.500 nan 8.230 nan 0.000 0.447 61 R N 1.179 121.589 120.500 -0.151 0.000 2.680 61 R HA 0.224 4.564 4.340 0.000 0.000 0.278 61 R C -1.640 174.705 176.300 0.074 0.000 1.582 61 R CA -0.550 55.551 56.100 0.002 0.000 1.177 61 R CB 0.585 30.923 30.300 0.064 0.000 1.232 61 R HN 0.587 nan 8.270 nan 0.000 0.528 62 W N 4.896 126.304 121.300 0.179 0.000 2.257 62 W HA 0.032 4.693 4.660 0.000 0.000 0.337 62 W C 1.631 178.230 176.519 0.133 0.000 1.321 62 W CA -0.240 57.222 57.345 0.195 0.000 1.267 62 W CB 0.533 30.106 29.460 0.187 0.000 1.187 62 W HN 0.576 nan 8.180 nan 0.000 0.565 63 I N -0.181 120.608 120.570 0.364 0.000 4.227 63 I HA 0.310 4.480 4.170 0.000 0.000 0.334 63 I C 0.611 176.828 176.117 0.166 0.000 1.341 63 I CA -0.090 61.326 61.300 0.194 0.000 1.123 63 I CB -0.107 37.947 38.000 0.090 0.000 1.097 63 I HN 0.306 nan 8.210 nan 0.000 0.399 64 S N -0.327 115.504 115.700 0.218 0.000 3.211 64 S HA 0.288 4.759 4.470 0.000 0.000 0.320 64 S C -0.036 174.662 174.600 0.163 0.000 1.225 64 S CA 0.016 58.298 58.200 0.136 0.000 1.044 64 S CB 1.456 64.655 63.200 -0.002 0.000 1.410 64 S HN 0.074 nan 8.310 nan 0.000 0.640 65 D N -0.179 120.329 120.400 0.180 0.000 2.346 65 D HA 0.177 4.817 4.640 0.000 0.000 0.206 65 D C 1.050 177.571 176.300 0.368 0.000 1.001 65 D CA 1.153 55.271 54.000 0.196 0.000 0.871 65 D CB -0.006 40.926 40.800 0.221 0.000 0.943 65 D HN 0.769 nan 8.370 nan 0.000 0.518 66 H N -2.962 116.295 119.070 0.311 0.000 3.398 66 H HA 0.497 5.054 4.556 0.000 0.000 0.260 66 H C -0.323 175.195 175.328 0.317 0.000 1.189 66 H CA -0.581 55.676 56.048 0.349 0.000 1.145 66 H CB 0.328 30.276 29.762 0.310 0.000 1.599 66 H HN -0.113 nan 8.280 nan 0.000 0.615 67 E N 1.108 121.390 120.200 0.137 0.000 2.317 67 E HA 0.369 4.720 4.350 0.000 0.000 0.270 67 E C -1.587 175.220 176.600 0.345 0.000 0.885 67 E CA -1.445 55.017 56.400 0.104 0.000 0.760 67 E CB 2.687 32.306 29.700 -0.135 0.000 1.227 67 E HN 0.350 nan 8.360 nan 0.000 0.434 68 Y N -0.762 119.575 120.300 0.062 0.000 2.597 68 Y HA 0.618 5.168 4.550 0.000 0.000 0.340 68 Y C -1.801 174.094 175.900 -0.008 0.000 1.097 68 Y CA -1.360 56.669 58.100 -0.118 0.000 1.037 68 Y CB 0.851 38.878 38.460 -0.722 0.000 1.305 68 Y HN 0.349 nan 8.280 nan 0.000 0.463 69 L N 2.935 124.306 121.223 0.246 0.000 2.322 69 L HA 0.451 4.791 4.340 0.000 0.000 0.279 69 L C -1.381 175.696 176.870 0.345 0.000 1.036 69 L CA -1.041 53.931 54.840 0.219 0.000 0.807 69 L CB 1.578 43.671 42.059 0.057 0.000 1.226 69 L HN 0.749 nan 8.230 nan 0.000 0.433 70 Y N 3.167 123.584 120.300 0.195 0.000 2.326 70 Y HA 0.303 4.854 4.550 0.000 0.000 0.329 70 Y C -0.233 175.680 175.900 0.022 0.000 0.973 70 Y CA -1.297 56.814 58.100 0.018 0.000 1.162 70 Y CB 1.315 39.715 38.460 -0.101 0.000 1.147 70 Y HN 0.443 nan 8.280 nan 0.000 0.456 71 K N 3.902 124.028 120.400 -0.457 0.000 2.383 71 K HA 0.087 4.407 4.320 0.000 0.000 0.286 71 K C 0.064 176.258 176.600 -0.676 0.000 1.051 71 K CA 0.028 56.070 56.287 -0.407 0.000 0.974 71 K CB 0.777 33.159 32.500 -0.196 0.000 0.968 71 K HN 0.702 nan 8.250 nan 0.000 0.475 72 Q N 3.454 123.021 119.800 -0.387 0.000 2.237 72 Q HA 0.051 4.391 4.340 0.000 0.000 0.252 72 Q C -0.572 175.319 176.000 -0.180 0.000 0.877 72 Q CA 0.417 56.045 55.803 -0.291 0.000 1.011 72 Q CB -0.001 28.665 28.738 -0.119 0.000 1.118 72 Q HN 0.820 nan 8.270 nan 0.000 0.458 73 E N -1.643 118.445 120.200 -0.187 0.000 3.708 73 E HA -0.380 3.970 4.350 0.000 0.000 0.307 73 E C 0.198 176.745 176.600 -0.089 0.000 0.696 73 E CA 1.572 57.901 56.400 -0.118 0.000 1.048 73 E CB -0.629 29.015 29.700 -0.094 0.000 1.556 73 E HN 0.491 nan 8.360 nan 0.000 0.448 74 N N -0.443 118.202 118.700 -0.092 0.000 2.428 74 N HA 0.039 4.779 4.740 0.000 0.000 0.249 74 N C -0.804 174.657 175.510 -0.080 0.000 1.092 74 N CA 0.720 53.726 53.050 -0.073 0.000 0.833 74 N CB 0.604 39.057 38.487 -0.058 0.000 1.575 74 N HN 0.194 nan 8.380 nan 0.000 0.476 75 N N 0.499 119.148 118.700 -0.084 0.000 2.430 75 N HA 0.275 5.015 4.740 0.000 0.000 0.290 75 N C -1.402 174.065 175.510 -0.071 0.000 1.063 75 N CA -0.502 52.503 53.050 -0.075 0.000 0.883 75 N CB 1.685 40.138 38.487 -0.057 0.000 1.465 75 N HN 0.084 nan 8.380 nan 0.000 0.493 76 I N 2.398 122.923 120.570 -0.076 0.000 2.496 76 I HA 0.287 4.457 4.170 0.000 0.000 0.285 76 I C -1.052 175.097 176.117 0.053 0.000 1.080 76 I CA -0.437 60.828 61.300 -0.058 0.000 1.404 76 I CB 0.298 38.199 38.000 -0.165 0.000 1.403 76 I HN 0.459 nan 8.210 nan 0.000 0.539 77 L N 7.470 128.761 121.223 0.114 0.000 2.333 77 L HA 0.522 4.862 4.340 0.000 0.000 0.269 77 L C -0.645 176.315 176.870 0.149 0.000 1.010 77 L CA -1.024 53.880 54.840 0.106 0.000 0.818 77 L CB 1.847 43.930 42.059 0.040 0.000 1.306 77 L HN 0.362 nan 8.230 nan 0.000 0.430 78 V N 2.540 122.462 119.914 0.013 0.000 2.294 78 V HA 0.425 4.546 4.120 0.000 0.000 0.272 78 V C -0.665 175.330 176.094 -0.164 0.000 1.027 78 V CA -0.186 62.114 62.300 -0.000 0.000 0.823 78 V CB 0.486 32.339 31.823 0.050 0.000 1.030 78 V HN 0.407 nan 8.190 nan 0.000 0.457 79 F N 5.126 124.808 119.950 -0.446 0.000 2.375 79 F HA 0.430 4.957 4.527 0.000 0.000 0.333 79 F C 0.844 176.347 175.800 -0.495 0.000 1.104 79 F CA -0.495 57.185 58.000 -0.534 0.000 1.149 79 F CB 0.902 39.389 39.000 -0.856 0.000 1.190 79 F HN 0.497 nan 8.300 nan 0.000 0.533 80 N N 2.045 120.699 118.700 -0.076 0.000 2.527 80 N HA 0.225 4.965 4.740 0.000 0.000 0.236 80 N C 0.688 176.162 175.510 -0.061 0.000 0.999 80 N CA 0.078 53.121 53.050 -0.012 0.000 0.935 80 N CB 1.437 39.997 38.487 0.122 0.000 1.132 80 N HN 0.769 nan 8.380 nan 0.000 0.511 81 A N 3.639 126.384 122.820 -0.124 0.000 1.954 81 A HA -0.274 4.046 4.320 0.000 0.000 0.222 81 A C 1.901 179.224 177.584 -0.435 0.000 1.199 81 A CA 1.981 53.850 52.037 -0.280 0.000 0.657 81 A CB -0.555 18.063 19.000 -0.637 0.000 0.823 81 A HN 0.778 nan 8.150 nan 0.000 0.463 82 E N -1.262 118.649 120.200 -0.482 0.000 2.070 82 E HA -0.187 4.163 4.350 0.000 0.000 0.197 82 E C 1.457 177.682 176.600 -0.625 0.000 1.004 82 E CA 2.250 58.308 56.400 -0.571 0.000 0.805 82 E CB -0.304 28.921 29.700 -0.791 0.000 0.744 82 E HN 0.813 nan 8.360 nan 0.000 0.451 83 Y N -3.368 116.932 120.300 -0.000 0.000 2.678 83 Y HA 0.434 4.984 4.550 0.000 0.000 0.274 83 Y C 1.412 177.323 175.900 0.018 0.000 1.114 83 Y CA 0.001 58.107 58.100 0.009 0.000 1.274 83 Y CB 0.753 39.219 38.460 0.010 0.000 1.438 83 Y HN 0.063 nan 8.280 nan 0.000 0.493 84 G N 0.796 109.714 108.800 0.196 0.000 2.245 84 G HA2 -0.182 3.778 3.960 0.000 0.000 0.116 84 G HA3 -0.182 3.778 3.960 0.000 0.000 0.116 84 G C -0.988 174.002 174.900 0.149 0.000 1.054 84 G CA -0.769 44.453 45.100 0.203 0.000 0.728 84 G HN 0.168 nan 8.290 nan 0.000 0.483 85 N N 0.255 118.995 118.700 0.066 0.000 2.371 85 N HA 0.515 5.255 4.740 0.000 0.000 0.243 85 N C 1.231 176.540 175.510 -0.334 0.000 1.287 85 N CA 0.559 53.567 53.050 -0.069 0.000 0.911 85 N CB 1.047 39.520 38.487 -0.023 0.000 1.142 85 N HN 0.210 nan 8.380 nan 0.000 0.451 86 S N -0.064 115.441 115.700 -0.324 0.000 2.479 86 S HA 0.210 4.680 4.470 0.000 0.000 0.157 86 S C -0.292 174.083 174.600 -0.375 0.000 1.101 86 S CA 0.518 58.432 58.200 -0.476 0.000 1.696 86 S CB -0.370 62.675 63.200 -0.258 0.000 0.580 86 S HN 0.720 nan 8.310 nan 0.000 0.407 87 S N 0.042 115.615 115.700 -0.211 0.000 3.723 87 S HA -0.127 4.343 4.470 0.000 0.000 0.621 87 S C -0.609 173.935 174.600 -0.093 0.000 0.618 87 S CA 0.219 58.342 58.200 -0.128 0.000 1.427 87 S CB -1.792 61.349 63.200 -0.099 0.000 0.882 87 S HN 0.897 nan 8.310 nan 0.000 0.913 88 V N 5.856 125.727 119.914 -0.072 0.000 2.901 88 V HA 0.415 4.535 4.120 0.000 0.000 0.307 88 V C 0.949 177.064 176.094 0.033 0.000 1.084 88 V CA 1.530 63.816 62.300 -0.024 0.000 1.184 88 V CB 1.124 32.920 31.823 -0.045 0.000 0.941 88 V HN 0.887 nan 8.190 nan 0.000 0.493 89 F N 5.353 125.261 119.950 -0.071 0.000 2.557 89 F HA 0.516 5.043 4.527 0.000 0.000 0.278 89 F C 0.085 175.851 175.800 -0.057 0.000 1.051 89 F CA 0.068 58.037 58.000 -0.052 0.000 1.357 89 F CB 0.591 39.573 39.000 -0.029 0.000 1.104 89 F HN 0.385 nan 8.300 nan 0.000 0.654 90 L N 1.467 122.800 121.223 0.183 0.000 2.439 90 L HA 0.277 4.617 4.340 0.000 0.000 0.270 90 L C -0.340 176.501 176.870 -0.048 0.000 0.972 90 L CA -0.662 54.199 54.840 0.035 0.000 0.836 90 L CB 1.611 43.747 42.059 0.127 0.000 1.255 90 L HN 0.278 nan 8.230 nan 0.000 0.404 91 E N 2.161 122.293 120.200 -0.113 0.000 2.391 91 E HA 0.096 4.447 4.350 0.000 0.000 0.255 91 E C 0.527 177.054 176.600 -0.121 0.000 1.187 91 E CA -0.086 56.249 56.400 -0.108 0.000 0.941 91 E CB 0.697 30.330 29.700 -0.112 0.000 1.010 91 E HN 0.606 nan 8.360 nan 0.000 0.458 92 N N 0.953 119.597 118.700 -0.092 0.000 2.055 92 N HA -0.271 4.469 4.740 0.000 0.000 0.200 92 N C 0.477 175.930 175.510 -0.095 0.000 1.037 92 N CA 2.535 55.536 53.050 -0.082 0.000 0.881 92 N CB -0.145 38.303 38.487 -0.064 0.000 1.075 92 N HN 0.530 nan 8.380 nan 0.000 0.470 93 S N -1.771 113.865 115.700 -0.107 0.000 2.835 93 S HA 0.279 4.749 4.470 0.000 0.000 0.194 93 S C 0.272 174.759 174.600 -0.189 0.000 1.364 93 S CA -0.701 57.431 58.200 -0.113 0.000 1.167 93 S CB 0.760 63.913 63.200 -0.077 0.000 1.223 93 S HN 0.257 nan 8.310 nan 0.000 0.512 94 T N 0.723 115.078 114.554 -0.331 0.000 3.054 94 T HA 0.225 4.575 4.350 0.000 0.000 0.259 94 T C -0.293 173.938 174.700 -0.782 0.000 1.092 94 T CA 0.566 62.303 62.100 -0.605 0.000 1.121 94 T CB -0.274 68.056 68.868 -0.896 0.000 0.912 94 T HN 0.596 nan 8.240 nan 0.000 0.489 95 F N 2.476 122.325 119.950 -0.169 0.000 2.664 95 F HA 0.406 4.933 4.527 0.000 0.000 0.322 95 F C 0.004 175.766 175.800 -0.063 0.000 1.324 95 F CA -1.778 56.123 58.000 -0.165 0.000 1.154 95 F CB 0.079 38.871 39.000 -0.347 0.000 1.236 95 F HN -0.061 nan 8.300 nan 0.000 0.532 96 D N 0.048 120.497 120.400 0.082 0.000 2.385 96 D HA 0.257 4.897 4.640 0.000 0.000 0.254 96 D C 0.654 177.015 176.300 0.102 0.000 1.053 96 D CA -0.282 53.760 54.000 0.070 0.000 0.992 96 D CB 0.857 41.662 40.800 0.009 0.000 1.145 96 D HN 0.323 nan 8.370 nan 0.000 0.523 97 E N -0.845 119.393 120.200 0.064 0.000 2.971 97 E HA -0.275 4.076 4.350 0.000 0.000 0.278 97 E C 0.300 176.928 176.600 0.047 0.000 1.009 97 E CA 0.149 56.568 56.400 0.031 0.000 0.862 97 E CB -1.533 28.177 29.700 0.018 0.000 1.436 97 E HN 0.406 nan 8.360 nan 0.000 0.434 98 F N 0.301 120.220 119.950 -0.052 0.000 2.746 98 F HA 0.252 4.779 4.527 0.000 0.000 0.297 98 F C 1.878 177.570 175.800 -0.180 0.000 1.113 98 F CA 1.073 59.031 58.000 -0.070 0.000 1.367 98 F CB 0.564 39.536 39.000 -0.046 0.000 1.111 98 F HN 0.145 nan 8.300 nan 0.000 0.590 99 G N 0.822 109.583 108.800 -0.064 0.000 2.256 99 G HA2 -0.309 3.651 3.960 0.000 0.000 0.279 99 G HA3 -0.309 3.651 3.960 0.000 0.000 0.279 99 G C 0.033 174.692 174.900 -0.402 0.000 0.998 99 G CA 0.991 45.941 45.100 -0.251 0.000 0.720 99 G HN 0.521 nan 8.290 nan 0.000 0.521 100 H N -0.980 118.168 119.070 0.131 0.000 2.806 100 H HA 0.531 5.087 4.556 0.000 0.000 0.367 100 H C -0.656 174.688 175.328 0.027 0.000 1.136 100 H CA -0.309 55.782 56.048 0.070 0.000 1.178 100 H CB 1.767 31.436 29.762 -0.155 0.000 1.718 100 H HN 0.098 nan 8.280 nan 0.000 0.540 101 S N 3.327 119.115 115.700 0.148 0.000 2.416 101 S HA 0.197 4.667 4.470 0.000 0.000 0.287 101 S C 0.267 174.870 174.600 0.005 0.000 1.139 101 S CA -0.819 57.407 58.200 0.043 0.000 1.058 101 S CB -0.620 62.613 63.200 0.055 0.000 0.967 101 S HN 0.308 nan 8.310 nan 0.000 0.495 102 I N 6.201 126.691 120.570 -0.133 0.000 2.483 102 I HA 0.024 4.194 4.170 0.000 0.000 0.291 102 I C 1.825 177.905 176.117 -0.063 0.000 1.112 102 I CA 0.269 61.471 61.300 -0.162 0.000 1.350 102 I CB -0.759 37.034 38.000 -0.345 0.000 1.419 102 I HN 0.788 nan 8.210 nan 0.000 0.523 103 N N 4.413 123.104 118.700 -0.014 0.000 2.106 103 N HA -0.113 4.627 4.740 0.000 0.000 0.188 103 N C 0.322 175.802 175.510 -0.051 0.000 1.029 103 N CA 1.154 54.169 53.050 -0.059 0.000 0.848 103 N CB 0.553 38.991 38.487 -0.082 0.000 1.007 103 N HN 0.692 nan 8.380 nan 0.000 0.423 104 D N -2.005 118.392 120.400 -0.004 0.000 2.626 104 D HA 0.251 4.891 4.640 0.000 0.000 0.278 104 D C -1.535 174.828 176.300 0.106 0.000 1.211 104 D CA -0.503 53.516 54.000 0.031 0.000 0.903 104 D CB 1.277 42.071 40.800 -0.010 0.000 1.408 104 D HN 0.170 nan 8.370 nan 0.000 0.454 105 Y N -1.255 119.060 120.300 0.024 0.000 2.581 105 Y HA 0.744 5.294 4.550 0.000 0.000 0.345 105 Y C -1.231 174.745 175.900 0.126 0.000 1.036 105 Y CA -0.993 57.142 58.100 0.057 0.000 1.042 105 Y CB 1.797 40.277 38.460 0.033 0.000 1.289 105 Y HN 0.143 nan 8.280 nan 0.000 0.471 106 S N 3.075 118.914 115.700 0.231 0.000 2.720 106 S HA 0.603 5.074 4.470 0.000 0.000 0.278 106 S C -1.482 173.438 174.600 0.533 0.000 1.172 106 S CA -0.574 57.772 58.200 0.243 0.000 1.019 106 S CB 0.155 63.493 63.200 0.229 0.000 1.049 106 S HN 0.698 nan 8.310 nan 0.000 0.483 107 I N 4.303 125.084 120.570 0.353 0.000 2.396 107 I HA 0.314 4.484 4.170 0.000 0.000 0.292 107 I C 0.928 176.925 176.117 -0.200 0.000 0.999 107 I CA -0.621 60.793 61.300 0.190 0.000 1.310 107 I CB 1.828 39.889 38.000 0.102 0.000 1.404 107 I HN 0.748 nan 8.210 nan 0.000 0.496 108 S N 5.389 120.657 115.700 -0.720 0.000 2.563 108 S HA 0.104 4.574 4.470 0.000 0.000 0.284 108 S C -1.886 172.452 174.600 -0.437 0.000 1.331 108 S CA -0.879 56.592 58.200 -1.214 0.000 1.047 108 S CB 0.561 62.995 63.200 -1.276 0.000 0.859 108 S HN 0.426 nan 8.310 nan 0.000 0.514 109 P HA -0.163 nan 4.420 nan 0.000 0.215 109 P C 0.790 178.046 177.300 -0.075 0.000 1.157 109 P CA 1.702 64.735 63.100 -0.112 0.000 0.874 109 P CB -0.204 31.448 31.700 -0.081 0.000 0.790 110 D N -1.570 118.780 120.400 -0.084 0.000 2.338 110 D HA 0.059 4.700 4.640 0.000 0.000 0.239 110 D C 1.258 177.535 176.300 -0.039 0.000 1.095 110 D CA 0.514 54.495 54.000 -0.030 0.000 0.888 110 D CB -1.496 39.315 40.800 0.018 0.000 0.899 110 D HN 0.181 nan 8.370 nan 0.000 0.525 111 G N 0.379 109.147 108.800 -0.052 0.000 2.309 111 G HA2 -0.424 3.536 3.960 0.000 0.000 0.286 111 G HA3 -0.424 3.536 3.960 0.000 0.000 0.286 111 G C 0.831 175.719 174.900 -0.021 0.000 1.002 111 G CA 0.910 46.032 45.100 0.036 0.000 0.786 111 G HN 0.517 nan 8.290 nan 0.000 0.511 112 Q N -1.889 117.783 119.800 -0.213 0.000 2.376 112 Q HA 0.369 4.709 4.340 0.000 0.000 0.206 112 Q C 0.266 175.816 176.000 -0.750 0.000 0.921 112 Q CA 0.531 56.019 55.803 -0.525 0.000 0.911 112 Q CB 0.542 28.814 28.738 -0.777 0.000 1.032 112 Q HN 0.571 nan 8.270 nan 0.000 0.510 113 F N -0.288 119.589 119.950 -0.121 0.000 2.603 113 F HA 0.537 5.064 4.527 0.000 0.000 0.317 113 F C -0.630 175.254 175.800 0.139 0.000 1.066 113 F CA -1.292 56.708 58.000 -0.000 0.000 0.941 113 F CB 1.783 40.792 39.000 0.015 0.000 1.291 113 F HN -0.213 nan 8.300 nan 0.000 0.472 114 I N 2.845 123.777 120.570 0.603 0.000 2.499 114 I HA 0.451 4.621 4.170 0.000 0.000 0.288 114 I C -1.840 174.652 176.117 0.624 0.000 1.048 114 I CA -1.025 60.637 61.300 0.604 0.000 1.062 114 I CB 1.453 39.794 38.000 0.568 0.000 1.238 114 I HN 0.518 nan 8.210 nan 0.000 0.426 115 L N 8.339 129.947 121.223 0.640 0.000 2.305 115 L HA 0.502 4.842 4.340 0.000 0.000 0.281 115 L C -1.258 175.778 176.870 0.277 0.000 1.085 115 L CA 0.082 55.147 54.840 0.375 0.000 0.813 115 L CB 1.032 43.180 42.059 0.149 0.000 1.157 115 L HN 0.494 nan 8.230 nan 0.000 0.436 116 L N 5.009 126.355 121.223 0.205 0.000 2.322 116 L HA 0.533 4.873 4.340 0.000 0.000 0.281 116 L C -0.281 176.672 176.870 0.139 0.000 1.014 116 L CA -0.495 54.395 54.840 0.082 0.000 0.815 116 L CB 1.728 43.706 42.059 -0.134 0.000 1.247 116 L HN 0.629 nan 8.230 nan 0.000 0.421 117 E N 3.688 123.919 120.200 0.051 0.000 2.176 117 E HA 0.502 4.852 4.350 0.000 0.000 0.267 117 E C -1.723 174.869 176.600 -0.013 0.000 0.893 117 E CA -0.466 55.829 56.400 -0.174 0.000 0.761 117 E CB 1.462 31.119 29.700 -0.073 0.000 1.133 117 E HN 0.458 nan 8.360 nan 0.000 0.409 118 Y N 1.428 121.562 120.300 -0.277 0.000 2.840 118 Y HA 0.443 4.993 4.550 0.000 0.000 0.324 118 Y C -0.176 175.646 175.900 -0.130 0.000 1.378 118 Y CA -1.511 56.504 58.100 -0.142 0.000 1.077 118 Y CB 0.277 38.684 38.460 -0.088 0.000 1.361 118 Y HN 0.493 nan 8.280 nan 0.000 0.459 119 N N -0.719 118.013 118.700 0.053 0.000 2.735 119 N HA -0.293 4.447 4.740 0.000 0.000 0.248 119 N C -0.956 174.533 175.510 -0.035 0.000 1.083 119 N CA 0.907 53.940 53.050 -0.029 0.000 0.703 119 N CB -1.694 36.665 38.487 -0.213 0.000 1.005 119 N HN 0.835 nan 8.380 nan 0.000 0.550 120 Y N -0.012 120.227 120.300 -0.100 0.000 2.702 120 Y HA 0.194 4.744 4.550 0.000 0.000 0.336 120 Y C 0.490 176.363 175.900 -0.045 0.000 1.235 120 Y CA 0.415 58.457 58.100 -0.097 0.000 1.492 120 Y CB 0.693 39.061 38.460 -0.153 0.000 1.308 120 Y HN -0.008 nan 8.280 nan 0.000 0.589 121 V N 7.456 127.181 119.914 -0.315 0.000 2.555 121 V HA 0.137 4.258 4.120 0.000 0.000 0.283 121 V C -0.459 175.485 176.094 -0.250 0.000 1.020 121 V CA -1.399 60.813 62.300 -0.148 0.000 0.883 121 V CB 1.253 33.014 31.823 -0.103 0.000 1.030 121 V HN 0.726 nan 8.190 nan 0.000 0.448 122 K N 3.461 123.812 120.400 -0.081 0.000 2.485 122 K HA 0.157 4.477 4.320 0.000 0.000 0.277 122 K C 0.494 177.018 176.600 -0.127 0.000 0.990 122 K CA 0.490 56.766 56.287 -0.018 0.000 0.994 122 K CB 1.156 33.755 32.500 0.165 0.000 0.906 122 K HN 0.795 nan 8.250 nan 0.000 0.488 123 Q N 3.174 122.848 119.800 -0.210 0.000 2.729 123 Q HA 0.181 4.522 4.340 0.000 0.000 0.228 123 Q C -0.079 175.699 176.000 -0.369 0.000 1.021 123 Q CA -0.427 55.038 55.803 -0.564 0.000 0.561 123 Q CB 0.113 28.344 28.738 -0.845 0.000 3.921 123 Q HN 0.732 nan 8.270 nan 0.000 0.430 124 W N 0.244 121.555 121.300 0.018 0.000 1.945 124 W HA 0.298 4.958 4.660 0.000 0.000 0.606 124 W C 1.761 178.285 176.519 0.007 0.000 1.803 124 W CA -0.481 56.903 57.345 0.064 0.000 1.990 124 W CB -0.066 29.391 29.460 -0.004 0.000 2.848 124 W HN 0.358 nan 8.180 nan 0.000 0.771 125 R N -0.413 120.214 120.500 0.210 0.000 2.120 125 R HA -0.139 4.201 4.340 0.000 0.000 0.234 125 R C 1.254 177.412 176.300 -0.237 0.000 1.123 125 R CA 2.245 58.290 56.100 -0.092 0.000 0.975 125 R CB -0.439 29.676 30.300 -0.309 0.000 0.866 125 R HN 0.582 nan 8.270 nan 0.000 0.446 126 H N -1.346 117.809 119.070 0.141 0.000 3.091 126 H HA 0.270 4.826 4.556 0.000 0.000 0.249 126 H C 0.235 175.665 175.328 0.171 0.000 0.985 126 H CA 0.237 56.387 56.048 0.171 0.000 1.177 126 H CB 0.559 30.399 29.762 0.129 0.000 1.456 126 H HN 0.179 nan 8.280 nan 0.000 0.467 127 S N 1.056 116.772 115.700 0.026 0.000 2.585 127 S HA 0.332 4.803 4.470 0.000 0.000 0.273 127 S C -0.523 173.951 174.600 -0.209 0.000 1.339 127 S CA -0.489 57.416 58.200 -0.492 0.000 1.028 127 S CB 0.521 62.926 63.200 -1.326 0.000 0.906 127 S HN 0.453 nan 8.310 nan 0.000 0.528 128 Y N -2.511 117.596 120.300 -0.321 0.000 2.638 128 Y HA 0.617 5.167 4.550 0.000 0.000 0.334 128 Y C -0.774 175.023 175.900 -0.172 0.000 1.182 128 Y CA -0.932 56.966 58.100 -0.336 0.000 1.102 128 Y CB 0.748 38.871 38.460 -0.561 0.000 1.343 128 Y HN 0.789 nan 8.280 nan 0.000 0.463 129 T N 1.450 115.974 114.554 -0.049 0.000 2.895 129 T HA 0.948 5.298 4.350 0.000 0.000 0.283 129 T C -0.624 174.080 174.700 0.007 0.000 1.014 129 T CA 0.298 62.400 62.100 0.004 0.000 1.037 129 T CB 0.944 69.797 68.868 -0.025 0.000 1.006 129 T HN 1.695 nan 8.240 nan 0.000 0.468 130 A N 2.553 125.391 122.820 0.029 0.000 2.581 130 A HA 0.740 5.060 4.320 0.000 0.000 0.290 130 A C -0.606 176.748 177.584 -0.383 0.000 1.119 130 A CA -0.829 51.099 52.037 -0.181 0.000 0.670 130 A CB 1.296 20.184 19.000 -0.187 0.000 1.280 130 A HN 0.775 nan 8.150 nan 0.000 0.425 131 S N -0.466 114.782 115.700 -0.753 0.000 2.565 131 S HA 0.767 5.237 4.470 0.000 0.000 0.290 131 S C -1.426 172.462 174.600 -1.186 0.000 1.150 131 S CA 0.006 57.650 58.200 -0.927 0.000 1.058 131 S CB 0.471 62.805 63.200 -1.445 0.000 1.032 131 S HN 0.430 nan 8.310 nan 0.000 0.510 132 Y N 0.318 120.368 120.300 -0.417 0.000 2.553 132 Y HA 0.560 5.111 4.550 0.000 0.000 0.347 132 Y C -0.220 175.654 175.900 -0.042 0.000 1.019 132 Y CA -0.912 57.070 58.100 -0.198 0.000 1.032 132 Y CB 1.917 40.220 38.460 -0.262 0.000 1.284 132 Y HN 0.499 nan 8.280 nan 0.000 0.466 133 D N 1.549 122.101 120.400 0.254 0.000 2.655 133 D HA 0.514 5.154 4.640 0.000 0.000 0.229 133 D C -1.224 175.211 176.300 0.226 0.000 1.229 133 D CA -0.350 53.792 54.000 0.236 0.000 0.807 133 D CB 2.810 43.834 40.800 0.374 0.000 1.514 133 D HN 0.386 nan 8.370 nan 0.000 0.444 134 I N 1.477 122.171 120.570 0.207 0.000 2.474 134 I HA 0.287 4.457 4.170 0.000 0.000 0.294 134 I C -1.074 175.281 176.117 0.396 0.000 1.005 134 I CA -0.968 60.498 61.300 0.277 0.000 1.113 134 I CB 1.758 39.854 38.000 0.160 0.000 1.289 134 I HN 0.237 nan 8.210 nan 0.000 0.436 135 Y N 5.420 125.926 120.300 0.343 0.000 2.328 135 Y HA 0.297 4.847 4.550 0.000 0.000 0.337 135 Y C -0.271 175.863 175.900 0.389 0.000 0.966 135 Y CA -0.901 57.414 58.100 0.358 0.000 1.136 135 Y CB 1.102 39.823 38.460 0.435 0.000 1.170 135 Y HN 0.482 nan 8.280 nan 0.000 0.470 136 D N 6.485 126.803 120.400 -0.138 0.000 2.336 136 D HA 0.091 4.731 4.640 0.000 0.000 0.249 136 D C 0.723 176.686 176.300 -0.562 0.000 1.213 136 D CA 0.265 54.176 54.000 -0.149 0.000 0.870 136 D CB 1.012 41.789 40.800 -0.039 0.000 1.076 136 D HN 0.880 nan 8.370 nan 0.000 0.483 137 L N 3.759 124.744 121.223 -0.396 0.000 2.156 137 L HA -0.109 4.231 4.340 0.000 0.000 0.208 137 L C 2.211 178.891 176.870 -0.317 0.000 1.095 137 L CA 0.338 54.982 54.840 -0.327 0.000 0.770 137 L CB -0.287 41.653 42.059 -0.198 0.000 0.914 137 L HN 0.401 nan 8.230 nan 0.000 0.439 138 N N 1.404 119.900 118.700 -0.339 0.000 2.043 138 N HA -0.192 4.548 4.740 0.000 0.000 0.193 138 N C 1.439 176.829 175.510 -0.199 0.000 1.037 138 N CA 1.631 54.525 53.050 -0.259 0.000 0.851 138 N CB -0.131 38.194 38.487 -0.269 0.000 1.027 138 N HN 0.516 nan 8.380 nan 0.000 0.422 139 K N 0.577 120.856 120.400 -0.202 0.000 2.397 139 K HA 0.228 4.548 4.320 0.000 0.000 0.202 139 K C -0.303 176.202 176.600 -0.158 0.000 1.022 139 K CA -0.292 55.909 56.287 -0.143 0.000 1.141 139 K CB 0.594 33.036 32.500 -0.096 0.000 0.857 139 K HN -0.199 nan 8.250 nan 0.000 0.514 140 R N 1.123 121.467 120.500 -0.259 0.000 3.484 140 R HA -0.197 4.143 4.340 0.000 0.000 0.260 140 R C -0.822 175.402 176.300 -0.126 0.000 1.053 140 R CA 0.902 56.863 56.100 -0.232 0.000 0.703 140 R CB -2.808 27.486 30.300 -0.010 0.000 1.089 140 R HN 0.648 nan 8.270 nan 0.000 0.459 141 Q N -0.504 119.128 119.800 -0.280 0.000 2.359 141 Q HA 0.629 4.969 4.340 0.000 0.000 0.275 141 Q C -0.597 175.460 176.000 0.096 0.000 1.082 141 Q CA -1.286 54.521 55.803 0.007 0.000 0.849 141 Q CB 1.887 30.628 28.738 0.006 0.000 1.377 141 Q HN 0.106 nan 8.270 nan 0.000 0.452 142 L N 1.826 123.228 121.223 0.298 0.000 2.282 142 L HA 0.424 4.764 4.340 0.000 0.000 0.288 142 L C -0.915 176.072 176.870 0.195 0.000 1.033 142 L CA -0.107 54.957 54.840 0.373 0.000 0.807 142 L CB 1.061 43.342 42.059 0.371 0.000 1.209 142 L HN 0.532 nan 8.230 nan 0.000 0.423 143 I N 4.587 125.264 120.570 0.179 0.000 2.505 143 I HA 0.049 4.219 4.170 0.000 0.000 0.287 143 I C 1.144 177.301 176.117 0.067 0.000 1.104 143 I CA 0.341 61.702 61.300 0.100 0.000 1.387 143 I CB 0.743 38.789 38.000 0.077 0.000 1.404 143 I HN 0.817 nan 8.210 nan 0.000 0.528 144 T N 1.281 115.859 114.554 0.040 0.000 3.014 144 T HA 0.089 4.439 4.350 0.000 0.000 0.250 144 T C 0.561 175.255 174.700 -0.010 0.000 1.060 144 T CA -0.396 61.712 62.100 0.014 0.000 1.040 144 T CB -0.013 68.862 68.868 0.012 0.000 0.971 144 T HN 0.672 nan 8.240 nan 0.000 0.497 145 E N 1.544 121.738 120.200 -0.010 0.000 2.277 145 E HA 0.297 4.647 4.350 0.000 0.000 0.274 145 E C -0.498 176.075 176.600 -0.045 0.000 1.022 145 E CA -0.731 55.654 56.400 -0.025 0.000 0.853 145 E CB 0.532 30.223 29.700 -0.015 0.000 1.086 145 E HN 0.052 nan 8.360 nan 0.000 0.397 146 E N 0.824 120.988 120.200 -0.061 0.000 2.660 146 E HA -0.238 4.113 4.350 0.000 0.000 0.260 146 E C -0.512 176.013 176.600 -0.124 0.000 1.122 146 E CA 0.838 57.187 56.400 -0.084 0.000 0.755 146 E CB -1.491 28.171 29.700 -0.063 0.000 1.345 146 E HN 0.653 nan 8.360 nan 0.000 0.421 147 R N -0.002 120.422 120.500 -0.128 0.000 2.740 147 R HA 0.126 4.466 4.340 0.000 0.000 0.263 147 R C 1.219 177.349 176.300 -0.284 0.000 0.997 147 R CA 0.214 56.215 56.100 -0.166 0.000 1.108 147 R CB 0.236 30.461 30.300 -0.126 0.000 0.969 147 R HN 0.113 nan 8.270 nan 0.000 0.431 148 I N 3.081 123.427 120.570 -0.374 0.000 2.634 148 I HA 0.069 4.239 4.170 0.000 0.000 0.284 148 I C -1.724 174.077 176.117 -0.527 0.000 1.124 148 I CA -1.898 59.022 61.300 -0.632 0.000 1.417 148 I CB 0.548 38.075 38.000 -0.788 0.000 1.396 148 I HN 0.264 nan 8.210 nan 0.000 0.571 149 P HA 0.031 nan 4.420 nan 0.000 0.269 149 P C -0.782 176.255 177.300 -0.439 0.000 1.215 149 P CA -0.153 62.490 63.100 -0.762 0.000 0.780 149 P CB 0.353 31.023 31.700 -1.717 0.000 0.898 150 N N 2.728 121.272 118.700 -0.260 0.000 2.503 150 N HA 0.046 4.786 4.740 0.000 0.000 0.267 150 N C 0.184 175.742 175.510 0.080 0.000 1.214 150 N CA 0.228 53.209 53.050 -0.114 0.000 0.959 150 N CB -0.032 38.399 38.487 -0.093 0.000 1.142 150 N HN 0.406 nan 8.380 nan 0.000 0.455 151 N N -0.748 117.996 118.700 0.075 0.000 2.815 151 N HA -0.140 4.600 4.740 0.000 0.000 0.249 151 N C -0.835 174.861 175.510 0.311 0.000 1.114 151 N CA 0.647 53.795 53.050 0.164 0.000 0.717 151 N CB -1.886 36.723 38.487 0.203 0.000 1.074 151 N HN 0.471 nan 8.380 nan 0.000 0.555 152 T N 0.817 115.547 114.554 0.292 0.000 2.901 152 T HA 0.116 4.467 4.350 0.000 0.000 0.301 152 T C 1.734 176.596 174.700 0.270 0.000 1.012 152 T CA 0.048 62.360 62.100 0.353 0.000 1.135 152 T CB 1.087 70.069 68.868 0.190 0.000 0.936 152 T HN 0.164 nan 8.240 nan 0.000 0.539 153 Q N 1.714 121.661 119.800 0.246 0.000 2.331 153 Q HA 0.134 4.474 4.340 0.000 0.000 0.203 153 Q C 0.139 176.290 176.000 0.252 0.000 0.944 153 Q CA 0.443 56.400 55.803 0.256 0.000 0.892 153 Q CB 0.684 29.544 28.738 0.204 0.000 0.983 153 Q HN 0.696 nan 8.270 nan 0.000 0.482 154 W N -0.305 120.943 121.300 -0.087 0.000 3.700 154 W HA 0.389 5.049 4.660 0.000 0.000 0.279 154 W C -2.449 173.957 176.519 -0.188 0.000 1.270 154 W CA -0.585 56.656 57.345 -0.173 0.000 1.216 154 W CB 0.947 30.255 29.460 -0.253 0.000 1.292 154 W HN -0.365 nan 8.180 nan 0.000 0.557 155 V N 3.563 122.716 119.914 -1.268 0.000 2.808 155 V HA 0.700 4.820 4.120 0.000 0.000 0.308 155 V C -0.204 175.262 176.094 -1.046 0.000 1.099 155 V CA -0.655 61.050 62.300 -0.991 0.000 0.920 155 V CB 1.928 33.075 31.823 -1.127 0.000 1.014 155 V HN 0.510 nan 8.190 nan 0.000 0.425 156 T N -0.607 113.648 114.554 -0.498 0.000 2.993 156 T HA 0.575 4.925 4.350 0.000 0.000 0.312 156 T C -1.016 173.696 174.700 0.020 0.000 1.115 156 T CA -0.609 61.382 62.100 -0.181 0.000 1.027 156 T CB 1.014 70.019 68.868 0.227 0.000 1.116 156 T HN 0.502 nan 8.240 nan 0.000 0.464 157 W N 2.225 123.526 121.300 0.001 0.000 2.126 157 W HA 0.467 5.127 4.660 0.000 0.000 0.346 157 W C 1.168 177.485 176.519 -0.337 0.000 1.279 157 W CA -0.579 56.712 57.345 -0.090 0.000 1.259 157 W CB 0.786 30.213 29.460 -0.055 0.000 1.133 157 W HN 0.899 nan 8.180 nan 0.000 0.592 158 S N 1.893 117.315 115.700 -0.463 0.000 2.603 158 S HA 0.164 4.634 4.470 0.000 0.000 0.268 158 S C -1.423 172.904 174.600 -0.455 0.000 1.317 158 S CA -1.123 56.305 58.200 -1.286 0.000 1.012 158 S CB 1.086 63.383 63.200 -1.506 0.000 0.926 158 S HN 0.398 nan 8.310 nan 0.000 0.539 159 P HA -0.006 nan 4.420 nan 0.000 0.223 159 P C -0.061 177.185 177.300 -0.090 0.000 1.144 159 P CA 0.758 63.806 63.100 -0.087 0.000 0.783 159 P CB -0.025 31.669 31.700 -0.009 0.000 0.771 160 V N -1.671 118.145 119.914 -0.164 0.000 2.925 160 V HA 0.625 4.745 4.120 0.000 0.000 0.311 160 V C 0.832 176.821 176.094 -0.174 0.000 1.104 160 V CA 0.042 62.266 62.300 -0.125 0.000 0.954 160 V CB 1.134 32.900 31.823 -0.095 0.000 1.022 160 V HN 0.424 nan 8.190 nan 0.000 0.427 161 G N 2.639 111.362 108.800 -0.128 0.000 2.531 161 G HA2 -0.225 3.735 3.960 0.000 0.000 0.274 161 G HA3 -0.225 3.735 3.960 0.000 0.000 0.274 161 G C 0.232 175.064 174.900 -0.112 0.000 1.159 161 G CA 0.679 45.687 45.100 -0.153 0.000 0.969 161 G HN 1.810 nan 8.290 nan 0.000 0.554 162 H N -0.288 118.767 119.070 -0.025 0.000 3.109 162 H HA 0.393 4.949 4.556 0.000 0.000 0.248 162 H C 0.520 176.000 175.328 0.254 0.000 1.177 162 H CA 0.014 56.077 56.048 0.025 0.000 0.977 162 H CB -0.116 29.768 29.762 0.204 0.000 2.165 162 H HN 0.524 nan 8.280 nan 0.000 0.693 163 K N 1.567 121.965 120.400 -0.004 0.000 2.336 163 K HA 0.376 4.696 4.320 0.000 0.000 0.262 163 K C -0.373 176.349 176.600 0.203 0.000 0.992 163 K CA -0.019 56.285 56.287 0.028 0.000 0.927 163 K CB 1.247 33.589 32.500 -0.263 0.000 0.956 163 K HN 0.140 nan 8.250 nan 0.000 0.495 164 L N 0.777 122.144 121.223 0.239 0.000 2.422 164 L HA 0.573 4.913 4.340 0.000 0.000 0.264 164 L C -1.180 175.912 176.870 0.369 0.000 0.984 164 L CA -0.832 54.116 54.840 0.180 0.000 0.819 164 L CB 2.194 44.203 42.059 -0.082 0.000 1.330 164 L HN 0.728 nan 8.230 nan 0.000 0.410 165 A N 2.638 125.667 122.820 0.348 0.000 2.398 165 A HA 0.819 5.139 4.320 0.000 0.000 0.301 165 A C -1.738 175.911 177.584 0.109 0.000 1.041 165 A CA -0.370 51.788 52.037 0.201 0.000 0.711 165 A CB 1.357 20.407 19.000 0.082 0.000 1.240 165 A HN 0.628 nan 8.150 nan 0.000 0.420 166 Y N -0.572 119.686 120.300 -0.070 0.000 2.588 166 Y HA 0.764 5.314 4.550 0.000 0.000 0.343 166 Y C -1.209 174.703 175.900 0.021 0.000 1.065 166 Y CA -1.655 56.374 58.100 -0.118 0.000 1.038 166 Y CB 1.097 39.408 38.460 -0.249 0.000 1.297 166 Y HN 0.388 nan 8.280 nan 0.000 0.467 167 V N 2.467 122.467 119.914 0.144 0.000 2.417 167 V HA 0.354 4.474 4.120 0.000 0.000 0.291 167 V C -1.395 174.864 176.094 0.276 0.000 1.024 167 V CA -0.539 61.824 62.300 0.104 0.000 0.861 167 V CB 1.222 33.041 31.823 -0.007 0.000 0.985 167 V HN 0.866 nan 8.190 nan 0.000 0.436 168 W N 5.088 126.439 121.300 0.084 0.000 2.900 168 W HA 0.463 5.123 4.660 0.000 0.000 0.336 168 W C 0.337 176.886 176.519 0.050 0.000 1.064 168 W CA -0.875 56.504 57.345 0.056 0.000 1.237 168 W CB 1.207 30.657 29.460 -0.016 0.000 1.391 168 W HN 0.787 nan 8.180 nan 0.000 0.468 169 N N 5.271 123.539 118.700 -0.719 0.000 2.735 169 N HA -0.344 4.396 4.740 0.000 0.000 0.248 169 N C 0.119 175.431 175.510 -0.330 0.000 1.083 169 N CA 1.009 53.647 53.050 -0.687 0.000 0.703 169 N CB -1.164 36.685 38.487 -1.063 0.000 1.005 169 N HN 0.845 nan 8.380 nan 0.000 0.550 170 N N -1.861 116.718 118.700 -0.202 0.000 2.828 170 N HA -0.165 4.575 4.740 0.000 0.000 0.248 170 N C -1.353 174.069 175.510 -0.146 0.000 1.044 170 N CA 1.005 53.965 53.050 -0.151 0.000 0.851 170 N CB -0.364 37.990 38.487 -0.222 0.000 1.136 170 N HN 0.403 nan 8.380 nan 0.000 0.572 171 D N 0.513 120.837 120.400 -0.128 0.000 2.457 171 D HA 0.486 5.126 4.640 0.000 0.000 0.240 171 D C 0.058 176.201 176.300 -0.262 0.000 1.041 171 D CA -0.388 53.469 54.000 -0.238 0.000 0.861 171 D CB 1.607 42.232 40.800 -0.292 0.000 1.394 171 D HN 0.031 nan 8.370 nan 0.000 0.473 172 I N 1.939 122.186 120.570 -0.538 0.000 2.428 172 I HA 0.205 4.375 4.170 0.000 0.000 0.289 172 I C -0.619 174.999 176.117 -0.832 0.000 1.019 172 I CA -0.309 60.648 61.300 -0.571 0.000 1.351 172 I CB 0.471 38.056 38.000 -0.691 0.000 1.412 172 I HN 0.160 nan 8.210 nan 0.000 0.513 173 Y N 4.201 124.106 120.300 -0.657 0.000 2.512 173 Y HA 0.655 5.205 4.550 0.000 0.000 0.348 173 Y C -0.340 175.259 175.900 -0.501 0.000 0.990 173 Y CA -0.933 56.749 58.100 -0.695 0.000 1.033 173 Y CB 2.045 39.786 38.460 -1.199 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 2.580 122.458 119.914 -0.059 0.000 2.709 174 V HA 0.460 4.580 4.120 0.000 0.000 0.308 174 V C -0.879 175.382 176.094 0.278 0.000 1.062 174 V CA -1.396 60.966 62.300 0.104 0.000 0.901 174 V CB 2.112 33.968 31.823 0.055 0.000 1.003 174 V HN 0.613 nan 8.190 nan 0.000 0.425 175 K N 3.997 124.567 120.400 0.284 0.000 2.425 175 K HA 0.492 4.812 4.320 0.000 0.000 0.259 175 K C 0.409 177.157 176.600 0.246 0.000 0.978 175 K CA -0.710 55.735 56.287 0.264 0.000 0.883 175 K CB 1.642 34.252 32.500 0.184 0.000 1.110 175 K HN 0.457 nan 8.250 nan 0.000 0.436 176 I N 1.359 122.092 120.570 0.271 0.000 2.315 176 I HA -0.104 4.066 4.170 0.000 0.000 0.248 176 I C 0.402 176.643 176.117 0.206 0.000 1.117 176 I CA 1.547 62.968 61.300 0.202 0.000 1.404 176 I CB -0.231 37.892 38.000 0.205 0.000 1.071 176 I HN 0.556 nan 8.210 nan 0.000 0.419 177 E N -0.468 119.851 120.200 0.198 0.000 2.272 177 E HA 0.274 4.624 4.350 0.000 0.000 0.269 177 E C -1.921 174.691 176.600 0.020 0.000 0.877 177 E CA -1.938 54.565 56.400 0.172 0.000 0.755 177 E CB 1.878 31.673 29.700 0.159 0.000 1.192 177 E HN -0.165 nan 8.360 nan 0.000 0.422 178 P HA -0.186 nan 4.420 nan 0.000 0.217 178 P C 0.861 178.084 177.300 -0.128 0.000 1.148 178 P CA 1.419 64.373 63.100 -0.243 0.000 0.828 178 P CB 0.305 31.625 31.700 -0.634 0.000 0.783 179 N N -1.212 117.438 118.700 -0.083 0.000 2.353 179 N HA -0.008 4.732 4.740 0.000 0.000 0.185 179 N C 0.256 175.760 175.510 -0.011 0.000 1.098 179 N CA 0.285 53.319 53.050 -0.028 0.000 0.872 179 N CB -0.516 37.975 38.487 0.007 0.000 0.970 179 N HN 0.168 nan 8.380 nan 0.000 0.467 180 L N 1.447 122.672 121.223 0.002 0.000 2.399 180 L HA 0.453 4.794 4.340 0.000 0.000 0.265 180 L C -2.030 174.831 176.870 -0.014 0.000 1.089 180 L CA -2.206 52.639 54.840 0.008 0.000 0.802 180 L CB 1.162 43.249 42.059 0.047 0.000 1.180 180 L HN -0.095 nan 8.230 nan 0.000 0.454 181 P HA 0.039 nan 4.420 nan 0.000 0.268 181 P C -0.978 176.254 177.300 -0.112 0.000 1.205 181 P CA -0.271 62.777 63.100 -0.087 0.000 0.771 181 P CB 0.716 32.345 31.700 -0.117 0.000 0.858 182 S N 2.116 117.802 115.700 -0.024 0.000 2.586 182 S HA 0.353 4.823 4.470 0.000 0.000 0.274 182 S C -0.355 174.255 174.600 0.017 0.000 1.281 182 S CA -0.463 57.787 58.200 0.083 0.000 1.035 182 S CB -0.019 63.325 63.200 0.240 0.000 0.962 182 S HN 0.274 nan 8.310 nan 0.000 0.512 183 Y N 1.067 121.390 120.300 0.039 0.000 2.327 183 Y HA 0.364 4.914 4.550 0.000 0.000 0.336 183 Y C 0.997 176.775 175.900 -0.205 0.000 1.035 183 Y CA -0.710 57.372 58.100 -0.030 0.000 1.165 183 Y CB 0.603 39.047 38.460 -0.028 0.000 1.181 183 Y HN 0.528 nan 8.280 nan 0.000 0.494 184 R N 4.142 124.496 120.500 -0.243 0.000 2.298 184 R HA 0.192 4.533 4.340 0.000 0.000 0.310 184 R C 0.248 176.069 176.300 -0.799 0.000 1.068 184 R CA -0.065 55.478 56.100 -0.930 0.000 0.957 184 R CB 0.408 29.975 30.300 -1.222 0.000 1.003 184 R HN 0.792 nan 8.270 nan 0.000 0.454 185 I N 2.157 122.255 120.570 -0.787 0.000 2.585 185 I HA -0.048 4.123 4.170 0.000 0.000 0.254 185 I C 1.265 177.100 176.117 -0.470 0.000 1.129 185 I CA 0.973 61.972 61.300 -0.501 0.000 1.455 185 I CB -0.679 37.027 38.000 -0.491 0.000 1.111 185 I HN 0.585 nan 8.210 nan 0.000 0.433 186 T N -3.795 110.364 114.554 -0.659 0.000 2.924 186 T HA 0.353 4.704 4.350 0.000 0.000 0.291 186 T C -0.227 174.189 174.700 -0.473 0.000 1.045 186 T CA -0.520 61.331 62.100 -0.416 0.000 1.015 186 T CB 2.385 71.001 68.868 -0.420 0.000 1.103 186 T HN 0.225 nan 8.240 nan 0.000 0.496 187 W N 1.291 122.476 121.300 -0.193 0.000 2.499 187 W HA 0.170 4.830 4.660 0.000 0.000 0.362 187 W C 1.115 177.573 176.519 -0.101 0.000 0.945 187 W CA -0.097 57.169 57.345 -0.132 0.000 1.721 187 W CB 0.618 30.021 29.460 -0.096 0.000 1.156 187 W HN 0.989 nan 8.180 nan 0.000 0.547 188 T N -3.098 111.482 114.554 0.043 0.000 3.054 188 T HA 0.204 4.554 4.350 0.000 0.000 0.255 188 T C 1.163 175.845 174.700 -0.029 0.000 1.035 188 T CA 0.012 62.126 62.100 0.023 0.000 0.941 188 T CB 0.448 69.331 68.868 0.026 0.000 1.026 188 T HN -0.028 nan 8.240 nan 0.000 0.533 189 G N 1.506 110.256 108.800 -0.084 0.000 2.224 189 G HA2 0.313 4.273 3.960 0.000 0.000 0.239 189 G HA3 0.313 4.273 3.960 0.000 0.000 0.239 189 G C -0.542 174.278 174.900 -0.133 0.000 1.240 189 G CA -0.262 44.763 45.100 -0.125 0.000 0.896 189 G HN 0.536 nan 8.290 nan 0.000 0.496 190 K N 2.282 122.579 120.400 -0.173 0.000 2.656 190 K HA 0.151 4.472 4.320 0.000 0.000 0.253 190 K C -0.008 176.447 176.600 -0.242 0.000 1.002 190 K CA -0.633 55.557 56.287 -0.162 0.000 0.880 190 K CB 1.262 33.708 32.500 -0.090 0.000 1.232 190 K HN 0.686 nan 8.250 nan 0.000 0.456 191 E N 3.470 123.534 120.200 -0.226 0.000 2.829 191 E HA -0.200 4.150 4.350 0.000 0.000 0.264 191 E C -0.498 175.996 176.600 -0.176 0.000 0.922 191 E CA 1.196 57.464 56.400 -0.221 0.000 0.960 191 E CB 0.265 29.881 29.700 -0.140 0.000 0.918 191 E HN 0.686 nan 8.360 nan 0.000 0.497 192 D N 2.247 122.541 120.400 -0.176 0.000 3.006 192 D HA -0.243 4.397 4.640 0.000 0.000 0.208 192 D C 0.601 176.938 176.300 0.062 0.000 1.116 192 D CA 1.392 55.419 54.000 0.046 0.000 0.998 192 D CB -0.438 40.411 40.800 0.082 0.000 1.124 192 D HN 0.415 nan 8.370 nan 0.000 0.413 193 I N -0.917 119.588 120.570 -0.109 0.000 3.623 193 I HA 0.104 4.274 4.170 0.000 0.000 0.253 193 I C 0.762 176.922 176.117 0.072 0.000 1.144 193 I CA 0.404 61.720 61.300 0.026 0.000 1.461 193 I CB 0.128 38.125 38.000 -0.005 0.000 1.575 193 I HN -0.147 nan 8.210 nan 0.000 0.445 194 I N 1.519 122.036 120.570 -0.088 0.000 2.406 194 I HA 0.296 4.466 4.170 0.000 0.000 0.290 194 I C -1.244 174.819 176.117 -0.090 0.000 0.999 194 I CA -0.664 60.660 61.300 0.039 0.000 1.124 194 I CB 0.987 39.004 38.000 0.028 0.000 1.289 194 I HN 0.040 nan 8.210 nan 0.000 0.441 195 Y N 4.460 124.845 120.300 0.141 0.000 2.331 195 Y HA 0.435 4.986 4.550 0.000 0.000 0.334 195 Y C 0.268 176.227 175.900 0.098 0.000 0.960 195 Y CA -0.851 57.330 58.100 0.135 0.000 1.130 195 Y CB 1.270 39.880 38.460 0.250 0.000 1.164 195 Y HN 0.409 nan 8.280 nan 0.000 0.458 196 N N 1.952 120.714 118.700 0.104 0.000 2.446 196 N HA 0.383 5.124 4.740 0.000 0.000 0.265 196 N C 0.785 176.227 175.510 -0.113 0.000 0.975 196 N CA 0.388 53.426 53.050 -0.020 0.000 0.928 196 N CB 1.920 40.287 38.487 -0.200 0.000 1.160 196 N HN 0.967 nan 8.380 nan 0.000 0.495 197 G N 1.534 110.290 108.800 -0.074 0.000 2.179 197 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 197 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 197 G C 0.109 174.862 174.900 -0.244 0.000 0.977 197 G CA 0.764 45.748 45.100 -0.194 0.000 0.641 197 G HN 0.669 nan 8.290 nan 0.000 0.533 198 I N -1.911 118.592 120.570 -0.111 0.000 2.865 198 I HA 0.793 4.963 4.170 0.000 0.000 0.302 198 I C 0.273 176.442 176.117 0.088 0.000 1.140 198 I CA -0.643 60.506 61.300 -0.252 0.000 1.021 198 I CB 1.963 39.614 38.000 -0.583 0.000 1.233 198 I HN 0.182 nan 8.210 nan 0.000 0.427 199 T N -0.149 114.403 114.554 -0.004 0.000 2.882 199 T HA 0.327 4.677 4.350 0.000 0.000 0.287 199 T C -0.130 174.363 174.700 -0.345 0.000 1.014 199 T CA -0.619 61.358 62.100 -0.205 0.000 1.049 199 T CB 1.104 69.934 68.868 -0.063 0.000 1.001 199 T HN 0.773 nan 8.240 nan 0.000 0.525 200 D N 0.410 120.335 120.400 -0.791 0.000 2.451 200 D HA 0.012 4.653 4.640 0.000 0.000 0.259 200 D C 0.900 177.086 176.300 -0.189 0.000 1.201 200 D CA -1.096 52.428 54.000 -0.793 0.000 1.028 200 D CB 0.341 40.685 40.800 -0.760 0.000 1.095 200 D HN 0.729 nan 8.370 nan 0.000 0.539 201 W N 0.546 121.760 121.300 -0.142 0.000 2.318 201 W HA -0.226 4.434 4.660 0.000 0.000 0.313 201 W C 2.105 178.494 176.519 -0.217 0.000 1.221 201 W CA 2.205 59.460 57.345 -0.150 0.000 1.266 201 W CB -0.372 28.933 29.460 -0.258 0.000 1.150 201 W HN 0.215 nan 8.180 nan 0.000 0.496 202 V N -0.133 119.829 119.914 0.081 0.000 2.515 202 V HA -0.283 3.837 4.120 0.000 0.000 0.250 202 V C 1.812 177.699 176.094 -0.344 0.000 1.058 202 V CA 1.938 64.166 62.300 -0.120 0.000 1.064 202 V CB -0.691 31.087 31.823 -0.075 0.000 0.675 202 V HN 0.290 nan 8.190 nan 0.000 0.461 203 Y N 0.535 120.577 120.300 -0.430 0.000 2.314 203 Y HA -0.101 4.449 4.550 0.000 0.000 0.293 203 Y C 2.548 178.230 175.900 -0.364 0.000 1.129 203 Y CA 1.902 59.698 58.100 -0.506 0.000 1.201 203 Y CB -0.022 37.976 38.460 -0.771 0.000 0.999 203 Y HN 0.393 nan 8.280 nan 0.000 0.541 204 E N 0.349 120.454 120.200 -0.158 0.000 2.028 204 E HA -0.270 4.080 4.350 0.000 0.000 0.191 204 E C 1.994 178.514 176.600 -0.134 0.000 0.988 204 E CA 1.473 57.833 56.400 -0.066 0.000 0.799 204 E CB 0.022 29.709 29.700 -0.021 0.000 0.755 204 E HN 0.379 nan 8.360 nan 0.000 0.447 205 E N 0.422 120.359 120.200 -0.438 0.000 2.046 205 E HA -0.156 4.194 4.350 0.000 0.000 0.190 205 E C 1.549 178.004 176.600 -0.243 0.000 0.982 205 E CA 1.573 57.704 56.400 -0.448 0.000 0.800 205 E CB 0.147 29.214 29.700 -1.054 0.000 0.756 205 E HN 0.230 nan 8.360 nan 0.000 0.449 206 E N -0.595 119.425 120.200 -0.299 0.000 2.489 206 E HA 0.061 4.411 4.350 0.000 0.000 0.204 206 E C 1.614 178.047 176.600 -0.278 0.000 1.006 206 E CA 0.754 57.030 56.400 -0.206 0.000 0.936 206 E CB 1.314 30.893 29.700 -0.201 0.000 1.002 206 E HN 0.368 nan 8.360 nan 0.000 0.488 207 V N -3.147 116.541 119.914 -0.377 0.000 3.054 207 V HA 0.194 4.314 4.120 0.000 0.000 0.227 207 V C 1.368 177.304 176.094 -0.263 0.000 1.252 207 V CA 0.136 62.155 62.300 -0.468 0.000 1.279 207 V CB -0.389 30.892 31.823 -0.904 0.000 1.118 207 V HN -0.071 nan 8.190 nan 0.000 0.504 208 F N 1.782 121.718 119.950 -0.023 0.000 2.749 208 F HA 0.512 5.040 4.527 0.000 0.000 0.300 208 F C 1.650 177.390 175.800 -0.100 0.000 1.103 208 F CA -0.075 57.929 58.000 0.006 0.000 1.342 208 F CB -0.647 38.403 39.000 0.083 0.000 1.098 208 F HN 0.221 nan 8.300 nan 0.000 0.586 209 S N 0.545 116.240 115.700 -0.008 0.000 3.462 209 S HA -0.013 4.457 4.470 0.000 0.000 0.370 209 S C 0.251 174.399 174.600 -0.753 0.000 1.028 209 S CA 0.551 58.597 58.200 -0.257 0.000 1.119 209 S CB -1.611 61.526 63.200 -0.104 0.000 0.906 209 S HN 0.655 nan 8.310 nan 0.000 0.471 210 A N -0.680 121.912 122.820 -0.380 0.000 2.601 210 A HA 0.701 5.021 4.320 0.000 0.000 0.291 210 A C -0.333 177.230 177.584 -0.034 0.000 1.075 210 A CA -0.491 51.370 52.037 -0.293 0.000 0.671 210 A CB 0.303 19.166 19.000 -0.229 0.000 1.277 210 A HN 0.303 nan 8.150 nan 0.000 0.417 211 Y N 1.183 121.342 120.300 -0.234 0.000 2.436 211 Y HA 0.253 4.803 4.550 0.000 0.000 0.288 211 Y C 1.516 177.164 175.900 -0.420 0.000 1.112 211 Y CA 0.881 58.859 58.100 -0.203 0.000 1.220 211 Y CB 0.004 38.390 38.460 -0.124 0.000 1.073 211 Y HN 0.704 nan 8.280 nan 0.000 0.552 212 S N 0.619 115.814 115.700 -0.840 0.000 2.560 212 S HA 0.420 4.890 4.470 0.000 0.000 0.284 212 S C 0.383 174.473 174.600 -0.850 0.000 1.327 212 S CA 0.266 57.688 58.200 -1.297 0.000 1.055 212 S CB 0.519 62.572 63.200 -1.912 0.000 0.868 212 S HN 0.464 nan 8.310 nan 0.000 0.506 213 A N 3.965 126.278 122.820 -0.845 0.000 2.676 213 A HA 0.500 4.820 4.320 0.000 0.000 0.258 213 A C -0.788 176.077 177.584 -1.199 0.000 0.898 213 A CA -0.588 50.950 52.037 -0.831 0.000 1.087 213 A CB -0.329 18.626 19.000 -0.074 0.000 1.214 213 A HN 0.938 nan 8.150 nan 0.000 0.474 214 L N -4.750 115.598 121.223 -1.458 0.000 2.422 214 L HA 0.910 5.251 4.340 0.000 0.000 0.264 214 L C -1.332 174.958 176.870 -0.967 0.000 0.984 214 L CA -1.163 53.127 54.840 -0.916 0.000 0.819 214 L CB 1.074 42.873 42.059 -0.434 0.000 1.330 214 L HN 0.206 nan 8.230 nan 0.000 0.410 215 W N 1.814 123.143 121.300 0.048 0.000 2.587 215 W HA 0.326 4.986 4.660 0.000 0.000 0.324 215 W C -1.424 175.256 176.519 0.268 0.000 1.008 215 W CA -0.780 56.694 57.345 0.214 0.000 1.265 215 W CB 1.508 31.159 29.460 0.318 0.000 1.328 215 W HN 0.622 nan 8.180 nan 0.000 0.432 216 W N 2.610 124.078 121.300 0.279 0.000 2.190 216 W HA 0.200 4.860 4.660 0.000 0.000 0.330 216 W C 1.254 177.594 176.519 -0.298 0.000 1.299 216 W CA 0.370 57.749 57.345 0.058 0.000 1.215 216 W CB 0.874 30.357 29.460 0.037 0.000 1.147 216 W HN 0.175 nan 8.180 nan 0.000 0.563 217 S N 3.679 119.128 115.700 -0.418 0.000 2.585 217 S HA 0.126 4.597 4.470 0.000 0.000 0.273 217 S C -1.304 173.039 174.600 -0.430 0.000 1.339 217 S CA -1.109 56.272 58.200 -1.365 0.000 1.028 217 S CB 1.073 63.462 63.200 -1.353 0.000 0.906 217 S HN 0.445 nan 8.310 nan 0.000 0.528 218 P HA -0.179 nan 4.420 nan 0.000 0.222 218 P C 0.826 178.096 177.300 -0.049 0.000 1.142 218 P CA 1.133 64.199 63.100 -0.056 0.000 0.788 218 P CB 0.001 31.722 31.700 0.035 0.000 0.767 219 N N -0.346 118.307 118.700 -0.078 0.000 2.402 219 N HA -0.040 4.700 4.740 0.000 0.000 0.174 219 N C 1.516 176.970 175.510 -0.093 0.000 1.027 219 N CA 1.481 54.496 53.050 -0.058 0.000 0.891 219 N CB 0.082 38.550 38.487 -0.032 0.000 1.016 219 N HN 0.167 nan 8.380 nan 0.000 0.439 220 G N -0.535 108.223 108.800 -0.070 0.000 2.176 220 G HA2 -0.237 3.723 3.960 0.000 0.000 0.232 220 G HA3 -0.237 3.723 3.960 0.000 0.000 0.232 220 G C 0.968 175.903 174.900 0.059 0.000 0.986 220 G CA 0.851 45.910 45.100 -0.068 0.000 0.643 220 G HN 0.402 nan 8.290 nan 0.000 0.522 221 T N 0.115 114.624 114.554 -0.074 0.000 2.770 221 T HA 0.275 4.625 4.350 0.000 0.000 0.263 221 T C 0.716 175.189 174.700 -0.377 0.000 1.039 221 T CA 1.205 63.125 62.100 -0.300 0.000 1.142 221 T CB -0.081 68.457 68.868 -0.550 0.000 0.868 221 T HN 0.287 nan 8.240 nan 0.000 0.435 222 F N 0.353 120.316 119.950 0.022 0.000 2.458 222 F HA 0.585 5.112 4.527 0.000 0.000 0.330 222 F C -0.150 175.663 175.800 0.022 0.000 1.082 222 F CA -1.275 56.761 58.000 0.060 0.000 0.995 222 F CB 1.237 40.352 39.000 0.193 0.000 1.170 222 F HN -0.098 nan 8.300 nan 0.000 0.478 223 L N 2.908 124.222 121.223 0.151 0.000 2.343 223 L HA 0.758 5.098 4.340 0.000 0.000 0.278 223 L C -0.820 176.115 176.870 0.109 0.000 0.996 223 L CA -0.524 54.221 54.840 -0.159 0.000 0.831 223 L CB 1.036 42.773 42.059 -0.536 0.000 1.232 223 L HN 0.816 nan 8.230 nan 0.000 0.413 224 A N 4.761 127.725 122.820 0.240 0.000 2.312 224 A HA 0.788 5.108 4.320 0.000 0.000 0.328 224 A C -1.412 176.271 177.584 0.164 0.000 1.158 224 A CA -0.331 51.755 52.037 0.082 0.000 0.821 224 A CB 1.128 20.242 19.000 0.190 0.000 1.170 224 A HN 0.728 nan 8.150 nan 0.000 0.490 225 Y N -1.911 118.224 120.300 -0.275 0.000 2.656 225 Y HA 0.761 5.311 4.550 0.000 0.000 0.334 225 Y C -0.355 175.500 175.900 -0.074 0.000 1.179 225 Y CA -0.895 57.164 58.100 -0.069 0.000 1.050 225 Y CB 0.795 39.148 38.460 -0.179 0.000 1.308 225 Y HN 0.959 nan 8.280 nan 0.000 0.456 226 A N 1.797 124.789 122.820 0.287 0.000 2.311 226 A HA 0.728 5.048 4.320 0.000 0.000 0.334 226 A C -1.218 176.338 177.584 -0.047 0.000 1.139 226 A CA -0.859 51.216 52.037 0.063 0.000 0.830 226 A CB 1.808 20.815 19.000 0.012 0.000 1.234 226 A HN 0.809 nan 8.150 nan 0.000 0.483 227 Q N 0.684 120.341 119.800 -0.238 0.000 2.304 227 Q HA 0.593 4.933 4.340 0.000 0.000 0.270 227 Q C -2.133 173.653 176.000 -0.357 0.000 1.035 227 Q CA -0.340 55.414 55.803 -0.081 0.000 0.781 227 Q CB 1.184 30.078 28.738 0.259 0.000 1.261 227 Q HN 0.600 nan 8.270 nan 0.000 0.444 228 F N 2.208 122.257 119.950 0.164 0.000 2.469 228 F HA 0.430 4.957 4.527 0.000 0.000 0.332 228 F C 0.374 176.307 175.800 0.223 0.000 1.103 228 F CA -0.905 57.154 58.000 0.098 0.000 0.979 228 F CB 1.461 40.416 39.000 -0.074 0.000 1.137 228 F HN 0.417 nan 8.300 nan 0.000 0.463 229 N N 1.821 120.725 118.700 0.340 0.000 2.446 229 N HA 0.230 4.971 4.740 0.000 0.000 0.265 229 N C -0.724 174.949 175.510 0.272 0.000 0.975 229 N CA -0.299 52.918 53.050 0.279 0.000 0.928 229 N CB 1.223 39.822 38.487 0.187 0.000 1.160 229 N HN 0.556 nan 8.380 nan 0.000 0.495 230 D N 1.192 121.773 120.400 0.301 0.000 2.398 230 D HA 0.112 4.752 4.640 0.000 0.000 0.210 230 D C 1.215 177.625 176.300 0.182 0.000 1.094 230 D CA 0.220 54.375 54.000 0.258 0.000 0.839 230 D CB 0.521 41.532 40.800 0.352 0.000 0.963 230 D HN 0.500 nan 8.370 nan 0.000 0.506 231 T N 0.278 114.923 114.554 0.152 0.000 2.653 231 T HA -0.278 4.072 4.350 0.000 0.000 0.267 231 T C 1.589 176.343 174.700 0.089 0.000 1.037 231 T CA 1.542 63.705 62.100 0.106 0.000 1.159 231 T CB -0.103 68.818 68.868 0.088 0.000 0.859 231 T HN 0.220 nan 8.240 nan 0.000 0.449 232 E N 0.013 120.267 120.200 0.090 0.000 2.474 232 E HA 0.151 4.501 4.350 0.000 0.000 0.195 232 E C -0.367 176.279 176.600 0.077 0.000 1.039 232 E CA -0.234 56.210 56.400 0.073 0.000 0.881 232 E CB 0.435 30.173 29.700 0.063 0.000 0.970 232 E HN 0.186 nan 8.360 nan 0.000 0.486 233 V N 3.221 123.193 119.914 0.098 0.000 2.555 233 V HA 0.135 4.255 4.120 0.000 0.000 0.286 233 V C -1.990 174.158 176.094 0.090 0.000 1.044 233 V CA -1.518 60.843 62.300 0.102 0.000 1.026 233 V CB 0.735 32.635 31.823 0.128 0.000 0.981 233 V HN 0.141 nan 8.190 nan 0.000 0.480 234 P HA 0.212 nan 4.420 nan 0.000 0.270 234 P C -0.762 176.576 177.300 0.062 0.000 1.223 234 P CA -0.203 62.934 63.100 0.063 0.000 0.785 234 P CB 0.474 32.212 31.700 0.063 0.000 0.923 235 L N 1.934 123.171 121.223 0.023 0.000 2.307 235 L HA 0.424 4.764 4.340 0.000 0.000 0.284 235 L C 0.236 177.061 176.870 -0.076 0.000 1.023 235 L CA -1.037 53.798 54.840 -0.007 0.000 0.810 235 L CB 1.177 43.225 42.059 -0.020 0.000 1.231 235 L HN 0.301 nan 8.230 nan 0.000 0.423 236 I N 3.042 123.524 120.570 -0.147 0.000 2.395 236 I HA 0.228 4.398 4.170 0.000 0.000 0.289 236 I C -0.295 175.679 176.117 -0.239 0.000 1.023 236 I CA 0.247 61.358 61.300 -0.315 0.000 1.350 236 I CB 0.740 38.294 38.000 -0.744 0.000 1.409 236 I HN 0.558 nan 8.210 nan 0.000 0.507 237 E N 7.438 127.518 120.200 -0.200 0.000 2.234 237 E HA 0.518 4.868 4.350 0.000 0.000 0.266 237 E C -1.774 174.771 176.600 -0.092 0.000 0.877 237 E CA -0.591 55.692 56.400 -0.195 0.000 0.758 237 E CB 2.093 31.706 29.700 -0.145 0.000 1.170 237 E HN 0.589 nan 8.360 nan 0.000 0.415 238 Y N -1.812 118.403 120.300 -0.141 0.000 2.624 238 Y HA 0.505 5.056 4.550 0.000 0.000 0.334 238 Y C -0.868 174.972 175.900 -0.100 0.000 1.155 238 Y CA -1.247 56.782 58.100 -0.119 0.000 1.046 238 Y CB 0.732 39.127 38.460 -0.110 0.000 1.316 238 Y HN 0.197 nan 8.280 nan 0.000 0.457 239 S N 1.926 117.650 115.700 0.039 0.000 2.565 239 S HA 0.516 4.986 4.470 0.000 0.000 0.274 239 S C -1.424 173.078 174.600 -0.164 0.000 1.309 239 S CA -0.364 57.711 58.200 -0.209 0.000 1.043 239 S CB 0.461 63.361 63.200 -0.500 0.000 0.939 239 S HN 0.530 nan 8.310 nan 0.000 0.504 240 F N 2.381 122.112 119.950 -0.365 0.000 2.499 240 F HA 0.427 4.954 4.527 0.000 0.000 0.333 240 F C -0.278 175.332 175.800 -0.317 0.000 1.138 240 F CA -0.934 56.959 58.000 -0.178 0.000 0.945 240 F CB 0.808 39.800 39.000 -0.014 0.000 1.181 240 F HN 0.639 nan 8.300 nan 0.000 0.435 241 Y N 2.683 122.795 120.300 -0.313 0.000 2.420 241 Y HA 0.122 4.672 4.550 0.000 0.000 0.292 241 Y C 1.732 177.578 175.900 -0.091 0.000 1.119 241 Y CA 1.044 59.046 58.100 -0.163 0.000 1.229 241 Y CB -0.613 37.734 38.460 -0.190 0.000 1.026 241 Y HN 0.742 nan 8.280 nan 0.000 0.554 242 S N -0.495 115.157 115.700 -0.079 0.000 3.514 242 S HA -0.220 4.250 4.470 0.000 0.000 0.634 242 S C -0.477 174.180 174.600 0.095 0.000 2.489 242 S CA 0.415 58.716 58.200 0.167 0.000 2.771 242 S CB -1.231 62.138 63.200 0.282 0.000 0.328 242 S HN 0.444 nan 8.310 nan 0.000 1.714 243 D N 1.353 121.825 120.400 0.119 0.000 2.358 243 D HA 0.253 4.893 4.640 0.000 0.000 0.244 243 D C 1.405 177.741 176.300 0.060 0.000 1.163 243 D CA 0.110 54.157 54.000 0.078 0.000 0.945 243 D CB 0.360 41.207 40.800 0.078 0.000 1.152 243 D HN 0.601 nan 8.370 nan 0.000 0.451 244 E N 0.335 120.558 120.200 0.037 0.000 2.136 244 E HA -0.271 4.080 4.350 0.000 0.000 0.202 244 E C 1.771 178.387 176.600 0.026 0.000 1.019 244 E CA 1.952 58.366 56.400 0.023 0.000 0.819 244 E CB 0.095 29.802 29.700 0.012 0.000 0.739 244 E HN 0.479 nan 8.360 nan 0.000 0.458 245 S N 0.383 116.104 115.700 0.034 0.000 2.402 245 S HA -0.173 4.297 4.470 0.000 0.000 0.233 245 S C 1.213 175.840 174.600 0.044 0.000 1.030 245 S CA 0.412 58.634 58.200 0.035 0.000 1.003 245 S CB -0.385 62.840 63.200 0.040 0.000 0.813 245 S HN 0.264 nan 8.310 nan 0.000 0.477 246 L N 2.445 123.704 121.223 0.059 0.000 2.530 246 L HA 0.069 4.409 4.340 0.000 0.000 0.273 246 L C 1.734 178.636 176.870 0.052 0.000 1.141 246 L CA 0.143 55.028 54.840 0.075 0.000 0.905 246 L CB 0.629 42.747 42.059 0.099 0.000 1.202 246 L HN 0.493 nan 8.230 nan 0.000 0.473 247 Q N 3.993 123.824 119.800 0.052 0.000 2.046 247 Q HA -0.120 4.221 4.340 0.000 0.000 0.200 247 Q C -0.495 175.416 176.000 -0.149 0.000 0.975 247 Q CA 1.442 57.220 55.803 -0.043 0.000 0.836 247 Q CB 0.195 28.923 28.738 -0.015 0.000 0.896 247 Q HN 0.576 nan 8.270 nan 0.000 0.428 248 Y N 0.570 120.881 120.300 0.017 0.000 2.335 248 Y HA 0.367 4.917 4.550 0.000 0.000 0.338 248 Y C -1.988 173.911 175.900 -0.002 0.000 0.977 248 Y CA -2.850 55.253 58.100 0.006 0.000 1.114 248 Y CB 1.304 39.761 38.460 -0.005 0.000 1.182 248 Y HN 0.166 nan 8.280 nan 0.000 0.463 249 P HA 0.053 nan 4.420 nan 0.000 0.269 249 P C -0.763 176.524 177.300 -0.021 0.000 1.217 249 P CA -0.438 62.646 63.100 -0.027 0.000 0.783 249 P CB 0.738 32.339 31.700 -0.165 0.000 0.898 250 K N 0.551 120.922 120.400 -0.048 0.000 2.123 250 K HA 0.423 4.743 4.320 0.000 0.000 0.259 250 K C -0.714 175.833 176.600 -0.088 0.000 0.960 250 K CA -0.428 55.845 56.287 -0.023 0.000 0.872 250 K CB 0.815 33.342 32.500 0.045 0.000 1.079 250 K HN 0.333 nan 8.250 nan 0.000 0.440 251 T N 2.494 116.985 114.554 -0.105 0.000 2.770 251 T HA 0.223 4.573 4.350 0.000 0.000 0.297 251 T C -0.536 174.032 174.700 -0.220 0.000 0.997 251 T CA -0.613 61.389 62.100 -0.163 0.000 0.949 251 T CB 0.887 69.675 68.868 -0.133 0.000 0.941 251 T HN 0.218 nan 8.240 nan 0.000 0.457 252 V N 5.393 125.076 119.914 -0.384 0.000 2.530 252 V HA 0.379 4.499 4.120 0.000 0.000 0.282 252 V C 0.530 176.337 176.094 -0.479 0.000 1.048 252 V CA -0.422 61.600 62.300 -0.463 0.000 0.997 252 V CB 0.588 31.981 31.823 -0.716 0.000 0.987 252 V HN 0.700 nan 8.190 nan 0.000 0.477 253 R N 3.549 123.905 120.500 -0.240 0.000 2.439 253 R HA 0.740 5.080 4.340 0.000 0.000 0.310 253 R C -1.614 174.660 176.300 -0.044 0.000 0.955 253 R CA -0.566 55.440 56.100 -0.157 0.000 0.853 253 R CB 2.175 32.417 30.300 -0.096 0.000 1.171 253 R HN 0.525 nan 8.270 nan 0.000 0.449 254 V N 4.250 124.142 119.914 -0.036 0.000 2.577 254 V HA 0.326 4.446 4.120 0.000 0.000 0.303 254 V C -2.403 173.735 176.094 0.073 0.000 1.042 254 V CA -2.445 59.898 62.300 0.071 0.000 0.872 254 V CB 2.295 34.139 31.823 0.035 0.000 0.998 254 V HN 0.614 nan 8.190 nan 0.000 0.423 255 P HA 0.148 nan 4.420 nan 0.000 0.265 255 P C -1.373 176.021 177.300 0.158 0.000 1.222 255 P CA 0.376 63.572 63.100 0.160 0.000 0.767 255 P CB -0.148 31.688 31.700 0.225 0.000 0.801 256 Y N 6.560 126.833 120.300 -0.046 0.000 2.301 256 Y HA 0.355 4.905 4.550 0.000 0.000 0.325 256 Y C -2.789 173.082 175.900 -0.048 0.000 1.103 256 Y CA -2.976 55.050 58.100 -0.124 0.000 1.182 256 Y CB 1.607 39.866 38.460 -0.334 0.000 1.139 256 Y HN 0.278 nan 8.280 nan 0.000 0.443 257 P HA 0.252 nan 4.420 nan 0.000 0.287 257 P C -0.868 176.499 177.300 0.112 0.000 1.307 257 P CA -0.136 63.019 63.100 0.092 0.000 0.777 257 P CB 1.572 33.301 31.700 0.048 0.000 0.883 258 K N 2.002 122.545 120.400 0.239 0.000 2.179 258 K HA 0.533 4.853 4.320 0.000 0.000 0.238 258 K C 0.503 177.208 176.600 0.174 0.000 1.033 258 K CA -0.824 55.621 56.287 0.263 0.000 0.926 258 K CB 0.551 33.214 32.500 0.270 0.000 1.151 258 K HN 0.441 nan 8.250 nan 0.000 0.492 259 A N 0.562 123.508 122.820 0.210 0.000 2.561 259 A HA 0.282 4.602 4.320 0.000 0.000 0.251 259 A C 1.157 178.779 177.584 0.063 0.000 1.062 259 A CA 1.043 53.188 52.037 0.179 0.000 0.761 259 A CB -1.334 17.852 19.000 0.309 0.000 0.986 259 A HN 0.887 nan 8.150 nan 0.000 0.510 260 G N 1.073 109.903 108.800 0.051 0.000 2.205 260 G HA2 0.089 4.049 3.960 0.000 0.000 0.261 260 G HA3 0.089 4.049 3.960 0.000 0.000 0.261 260 G C 0.711 175.626 174.900 0.024 0.000 0.980 260 G CA 0.746 45.851 45.100 0.008 0.000 0.632 260 G HN 2.174 nan 8.290 nan 0.000 0.533 261 A N -0.283 122.568 122.820 0.050 0.000 2.280 261 A HA 0.719 5.039 4.320 0.000 0.000 0.268 261 A C 0.915 178.531 177.584 0.052 0.000 1.111 261 A CA 0.362 52.432 52.037 0.054 0.000 0.814 261 A CB 0.570 19.618 19.000 0.079 0.000 1.093 261 A HN 1.181 nan 8.150 nan 0.000 0.498 262 V N 2.290 122.235 119.914 0.052 0.000 2.585 262 V HA 0.026 4.147 4.120 0.000 0.000 0.296 262 V C 0.414 176.548 176.094 0.067 0.000 1.035 262 V CA -0.062 62.269 62.300 0.051 0.000 1.084 262 V CB -0.054 31.800 31.823 0.050 0.000 0.953 262 V HN 0.808 nan 8.190 nan 0.000 0.483 263 N N 5.879 124.616 118.700 0.062 0.000 2.476 263 N HA 0.490 5.230 4.740 0.000 0.000 0.275 263 N C -2.362 173.218 175.510 0.117 0.000 1.190 263 N CA -1.482 51.623 53.050 0.092 0.000 0.977 263 N CB 1.247 39.779 38.487 0.074 0.000 1.200 263 N HN 0.414 nan 8.380 nan 0.000 0.515 264 P HA 0.132 nan 4.420 nan 0.000 0.274 264 P C -0.554 176.877 177.300 0.217 0.000 1.237 264 P CA -0.201 63.031 63.100 0.219 0.000 0.793 264 P CB 0.495 32.360 31.700 0.274 0.000 0.977 265 T N -1.628 113.037 114.554 0.186 0.000 2.943 265 T HA 0.575 4.925 4.350 0.000 0.000 0.284 265 T C -0.245 174.553 174.700 0.163 0.000 1.015 265 T CA -0.812 61.358 62.100 0.118 0.000 1.042 265 T CB 1.473 70.387 68.868 0.077 0.000 1.055 265 T HN 0.320 nan 8.240 nan 0.000 0.500 266 V N 0.534 120.512 119.914 0.105 0.000 2.962 266 V HA 0.777 4.897 4.120 0.000 0.000 0.313 266 V C -1.433 174.713 176.094 0.087 0.000 1.099 266 V CA -0.883 61.439 62.300 0.037 0.000 0.971 266 V CB 2.087 33.956 31.823 0.076 0.000 1.028 266 V HN 1.052 nan 8.190 nan 0.000 0.430 267 K N 4.013 124.408 120.400 -0.008 0.000 2.477 267 K HA 0.555 4.876 4.320 0.000 0.000 0.255 267 K C -2.018 174.502 176.600 -0.133 0.000 0.952 267 K CA -0.487 55.771 56.287 -0.049 0.000 0.826 267 K CB 2.817 35.295 32.500 -0.037 0.000 1.331 267 K HN 0.537 nan 8.250 nan 0.000 0.437 268 F N 2.320 121.950 119.950 -0.532 0.000 2.529 268 F HA 0.575 5.102 4.527 0.000 0.000 0.320 268 F C -1.502 173.762 175.800 -0.893 0.000 1.118 268 F CA -0.678 57.009 58.000 -0.522 0.000 0.915 268 F CB 0.872 39.709 39.000 -0.272 0.000 1.161 268 F HN 0.406 nan 8.300 nan 0.000 0.445 269 F N 3.673 122.916 119.950 -1.179 0.000 2.640 269 F HA 0.821 5.348 4.527 0.000 0.000 0.324 269 F C -0.952 174.177 175.800 -1.118 0.000 1.077 269 F CA -1.249 56.149 58.000 -1.002 0.000 0.965 269 F CB 2.007 40.397 39.000 -1.017 0.000 1.351 269 F HN 0.132 nan 8.300 nan 0.000 0.487 270 V N 1.849 121.543 119.914 -0.366 0.000 2.733 270 V HA 0.608 4.728 4.120 0.000 0.000 0.306 270 V C -1.318 174.861 176.094 0.142 0.000 1.084 270 V CA -0.768 61.407 62.300 -0.209 0.000 0.905 270 V CB 2.077 33.608 31.823 -0.487 0.000 1.010 270 V HN 0.611 nan 8.190 nan 0.000 0.424 271 V N 3.996 124.053 119.914 0.239 0.000 2.823 271 V HA 0.547 4.668 4.120 0.000 0.000 0.312 271 V C -0.344 175.928 176.094 0.296 0.000 1.072 271 V CA -0.659 61.793 62.300 0.253 0.000 0.937 271 V CB 2.224 34.131 31.823 0.141 0.000 1.013 271 V HN 1.001 nan 8.190 nan 0.000 0.430 272 N N 2.440 121.265 118.700 0.209 0.000 2.462 272 N HA 0.192 4.933 4.740 0.000 0.000 0.242 272 N C 1.165 176.620 175.510 -0.092 0.000 1.010 272 N CA 0.301 53.334 53.050 -0.027 0.000 0.939 272 N CB 1.323 39.771 38.487 -0.065 0.000 1.127 272 N HN 0.866 nan 8.380 nan 0.000 0.509 273 T N 0.039 114.531 114.554 -0.104 0.000 2.995 273 T HA -0.072 4.278 4.350 0.000 0.000 0.269 273 T C 0.775 175.393 174.700 -0.137 0.000 1.091 273 T CA 0.874 62.917 62.100 -0.094 0.000 1.128 273 T CB 0.047 68.956 68.868 0.067 0.000 0.891 273 T HN 0.407 nan 8.240 nan 0.000 0.492 274 D N 1.708 122.018 120.400 -0.150 0.000 2.363 274 D HA 0.041 4.682 4.640 0.000 0.000 0.226 274 D C 1.764 178.002 176.300 -0.104 0.000 1.020 274 D CA 0.892 54.817 54.000 -0.126 0.000 0.892 274 D CB 0.136 40.852 40.800 -0.140 0.000 0.900 274 D HN 0.698 nan 8.370 nan 0.000 0.531 275 S N -0.824 114.811 115.700 -0.108 0.000 2.578 275 S HA 0.152 4.622 4.470 0.000 0.000 0.231 275 S C 1.793 176.345 174.600 -0.080 0.000 0.994 275 S CA -0.358 57.806 58.200 -0.061 0.000 0.956 275 S CB -0.103 63.086 63.200 -0.019 0.000 0.870 275 S HN 0.094 nan 8.310 nan 0.000 0.494 276 L N 2.221 123.327 121.223 -0.196 0.000 2.201 276 L HA -0.005 4.335 4.340 0.000 0.000 0.212 276 L C 2.170 178.947 176.870 -0.155 0.000 1.105 276 L CA 1.361 55.995 54.840 -0.344 0.000 0.775 276 L CB -0.522 40.975 42.059 -0.937 0.000 0.913 276 L HN 0.535 nan 8.230 nan 0.000 0.440 277 S N -2.949 112.715 115.700 -0.061 0.000 2.679 277 S HA 0.171 4.642 4.470 0.000 0.000 0.233 277 S C 1.116 175.772 174.600 0.092 0.000 0.951 277 S CA -0.126 58.151 58.200 0.128 0.000 0.973 277 S CB 0.506 63.791 63.200 0.142 0.000 0.778 277 S HN 0.201 nan 8.310 nan 0.000 0.477 278 S N 0.174 115.912 115.700 0.063 0.000 2.631 278 S HA 0.219 4.689 4.470 0.000 0.000 0.246 278 S C 1.316 175.951 174.600 0.060 0.000 1.068 278 S CA 0.287 58.520 58.200 0.055 0.000 0.995 278 S CB 0.319 63.541 63.200 0.037 0.000 0.944 278 S HN 0.523 nan 8.310 nan 0.000 0.529 279 V N -0.666 119.288 119.914 0.067 0.000 3.324 279 V HA 0.601 4.721 4.120 0.000 0.000 0.192 279 V C 1.289 177.433 176.094 0.083 0.000 1.223 279 V CA 1.145 63.486 62.300 0.068 0.000 1.400 279 V CB -0.089 31.773 31.823 0.065 0.000 1.277 279 V HN 0.322 nan 8.190 nan 0.000 0.486 280 T N -1.590 113.025 114.554 0.101 0.000 3.978 280 T HA 0.099 4.449 4.350 0.000 0.000 0.312 280 T C -0.735 174.052 174.700 0.146 0.000 0.873 280 T CA 0.427 62.595 62.100 0.113 0.000 1.238 280 T CB -0.800 68.107 68.868 0.065 0.000 0.981 280 T HN 0.522 nan 8.240 nan 0.000 0.468 281 N N 1.774 120.541 118.700 0.112 0.000 2.626 281 N HA 0.743 5.483 4.740 0.000 0.000 0.249 281 N C -0.489 175.101 175.510 0.132 0.000 1.021 281 N CA 0.333 53.468 53.050 0.142 0.000 0.886 281 N CB 1.545 40.044 38.487 0.021 0.000 1.149 281 N HN 0.713 nan 8.380 nan 0.000 0.517 282 A N 1.757 124.666 122.820 0.148 0.000 2.603 282 A HA 0.162 4.482 4.320 0.000 0.000 0.235 282 A C 0.520 178.163 177.584 0.098 0.000 1.035 282 A CA 0.427 52.521 52.037 0.094 0.000 0.755 282 A CB -0.352 18.676 19.000 0.047 0.000 0.954 282 A HN 0.585 nan 8.150 nan 0.000 0.511 283 T N 0.873 115.485 114.554 0.096 0.000 2.756 283 T HA 0.559 4.909 4.350 0.000 0.000 0.290 283 T C -0.127 174.655 174.700 0.136 0.000 0.985 283 T CA -0.456 61.708 62.100 0.106 0.000 0.955 283 T CB 0.823 69.757 68.868 0.110 0.000 0.930 283 T HN 0.466 nan 8.240 nan 0.000 0.451 284 S N 4.790 120.561 115.700 0.119 0.000 2.439 284 S HA 0.331 4.801 4.470 0.000 0.000 0.282 284 S C 0.533 175.284 174.600 0.253 0.000 1.170 284 S CA -0.897 57.397 58.200 0.157 0.000 1.054 284 S CB -0.090 63.138 63.200 0.047 0.000 0.956 284 S HN 0.618 nan 8.310 nan 0.000 0.490 285 I N 3.518 124.250 120.570 0.270 0.000 2.533 285 I HA 0.143 4.313 4.170 0.000 0.000 0.284 285 I C 0.812 177.053 176.117 0.208 0.000 1.109 285 I CA 0.163 61.632 61.300 0.282 0.000 1.412 285 I CB -0.071 38.176 38.000 0.412 0.000 1.396 285 I HN 0.654 nan 8.210 nan 0.000 0.543 286 Q N 6.006 125.908 119.800 0.170 0.000 2.259 286 Q HA 0.508 4.848 4.340 0.000 0.000 0.246 286 Q C -1.001 174.932 176.000 -0.112 0.000 0.920 286 Q CA -0.523 55.194 55.803 -0.142 0.000 0.895 286 Q CB 1.452 30.076 28.738 -0.191 0.000 1.220 286 Q HN 0.540 nan 8.270 nan 0.000 0.439 287 I N 3.687 124.154 120.570 -0.173 0.000 2.420 287 I HA 0.175 4.345 4.170 0.000 0.000 0.282 287 I C 0.741 176.826 176.117 -0.053 0.000 1.019 287 I CA -0.418 60.863 61.300 -0.032 0.000 1.130 287 I CB 1.509 39.550 38.000 0.069 0.000 1.262 287 I HN 0.764 nan 8.210 nan 0.000 0.454 288 T N 3.206 117.694 114.554 -0.111 0.000 3.367 288 T HA 0.727 5.077 4.350 0.000 0.000 0.330 288 T C 1.057 175.544 174.700 -0.354 0.000 1.269 288 T CA 0.304 62.286 62.100 -0.197 0.000 0.912 288 T CB 0.451 69.221 68.868 -0.164 0.000 2.087 288 T HN 0.798 nan 8.240 nan 0.000 0.562 289 A N 1.122 123.702 122.820 -0.401 0.000 6.115 289 A HA -0.068 4.252 4.320 0.000 0.000 0.360 289 A C -2.319 174.692 177.584 -0.954 0.000 1.861 289 A CA 0.414 52.143 52.037 -0.514 0.000 1.013 289 A CB -2.764 16.039 19.000 -0.329 0.000 1.278 289 A HN 0.842 nan 8.150 nan 0.000 0.460 290 P HA 0.399 nan 4.420 nan 0.000 0.271 290 P C 0.929 178.011 177.300 -0.362 0.000 1.218 290 P CA 0.671 63.503 63.100 -0.446 0.000 0.780 290 P CB 0.669 32.169 31.700 -0.333 0.000 0.901 291 A N 2.829 125.509 122.820 -0.233 0.000 1.927 291 A HA -0.234 4.087 4.320 0.000 0.000 0.220 291 A C 1.966 179.450 177.584 -0.167 0.000 1.185 291 A CA 2.567 54.494 52.037 -0.183 0.000 0.639 291 A CB -1.788 17.138 19.000 -0.124 0.000 0.820 291 A HN 0.618 nan 8.150 nan 0.000 0.451 292 S N -2.422 113.204 115.700 -0.124 0.000 2.603 292 S HA 0.071 4.541 4.470 0.000 0.000 0.229 292 S C 1.454 175.998 174.600 -0.094 0.000 0.972 292 S CA 1.394 59.545 58.200 -0.081 0.000 0.935 292 S CB -0.074 63.145 63.200 0.032 0.000 0.769 292 S HN 0.367 nan 8.310 nan 0.000 0.536 293 M N 1.132 120.606 119.600 -0.211 0.000 2.718 293 M HA 0.485 4.965 4.480 0.000 0.000 0.259 293 M C 1.564 177.606 176.300 -0.430 0.000 1.240 293 M CA 0.860 55.969 55.300 -0.319 0.000 1.210 293 M CB -0.561 31.709 32.600 -0.550 0.000 1.281 293 M HN 0.235 nan 8.290 nan 0.000 0.515 294 L N -0.097 120.848 121.223 -0.464 0.000 2.349 294 L HA -0.160 4.181 4.340 0.000 0.000 0.220 294 L C 2.192 178.982 176.870 -0.132 0.000 1.130 294 L CA 0.785 55.439 54.840 -0.310 0.000 0.791 294 L CB -0.851 41.049 42.059 -0.264 0.000 0.918 294 L HN 0.340 nan 8.230 nan 0.000 0.444 295 I N -0.441 120.053 120.570 -0.126 0.000 3.083 295 I HA -0.040 4.130 4.170 0.000 0.000 0.273 295 I C 0.956 177.047 176.117 -0.043 0.000 1.297 295 I CA 0.671 61.923 61.300 -0.079 0.000 1.452 295 I CB -0.092 37.854 38.000 -0.090 0.000 1.078 295 I HN 0.254 nan 8.210 nan 0.000 0.484 296 G N -0.423 108.369 108.800 -0.013 0.000 2.570 296 G HA2 0.140 4.100 3.960 0.000 0.000 0.310 296 G HA3 0.140 4.100 3.960 0.000 0.000 0.310 296 G C -1.739 173.222 174.900 0.101 0.000 1.266 296 G CA -0.613 44.500 45.100 0.021 0.000 0.825 296 G HN 0.004 nan 8.290 nan 0.000 0.483 297 D N 1.368 121.785 120.400 0.029 0.000 2.425 297 D HA 0.449 5.089 4.640 0.000 0.000 0.247 297 D C 0.442 176.714 176.300 -0.047 0.000 1.147 297 D CA 0.665 54.636 54.000 -0.047 0.000 0.879 297 D CB 0.407 41.135 40.800 -0.119 0.000 1.179 297 D HN 0.536 nan 8.370 nan 0.000 0.456 298 H N -0.322 118.609 119.070 -0.231 0.000 2.947 298 H HA 0.492 5.048 4.556 0.000 0.000 0.290 298 H C -1.328 173.834 175.328 -0.277 0.000 1.430 298 H CA -0.803 55.115 56.048 -0.216 0.000 1.189 298 H CB 0.426 30.200 29.762 0.021 0.000 1.875 298 H HN 0.291 nan 8.280 nan 0.000 0.568 299 Y N -0.130 120.382 120.300 0.353 0.000 2.524 299 Y HA 0.349 4.899 4.550 0.000 0.000 0.347 299 Y C -0.462 175.666 175.900 0.380 0.000 1.005 299 Y CA -1.107 57.175 58.100 0.305 0.000 1.025 299 Y CB 2.011 40.482 38.460 0.019 0.000 1.275 299 Y HN 0.472 nan 8.280 nan 0.000 0.460 300 L N 1.975 123.496 121.223 0.495 0.000 2.278 300 L HA 0.317 4.657 4.340 0.000 0.000 0.287 300 L C 0.298 177.167 176.870 -0.002 0.000 1.072 300 L CA 0.305 55.075 54.840 -0.117 0.000 0.819 300 L CB 0.482 42.461 42.059 -0.134 0.000 1.176 300 L HN 1.022 nan 8.230 nan 0.000 0.435 301 C N 3.588 122.778 119.300 -0.182 0.000 2.564 301 C HA 0.215 4.675 4.460 0.000 0.000 0.281 301 C C 0.634 175.608 174.990 -0.025 0.000 1.314 301 C CA 0.358 59.309 59.018 -0.111 0.000 1.706 301 C CB -0.446 27.241 27.740 -0.090 0.000 2.109 301 C HN 0.953 nan 8.230 nan 0.000 0.502 302 D N -1.264 119.032 120.400 -0.173 0.000 2.706 302 D HA 0.348 4.989 4.640 0.000 0.000 0.225 302 D C -1.834 174.168 176.300 -0.497 0.000 1.241 302 D CA -0.028 53.870 54.000 -0.169 0.000 0.784 302 D CB 2.037 42.754 40.800 -0.139 0.000 1.521 302 D HN 0.175 nan 8.370 nan 0.000 0.461 303 V N 1.839 121.377 119.914 -0.627 0.000 2.569 303 V HA 0.789 4.909 4.120 0.000 0.000 0.301 303 V C -1.378 174.323 176.094 -0.655 0.000 1.044 303 V CA 0.181 61.934 62.300 -0.912 0.000 0.874 303 V CB 1.563 32.436 31.823 -1.583 0.000 1.002 303 V HN 0.732 nan 8.190 nan 0.000 0.424 304 T N 2.665 116.925 114.554 -0.489 0.000 2.991 304 T HA 0.523 4.873 4.350 0.000 0.000 0.303 304 T C -1.044 173.499 174.700 -0.261 0.000 1.015 304 T CA -0.401 61.562 62.100 -0.227 0.000 1.007 304 T CB 0.902 69.710 68.868 -0.100 0.000 1.034 304 T HN 0.735 nan 8.240 nan 0.000 0.446 305 W N 2.615 123.833 121.300 -0.136 0.000 2.216 305 W HA 0.562 5.222 4.660 0.000 0.000 0.326 305 W C 1.224 177.610 176.519 -0.222 0.000 1.319 305 W CA 0.024 57.284 57.345 -0.141 0.000 1.213 305 W CB 0.841 30.305 29.460 0.007 0.000 1.171 305 W HN 1.006 nan 8.180 nan 0.000 0.557 306 A N 2.083 124.764 122.820 -0.230 0.000 1.887 306 A HA 0.140 4.460 4.320 0.000 0.000 0.210 306 A C 1.066 178.631 177.584 -0.033 0.000 1.221 306 A CA 1.629 53.357 52.037 -0.516 0.000 0.635 306 A CB -0.579 17.679 19.000 -1.237 0.000 0.881 306 A HN 0.538 nan 8.150 nan 0.000 0.456 307 T N -5.376 109.231 114.554 0.088 0.000 2.645 307 T HA 0.417 4.768 4.350 0.000 0.000 0.273 307 T C 0.589 175.459 174.700 0.284 0.000 0.960 307 T CA -0.085 62.120 62.100 0.176 0.000 1.051 307 T CB 0.904 69.861 68.868 0.148 0.000 1.366 307 T HN -0.078 nan 8.240 nan 0.000 0.536 308 Q N 0.915 120.855 119.800 0.234 0.000 2.291 308 Q HA 0.034 4.374 4.340 0.000 0.000 0.206 308 Q C 1.011 177.253 176.000 0.403 0.000 0.976 308 Q CA 1.767 57.716 55.803 0.243 0.000 0.875 308 Q CB -0.132 28.716 28.738 0.183 0.000 0.927 308 Q HN 0.903 nan 8.270 nan 0.000 0.450 309 E N -1.773 118.674 120.200 0.412 0.000 3.521 309 E HA 0.237 4.587 4.350 0.000 0.000 0.183 309 E C -0.490 176.371 176.600 0.436 0.000 0.981 309 E CA -0.288 56.385 56.400 0.455 0.000 1.349 309 E CB 0.554 30.425 29.700 0.285 0.000 1.102 309 E HN -0.122 nan 8.360 nan 0.000 0.449 310 R N 1.465 122.222 120.500 0.428 0.000 2.502 310 R HA 0.524 4.864 4.340 0.000 0.000 0.298 310 R C -1.652 174.617 176.300 -0.051 0.000 1.018 310 R CA -0.544 55.665 56.100 0.182 0.000 0.899 310 R CB 1.725 32.045 30.300 0.033 0.000 1.181 310 R HN 0.338 nan 8.270 nan 0.000 0.444 311 I N 2.724 123.108 120.570 -0.310 0.000 2.530 311 I HA 0.408 4.578 4.170 0.000 0.000 0.297 311 I C -0.691 175.084 176.117 -0.569 0.000 1.011 311 I CA -0.445 60.400 61.300 -0.760 0.000 1.107 311 I CB 2.092 39.265 38.000 -1.378 0.000 1.285 311 I HN 0.720 nan 8.210 nan 0.000 0.436 312 S N 7.264 122.605 115.700 -0.599 0.000 2.473 312 S HA 0.784 5.254 4.470 0.000 0.000 0.307 312 S C -1.081 173.202 174.600 -0.527 0.000 1.094 312 S CA -0.739 57.197 58.200 -0.440 0.000 1.070 312 S CB 1.634 64.661 63.200 -0.288 0.000 1.019 312 S HN 0.403 nan 8.310 nan 0.000 0.480 313 L N 2.248 123.189 121.223 -0.469 0.000 2.386 313 L HA 0.575 4.915 4.340 0.000 0.000 0.271 313 L C -0.074 176.536 176.870 -0.433 0.000 0.993 313 L CA -0.371 54.092 54.840 -0.627 0.000 0.819 313 L CB 1.907 43.517 42.059 -0.748 0.000 1.294 313 L HN 0.749 nan 8.230 nan 0.000 0.414 314 Q N 1.384 120.875 119.800 -0.515 0.000 2.312 314 Q HA 0.549 4.889 4.340 0.000 0.000 0.263 314 Q C -1.721 174.055 176.000 -0.374 0.000 0.995 314 Q CA -0.513 55.117 55.803 -0.288 0.000 0.853 314 Q CB 2.177 30.787 28.738 -0.214 0.000 1.300 314 Q HN 0.505 nan 8.270 nan 0.000 0.448 315 W N 2.450 123.696 121.300 -0.091 0.000 2.761 315 W HA 0.629 5.289 4.660 0.000 0.000 0.340 315 W C -1.041 175.493 176.519 0.025 0.000 1.072 315 W CA -0.622 56.719 57.345 -0.007 0.000 1.215 315 W CB 1.189 30.631 29.460 -0.031 0.000 1.420 315 W HN 0.393 nan 8.180 nan 0.000 0.519 316 L N 2.467 123.909 121.223 0.366 0.000 2.408 316 L HA 0.608 4.949 4.340 0.000 0.000 0.268 316 L C -0.183 176.882 176.870 0.325 0.000 0.986 316 L CA -1.042 53.971 54.840 0.288 0.000 0.820 316 L CB 1.451 43.656 42.059 0.244 0.000 1.303 316 L HN 0.417 nan 8.230 nan 0.000 0.411 317 R N 2.505 123.162 120.500 0.262 0.000 2.615 317 R HA 0.295 4.635 4.340 0.000 0.000 0.270 317 R C 1.001 177.373 176.300 0.121 0.000 1.081 317 R CA -0.373 55.835 56.100 0.180 0.000 1.154 317 R CB 0.607 31.017 30.300 0.183 0.000 1.063 317 R HN 0.645 nan 8.270 nan 0.000 0.519 318 R N 1.203 121.687 120.500 -0.026 0.000 2.105 318 R HA -0.067 4.273 4.340 0.000 0.000 0.239 318 R C 0.385 176.744 176.300 0.098 0.000 1.135 318 R CA 1.101 57.190 56.100 -0.020 0.000 0.967 318 R CB 0.160 30.401 30.300 -0.098 0.000 0.861 318 R HN 0.406 nan 8.270 nan 0.000 0.442 319 I N 2.916 123.527 120.570 0.068 0.000 2.329 319 I HA -0.009 4.161 4.170 0.000 0.000 0.295 319 I C 0.524 176.704 176.117 0.104 0.000 1.109 319 I CA 0.522 61.861 61.300 0.066 0.000 1.297 319 I CB 0.978 39.004 38.000 0.044 0.000 1.433 319 I HN 0.244 nan 8.210 nan 0.000 0.509 320 Q N 4.180 124.036 119.800 0.092 0.000 2.362 320 Q HA -0.070 4.270 4.340 0.000 0.000 0.215 320 Q C 0.710 176.785 176.000 0.125 0.000 0.944 320 Q CA 0.135 56.003 55.803 0.108 0.000 0.964 320 Q CB -0.233 28.524 28.738 0.032 0.000 0.998 320 Q HN 0.649 nan 8.270 nan 0.000 0.488 321 N N -0.925 117.849 118.700 0.124 0.000 2.205 321 N HA -0.057 4.684 4.740 0.000 0.000 0.201 321 N C -0.797 174.810 175.510 0.162 0.000 1.128 321 N CA -0.120 52.994 53.050 0.106 0.000 0.867 321 N CB 0.234 38.759 38.487 0.063 0.000 0.996 321 N HN 0.184 nan 8.380 nan 0.000 0.503 322 Y N 0.280 120.604 120.300 0.040 0.000 2.391 322 Y HA 0.633 5.183 4.550 0.000 0.000 0.341 322 Y C -1.035 174.900 175.900 0.058 0.000 0.965 322 Y CA -1.084 57.038 58.100 0.038 0.000 1.067 322 Y CB 1.851 40.325 38.460 0.023 0.000 1.199 322 Y HN -0.001 nan 8.280 nan 0.000 0.450 323 S N 4.524 119.932 115.700 -0.487 0.000 2.546 323 S HA 0.872 5.342 4.470 0.000 0.000 0.274 323 S C -2.219 172.137 174.600 -0.408 0.000 1.121 323 S CA -0.509 57.517 58.200 -0.290 0.000 0.887 323 S CB 1.337 64.474 63.200 -0.105 0.000 1.094 323 S HN 0.520 nan 8.310 nan 0.000 0.474 324 V N 4.790 124.606 119.914 -0.165 0.000 2.638 324 V HA 0.538 4.658 4.120 0.000 0.000 0.306 324 V C -0.279 175.828 176.094 0.022 0.000 1.052 324 V CA -0.665 61.575 62.300 -0.100 0.000 0.885 324 V CB 1.842 33.628 31.823 -0.061 0.000 0.999 324 V HN 0.967 nan 8.190 nan 0.000 0.424 325 M N 3.386 122.986 119.600 -0.001 0.000 2.300 325 M HA 0.596 5.076 4.480 0.000 0.000 0.348 325 M C -1.426 174.899 176.300 0.041 0.000 1.151 325 M CA -0.207 55.082 55.300 -0.019 0.000 1.046 325 M CB 1.418 33.949 32.600 -0.115 0.000 1.647 325 M HN 0.758 nan 8.290 nan 0.000 0.451 326 D N 4.380 124.793 120.400 0.021 0.000 2.629 326 D HA 0.500 5.140 4.640 0.000 0.000 0.250 326 D C -1.393 174.882 176.300 -0.042 0.000 1.126 326 D CA -0.190 53.823 54.000 0.022 0.000 0.852 326 D CB 1.497 42.337 40.800 0.065 0.000 1.335 326 D HN 0.549 nan 8.370 nan 0.000 0.518 327 I N 3.495 124.064 120.570 -0.001 0.000 2.355 327 I HA 0.359 4.529 4.170 0.000 0.000 0.288 327 I C -0.584 175.530 176.117 -0.006 0.000 0.999 327 I CA -0.652 60.634 61.300 -0.022 0.000 1.163 327 I CB 1.216 39.257 38.000 0.068 0.000 1.316 327 I HN 0.290 nan 8.210 nan 0.000 0.454 328 c N 4.185 122.770 118.600 -0.026 0.000 2.408 328 c HA 0.518 5.088 4.570 0.000 0.000 0.321 328 c C -0.398 173.828 174.090 0.227 0.000 1.245 328 c CA -0.828 55.558 56.329 0.094 0.000 1.523 328 c CB 1.133 43.708 42.510 0.108 0.000 2.178 328 c HN 0.585 nan 8.230 nan 0.000 0.488 329 D N 0.405 120.921 120.400 0.193 0.000 2.198 329 D HA 0.258 4.898 4.640 0.000 0.000 0.247 329 D C -0.677 175.570 176.300 -0.089 0.000 1.010 329 D CA -0.270 53.800 54.000 0.116 0.000 0.880 329 D CB 0.949 41.767 40.800 0.029 0.000 1.209 329 D HN 0.603 nan 8.370 nan 0.000 0.451 330 Y N 1.437 121.365 120.300 -0.619 0.000 2.486 330 Y HA 0.152 4.702 4.550 0.000 0.000 0.348 330 Y C -0.088 175.486 175.900 -0.544 0.000 1.000 330 Y CA -0.725 56.651 58.100 -1.207 0.000 1.253 330 Y CB 0.309 37.843 38.460 -1.543 0.000 1.140 330 Y HN 0.156 nan 8.280 nan 0.000 0.526 331 D N 5.370 125.223 120.400 -0.911 0.000 2.383 331 D HA -0.033 4.607 4.640 0.000 0.000 0.245 331 D C 1.118 176.818 176.300 -1.000 0.000 1.263 331 D CA 0.317 53.910 54.000 -0.679 0.000 0.936 331 D CB 0.353 40.924 40.800 -0.382 0.000 1.053 331 D HN 0.833 nan 8.370 nan 0.000 0.507 332 E N 2.344 122.016 120.200 -0.880 0.000 2.401 332 E HA -0.206 4.145 4.350 0.000 0.000 0.199 332 E C 1.206 177.634 176.600 -0.286 0.000 1.023 332 E CA 0.687 56.726 56.400 -0.602 0.000 0.859 332 E CB 0.311 29.915 29.700 -0.160 0.000 0.780 332 E HN 0.449 nan 8.360 nan 0.000 0.523 333 S N -0.709 114.834 115.700 -0.262 0.000 2.327 333 S HA -0.063 4.408 4.470 0.000 0.000 0.213 333 S C 2.064 176.590 174.600 -0.123 0.000 1.032 333 S CA 1.231 59.346 58.200 -0.141 0.000 0.960 333 S CB -0.090 63.041 63.200 -0.114 0.000 0.900 333 S HN 0.178 nan 8.310 nan 0.000 0.469 334 S N -0.381 115.225 115.700 -0.156 0.000 2.522 334 S HA 0.262 4.732 4.470 0.000 0.000 0.227 334 S C 1.444 175.992 174.600 -0.087 0.000 0.986 334 S CA 1.142 59.283 58.200 -0.098 0.000 0.929 334 S CB -0.909 62.237 63.200 -0.090 0.000 0.769 334 S HN 1.432 nan 8.310 nan 0.000 0.529 335 G N 1.345 110.023 108.800 -0.203 0.000 2.189 335 G HA2 -0.252 3.708 3.960 0.000 0.000 0.267 335 G HA3 -0.252 3.708 3.960 0.000 0.000 0.267 335 G C 0.331 175.251 174.900 0.033 0.000 0.975 335 G CA 0.596 45.657 45.100 -0.064 0.000 0.644 335 G HN 0.480 nan 8.290 nan 0.000 0.537 336 R N -1.345 119.090 120.500 -0.110 0.000 2.523 336 R HA 0.638 4.979 4.340 0.000 0.000 0.229 336 R C -0.503 175.699 176.300 -0.164 0.000 1.265 336 R CA -0.751 55.364 56.100 0.024 0.000 1.081 336 R CB 0.040 30.362 30.300 0.036 0.000 1.540 336 R HN 0.214 nan 8.270 nan 0.000 0.560 337 W N 0.303 121.626 121.300 0.038 0.000 2.424 337 W HA 0.335 4.995 4.660 0.000 0.000 0.318 337 W C -0.529 175.976 176.519 -0.023 0.000 1.016 337 W CA -0.439 56.917 57.345 0.017 0.000 1.268 337 W CB 0.922 30.389 29.460 0.012 0.000 1.297 337 W HN 0.306 nan 8.180 nan 0.000 0.428 338 N N 2.191 120.938 118.700 0.078 0.000 2.426 338 N HA 0.357 5.097 4.740 0.000 0.000 0.257 338 N C -1.203 174.345 175.510 0.063 0.000 1.002 338 N CA -0.218 52.859 53.050 0.045 0.000 0.942 338 N CB 0.699 39.175 38.487 -0.018 0.000 1.112 338 N HN 0.239 nan 8.380 nan 0.000 0.499 339 c N 3.943 122.574 118.600 0.051 0.000 2.184 339 c HA 0.296 4.866 4.570 0.000 0.000 0.328 339 c C 0.722 174.816 174.090 0.007 0.000 1.081 339 c CA -1.195 55.153 56.329 0.032 0.000 1.533 339 c CB -1.267 41.252 42.510 0.015 0.000 1.905 339 c HN 0.589 nan 8.230 nan 0.000 0.439 340 L N 3.306 124.535 121.223 0.010 0.000 2.615 340 L HA -0.020 4.320 4.340 0.000 0.000 0.271 340 L C 1.602 178.465 176.870 -0.012 0.000 1.183 340 L CA 0.436 55.275 54.840 -0.001 0.000 0.933 340 L CB 0.834 42.896 42.059 0.006 0.000 1.199 340 L HN 0.758 nan 8.230 nan 0.000 0.487 341 V N 5.362 125.261 119.914 -0.026 0.000 2.568 341 V HA -0.245 3.876 4.120 0.000 0.000 0.253 341 V C 2.147 178.216 176.094 -0.042 0.000 1.072 341 V CA 2.130 64.407 62.300 -0.038 0.000 1.084 341 V CB -0.124 31.672 31.823 -0.045 0.000 0.676 341 V HN 0.969 nan 8.190 nan 0.000 0.469 342 A N 0.093 122.892 122.820 -0.037 0.000 2.015 342 A HA -0.127 4.193 4.320 0.000 0.000 0.219 342 A C 2.277 179.823 177.584 -0.064 0.000 1.163 342 A CA 1.595 53.604 52.037 -0.046 0.000 0.646 342 A CB -0.572 18.408 19.000 -0.032 0.000 0.806 342 A HN 0.613 nan 8.150 nan 0.000 0.448 343 R N -0.143 120.337 120.500 -0.033 0.000 2.323 343 R HA 0.056 4.396 4.340 0.000 0.000 0.198 343 R C 0.184 176.455 176.300 -0.047 0.000 0.988 343 R CA -0.015 56.080 56.100 -0.009 0.000 1.041 343 R CB -0.015 30.327 30.300 0.071 0.000 0.926 343 R HN 0.668 nan 8.270 nan 0.000 0.476 344 Q N 0.088 119.836 119.800 -0.086 0.000 2.395 344 Q HA 0.014 4.354 4.340 0.000 0.000 0.271 344 Q C -0.812 175.046 176.000 -0.237 0.000 1.026 344 Q CA 0.682 56.444 55.803 -0.069 0.000 0.900 344 Q CB 0.670 29.376 28.738 -0.054 0.000 1.266 344 Q HN 0.226 nan 8.270 nan 0.000 0.430 345 H N 0.837 119.892 119.070 -0.025 0.000 2.727 345 H HA 0.391 4.947 4.556 0.000 0.000 0.330 345 H C -0.693 174.587 175.328 -0.080 0.000 0.986 345 H CA -0.356 55.674 56.048 -0.030 0.000 1.251 345 H CB 0.822 30.554 29.762 -0.051 0.000 1.493 345 H HN 0.429 nan 8.280 nan 0.000 0.515 346 I N 1.987 122.556 120.570 -0.002 0.000 2.577 346 I HA 0.249 4.419 4.170 0.000 0.000 0.300 346 I C 0.145 176.222 176.117 -0.066 0.000 0.990 346 I CA -0.150 61.077 61.300 -0.121 0.000 1.283 346 I CB 1.255 39.194 38.000 -0.102 0.000 1.411 346 I HN 0.572 nan 8.210 nan 0.000 0.515 347 E N 7.206 127.312 120.200 -0.157 0.000 2.317 347 E HA 0.439 4.790 4.350 0.000 0.000 0.270 347 E C -1.356 175.187 176.600 -0.095 0.000 0.899 347 E CA -0.591 55.773 56.400 -0.061 0.000 0.814 347 E CB 1.420 31.099 29.700 -0.035 0.000 1.296 347 E HN 0.598 nan 8.360 nan 0.000 0.404 348 M N 1.034 120.623 119.600 -0.019 0.000 2.691 348 M HA 0.671 5.151 4.480 0.000 0.000 0.293 348 M C -1.123 175.193 176.300 0.027 0.000 1.259 348 M CA -0.937 54.376 55.300 0.022 0.000 0.827 348 M CB 2.246 34.913 32.600 0.111 0.000 1.753 348 M HN 0.251 nan 8.290 nan 0.000 0.465 349 S N -0.268 115.445 115.700 0.023 0.000 2.557 349 S HA 0.506 4.976 4.470 0.000 0.000 0.291 349 S C 0.342 174.932 174.600 -0.017 0.000 1.116 349 S CA -0.000 58.191 58.200 -0.014 0.000 0.992 349 S CB 1.634 64.790 63.200 -0.075 0.000 1.028 349 S HN 0.896 nan 8.310 nan 0.000 0.484 350 T N 0.206 114.750 114.554 -0.016 0.000 3.051 350 T HA 0.030 4.380 4.350 0.000 0.000 0.255 350 T C 1.526 176.203 174.700 -0.039 0.000 1.085 350 T CA 1.075 63.166 62.100 -0.015 0.000 1.109 350 T CB -0.429 68.437 68.868 -0.004 0.000 0.921 350 T HN 0.693 nan 8.240 nan 0.000 0.488 351 T N -2.256 112.262 114.554 -0.059 0.000 3.022 351 T HA 0.619 4.969 4.350 0.000 0.000 0.250 351 T C 1.062 175.584 174.700 -0.296 0.000 1.060 351 T CA 0.338 62.394 62.100 -0.074 0.000 1.013 351 T CB 0.437 69.331 68.868 0.043 0.000 0.982 351 T HN 0.623 nan 8.240 nan 0.000 0.508 352 G N 0.396 108.889 108.800 -0.513 0.000 2.619 352 G HA2 0.465 4.425 3.960 0.000 0.000 0.146 352 G HA3 0.465 4.425 3.960 0.000 0.000 0.146 352 G C -1.570 173.076 174.900 -0.424 0.000 1.192 352 G CA -0.515 44.089 45.100 -0.828 0.000 1.063 352 G HN 0.488 nan 8.290 nan 0.000 0.538 353 W N -0.128 120.927 121.300 -0.409 0.000 2.365 353 W HA 0.773 5.433 4.660 0.000 0.000 0.410 353 W C -0.419 176.055 176.519 -0.075 0.000 1.634 353 W CA -1.260 55.965 57.345 -0.199 0.000 1.761 353 W CB 0.551 29.861 29.460 -0.250 0.000 1.485 353 W HN 0.281 nan 8.180 nan 0.000 0.706 354 V N 2.706 122.702 119.914 0.136 0.000 2.427 354 V HA 0.716 4.837 4.120 0.000 0.000 0.286 354 V C 0.738 176.917 176.094 0.141 0.000 1.034 354 V CA 0.278 62.612 62.300 0.056 0.000 0.893 354 V CB 0.083 31.938 31.823 0.054 0.000 0.982 354 V HN 1.301 nan 8.190 nan 0.000 0.452 355 G N 5.184 114.015 108.800 0.053 0.000 2.796 355 G HA2 -0.189 3.771 3.960 0.000 0.000 0.571 355 G HA3 -0.189 3.771 3.960 0.000 0.000 0.571 355 G C 0.348 175.352 174.900 0.174 0.000 1.370 355 G CA 0.224 45.390 45.100 0.109 0.000 0.856 355 G HN 0.651 nan 8.290 nan 0.000 0.538 356 R N -0.863 119.742 120.500 0.174 0.000 2.057 356 R HA 0.152 4.492 4.340 0.000 0.000 0.229 356 R C 1.978 178.290 176.300 0.020 0.000 1.136 356 R CA 2.095 58.259 56.100 0.106 0.000 0.952 356 R CB -0.082 30.289 30.300 0.119 0.000 0.848 356 R HN 0.463 nan 8.270 nan 0.000 0.430 357 F N -0.655 119.450 119.950 0.259 0.000 2.784 357 F HA 0.269 4.796 4.527 0.000 0.000 0.323 357 F C 0.163 175.996 175.800 0.055 0.000 1.085 357 F CA -0.484 57.601 58.000 0.142 0.000 1.196 357 F CB 0.797 39.880 39.000 0.140 0.000 1.053 357 F HN -0.087 nan 8.300 nan 0.000 0.578 358 R N -1.756 118.894 120.500 0.250 0.000 2.828 358 R HA 0.361 4.701 4.340 0.000 0.000 0.280 358 R C -3.373 173.003 176.300 0.127 0.000 1.020 358 R CA -1.855 54.324 56.100 0.132 0.000 0.855 358 R CB -0.136 30.201 30.300 0.062 0.000 1.278 358 R HN -0.371 nan 8.270 nan 0.000 0.495 359 P HA -0.045 nan 4.420 nan 0.000 0.264 359 P C -0.275 177.060 177.300 0.058 0.000 1.179 359 P CA 0.209 63.339 63.100 0.049 0.000 0.763 359 P CB 0.647 32.348 31.700 0.002 0.000 0.806 360 S N 1.391 117.131 115.700 0.067 0.000 2.600 360 S HA 0.123 4.593 4.470 0.000 0.000 0.265 360 S C 0.049 174.674 174.600 0.043 0.000 1.325 360 S CA -0.746 57.509 58.200 0.092 0.000 1.002 360 S CB 0.502 63.778 63.200 0.126 0.000 0.921 360 S HN 0.576 nan 8.310 nan 0.000 0.554 361 E N 1.869 122.115 120.200 0.077 0.000 2.313 361 E HA 0.322 4.672 4.350 0.000 0.000 0.276 361 E C -2.480 174.113 176.600 -0.011 0.000 1.031 361 E CA -2.102 54.296 56.400 -0.003 0.000 0.857 361 E CB 0.680 30.385 29.700 0.009 0.000 1.040 361 E HN 0.472 nan 8.360 nan 0.000 0.408 362 P HA 0.195 nan 4.420 nan 0.000 0.288 362 P C -1.191 175.985 177.300 -0.207 0.000 1.267 362 P CA -0.381 62.573 63.100 -0.243 0.000 0.815 362 P CB 0.898 32.137 31.700 -0.769 0.000 0.989 363 H N 2.694 121.770 119.070 0.009 0.000 2.685 363 H HA 0.285 4.841 4.556 0.000 0.000 0.307 363 H C -0.213 175.229 175.328 0.189 0.000 1.017 363 H CA -0.377 55.771 56.048 0.166 0.000 1.237 363 H CB 0.328 30.216 29.762 0.209 0.000 1.409 363 H HN 0.310 nan 8.280 nan 0.000 0.488 364 F N 1.870 121.990 119.950 0.283 0.000 2.389 364 F HA 0.052 4.579 4.527 0.000 0.000 0.337 364 F C 1.652 177.642 175.800 0.316 0.000 1.112 364 F CA -0.411 57.772 58.000 0.306 0.000 1.192 364 F CB 0.910 40.020 39.000 0.183 0.000 1.185 364 F HN 0.382 nan 8.300 nan 0.000 0.552 365 T N 0.704 115.554 114.554 0.493 0.000 2.726 365 T HA 0.079 4.430 4.350 0.000 0.000 0.294 365 T C 1.322 176.218 174.700 0.326 0.000 1.013 365 T CA -0.895 61.439 62.100 0.389 0.000 0.996 365 T CB 0.643 69.731 68.868 0.367 0.000 1.016 365 T HN 0.551 nan 8.240 nan 0.000 0.529 366 L N 1.158 122.528 121.223 0.246 0.000 2.081 366 L HA -0.114 4.226 4.340 0.000 0.000 0.212 366 L C 1.842 178.826 176.870 0.189 0.000 1.080 366 L CA 2.566 57.525 54.840 0.198 0.000 0.754 366 L CB -1.264 40.887 42.059 0.154 0.000 0.893 366 L HN 0.938 nan 8.230 nan 0.000 0.433 367 D N -2.051 118.465 120.400 0.194 0.000 2.339 367 D HA 0.075 4.715 4.640 0.000 0.000 0.217 367 D C 1.475 177.890 176.300 0.191 0.000 1.050 367 D CA 0.784 54.886 54.000 0.170 0.000 0.856 367 D CB -0.203 40.685 40.800 0.146 0.000 0.922 367 D HN 0.337 nan 8.370 nan 0.000 0.518 368 G N 0.839 109.796 108.800 0.261 0.000 2.168 368 G HA2 -0.369 3.591 3.960 0.000 0.000 0.263 368 G HA3 -0.369 3.591 3.960 0.000 0.000 0.263 368 G C 0.971 176.093 174.900 0.371 0.000 0.977 368 G CA 0.429 45.714 45.100 0.308 0.000 0.659 368 G HN 0.388 nan 8.290 nan 0.000 0.533 369 N N 0.297 119.169 118.700 0.287 0.000 2.412 369 N HA 0.162 4.902 4.740 0.000 0.000 0.184 369 N C 0.923 176.544 175.510 0.184 0.000 1.101 369 N CA 1.175 54.358 53.050 0.222 0.000 0.881 369 N CB 0.388 38.962 38.487 0.145 0.000 0.969 369 N HN 0.884 nan 8.380 nan 0.000 0.459 370 S N -0.315 115.521 115.700 0.227 0.000 2.607 370 S HA 0.774 5.244 4.470 0.000 0.000 0.273 370 S C -0.930 173.698 174.600 0.045 0.000 1.148 370 S CA -0.988 57.190 58.200 -0.037 0.000 0.833 370 S CB 1.890 65.026 63.200 -0.107 0.000 1.130 370 S HN 0.135 nan 8.310 nan 0.000 0.470 371 F N -1.971 117.756 119.950 -0.372 0.000 2.693 371 F HA 0.791 5.318 4.527 0.000 0.000 0.309 371 F C -2.309 173.284 175.800 -0.344 0.000 1.129 371 F CA -1.534 56.211 58.000 -0.425 0.000 0.948 371 F CB 0.560 38.860 39.000 -1.167 0.000 1.315 371 F HN 0.585 nan 8.300 nan 0.000 0.447 372 Y N 1.442 121.898 120.300 0.259 0.000 2.377 372 Y HA 0.690 5.241 4.550 0.000 0.000 0.339 372 Y C -0.162 175.914 175.900 0.293 0.000 1.011 372 Y CA -0.844 57.395 58.100 0.232 0.000 1.093 372 Y CB 2.060 40.603 38.460 0.139 0.000 1.201 372 Y HN 0.735 nan 8.280 nan 0.000 0.455 373 K N 3.377 124.010 120.400 0.388 0.000 2.543 373 K HA 0.520 4.840 4.320 0.000 0.000 0.255 373 K C -1.714 175.028 176.600 0.236 0.000 0.934 373 K CA -0.570 55.898 56.287 0.301 0.000 0.810 373 K CB 1.622 34.261 32.500 0.231 0.000 1.315 373 K HN 0.729 nan 8.250 nan 0.000 0.433 374 I N 6.318 126.998 120.570 0.183 0.000 2.416 374 I HA 0.285 4.455 4.170 0.000 0.000 0.288 374 I C 0.204 176.412 176.117 0.151 0.000 1.051 374 I CA -0.409 60.979 61.300 0.147 0.000 1.375 374 I CB 0.446 38.515 38.000 0.116 0.000 1.407 374 I HN 0.492 nan 8.210 nan 0.000 0.516 375 I N 2.467 123.150 120.570 0.189 0.000 2.994 375 I HA 0.524 4.694 4.170 0.000 0.000 0.306 375 I C -0.167 176.076 176.117 0.210 0.000 1.195 375 I CA -0.804 60.604 61.300 0.181 0.000 1.001 375 I CB 2.325 40.449 38.000 0.208 0.000 1.244 375 I HN 0.496 nan 8.210 nan 0.000 0.437 376 S N 2.986 118.743 115.700 0.095 0.000 2.523 376 S HA 0.294 4.765 4.470 0.000 0.000 0.275 376 S C -0.077 174.553 174.600 0.049 0.000 1.281 376 S CA -0.697 57.505 58.200 0.002 0.000 1.050 376 S CB 0.126 63.249 63.200 -0.128 0.000 0.937 376 S HN 0.897 nan 8.310 nan 0.000 0.492 377 N N 2.325 120.947 118.700 -0.131 0.000 2.328 377 N HA 0.132 4.872 4.740 0.000 0.000 0.277 377 N C 0.320 175.731 175.510 -0.164 0.000 1.286 377 N CA -0.802 52.044 53.050 -0.339 0.000 0.949 377 N CB 0.313 38.226 38.487 -0.957 0.000 1.136 377 N HN 0.565 nan 8.380 nan 0.000 0.550 378 E N -0.034 120.069 120.200 -0.161 0.000 2.265 378 E HA -0.154 4.196 4.350 0.000 0.000 0.196 378 E C 0.928 177.476 176.600 -0.086 0.000 0.996 378 E CA 0.971 57.318 56.400 -0.088 0.000 0.832 378 E CB -0.221 29.436 29.700 -0.072 0.000 0.756 378 E HN 0.600 nan 8.360 nan 0.000 0.491 379 E N -0.413 119.730 120.200 -0.094 0.000 2.478 379 E HA 0.033 4.383 4.350 0.000 0.000 0.194 379 E C 0.806 177.371 176.600 -0.059 0.000 1.045 379 E CA 0.492 56.884 56.400 -0.014 0.000 0.868 379 E CB 0.405 30.145 29.700 0.066 0.000 0.885 379 E HN 0.348 nan 8.360 nan 0.000 0.505 380 G N 0.913 109.621 108.800 -0.153 0.000 2.157 380 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 380 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 380 G C -0.207 174.404 174.900 -0.482 0.000 0.979 380 G CA 0.192 45.101 45.100 -0.318 0.000 0.650 380 G HN 0.212 nan 8.290 nan 0.000 0.529 381 Y N 0.372 120.540 120.300 -0.220 0.000 2.330 381 Y HA 0.631 5.181 4.550 0.000 0.000 0.336 381 Y C 1.166 176.885 175.900 -0.300 0.000 1.036 381 Y CA -0.869 57.075 58.100 -0.259 0.000 1.125 381 Y CB 1.013 39.333 38.460 -0.234 0.000 1.194 381 Y HN 0.081 nan 8.280 nan 0.000 0.469 382 R N 3.837 124.194 120.500 -0.238 0.000 2.296 382 R HA 0.240 4.580 4.340 0.000 0.000 0.323 382 R C -0.739 175.273 176.300 -0.480 0.000 1.067 382 R CA 0.088 56.057 56.100 -0.219 0.000 0.946 382 R CB 0.045 30.271 30.300 -0.123 0.000 0.991 382 R HN 0.652 nan 8.270 nan 0.000 0.448 383 H N 1.723 120.768 119.070 -0.042 0.000 2.949 383 H HA 0.351 4.907 4.556 0.000 0.000 0.356 383 H C -0.124 175.271 175.328 0.112 0.000 1.212 383 H CA -0.903 55.095 56.048 -0.082 0.000 1.136 383 H CB 1.572 31.193 29.762 -0.235 0.000 1.869 383 H HN 0.311 nan 8.280 nan 0.000 0.556 384 I N 2.087 122.738 120.570 0.135 0.000 2.441 384 I HA 0.129 4.299 4.170 0.000 0.000 0.287 384 I C 0.613 176.735 176.117 0.007 0.000 1.049 384 I CA -0.255 61.082 61.300 0.061 0.000 1.381 384 I CB 0.364 38.326 38.000 -0.063 0.000 1.409 384 I HN 0.425 nan 8.210 nan 0.000 0.523 385 c N 5.155 123.663 118.600 -0.154 0.000 2.626 385 c HA 0.519 5.090 4.570 0.000 0.000 0.310 385 c C -0.460 173.403 174.090 -0.379 0.000 1.191 385 c CA -1.036 54.984 56.329 -0.515 0.000 1.517 385 c CB 1.024 42.725 42.510 -1.348 0.000 2.102 385 c HN 0.725 nan 8.230 nan 0.000 0.479 386 Y N 2.312 122.239 120.300 -0.621 0.000 2.316 386 Y HA 0.690 5.240 4.550 0.000 0.000 0.331 386 Y C -0.980 174.430 175.900 -0.817 0.000 1.083 386 Y CA -0.903 56.760 58.100 -0.728 0.000 1.206 386 Y CB 0.427 38.560 38.460 -0.546 0.000 1.195 386 Y HN 0.739 nan 8.280 nan 0.000 0.497 387 F N 3.378 122.545 119.950 -1.305 0.000 2.577 387 F HA 0.472 4.999 4.527 0.000 0.000 0.318 387 F C -0.439 174.547 175.800 -1.357 0.000 1.065 387 F CA -0.970 56.231 58.000 -1.331 0.000 0.929 387 F CB 2.015 39.879 39.000 -1.894 0.000 1.237 387 F HN 0.301 nan 8.300 nan 0.000 0.468 388 Q N 1.727 121.162 119.800 -0.608 0.000 2.312 388 Q HA 0.411 4.751 4.340 0.000 0.000 0.263 388 Q C 0.998 176.947 176.000 -0.086 0.000 0.995 388 Q CA -0.458 55.123 55.803 -0.370 0.000 0.853 388 Q CB 1.848 30.438 28.738 -0.247 0.000 1.300 388 Q HN 0.695 nan 8.270 nan 0.000 0.448 389 I N -0.578 120.034 120.570 0.071 0.000 2.399 389 I HA -0.147 4.023 4.170 0.000 0.000 0.254 389 I C 0.350 176.621 176.117 0.256 0.000 1.146 389 I CA 1.259 62.729 61.300 0.284 0.000 1.412 389 I CB -0.069 38.106 38.000 0.291 0.000 1.076 389 I HN 0.499 nan 8.210 nan 0.000 0.432 390 D N 2.353 122.823 120.400 0.117 0.000 2.540 390 D HA 0.301 4.942 4.640 0.000 0.000 0.251 390 D C -0.441 175.874 176.300 0.025 0.000 1.159 390 D CA -0.369 53.667 54.000 0.061 0.000 0.974 390 D CB 0.828 41.649 40.800 0.036 0.000 0.996 390 D HN 0.148 nan 8.370 nan 0.000 0.512 391 K N 1.850 122.279 120.400 0.047 0.000 2.474 391 K HA 0.009 4.329 4.320 0.000 0.000 0.313 391 K C 0.256 176.902 176.600 0.076 0.000 1.204 391 K CA -0.314 55.978 56.287 0.009 0.000 1.122 391 K CB 1.150 33.619 32.500 -0.051 0.000 1.407 391 K HN -0.020 nan 8.250 nan 0.000 0.450 392 K N 0.271 120.668 120.400 -0.004 0.000 2.217 392 K HA 0.037 4.357 4.320 0.000 0.000 0.202 392 K C 0.034 176.678 176.600 0.073 0.000 1.051 392 K CA 0.776 57.081 56.287 0.031 0.000 0.952 392 K CB 0.233 32.703 32.500 -0.050 0.000 0.736 392 K HN 0.460 nan 8.250 nan 0.000 0.453 393 D N 1.552 121.930 120.400 -0.037 0.000 2.277 393 D HA 0.060 4.700 4.640 0.000 0.000 0.249 393 D C 0.399 176.515 176.300 -0.307 0.000 1.134 393 D CA -0.161 53.763 54.000 -0.127 0.000 0.863 393 D CB 1.156 41.895 40.800 -0.102 0.000 1.143 393 D HN 0.156 nan 8.370 nan 0.000 0.458 394 c N 0.884 119.147 118.600 -0.561 0.000 2.401 394 c HA 0.765 5.336 4.570 0.000 0.000 0.356 394 c C 0.281 173.973 174.090 -0.664 0.000 1.192 394 c CA -0.530 55.211 56.329 -0.981 0.000 2.028 394 c CB 1.219 42.416 42.510 -2.188 0.000 2.344 394 c HN 0.464 nan 8.230 nan 0.000 0.525 395 T N 2.165 116.368 114.554 -0.586 0.000 2.792 395 T HA 0.496 4.846 4.350 0.000 0.000 0.280 395 T C -0.715 173.746 174.700 -0.398 0.000 0.990 395 T CA 0.164 62.072 62.100 -0.320 0.000 0.960 395 T CB 0.361 69.189 68.868 -0.067 0.000 0.939 395 T HN 0.502 nan 8.240 nan 0.000 0.439 396 F N 3.330 123.154 119.950 -0.210 0.000 2.443 396 F HA 0.299 4.827 4.527 0.000 0.000 0.353 396 F C 1.563 177.178 175.800 -0.309 0.000 1.101 396 F CA -0.747 57.113 58.000 -0.233 0.000 1.226 396 F CB 0.565 39.443 39.000 -0.203 0.000 1.140 396 F HN 0.559 nan 8.300 nan 0.000 0.557 397 I N -0.852 119.589 120.570 -0.215 0.000 4.139 397 I HA 0.250 4.420 4.170 0.000 0.000 0.335 397 I C 0.019 176.003 176.117 -0.222 0.000 1.327 397 I CA -0.000 61.008 61.300 -0.485 0.000 1.112 397 I CB 0.176 37.603 38.000 -0.955 0.000 1.058 397 I HN 0.472 nan 8.210 nan 0.000 0.396 398 T N -1.547 112.910 114.554 -0.163 0.000 2.863 398 T HA 0.454 4.804 4.350 0.000 0.000 0.285 398 T C 0.189 174.517 174.700 -0.620 0.000 1.009 398 T CA -0.743 61.245 62.100 -0.187 0.000 0.989 398 T CB 2.567 71.389 68.868 -0.075 0.000 1.004 398 T HN 0.138 nan 8.240 nan 0.000 0.455 399 K N 1.061 121.208 120.400 -0.422 0.000 2.610 399 K HA 0.040 4.360 4.320 0.000 0.000 0.261 399 K C 1.412 177.327 176.600 -1.142 0.000 0.673 399 K CA 1.410 57.384 56.287 -0.522 0.000 0.841 399 K CB -0.723 31.912 32.500 0.225 0.000 0.275 399 K HN 0.820 nan 8.250 nan 0.000 1.061 400 G N -0.931 107.415 108.800 -0.756 0.000 2.694 400 G HA2 0.009 3.969 3.960 0.000 0.000 0.212 400 G HA3 0.009 3.969 3.960 0.000 0.000 0.212 400 G C -0.233 174.149 174.900 -0.864 0.000 2.030 400 G CA -0.270 44.405 45.100 -0.708 0.000 0.731 400 G HN 0.453 nan 8.290 nan 0.000 0.795 401 T N 2.307 116.447 114.554 -0.690 0.000 4.678 401 T HA 0.245 4.595 4.350 0.000 0.000 0.230 401 T C -0.631 173.953 174.700 -0.192 0.000 0.757 401 T CA 0.465 62.095 62.100 -0.783 0.000 0.966 401 T CB -1.384 67.272 68.868 -0.352 0.000 1.424 401 T HN 0.419 nan 8.240 nan 0.000 0.886 402 W N -0.647 120.505 121.300 -0.247 0.000 2.882 402 W HA 0.518 5.178 4.660 0.001 0.000 0.382 402 W C -1.451 175.052 176.519 -0.026 0.000 1.143 402 W CA -0.964 56.367 57.345 -0.024 0.000 1.155 402 W CB 0.705 30.146 29.460 -0.033 0.000 1.466 402 W HN -0.023 nan 8.180 nan 0.000 0.570 403 E N 0.654 121.018 120.200 0.273 0.000 2.367 403 E HA 0.452 4.802 4.350 0.000 0.000 0.273 403 E C -1.303 175.404 176.600 0.178 0.000 0.903 403 E CA -1.144 55.204 56.400 -0.087 0.000 0.764 403 E CB 3.377 33.083 29.700 0.010 0.000 1.252 403 E HN 0.168 nan 8.360 nan 0.000 0.446 404 V N 3.622 123.516 119.914 -0.033 0.000 2.488 404 V HA 0.014 4.134 4.120 0.000 0.000 0.277 404 V C 1.301 177.494 176.094 0.165 0.000 1.046 404 V CA -0.075 62.322 62.300 0.160 0.000 0.986 404 V CB 0.543 32.348 31.823 -0.030 0.000 0.989 404 V HN 0.682 nan 8.190 nan 0.000 0.475 405 I N 3.391 124.089 120.570 0.212 0.000 2.193 405 I HA 0.167 4.337 4.170 0.000 0.000 0.240 405 I C 1.163 177.401 176.117 0.201 0.000 1.084 405 I CA 1.388 62.800 61.300 0.186 0.000 1.365 405 I CB -0.891 37.158 38.000 0.083 0.000 1.064 405 I HN 0.746 nan 8.210 nan 0.000 0.410 406 G N 0.259 109.181 108.800 0.203 0.000 2.703 406 G HA2 0.555 4.515 3.960 0.000 0.000 0.294 406 G HA3 0.555 4.515 3.960 0.000 0.000 0.294 406 G C -1.230 173.775 174.900 0.176 0.000 1.451 406 G CA -0.548 44.667 45.100 0.192 0.000 0.869 406 G HN -0.022 nan 8.290 nan 0.000 0.516 407 I N 1.662 122.268 120.570 0.060 0.000 2.352 407 I HA 0.212 4.382 4.170 0.000 0.000 0.290 407 I C 0.759 176.847 176.117 -0.050 0.000 1.036 407 I CA -0.479 60.766 61.300 -0.092 0.000 1.336 407 I CB 1.650 39.329 38.000 -0.535 0.000 1.407 407 I HN 0.502 nan 8.210 nan 0.000 0.497 408 E N 5.032 125.277 120.200 0.074 0.000 2.251 408 E HA 0.293 4.644 4.350 0.000 0.000 0.194 408 E C 0.178 176.772 176.600 -0.011 0.000 0.964 408 E CA 0.243 56.722 56.400 0.132 0.000 0.868 408 E CB 0.717 30.574 29.700 0.262 0.000 0.828 408 E HN 0.673 nan 8.360 nan 0.000 0.481 409 A N 0.549 123.287 122.820 -0.136 0.000 2.589 409 A HA 0.647 4.967 4.320 0.000 0.000 0.296 409 A C -1.663 175.870 177.584 -0.086 0.000 1.062 409 A CA -0.580 51.265 52.037 -0.319 0.000 0.686 409 A CB 1.260 19.496 19.000 -1.274 0.000 1.282 409 A HN 0.087 nan 8.150 nan 0.000 0.404 410 L N 2.072 123.267 121.223 -0.047 0.000 2.409 410 L HA 0.785 5.125 4.340 0.000 0.000 0.272 410 L C -0.111 176.789 176.870 0.049 0.000 0.980 410 L CA -0.203 54.652 54.840 0.024 0.000 0.826 410 L CB 2.320 44.434 42.059 0.092 0.000 1.268 410 L HN 1.140 nan 8.230 nan 0.000 0.407 411 T N -1.506 113.096 114.554 0.080 0.000 2.864 411 T HA 0.273 4.624 4.350 0.000 0.000 0.289 411 T C 0.950 175.700 174.700 0.084 0.000 1.082 411 T CA 0.024 62.181 62.100 0.096 0.000 1.009 411 T CB 1.613 70.568 68.868 0.146 0.000 1.234 411 T HN 0.544 nan 8.240 nan 0.000 0.526 412 S N -0.154 115.594 115.700 0.080 0.000 2.447 412 S HA -0.092 4.378 4.470 0.000 0.000 0.233 412 S C 0.967 175.570 174.600 0.006 0.000 1.006 412 S CA 0.922 59.156 58.200 0.058 0.000 0.957 412 S CB -0.594 62.641 63.200 0.058 0.000 0.773 412 S HN 0.725 nan 8.310 nan 0.000 0.507 413 D N 0.248 120.665 120.400 0.028 0.000 2.154 413 D HA 0.119 4.759 4.640 0.000 0.000 0.211 413 D C -0.104 176.031 176.300 -0.276 0.000 0.977 413 D CA 1.075 55.035 54.000 -0.066 0.000 0.869 413 D CB -0.042 40.871 40.800 0.188 0.000 1.022 413 D HN 0.430 nan 8.370 nan 0.000 0.461 414 Y N -0.522 119.732 120.300 -0.077 0.000 2.605 414 Y HA 0.506 5.056 4.550 0.000 0.000 0.343 414 Y C -0.354 175.396 175.900 -0.250 0.000 1.036 414 Y CA -1.007 56.964 58.100 -0.215 0.000 1.065 414 Y CB 2.105 40.317 38.460 -0.413 0.000 1.288 414 Y HN -0.192 nan 8.280 nan 0.000 0.481 415 L N 1.959 123.089 121.223 -0.156 0.000 2.333 415 L HA 0.600 4.940 4.340 0.000 0.000 0.280 415 L C -1.864 174.904 176.870 -0.169 0.000 1.004 415 L CA -0.656 54.083 54.840 -0.169 0.000 0.820 415 L CB 0.858 42.719 42.059 -0.329 0.000 1.247 415 L HN 0.595 nan 8.230 nan 0.000 0.416 416 Y N 4.634 124.887 120.300 -0.080 0.000 2.342 416 Y HA 0.567 5.117 4.550 0.000 0.000 0.334 416 Y C -0.372 175.565 175.900 0.061 0.000 1.067 416 Y CA -0.423 57.640 58.100 -0.062 0.000 1.128 416 Y CB 1.348 39.706 38.460 -0.170 0.000 1.200 416 Y HN 0.534 nan 8.280 nan 0.000 0.464 417 Y N -0.150 120.229 120.300 0.131 0.000 2.670 417 Y HA 0.797 5.347 4.550 0.000 0.000 0.334 417 Y C -1.808 174.183 175.900 0.152 0.000 1.185 417 Y CA -1.886 56.278 58.100 0.107 0.000 1.053 417 Y CB 1.177 39.676 38.460 0.066 0.000 1.298 417 Y HN 0.410 nan 8.280 nan 0.000 0.459 418 I N 2.784 123.529 120.570 0.292 0.000 2.493 418 I HA 0.671 4.841 4.170 0.000 0.000 0.298 418 I C -0.430 175.874 176.117 0.312 0.000 0.998 418 I CA -0.555 60.857 61.300 0.187 0.000 1.137 418 I CB 2.140 40.206 38.000 0.109 0.000 1.310 418 I HN 0.919 nan 8.210 nan 0.000 0.445 419 S N 3.138 118.983 115.700 0.242 0.000 2.656 419 S HA 0.386 4.856 4.470 0.000 0.000 0.273 419 S C -0.718 173.945 174.600 0.105 0.000 1.168 419 S CA -0.848 57.496 58.200 0.239 0.000 0.817 419 S CB 1.769 65.178 63.200 0.349 0.000 1.146 419 S HN 0.653 nan 8.310 nan 0.000 0.475 420 N N -0.408 118.355 118.700 0.105 0.000 2.389 420 N HA 0.149 4.890 4.740 0.000 0.000 0.260 420 N C 0.473 175.967 175.510 -0.026 0.000 1.191 420 N CA -0.195 52.871 53.050 0.026 0.000 0.885 420 N CB 0.305 38.800 38.487 0.014 0.000 1.162 420 N HN 0.844 nan 8.380 nan 0.000 0.512 421 E N -0.158 119.877 120.200 -0.274 0.000 2.152 421 E HA -0.184 4.166 4.350 0.000 0.000 0.192 421 E C -0.349 176.090 176.600 -0.268 0.000 0.983 421 E CA 0.117 56.098 56.400 -0.698 0.000 0.818 421 E CB -0.087 28.471 29.700 -1.904 0.000 0.758 421 E HN 0.377 nan 8.360 nan 0.000 0.467 422 Y N 1.967 122.176 120.300 -0.151 0.000 2.805 422 Y HA -0.086 4.464 4.550 0.000 0.000 0.331 422 Y C 0.342 176.198 175.900 -0.073 0.000 1.241 422 Y CA 0.681 58.739 58.100 -0.070 0.000 1.546 422 Y CB 0.186 38.627 38.460 -0.032 0.000 1.248 422 Y HN 0.042 nan 8.280 nan 0.000 0.559 423 K N 3.556 123.613 120.400 -0.571 0.000 2.971 423 K HA -0.230 4.090 4.320 0.000 0.000 0.265 423 K C 0.782 177.294 176.600 -0.147 0.000 1.052 423 K CA 1.172 57.220 56.287 -0.398 0.000 0.780 423 K CB -1.613 30.621 32.500 -0.443 0.000 1.214 423 K HN 1.242 nan 8.250 nan 0.000 0.478 424 G N 0.030 108.761 108.800 -0.115 0.000 2.321 424 G HA2 -0.342 3.618 3.960 0.000 0.000 0.287 424 G HA3 -0.342 3.618 3.960 0.000 0.000 0.287 424 G C -0.002 174.859 174.900 -0.064 0.000 1.018 424 G CA 0.821 45.903 45.100 -0.029 0.000 0.855 424 G HN 0.350 nan 8.290 nan 0.000 0.507 425 M N 0.324 119.802 119.600 -0.203 0.000 2.069 425 M HA 0.246 4.726 4.480 0.000 0.000 0.349 425 M C -1.244 174.794 176.300 -0.436 0.000 1.194 425 M CA -2.011 52.962 55.300 -0.545 0.000 1.081 425 M CB 1.502 33.841 32.600 -0.434 0.000 1.500 425 M HN -0.094 nan 8.290 nan 0.000 0.438 426 P HA -0.092 nan 4.420 nan 0.000 0.228 426 P C 1.049 178.241 177.300 -0.181 0.000 1.151 426 P CA 1.217 64.184 63.100 -0.222 0.000 0.770 426 P CB 0.097 31.713 31.700 -0.140 0.000 0.786 427 G N -0.681 107.948 108.800 -0.286 0.000 3.189 427 G HA2 0.284 4.244 3.960 0.000 0.000 0.225 427 G HA3 0.284 4.244 3.960 0.000 0.000 0.225 427 G C 0.711 175.613 174.900 0.004 0.000 1.159 427 G CA 0.084 45.133 45.100 -0.086 0.000 0.763 427 G HN 0.408 nan 8.290 nan 0.000 0.549 428 G N -0.395 108.349 108.800 -0.094 0.000 2.488 428 G HA2 0.629 4.589 3.960 0.000 0.000 0.318 428 G HA3 0.629 4.589 3.960 0.000 0.000 0.318 428 G C -0.874 173.893 174.900 -0.222 0.000 1.188 428 G CA -0.930 44.135 45.100 -0.059 0.000 0.944 428 G HN 0.214 nan 8.290 nan 0.000 0.495 429 R N 0.270 120.605 120.500 -0.276 0.000 2.512 429 R HA 0.325 4.665 4.340 0.000 0.000 0.291 429 R C -1.194 175.052 176.300 -0.090 0.000 1.097 429 R CA -0.545 55.353 56.100 -0.337 0.000 0.940 429 R CB 1.186 30.952 30.300 -0.889 0.000 1.198 429 R HN 0.586 nan 8.270 nan 0.000 0.429 430 N N 2.649 121.329 118.700 -0.032 0.000 2.321 430 N HA 0.371 5.112 4.740 0.000 0.000 0.290 430 N C -1.671 173.733 175.510 -0.176 0.000 1.212 430 N CA -0.780 52.185 53.050 -0.142 0.000 0.767 430 N CB 2.246 40.526 38.487 -0.345 0.000 1.494 430 N HN 0.248 nan 8.380 nan 0.000 0.479 431 L N 2.062 123.046 121.223 -0.399 0.000 2.276 431 L HA 0.461 4.801 4.340 0.000 0.000 0.286 431 L C -1.404 175.151 176.870 -0.525 0.000 1.061 431 L CA -0.029 54.607 54.840 -0.340 0.000 0.807 431 L CB -0.113 41.731 42.059 -0.358 0.000 1.177 431 L HN 0.412 nan 8.230 nan 0.000 0.429 432 Y N 3.460 123.424 120.300 -0.561 0.000 2.570 432 Y HA 0.612 5.162 4.550 0.001 0.000 0.345 432 Y C -0.471 175.072 175.900 -0.595 0.000 1.014 432 Y CA -0.857 56.868 58.100 -0.624 0.000 1.063 432 Y CB 1.774 39.700 38.460 -0.890 0.000 1.272 432 Y HN 0.547 nan 8.280 nan 0.000 0.477 433 K N 2.437 122.685 120.400 -0.254 0.000 2.443 433 K HA 0.743 5.063 4.320 0.000 0.000 0.252 433 K C -1.919 174.657 176.600 -0.041 0.000 0.933 433 K CA -0.683 55.396 56.287 -0.348 0.000 0.792 433 K CB 2.564 34.634 32.500 -0.716 0.000 1.185 433 K HN 0.763 nan 8.250 nan 0.000 0.425 434 I N 1.776 122.392 120.570 0.077 0.000 2.530 434 I HA 0.203 4.373 4.170 0.000 0.000 0.297 434 I C -0.726 175.462 176.117 0.119 0.000 1.011 434 I CA -0.820 60.584 61.300 0.173 0.000 1.107 434 I CB 2.125 40.259 38.000 0.222 0.000 1.285 434 I HN 0.826 nan 8.210 nan 0.000 0.436 435 Q N 4.794 124.631 119.800 0.061 0.000 2.286 435 Q HA 0.110 4.450 4.340 0.000 0.000 0.267 435 Q C 0.359 176.295 176.000 -0.106 0.000 1.028 435 Q CA -0.472 55.199 55.803 -0.220 0.000 0.901 435 Q CB 1.165 29.791 28.738 -0.188 0.000 1.183 435 Q HN 0.704 nan 8.270 nan 0.000 0.392 436 L N 2.691 123.793 121.223 -0.201 0.000 2.201 436 L HA -0.160 4.180 4.340 0.000 0.000 0.212 436 L C 2.085 178.871 176.870 -0.140 0.000 1.105 436 L CA 1.699 56.498 54.840 -0.068 0.000 0.775 436 L CB -0.692 41.294 42.059 -0.122 0.000 0.913 436 L HN 0.691 nan 8.230 nan 0.000 0.440 437 S N -2.995 112.568 115.700 -0.229 0.000 2.524 437 S HA 0.072 4.542 4.470 0.000 0.000 0.216 437 S C 0.568 174.969 174.600 -0.332 0.000 0.987 437 S CA -0.084 57.960 58.200 -0.260 0.000 0.909 437 S CB 0.241 63.324 63.200 -0.195 0.000 0.781 437 S HN 0.361 nan 8.310 nan 0.000 0.521 438 D N -0.041 120.175 120.400 -0.306 0.000 2.365 438 D HA 0.223 4.863 4.640 0.000 0.000 0.235 438 D C -0.549 175.678 176.300 -0.121 0.000 1.368 438 D CA -0.572 53.268 54.000 -0.267 0.000 1.001 438 D CB 0.414 41.127 40.800 -0.145 0.000 1.364 438 D HN -0.018 nan 8.370 nan 0.000 0.577 439 Y N 1.101 121.373 120.300 -0.046 0.000 2.569 439 Y HA -0.081 4.469 4.550 0.000 0.000 0.293 439 Y C 2.505 178.408 175.900 0.004 0.000 1.144 439 Y CA 1.320 59.408 58.100 -0.021 0.000 1.321 439 Y CB -0.851 37.598 38.460 -0.017 0.000 0.982 439 Y HN 0.419 nan 8.280 nan 0.000 0.558 440 T N -3.115 111.507 114.554 0.113 0.000 3.129 440 T HA 0.031 4.381 4.350 0.000 0.000 0.251 440 T C 0.614 175.361 174.700 0.078 0.000 1.117 440 T CA -0.015 62.135 62.100 0.084 0.000 1.034 440 T CB -0.073 68.820 68.868 0.042 0.000 0.968 440 T HN -0.123 nan 8.240 nan 0.000 0.526 441 K N 2.577 123.024 120.400 0.078 0.000 2.244 441 K HA 0.491 4.812 4.320 0.000 0.000 0.263 441 K C -1.082 175.591 176.600 0.121 0.000 1.103 441 K CA -0.296 56.039 56.287 0.080 0.000 0.966 441 K CB 1.214 33.747 32.500 0.056 0.000 1.429 441 K HN 0.182 nan 8.250 nan 0.000 0.434 442 V N 2.276 122.264 119.914 0.124 0.000 2.448 442 V HA 0.341 4.461 4.120 0.000 0.000 0.295 442 V C -0.016 176.150 176.094 0.122 0.000 1.025 442 V CA -0.707 61.685 62.300 0.153 0.000 0.859 442 V CB 1.941 33.878 31.823 0.189 0.000 0.988 442 V HN 0.530 nan 8.190 nan 0.000 0.431 443 T N 3.430 118.031 114.554 0.077 0.000 2.792 443 T HA 0.271 4.621 4.350 0.000 0.000 0.280 443 T C -0.384 174.252 174.700 -0.108 0.000 0.990 443 T CA -0.268 61.824 62.100 -0.013 0.000 0.960 443 T CB 1.276 70.099 68.868 -0.076 0.000 0.939 443 T HN 0.795 nan 8.240 nan 0.000 0.439 444 C N 5.638 124.802 119.300 -0.227 0.000 2.415 444 C HA 0.384 4.844 4.460 0.000 0.000 0.369 444 C C 1.425 176.107 174.990 -0.514 0.000 1.279 444 C CA -0.710 57.889 59.018 -0.698 0.000 1.886 444 C CB -1.311 25.890 27.740 -0.900 0.000 2.468 444 C HN 0.826 nan 8.230 nan 0.000 0.553 445 L N 5.136 126.028 121.223 -0.553 0.000 2.513 445 L HA 0.122 4.462 4.340 0.000 0.000 0.222 445 L C 2.149 178.716 176.870 -0.504 0.000 1.096 445 L CA 1.145 55.735 54.840 -0.417 0.000 0.857 445 L CB -1.041 40.815 42.059 -0.338 0.000 1.026 445 L HN 0.926 nan 8.230 nan 0.000 0.469 446 S N -3.324 111.962 115.700 -0.690 0.000 2.604 446 S HA -0.012 4.458 4.470 0.000 0.000 0.235 446 S C 1.967 176.181 174.600 -0.643 0.000 1.043 446 S CA 0.002 57.694 58.200 -0.846 0.000 0.997 446 S CB -0.359 61.885 63.200 -1.594 0.000 0.956 446 S HN 0.237 nan 8.310 nan 0.000 0.535 447 C N 2.194 121.084 119.300 -0.682 0.000 2.363 447 C HA -0.067 4.394 4.460 0.000 0.000 0.274 447 C C 2.371 177.067 174.990 -0.491 0.000 1.183 447 C CA 1.585 60.120 59.018 -0.806 0.000 1.771 447 C CB -1.109 26.022 27.740 -1.015 0.000 2.059 447 C HN 0.627 nan 8.230 nan 0.000 0.455 448 E N -0.109 119.904 120.200 -0.311 0.000 2.463 448 E HA 0.199 4.550 4.350 0.000 0.000 0.193 448 E C 1.785 178.333 176.600 -0.087 0.000 1.041 448 E CA -0.136 56.177 56.400 -0.144 0.000 0.879 448 E CB -0.191 29.451 29.700 -0.096 0.000 0.997 448 E HN 0.550 nan 8.360 nan 0.000 0.478 449 L N 0.273 121.440 121.223 -0.094 0.000 2.012 449 L HA -0.105 4.235 4.340 0.000 0.000 0.210 449 L C 0.949 177.828 176.870 0.014 0.000 1.073 449 L CA 0.974 55.800 54.840 -0.022 0.000 0.748 449 L CB 0.019 42.087 42.059 0.016 0.000 0.891 449 L HN 0.163 nan 8.230 nan 0.000 0.431 450 N N -1.608 117.110 118.700 0.030 0.000 3.029 450 N HA 0.061 4.801 4.740 0.000 0.000 0.198 450 N C -2.093 173.431 175.510 0.024 0.000 1.444 450 N CA -0.668 52.395 53.050 0.021 0.000 0.784 450 N CB 0.731 39.228 38.487 0.017 0.000 1.539 450 N HN -0.163 nan 8.380 nan 0.000 0.582 451 P HA -0.200 nan 4.420 nan 0.000 0.217 451 P C 0.950 178.285 177.300 0.058 0.000 1.148 451 P CA 1.197 64.329 63.100 0.053 0.000 0.834 451 P CB 0.539 32.289 31.700 0.084 0.000 0.783 452 E N 0.097 120.318 120.200 0.034 0.000 2.216 452 E HA -0.144 4.206 4.350 0.000 0.000 0.192 452 E C 2.182 178.783 176.600 0.001 0.000 0.988 452 E CA 0.526 56.940 56.400 0.022 0.000 0.834 452 E CB 0.018 29.726 29.700 0.013 0.000 0.772 452 E HN 0.184 nan 8.360 nan 0.000 0.479 453 R N -0.839 119.650 120.500 -0.018 0.000 2.250 453 R HA 0.148 4.488 4.340 0.000 0.000 0.194 453 R C -0.207 176.043 176.300 -0.084 0.000 0.927 453 R CA 0.324 56.392 56.100 -0.053 0.000 1.052 453 R CB 0.555 30.816 30.300 -0.066 0.000 1.055 453 R HN 0.041 nan 8.270 nan 0.000 0.537 454 c N 1.274 119.827 118.600 -0.077 0.000 2.316 454 c HA 0.446 5.016 4.570 0.000 0.000 0.324 454 c C -0.104 173.931 174.090 -0.091 0.000 1.226 454 c CA -0.629 55.589 56.329 -0.186 0.000 1.450 454 c CB 1.335 43.676 42.510 -0.282 0.000 2.123 454 c HN 0.514 nan 8.230 nan 0.000 0.454 455 Q N 0.507 120.254 119.800 -0.089 0.000 2.064 455 Q HA 0.209 4.549 4.340 0.000 0.000 0.213 455 Q C -1.060 174.976 176.000 0.059 0.000 0.779 455 Q CA 0.028 55.853 55.803 0.036 0.000 1.032 455 Q CB 1.214 30.005 28.738 0.088 0.000 1.203 455 Q HN 0.793 nan 8.270 nan 0.000 0.457 456 Y N 0.384 120.561 120.300 -0.206 0.000 2.359 456 Y HA 0.353 4.903 4.550 0.000 0.000 0.336 456 Y C -1.697 174.053 175.900 -0.249 0.000 1.098 456 Y CA -1.042 56.974 58.100 -0.140 0.000 1.272 456 Y CB 0.659 39.057 38.460 -0.105 0.000 1.112 456 Y HN -0.047 nan 8.280 nan 0.000 0.481 457 Y N 2.072 122.325 120.300 -0.077 0.000 2.457 457 Y HA 0.690 5.240 4.550 0.000 0.000 0.333 457 Y C 0.334 176.205 175.900 -0.049 0.000 1.119 457 Y CA -0.463 57.599 58.100 -0.063 0.000 1.143 457 Y CB 2.171 40.554 38.460 -0.130 0.000 1.230 457 Y HN 0.483 nan 8.280 nan 0.000 0.469 458 S N 0.768 116.579 115.700 0.184 0.000 2.595 458 S HA 0.858 5.328 4.470 0.000 0.000 0.281 458 S C -1.622 173.055 174.600 0.128 0.000 1.117 458 S CA -0.765 57.520 58.200 0.142 0.000 0.873 458 S CB 1.783 65.077 63.200 0.156 0.000 1.108 458 S HN 0.638 nan 8.310 nan 0.000 0.477 459 V N 0.240 120.224 119.914 0.117 0.000 3.130 459 V HA 0.905 5.025 4.120 0.000 0.000 0.310 459 V C -1.275 174.900 176.094 0.135 0.000 1.158 459 V CA -0.274 62.065 62.300 0.066 0.000 1.029 459 V CB 2.331 34.094 31.823 -0.099 0.000 1.057 459 V HN 1.240 nan 8.190 nan 0.000 0.436 460 S N 3.637 119.413 115.700 0.127 0.000 2.721 460 S HA 0.603 5.073 4.470 0.000 0.000 0.264 460 S C -1.172 173.645 174.600 0.362 0.000 1.161 460 S CA -0.413 57.975 58.200 0.312 0.000 1.113 460 S CB 0.190 63.611 63.200 0.368 0.000 1.079 460 S HN 0.501 nan 8.310 nan 0.000 0.479 461 F N 3.006 123.063 119.950 0.179 0.000 2.382 461 F HA 0.438 4.965 4.527 0.000 0.000 0.331 461 F C 1.519 176.981 175.800 -0.563 0.000 1.121 461 F CA -0.100 57.847 58.000 -0.088 0.000 1.183 461 F CB 1.134 40.029 39.000 -0.175 0.000 1.207 461 F HN 0.604 nan 8.300 nan 0.000 0.555 462 S N 1.616 116.786 115.700 -0.882 0.000 2.641 462 S HA 0.200 4.671 4.470 0.000 0.000 0.261 462 S C 1.300 175.676 174.600 -0.373 0.000 1.257 462 S CA -0.815 56.572 58.200 -1.354 0.000 0.983 462 S CB 0.804 63.188 63.200 -1.359 0.000 0.990 462 S HN 0.566 nan 8.310 nan 0.000 0.572 463 K N 0.949 121.254 120.400 -0.157 0.000 2.071 463 K HA -0.168 4.152 4.320 0.000 0.000 0.217 463 K C 1.185 177.783 176.600 -0.002 0.000 1.054 463 K CA 1.977 58.266 56.287 0.003 0.000 0.937 463 K CB -0.491 32.050 32.500 0.067 0.000 0.719 463 K HN 0.732 nan 8.250 nan 0.000 0.454 464 E N -1.164 119.025 120.200 -0.019 0.000 2.499 464 E HA 0.207 4.558 4.350 0.000 0.000 0.199 464 E C 0.240 176.808 176.600 -0.053 0.000 1.016 464 E CA 0.376 56.769 56.400 -0.012 0.000 0.933 464 E CB 0.709 30.419 29.700 0.016 0.000 1.050 464 E HN 0.280 nan 8.360 nan 0.000 0.462 465 A N 1.615 124.388 122.820 -0.078 0.000 2.905 465 A HA -0.311 4.009 4.320 0.000 0.000 0.260 465 A C 1.450 179.030 177.584 -0.006 0.000 1.398 465 A CA 1.621 53.637 52.037 -0.035 0.000 0.840 465 A CB -2.246 16.562 19.000 -0.320 0.000 1.059 465 A HN 0.270 nan 8.150 nan 0.000 0.647 466 K N -1.680 118.657 120.400 -0.104 0.000 2.228 466 K HA 0.177 4.497 4.320 0.000 0.000 0.202 466 K C 0.251 176.537 176.600 -0.523 0.000 1.051 466 K CA 1.489 57.606 56.287 -0.283 0.000 0.960 466 K CB -0.027 32.292 32.500 -0.302 0.000 0.743 466 K HN 0.681 nan 8.250 nan 0.000 0.458 467 Y N -1.345 118.923 120.300 -0.054 0.000 2.638 467 Y HA 0.362 4.912 4.550 0.000 0.000 0.339 467 Y C -1.160 174.709 175.900 -0.052 0.000 1.084 467 Y CA -1.275 56.786 58.100 -0.065 0.000 1.068 467 Y CB 1.772 40.206 38.460 -0.045 0.000 1.294 467 Y HN -0.003 nan 8.280 nan 0.000 0.480 468 Y N -1.174 119.179 120.300 0.087 0.000 2.565 468 Y HA 0.465 5.016 4.550 0.000 0.000 0.330 468 Y C -1.497 174.461 175.900 0.097 0.000 1.150 468 Y CA -1.354 56.659 58.100 -0.146 0.000 1.055 468 Y CB 1.388 39.227 38.460 -1.035 0.000 1.337 468 Y HN 0.597 nan 8.280 nan 0.000 0.457 469 Q N 3.815 123.790 119.800 0.291 0.000 2.271 469 Q HA 0.592 4.932 4.340 0.000 0.000 0.258 469 Q C -1.828 174.290 176.000 0.195 0.000 0.936 469 Q CA -0.786 55.134 55.803 0.194 0.000 0.909 469 Q CB 1.566 30.373 28.738 0.116 0.000 1.253 469 Q HN 0.967 nan 8.270 nan 0.000 0.440 470 L N 4.225 125.576 121.223 0.214 0.000 2.309 470 L HA 0.524 4.865 4.340 0.000 0.000 0.282 470 L C -0.326 176.614 176.870 0.118 0.000 1.036 470 L CA -0.583 54.369 54.840 0.186 0.000 0.806 470 L CB 1.347 43.518 42.059 0.186 0.000 1.220 470 L HN 0.626 nan 8.230 nan 0.000 0.429 471 R N 2.597 123.137 120.500 0.067 0.000 2.320 471 R HA 0.293 4.633 4.340 0.000 0.000 0.319 471 R C -0.946 175.195 176.300 -0.266 0.000 0.969 471 R CA -0.499 55.448 56.100 -0.255 0.000 0.857 471 R CB 1.440 31.660 30.300 -0.133 0.000 1.160 471 R HN 0.554 nan 8.270 nan 0.000 0.491 472 c N 2.353 120.671 118.600 -0.469 0.000 2.394 472 c HA 0.305 4.875 4.570 0.000 0.000 0.362 472 c C 1.112 174.962 174.090 -0.401 0.000 1.268 472 c CA -0.192 55.767 56.329 -0.617 0.000 1.828 472 c CB 0.217 42.365 42.510 -0.602 0.000 2.442 472 c HN 0.910 nan 8.230 nan 0.000 0.549 473 S N 3.167 118.721 115.700 -0.243 0.000 2.540 473 S HA 0.503 4.973 4.470 0.000 0.000 0.218 473 S C 0.624 175.177 174.600 -0.077 0.000 0.977 473 S CA 0.463 58.589 58.200 -0.123 0.000 0.918 473 S CB 0.284 63.438 63.200 -0.076 0.000 0.806 473 S HN 1.333 nan 8.310 nan 0.000 0.496 474 G N 1.544 110.284 108.800 -0.101 0.000 2.315 474 G HA2 0.245 4.206 3.960 0.000 0.000 0.294 474 G HA3 0.245 4.206 3.960 0.000 0.000 0.294 474 G C -2.938 171.934 174.900 -0.047 0.000 1.300 474 G CA -0.620 44.462 45.100 -0.030 0.000 0.843 474 G HN -0.193 nan 8.290 nan 0.000 0.527 475 P HA 0.118 nan 4.420 nan 0.000 0.229 475 P C 1.228 178.552 177.300 0.040 0.000 1.160 475 P CA 1.357 64.485 63.100 0.047 0.000 0.777 475 P CB 0.291 32.016 31.700 0.041 0.000 0.814 476 G N 0.307 109.063 108.800 -0.072 0.000 2.543 476 G HA2 0.412 4.373 3.960 0.000 0.000 0.290 476 G HA3 0.412 4.373 3.960 0.000 0.000 0.290 476 G C -0.297 174.386 174.900 -0.362 0.000 1.310 476 G CA -0.781 44.204 45.100 -0.192 0.000 1.025 476 G HN 0.034 nan 8.290 nan 0.000 0.502 477 L N 1.234 122.154 121.223 -0.504 0.000 2.525 477 L HA 0.101 4.442 4.340 0.000 0.000 0.278 477 L C -1.765 174.951 176.870 -0.257 0.000 1.218 477 L CA -1.114 53.400 54.840 -0.544 0.000 0.878 477 L CB 0.423 42.234 42.059 -0.413 0.000 1.127 477 L HN 0.260 nan 8.230 nan 0.000 0.492 478 P HA -0.035 nan 4.420 nan 0.000 0.264 478 P C -0.915 176.345 177.300 -0.067 0.000 1.173 478 P CA 0.163 63.208 63.100 -0.092 0.000 0.761 478 P CB 0.458 32.209 31.700 0.084 0.000 0.794 479 L N 4.653 125.754 121.223 -0.203 0.000 2.476 479 L HA 0.472 4.813 4.340 0.000 0.000 0.269 479 L C -1.828 174.911 176.870 -0.217 0.000 0.965 479 L CA -0.598 54.183 54.840 -0.099 0.000 0.845 479 L CB 1.037 43.036 42.059 -0.100 0.000 1.259 479 L HN 0.203 nan 8.230 nan 0.000 0.403 480 Y N 2.619 122.875 120.300 -0.074 0.000 2.335 480 Y HA 0.771 5.321 4.550 0.000 0.000 0.338 480 Y C 0.481 176.275 175.900 -0.177 0.000 0.977 480 Y CA -0.504 57.536 58.100 -0.100 0.000 1.114 480 Y CB 2.156 40.532 38.460 -0.140 0.000 1.182 480 Y HN 0.666 nan 8.280 nan 0.000 0.463 481 T N 0.839 115.395 114.554 0.002 0.000 2.903 481 T HA 0.678 5.028 4.350 0.000 0.000 0.299 481 T C -1.535 173.062 174.700 -0.171 0.000 1.093 481 T CA -0.873 61.148 62.100 -0.131 0.000 1.002 481 T CB 1.829 70.632 68.868 -0.108 0.000 1.127 481 T HN 0.408 nan 8.240 nan 0.000 0.488 482 L N 2.411 123.426 121.223 -0.346 0.000 2.317 482 L HA 0.613 4.953 4.340 0.000 0.000 0.281 482 L C -0.578 175.979 176.870 -0.520 0.000 1.024 482 L CA -0.214 54.466 54.840 -0.266 0.000 0.810 482 L CB 0.877 42.833 42.059 -0.171 0.000 1.240 482 L HN 0.821 nan 8.230 nan 0.000 0.427 483 H N 1.537 120.388 119.070 -0.365 0.000 2.894 483 H HA 0.575 5.131 4.556 0.000 0.000 0.368 483 H C -0.962 174.140 175.328 -0.377 0.000 1.181 483 H CA -0.830 54.919 56.048 -0.498 0.000 1.146 483 H CB 2.131 31.312 29.762 -0.969 0.000 1.839 483 H HN 0.563 nan 8.280 nan 0.000 0.557 484 S N 0.160 115.818 115.700 -0.070 0.000 2.473 484 S HA 0.198 4.668 4.470 0.000 0.000 0.307 484 S C 0.610 175.200 174.600 -0.017 0.000 1.094 484 S CA -0.693 57.506 58.200 -0.002 0.000 1.070 484 S CB 1.786 65.030 63.200 0.073 0.000 1.019 484 S HN 0.562 nan 8.310 nan 0.000 0.480 485 S N 2.330 118.047 115.700 0.027 0.000 2.442 485 S HA -0.113 4.357 4.470 0.000 0.000 0.236 485 S C 1.986 176.632 174.600 0.077 0.000 1.007 485 S CA 1.331 59.643 58.200 0.186 0.000 0.965 485 S CB -0.711 62.599 63.200 0.184 0.000 0.773 485 S HN 0.764 nan 8.310 nan 0.000 0.504 486 V N 2.707 122.616 119.914 -0.008 0.000 2.324 486 V HA -0.211 3.910 4.120 0.000 0.000 0.250 486 V C 1.473 177.571 176.094 0.006 0.000 1.060 486 V CA 1.880 64.177 62.300 -0.004 0.000 1.042 486 V CB -0.981 30.828 31.823 -0.024 0.000 0.650 486 V HN 0.709 nan 8.190 nan 0.000 0.450 487 N N -2.620 116.088 118.700 0.013 0.000 2.116 487 N HA 0.076 4.817 4.740 0.000 0.000 0.230 487 N C -0.099 175.426 175.510 0.025 0.000 1.326 487 N CA 0.255 53.310 53.050 0.009 0.000 0.867 487 N CB -0.189 38.303 38.487 0.009 0.000 1.174 487 N HN 0.388 nan 8.380 nan 0.000 0.506 488 D N 0.338 120.781 120.400 0.071 0.000 2.772 488 D HA -0.205 4.435 4.640 0.000 0.000 0.233 488 D C -0.430 175.923 176.300 0.089 0.000 1.143 488 D CA 1.084 55.158 54.000 0.123 0.000 0.700 488 D CB -0.915 39.939 40.800 0.090 0.000 1.076 488 D HN 0.741 nan 8.370 nan 0.000 0.430 489 K N 0.020 120.455 120.400 0.058 0.000 2.234 489 K HA 0.476 4.796 4.320 0.000 0.000 0.282 489 K C 0.595 177.211 176.600 0.026 0.000 1.039 489 K CA -0.279 56.034 56.287 0.043 0.000 0.928 489 K CB 1.288 33.798 32.500 0.016 0.000 1.039 489 K HN -0.025 nan 8.250 nan 0.000 0.470 490 G N 4.049 112.851 108.800 0.003 0.000 2.356 490 G HA2 0.162 4.122 3.960 0.000 0.000 0.273 490 G HA3 0.162 4.122 3.960 0.000 0.000 0.273 490 G C 0.356 175.130 174.900 -0.209 0.000 1.213 490 G CA -0.667 44.297 45.100 -0.228 0.000 0.955 490 G HN 0.729 nan 8.290 nan 0.000 0.454 491 L N 2.067 123.126 121.223 -0.273 0.000 2.127 491 L HA 0.278 4.618 4.340 0.000 0.000 0.203 491 L C 1.599 178.377 176.870 -0.153 0.000 1.080 491 L CA 0.836 55.582 54.840 -0.156 0.000 0.768 491 L CB -0.238 41.748 42.059 -0.123 0.000 0.924 491 L HN 0.777 nan 8.230 nan 0.000 0.444 492 R N -2.214 118.154 120.500 -0.221 0.000 3.062 492 R HA 0.289 4.629 4.340 0.000 0.000 0.279 492 R C -1.656 174.512 176.300 -0.220 0.000 1.003 492 R CA -0.904 55.091 56.100 -0.176 0.000 0.872 492 R CB 0.974 31.203 30.300 -0.120 0.000 1.280 492 R HN -0.285 nan 8.270 nan 0.000 0.516 493 V N 3.262 123.072 119.914 -0.173 0.000 2.455 493 V HA 0.129 4.249 4.120 0.000 0.000 0.273 493 V C 1.480 177.428 176.094 -0.243 0.000 1.045 493 V CA -0.211 61.985 62.300 -0.173 0.000 0.976 493 V CB 0.990 32.748 31.823 -0.108 0.000 0.993 493 V HN 0.628 nan 8.190 nan 0.000 0.475 494 L N 2.766 123.770 121.223 -0.365 0.000 2.162 494 L HA 0.247 4.587 4.340 0.000 0.000 0.205 494 L C 0.792 177.345 176.870 -0.527 0.000 1.086 494 L CA 0.757 55.168 54.840 -0.715 0.000 0.778 494 L CB 0.153 41.397 42.059 -1.358 0.000 0.928 494 L HN 0.696 nan 8.230 nan 0.000 0.446 495 E N -0.222 119.831 120.200 -0.246 0.000 2.347 495 E HA 0.114 4.464 4.350 0.000 0.000 0.285 495 E C -1.256 175.371 176.600 0.045 0.000 0.925 495 E CA -0.417 55.949 56.400 -0.056 0.000 0.779 495 E CB 1.347 31.031 29.700 -0.026 0.000 1.233 495 E HN 0.161 nan 8.360 nan 0.000 0.414 496 D N 2.697 123.112 120.400 0.026 0.000 2.500 496 D HA 0.178 4.818 4.640 0.000 0.000 0.217 496 D C -0.223 176.086 176.300 0.015 0.000 1.159 496 D CA -0.232 53.780 54.000 0.019 0.000 0.828 496 D CB 0.013 40.805 40.800 -0.013 0.000 1.039 496 D HN 0.444 nan 8.370 nan 0.000 0.512 497 N N 0.395 119.117 118.700 0.037 0.000 2.714 497 N HA -0.234 4.506 4.740 0.000 0.000 0.250 497 N C 1.014 176.527 175.510 0.006 0.000 1.117 497 N CA 0.951 54.018 53.050 0.028 0.000 0.719 497 N CB -1.310 37.187 38.487 0.016 0.000 1.081 497 N HN 0.485 nan 8.380 nan 0.000 0.557 498 S N -1.074 114.629 115.700 0.006 0.000 2.402 498 S HA -0.134 4.336 4.470 0.000 0.000 0.233 498 S C 2.084 176.692 174.600 0.015 0.000 1.030 498 S CA 1.217 59.417 58.200 0.001 0.000 1.003 498 S CB -0.205 62.997 63.200 0.003 0.000 0.813 498 S HN 0.538 nan 8.310 nan 0.000 0.477 499 A N 2.553 125.391 122.820 0.031 0.000 1.841 499 A HA 0.018 4.338 4.320 0.000 0.000 0.216 499 A C 2.261 179.881 177.584 0.060 0.000 1.199 499 A CA 1.704 53.770 52.037 0.047 0.000 0.621 499 A CB -1.187 17.847 19.000 0.056 0.000 0.835 499 A HN 0.553 nan 8.150 nan 0.000 0.445 500 L N 0.531 121.794 121.223 0.067 0.000 2.043 500 L HA -0.235 4.106 4.340 0.000 0.000 0.212 500 L C 1.954 178.847 176.870 0.038 0.000 1.075 500 L CA 3.022 57.915 54.840 0.088 0.000 0.752 500 L CB -0.917 41.193 42.059 0.084 0.000 0.891 500 L HN 0.576 nan 8.230 nan 0.000 0.432 501 D N -0.834 119.562 120.400 -0.005 0.000 2.126 501 D HA -0.267 4.373 4.640 0.000 0.000 0.190 501 D C 2.171 178.467 176.300 -0.007 0.000 1.001 501 D CA 1.483 55.463 54.000 -0.034 0.000 0.841 501 D CB -0.056 40.717 40.800 -0.044 0.000 0.949 501 D HN 0.116 nan 8.370 nan 0.000 0.446 502 K N 0.034 120.443 120.400 0.016 0.000 2.020 502 K HA -0.135 4.185 4.320 0.000 0.000 0.212 502 K C 2.236 178.864 176.600 0.046 0.000 1.050 502 K CA 1.289 57.593 56.287 0.028 0.000 0.929 502 K CB -0.559 31.963 32.500 0.037 0.000 0.714 502 K HN 0.369 nan 8.250 nan 0.000 0.443 503 M N 0.360 120.007 119.600 0.078 0.000 2.267 503 M HA -0.163 4.317 4.480 0.000 0.000 0.263 503 M C 1.956 178.292 176.300 0.060 0.000 1.063 503 M CA 1.228 56.606 55.300 0.130 0.000 1.090 503 M CB -0.169 32.583 32.600 0.253 0.000 1.392 503 M HN 0.046 nan 8.290 nan 0.000 0.422 504 L N -0.188 121.024 121.223 -0.018 0.000 2.477 504 L HA -0.087 4.253 4.340 0.000 0.000 0.220 504 L C 2.417 179.260 176.870 -0.045 0.000 1.106 504 L CA 0.311 55.092 54.840 -0.098 0.000 0.851 504 L CB -0.407 41.583 42.059 -0.114 0.000 0.994 504 L HN 0.427 nan 8.230 nan 0.000 0.462 505 Q N -0.583 119.210 119.800 -0.011 0.000 2.488 505 Q HA -0.149 4.191 4.340 0.000 0.000 0.211 505 Q C 1.516 177.528 176.000 0.021 0.000 0.967 505 Q CA 1.005 56.809 55.803 0.002 0.000 0.926 505 Q CB -0.250 28.492 28.738 0.007 0.000 0.992 505 Q HN 0.367 nan 8.270 nan 0.000 0.506 506 N N 0.918 119.636 118.700 0.030 0.000 2.254 506 N HA 0.013 4.754 4.740 0.000 0.000 0.190 506 N C -0.441 175.103 175.510 0.057 0.000 1.107 506 N CA 0.191 53.271 53.050 0.050 0.000 0.869 506 N CB 1.165 39.693 38.487 0.067 0.000 0.983 506 N HN 0.208 nan 8.380 nan 0.000 0.487 507 V N 1.078 121.012 119.914 0.033 0.000 2.581 507 V HA 0.364 4.484 4.120 0.000 0.000 0.303 507 V C -0.588 175.523 176.094 0.029 0.000 1.041 507 V CA -0.691 61.635 62.300 0.043 0.000 0.907 507 V CB 1.811 33.647 31.823 0.022 0.000 0.994 507 V HN 0.021 nan 8.190 nan 0.000 0.442 508 Q N 4.918 124.751 119.800 0.055 0.000 2.409 508 Q HA 0.261 4.601 4.340 0.000 0.000 0.240 508 Q C -0.486 175.510 176.000 -0.006 0.000 1.226 508 Q CA -0.035 55.784 55.803 0.025 0.000 0.895 508 Q CB 0.637 29.415 28.738 0.067 0.000 1.491 508 Q HN 0.717 nan 8.270 nan 0.000 0.509 509 M N 4.664 124.237 119.600 -0.045 0.000 2.274 509 M HA 0.323 4.803 4.480 0.000 0.000 0.344 509 M C -2.157 174.088 176.300 -0.093 0.000 1.161 509 M CA -2.254 53.009 55.300 -0.062 0.000 1.126 509 M CB 0.806 33.372 32.600 -0.056 0.000 1.522 509 M HN 0.302 nan 8.290 nan 0.000 0.461 510 P HA 0.315 nan 4.420 nan 0.000 0.276 510 P C -1.398 175.831 177.300 -0.118 0.000 1.252 510 P CA -0.479 62.546 63.100 -0.125 0.000 0.802 510 P CB 0.808 32.424 31.700 -0.139 0.000 1.035 511 S N -0.335 115.281 115.700 -0.139 0.000 2.739 511 S HA 0.593 5.063 4.470 0.000 0.000 0.306 511 S C -0.519 173.999 174.600 -0.136 0.000 1.115 511 S CA -0.796 57.334 58.200 -0.118 0.000 0.985 511 S CB 1.656 64.778 63.200 -0.129 0.000 1.133 511 S HN 0.486 nan 8.310 nan 0.000 0.541 512 K N 0.677 121.017 120.400 -0.100 0.000 2.502 512 K HA 0.338 4.658 4.320 0.000 0.000 0.254 512 K C -1.164 175.384 176.600 -0.086 0.000 0.947 512 K CA -0.443 55.789 56.287 -0.093 0.000 0.834 512 K CB 1.091 33.560 32.500 -0.052 0.000 1.112 512 K HN 0.596 nan 8.250 nan 0.000 0.427 513 K N 5.242 125.573 120.400 -0.115 0.000 2.227 513 K HA 0.279 4.599 4.320 0.000 0.000 0.280 513 K C -1.162 175.393 176.600 -0.076 0.000 1.041 513 K CA -0.498 55.726 56.287 -0.105 0.000 0.905 513 K CB 0.828 33.240 32.500 -0.147 0.000 1.068 513 K HN 0.597 nan 8.250 nan 0.000 0.470 514 L N 4.472 125.668 121.223 -0.045 0.000 2.342 514 L HA 0.333 4.673 4.340 0.000 0.000 0.276 514 L C -1.117 175.784 176.870 0.051 0.000 0.997 514 L CA -0.118 54.730 54.840 0.012 0.000 0.838 514 L CB 1.247 43.364 42.059 0.098 0.000 1.224 514 L HN 0.810 nan 8.230 nan 0.000 0.416 515 D N 2.906 123.183 120.400 -0.206 0.000 3.236 515 D HA 0.571 5.211 4.640 0.000 0.000 0.325 515 D C -1.525 174.483 176.300 -0.486 0.000 1.352 515 D CA 0.021 53.841 54.000 -0.300 0.000 0.979 515 D CB 1.486 42.005 40.800 -0.469 0.000 1.410 515 D HN 0.233 nan 8.370 nan 0.000 0.588 516 F N -0.355 119.277 119.950 -0.530 0.000 2.645 516 F HA 0.699 5.226 4.527 0.000 0.000 0.310 516 F C -1.048 174.855 175.800 0.173 0.000 1.102 516 F CA -1.111 56.727 58.000 -0.269 0.000 0.952 516 F CB 0.754 39.174 39.000 -0.968 0.000 1.326 516 F HN 0.344 nan 8.300 nan 0.000 0.456 517 I N -0.009 120.859 120.570 0.497 0.000 3.170 517 I HA 0.692 4.862 4.170 0.000 0.000 0.312 517 I C -1.281 175.070 176.117 0.390 0.000 1.085 517 I CA -1.268 60.223 61.300 0.318 0.000 0.999 517 I CB 2.253 40.357 38.000 0.174 0.000 1.233 517 I HN 0.482 nan 8.210 nan 0.000 0.467 518 I N 3.394 124.116 120.570 0.254 0.000 2.404 518 I HA 0.477 4.647 4.170 0.000 0.000 0.293 518 I C -0.720 175.528 176.117 0.218 0.000 0.992 518 I CA -0.542 60.906 61.300 0.246 0.000 1.149 518 I CB 1.684 39.785 38.000 0.168 0.000 1.315 518 I HN 0.490 nan 8.210 nan 0.000 0.446 519 L N 6.378 127.793 121.223 0.321 0.000 2.415 519 L HA 0.395 4.735 4.340 0.000 0.000 0.268 519 L C 0.267 177.278 176.870 0.234 0.000 0.984 519 L CA -0.440 54.558 54.840 0.263 0.000 0.853 519 L CB 1.047 43.281 42.059 0.291 0.000 1.215 519 L HN 0.616 nan 8.230 nan 0.000 0.419 520 N N 3.153 121.919 118.700 0.110 0.000 2.727 520 N HA -0.219 4.521 4.740 0.000 0.000 0.251 520 N C 0.799 176.351 175.510 0.071 0.000 1.040 520 N CA 1.349 54.440 53.050 0.069 0.000 0.712 520 N CB -0.195 38.320 38.487 0.047 0.000 0.912 520 N HN 0.927 nan 8.380 nan 0.000 0.545 521 E N -1.841 118.396 120.200 0.061 0.000 4.086 521 E HA -0.199 4.151 4.350 0.000 0.000 0.363 521 E C -0.338 176.271 176.600 0.014 0.000 0.616 521 E CA 2.240 58.661 56.400 0.034 0.000 1.293 521 E CB -1.282 28.429 29.700 0.018 0.000 1.747 521 E HN 0.636 nan 8.360 nan 0.000 0.405 522 T N 0.222 114.795 114.554 0.032 0.000 2.797 522 T HA 0.549 4.899 4.350 0.000 0.000 0.279 522 T C -0.371 174.225 174.700 -0.173 0.000 0.991 522 T CA -0.232 61.803 62.100 -0.107 0.000 0.979 522 T CB 0.838 69.601 68.868 -0.175 0.000 0.943 522 T HN 0.323 nan 8.240 nan 0.000 0.444 523 K N 3.586 123.816 120.400 -0.284 0.000 2.205 523 K HA 0.499 4.819 4.320 0.000 0.000 0.279 523 K C -1.288 175.067 176.600 -0.409 0.000 1.027 523 K CA -0.567 55.585 56.287 -0.225 0.000 0.932 523 K CB 0.597 32.827 32.500 -0.451 0.000 1.032 523 K HN 0.414 nan 8.250 nan 0.000 0.466 524 F N 1.658 121.700 119.950 0.153 0.000 2.520 524 F HA 0.355 4.882 4.527 0.000 0.000 0.322 524 F C -0.547 175.416 175.800 0.272 0.000 1.103 524 F CA -0.782 57.333 58.000 0.190 0.000 0.926 524 F CB 1.097 40.217 39.000 0.200 0.000 1.154 524 F HN 0.530 nan 8.300 nan 0.000 0.453 525 W N 3.184 124.688 121.300 0.340 0.000 2.237 525 W HA 0.482 5.142 4.660 0.000 0.000 0.335 525 W C -0.541 176.243 176.519 0.443 0.000 1.230 525 W CA -0.409 57.154 57.345 0.362 0.000 1.253 525 W CB 0.469 30.051 29.460 0.202 0.000 1.129 525 W HN 0.459 nan 8.180 nan 0.000 0.590 526 Y N -0.535 120.151 120.300 0.642 0.000 2.655 526 Y HA 0.647 5.197 4.550 0.000 0.000 0.336 526 Y C -1.047 175.103 175.900 0.417 0.000 1.154 526 Y CA -1.821 56.633 58.100 0.589 0.000 1.055 526 Y CB 1.165 40.110 38.460 0.809 0.000 1.295 526 Y HN 0.555 nan 8.280 nan 0.000 0.465 527 Q N 2.079 122.168 119.800 0.482 0.000 2.389 527 Q HA 0.733 5.074 4.340 0.000 0.000 0.277 527 Q C -1.859 174.293 176.000 0.253 0.000 1.082 527 Q CA -1.172 54.772 55.803 0.234 0.000 0.810 527 Q CB 3.324 32.161 28.738 0.166 0.000 1.374 527 Q HN 0.879 nan 8.270 nan 0.000 0.422 528 M N 2.767 122.427 119.600 0.101 0.000 2.263 528 M HA 0.464 4.944 4.480 0.000 0.000 0.295 528 M C -1.365 174.877 176.300 -0.096 0.000 1.028 528 M CA -0.576 54.720 55.300 -0.006 0.000 0.921 528 M CB 2.324 34.889 32.600 -0.058 0.000 1.601 528 M HN 0.650 nan 8.290 nan 0.000 0.440 529 I N 5.085 125.595 120.570 -0.100 0.000 2.291 529 I HA 0.286 4.456 4.170 0.000 0.000 0.292 529 I C -0.683 175.309 176.117 -0.208 0.000 1.064 529 I CA -0.370 60.846 61.300 -0.139 0.000 1.269 529 I CB 0.376 38.311 38.000 -0.108 0.000 1.418 529 I HN 0.505 nan 8.210 nan 0.000 0.485 530 L N 8.541 129.594 121.223 -0.283 0.000 2.312 530 L HA 0.445 4.785 4.340 0.000 0.000 0.281 530 L C -2.248 174.476 176.870 -0.244 0.000 1.070 530 L CA -1.895 52.706 54.840 -0.398 0.000 0.805 530 L CB 0.688 42.352 42.059 -0.658 0.000 1.174 530 L HN 0.242 nan 8.230 nan 0.000 0.434 531 P HA 0.106 nan 4.420 nan 0.000 0.269 531 P C -2.447 174.830 177.300 -0.038 0.000 1.215 531 P CA -0.916 62.144 63.100 -0.067 0.000 0.780 531 P CB -0.031 31.678 31.700 0.015 0.000 0.898 532 P HA -0.090 nan 4.420 nan 0.000 0.266 532 P C -0.270 176.984 177.300 -0.077 0.000 1.193 532 P CA 0.796 63.790 63.100 -0.177 0.000 0.770 532 P CB -0.221 31.381 31.700 -0.162 0.000 0.836 533 H N -0.672 118.436 119.070 0.063 0.000 2.527 533 H HA -0.223 4.333 4.556 0.000 0.000 0.321 533 H C 0.184 175.572 175.328 0.101 0.000 1.092 533 H CA 0.011 56.100 56.048 0.067 0.000 1.118 533 H CB -2.039 27.751 29.762 0.046 0.000 1.536 533 H HN 0.376 nan 8.280 nan 0.000 0.407 534 F N 2.047 121.982 119.950 -0.025 0.000 2.623 534 F HA 0.028 4.555 4.527 0.000 0.000 0.383 534 F C 0.761 176.570 175.800 0.016 0.000 1.077 534 F CA 0.270 58.216 58.000 -0.091 0.000 1.268 534 F CB 0.490 39.319 39.000 -0.285 0.000 1.053 534 F HN 0.233 nan 8.300 nan 0.000 0.571 535 D N 6.427 126.527 120.400 -0.499 0.000 2.453 535 D HA 0.135 4.775 4.640 0.000 0.000 0.238 535 D C 0.555 176.543 176.300 -0.519 0.000 1.088 535 D CA -0.369 53.431 54.000 -0.334 0.000 0.854 535 D CB 1.234 41.956 40.800 -0.130 0.000 1.076 535 D HN 0.659 nan 8.370 nan 0.000 0.533 536 K N 0.940 121.105 120.400 -0.391 0.000 2.360 536 K HA -0.076 4.245 4.320 0.000 0.000 0.201 536 K C 1.586 178.191 176.600 0.007 0.000 1.046 536 K CA 0.766 56.959 56.287 -0.157 0.000 0.940 536 K CB 0.325 32.853 32.500 0.047 0.000 0.748 536 K HN 0.180 nan 8.250 nan 0.000 0.465 537 S N 0.200 115.869 115.700 -0.051 0.000 2.425 537 S HA 0.001 4.471 4.470 0.000 0.000 0.225 537 S C 0.811 175.380 174.600 -0.052 0.000 1.024 537 S CA 0.500 58.684 58.200 -0.026 0.000 0.951 537 S CB 0.201 63.377 63.200 -0.041 0.000 0.796 537 S HN 0.119 nan 8.310 nan 0.000 0.498 538 K N 2.492 122.818 120.400 -0.123 0.000 2.154 538 K HA 0.250 4.570 4.320 0.000 0.000 0.264 538 K C -0.490 176.005 176.600 -0.176 0.000 1.008 538 K CA -0.006 56.148 56.287 -0.222 0.000 0.937 538 K CB 0.587 32.832 32.500 -0.424 0.000 1.002 538 K HN 0.064 nan 8.250 nan 0.000 0.469 539 K N 3.344 123.629 120.400 -0.191 0.000 2.253 539 K HA 0.183 4.503 4.320 0.000 0.000 0.277 539 K C -0.761 175.744 176.600 -0.158 0.000 1.053 539 K CA -0.371 55.873 56.287 -0.073 0.000 0.892 539 K CB 0.638 33.097 32.500 -0.069 0.000 1.102 539 K HN 0.389 nan 8.250 nan 0.000 0.469 540 Y N 3.661 123.968 120.300 0.011 0.000 2.334 540 Y HA 0.222 4.772 4.550 0.000 0.000 0.328 540 Y C -1.757 174.076 175.900 -0.112 0.000 1.130 540 Y CA -2.305 55.783 58.100 -0.019 0.000 1.163 540 Y CB 0.829 39.351 38.460 0.104 0.000 1.207 540 Y HN 0.488 nan 8.280 nan 0.000 0.471 541 P HA 0.156 nan 4.420 nan 0.000 0.274 541 P C -1.139 175.987 177.300 -0.290 0.000 1.231 541 P CA -0.216 62.595 63.100 -0.482 0.000 0.790 541 P CB 1.683 32.726 31.700 -1.095 0.000 0.951 542 L N 2.252 123.331 121.223 -0.239 0.000 2.386 542 L HA 0.564 4.904 4.340 0.000 0.000 0.271 542 L C -1.203 175.826 176.870 0.265 0.000 0.993 542 L CA -1.030 53.829 54.840 0.031 0.000 0.819 542 L CB 1.736 43.824 42.059 0.048 0.000 1.294 542 L HN 0.258 nan 8.230 nan 0.000 0.414 543 L N 5.391 126.800 121.223 0.310 0.000 2.349 543 L HA 0.460 4.800 4.340 0.000 0.000 0.278 543 L C -1.354 175.754 176.870 0.397 0.000 0.996 543 L CA -0.886 54.211 54.840 0.427 0.000 0.825 543 L CB 1.835 44.114 42.059 0.368 0.000 1.243 543 L HN 0.605 nan 8.230 nan 0.000 0.412 544 L N 5.098 126.608 121.223 0.478 0.000 2.261 544 L HA 0.338 4.678 4.340 0.000 0.000 0.289 544 L C -0.339 176.789 176.870 0.430 0.000 1.059 544 L CA 0.084 55.196 54.840 0.454 0.000 0.816 544 L CB 0.849 43.223 42.059 0.526 0.000 1.191 544 L HN 0.469 nan 8.230 nan 0.000 0.431 545 D N 4.508 125.134 120.400 0.377 0.000 2.380 545 D HA 0.244 4.884 4.640 0.000 0.000 0.230 545 D C -0.957 175.444 176.300 0.169 0.000 1.154 545 D CA 0.069 54.218 54.000 0.248 0.000 0.859 545 D CB 1.210 42.213 40.800 0.339 0.000 1.045 545 D HN 0.322 nan 8.370 nan 0.000 0.495 546 V N 5.828 125.783 119.914 0.068 0.000 2.769 546 V HA 0.462 4.582 4.120 0.000 0.000 0.312 546 V C -0.812 175.399 176.094 0.196 0.000 1.061 546 V CA -0.491 61.907 62.300 0.163 0.000 0.931 546 V CB 1.966 33.903 31.823 0.191 0.000 1.010 546 V HN 0.681 nan 8.190 nan 0.000 0.433 547 Y N 5.024 125.400 120.300 0.125 0.000 3.105 547 Y HA 0.452 5.003 4.550 0.000 0.000 0.216 547 Y C 1.610 177.639 175.900 0.214 0.000 0.943 547 Y CA 0.262 58.456 58.100 0.157 0.000 1.535 547 Y CB 0.376 38.909 38.460 0.122 0.000 1.475 547 Y HN 1.006 nan 8.280 nan 0.000 0.435 548 A N 1.713 124.530 122.820 -0.005 0.000 2.798 548 A HA -0.200 4.121 4.320 0.000 0.000 0.282 548 A C 0.558 177.952 177.584 -0.317 0.000 1.464 548 A CA 1.018 52.988 52.037 -0.111 0.000 0.844 548 A CB -2.356 16.734 19.000 0.151 0.000 1.006 548 A HN 0.788 nan 8.150 nan 0.000 0.577 549 G N -1.345 106.965 108.800 -0.816 0.000 2.547 549 G HA2 0.569 4.529 3.960 0.000 0.000 0.291 549 G HA3 0.569 4.529 3.960 0.000 0.000 0.291 549 G C -2.585 171.866 174.900 -0.750 0.000 1.211 549 G CA -1.484 42.861 45.100 -1.259 0.000 0.950 549 G HN 0.232 nan 8.290 nan 0.000 0.504 550 P HA 0.099 nan 4.420 nan 0.000 0.260 550 P C 0.446 177.507 177.300 -0.398 0.000 1.185 550 P CA 0.251 63.018 63.100 -0.556 0.000 0.763 550 P CB 0.595 31.614 31.700 -1.135 0.000 0.776 551 C N 2.858 121.986 119.300 -0.287 0.000 4.507 551 C HA -0.139 4.321 4.460 0.000 0.000 0.285 551 C C 0.896 175.776 174.990 -0.184 0.000 1.335 551 C CA 1.043 59.866 59.018 -0.324 0.000 1.953 551 C CB -2.702 24.720 27.740 -0.530 0.000 1.262 551 C HN 0.768 nan 8.230 nan 0.000 0.776 552 S N 0.107 115.637 115.700 -0.283 0.000 2.652 552 S HA 0.641 5.112 4.470 0.000 0.000 0.270 552 S C -0.662 173.890 174.600 -0.080 0.000 1.243 552 S CA -0.012 57.960 58.200 -0.381 0.000 0.999 552 S CB 1.781 64.120 63.200 -1.435 0.000 0.973 552 S HN 0.802 nan 8.310 nan 0.000 0.544 553 Q N 0.147 120.018 119.800 0.118 0.000 2.334 553 Q HA 0.339 4.679 4.340 0.000 0.000 0.249 553 Q C -0.866 175.271 176.000 0.229 0.000 0.909 553 Q CA -0.529 55.407 55.803 0.223 0.000 0.823 553 Q CB 1.020 29.999 28.738 0.401 0.000 1.353 553 Q HN 0.714 nan 8.270 nan 0.000 0.433 554 K N 0.980 121.496 120.400 0.194 0.000 2.374 554 K HA 0.348 4.668 4.320 0.000 0.000 0.202 554 K C -0.529 176.195 176.600 0.206 0.000 1.040 554 K CA 0.200 56.618 56.287 0.218 0.000 1.085 554 K CB 1.618 34.261 32.500 0.238 0.000 0.873 554 K HN 0.475 nan 8.250 nan 0.000 0.539 555 A N 2.657 125.600 122.820 0.206 0.000 2.328 555 A HA 0.437 4.757 4.320 0.000 0.000 0.318 555 A C -0.872 176.801 177.584 0.148 0.000 1.347 555 A CA -0.563 51.600 52.037 0.210 0.000 0.842 555 A CB 0.179 19.359 19.000 0.301 0.000 1.148 555 A HN 0.223 nan 8.150 nan 0.000 0.499 556 D N -0.106 120.358 120.400 0.108 0.000 2.652 556 D HA 0.421 5.061 4.640 0.000 0.000 0.285 556 D C 0.472 176.806 176.300 0.057 0.000 1.173 556 D CA 0.227 54.284 54.000 0.094 0.000 0.981 556 D CB 0.354 41.220 40.800 0.110 0.000 1.440 556 D HN 0.148 nan 8.370 nan 0.000 0.485 557 T N -2.304 112.314 114.554 0.108 0.000 3.188 557 T HA 0.280 4.630 4.350 0.000 0.000 0.250 557 T C 0.504 175.194 174.700 -0.017 0.000 1.077 557 T CA -0.373 61.775 62.100 0.079 0.000 0.967 557 T CB -0.716 68.242 68.868 0.149 0.000 1.006 557 T HN 0.260 nan 8.240 nan 0.000 0.552 558 V N 2.476 122.278 119.914 -0.188 0.000 2.614 558 V HA 0.359 4.479 4.120 0.000 0.000 0.291 558 V C 0.013 176.059 176.094 -0.080 0.000 1.049 558 V CA -0.986 61.157 62.300 -0.261 0.000 1.038 558 V CB 0.247 31.801 31.823 -0.448 0.000 0.980 558 V HN 0.551 nan 8.190 nan 0.000 0.481 559 F N 6.224 126.086 119.950 -0.146 0.000 2.394 559 F HA 0.665 5.192 4.527 0.001 0.000 0.340 559 F C 0.402 176.152 175.800 -0.084 0.000 1.105 559 F CA -0.288 57.650 58.000 -0.102 0.000 1.124 559 F CB 0.533 39.479 39.000 -0.090 0.000 1.145 559 F HN 0.437 nan 8.300 nan 0.000 0.505 560 R N 5.943 125.904 120.500 -0.898 0.000 2.740 560 R HA 0.569 4.909 4.340 0.000 0.000 0.273 560 R C -1.731 174.137 176.300 -0.721 0.000 0.998 560 R CA -1.105 54.657 56.100 -0.563 0.000 0.900 560 R CB 2.127 32.266 30.300 -0.269 0.000 1.223 560 R HN 0.662 nan 8.270 nan 0.000 0.466 561 L N 3.520 124.551 121.223 -0.320 0.000 2.384 561 L HA 0.371 4.711 4.340 0.000 0.000 0.261 561 L C -0.804 176.082 176.870 0.026 0.000 1.024 561 L CA -0.705 53.994 54.840 -0.235 0.000 0.899 561 L CB 0.472 42.537 42.059 0.010 0.000 1.243 561 L HN 0.726 nan 8.230 nan 0.000 0.449 562 N N -0.360 118.267 118.700 -0.122 0.000 3.283 562 N HA 0.193 4.934 4.740 0.000 0.000 0.338 562 N C 0.319 175.484 175.510 -0.574 0.000 1.517 562 N CA -0.887 52.002 53.050 -0.268 0.000 0.733 562 N CB 0.224 38.664 38.487 -0.078 0.000 1.797 562 N HN 0.264 nan 8.380 nan 0.000 0.637 563 W N 0.394 121.089 121.300 -1.009 0.000 2.363 563 W HA 0.165 4.825 4.660 0.000 0.000 0.296 563 W C 1.936 178.406 176.519 -0.083 0.000 1.212 563 W CA 2.532 59.516 57.345 -0.603 0.000 1.260 563 W CB -0.885 28.370 29.460 -0.341 0.000 1.131 563 W HN 0.680 nan 8.180 nan 0.000 0.530 564 A N -0.615 122.179 122.820 -0.044 0.000 1.969 564 A HA -0.157 4.164 4.320 0.000 0.000 0.218 564 A C 1.931 179.412 177.584 -0.172 0.000 1.169 564 A CA 2.203 54.152 52.037 -0.147 0.000 0.635 564 A CB -1.183 17.819 19.000 0.003 0.000 0.810 564 A HN 0.276 nan 8.150 nan 0.000 0.445 565 T N -1.165 113.303 114.554 -0.143 0.000 2.708 565 T HA -0.191 4.159 4.350 0.000 0.000 0.266 565 T C 1.817 176.530 174.700 0.022 0.000 1.037 565 T CA 1.753 63.748 62.100 -0.175 0.000 1.146 565 T CB -0.471 68.134 68.868 -0.439 0.000 0.865 565 T HN 0.697 nan 8.240 nan 0.000 0.435 566 Y N 2.110 122.475 120.300 0.109 0.000 2.181 566 Y HA -0.027 4.523 4.550 0.000 0.000 0.288 566 Y C 1.947 177.829 175.900 -0.031 0.000 1.146 566 Y CA 0.916 59.115 58.100 0.164 0.000 1.164 566 Y CB -0.779 37.772 38.460 0.151 0.000 0.982 566 Y HN 0.116 nan 8.280 nan 0.000 0.515 567 L N 0.307 121.083 121.223 -0.746 0.000 2.042 567 L HA -0.255 4.085 4.340 0.000 0.000 0.210 567 L C 2.836 179.443 176.870 -0.438 0.000 1.076 567 L CA 1.473 55.817 54.840 -0.825 0.000 0.749 567 L CB -1.087 40.551 42.059 -0.702 0.000 0.893 567 L HN 0.428 nan 8.230 nan 0.000 0.432 568 A N -1.058 121.598 122.820 -0.274 0.000 1.855 568 A HA -0.186 4.135 4.320 0.000 0.000 0.213 568 A C 2.524 180.046 177.584 -0.103 0.000 1.195 568 A CA 1.702 53.643 52.037 -0.159 0.000 0.610 568 A CB -0.741 18.170 19.000 -0.147 0.000 0.837 568 A HN 0.337 nan 8.150 nan 0.000 0.444 569 S N -1.186 114.472 115.700 -0.071 0.000 2.368 569 S HA -0.129 4.341 4.470 0.000 0.000 0.225 569 S C 1.912 176.530 174.600 0.030 0.000 1.030 569 S CA 2.374 60.579 58.200 0.009 0.000 0.999 569 S CB -0.370 62.890 63.200 0.099 0.000 0.844 569 S HN 0.584 nan 8.310 nan 0.000 0.459 570 T N 0.886 115.428 114.554 -0.020 0.000 3.021 570 T HA 0.199 4.550 4.350 0.000 0.000 0.245 570 T C 1.349 176.017 174.700 -0.053 0.000 1.028 570 T CA 0.418 62.525 62.100 0.011 0.000 1.139 570 T CB -0.049 68.906 68.868 0.144 0.000 0.884 570 T HN 0.307 nan 8.240 nan 0.000 0.457 571 E N 1.293 121.370 120.200 -0.204 0.000 2.474 571 E HA 0.177 4.527 4.350 0.000 0.000 0.195 571 E C -0.095 176.484 176.600 -0.036 0.000 1.039 571 E CA -0.072 56.252 56.400 -0.126 0.000 0.881 571 E CB -0.264 29.298 29.700 -0.230 0.000 0.970 571 E HN 0.485 nan 8.360 nan 0.000 0.486 572 N N 0.627 119.316 118.700 -0.019 0.000 2.738 572 N HA -0.191 4.550 4.740 0.000 0.000 0.249 572 N C -0.938 174.646 175.510 0.124 0.000 1.047 572 N CA 0.276 53.383 53.050 0.094 0.000 0.707 572 N CB -1.202 37.388 38.487 0.172 0.000 0.937 572 N HN 0.204 nan 8.380 nan 0.000 0.545 573 I N 0.889 121.465 120.570 0.010 0.000 2.359 573 I HA 0.326 4.496 4.170 0.000 0.000 0.294 573 I C 0.621 176.727 176.117 -0.018 0.000 0.987 573 I CA -0.766 60.546 61.300 0.021 0.000 1.225 573 I CB 1.197 39.215 38.000 0.030 0.000 1.366 573 I HN 0.055 nan 8.210 nan 0.000 0.466 574 I N 6.735 127.308 120.570 0.005 0.000 2.471 574 I HA 0.135 4.305 4.170 0.000 0.000 0.286 574 I C -0.394 175.718 176.117 -0.007 0.000 1.079 574 I CA -0.312 60.960 61.300 -0.048 0.000 1.398 574 I CB 0.871 38.858 38.000 -0.021 0.000 1.403 574 I HN 0.199 nan 8.210 nan 0.000 0.530 575 V N 6.892 126.790 119.914 -0.027 0.000 2.334 575 V HA 0.589 4.709 4.120 0.000 0.000 0.281 575 V C 0.364 176.496 176.094 0.063 0.000 1.016 575 V CA -0.428 61.901 62.300 0.049 0.000 0.832 575 V CB 1.123 32.965 31.823 0.033 0.000 0.999 575 V HN 0.848 nan 8.190 nan 0.000 0.439 576 A N 3.992 126.880 122.820 0.112 0.000 2.330 576 A HA 0.960 5.280 4.320 0.000 0.000 0.329 576 A C -0.174 177.581 177.584 0.285 0.000 1.135 576 A CA -0.546 51.569 52.037 0.130 0.000 0.817 576 A CB 1.734 20.677 19.000 -0.095 0.000 1.269 576 A HN 0.679 nan 8.150 nan 0.000 0.469 577 S N -0.250 115.666 115.700 0.361 0.000 2.540 577 S HA 0.687 5.157 4.470 0.000 0.000 0.275 577 S C -1.495 173.449 174.600 0.573 0.000 1.123 577 S CA -0.296 58.149 58.200 0.408 0.000 0.907 577 S CB 1.242 64.626 63.200 0.307 0.000 1.081 577 S HN 0.731 nan 8.310 nan 0.000 0.476 578 F N 2.071 122.242 119.950 0.368 0.000 2.540 578 F HA 0.523 5.050 4.527 0.000 0.000 0.317 578 F C -1.353 174.618 175.800 0.285 0.000 1.104 578 F CA -0.871 57.358 58.000 0.383 0.000 0.913 578 F CB 1.462 40.653 39.000 0.318 0.000 1.170 578 F HN 0.387 nan 8.300 nan 0.000 0.450 579 D N 4.547 124.655 120.400 -0.487 0.000 2.473 579 D HA 0.367 5.008 4.640 0.000 0.000 0.226 579 D C 0.345 176.220 176.300 -0.709 0.000 1.089 579 D CA 0.089 53.870 54.000 -0.364 0.000 0.883 579 D CB 1.423 42.208 40.800 -0.025 0.000 1.029 579 D HN 0.765 nan 8.370 nan 0.000 0.517 580 G N 1.190 109.643 108.800 -0.578 0.000 2.736 580 G HA2 0.299 4.260 3.960 0.000 0.000 0.229 580 G HA3 0.299 4.260 3.960 0.000 0.000 0.229 580 G C 0.128 174.909 174.900 -0.198 0.000 1.380 580 G CA -0.746 44.032 45.100 -0.537 0.000 1.040 580 G HN 0.283 nan 8.290 nan 0.000 0.568 581 R N -0.653 119.716 120.500 -0.217 0.000 2.585 581 R HA 0.336 4.676 4.340 0.000 0.000 0.275 581 R C 1.302 177.651 176.300 0.082 0.000 1.018 581 R CA 1.479 57.617 56.100 0.063 0.000 1.072 581 R CB 0.331 30.695 30.300 0.108 0.000 0.953 581 R HN 1.077 nan 8.270 nan 0.000 0.419 582 G N 1.097 109.952 108.800 0.092 0.000 2.258 582 G HA2 -0.349 3.611 3.960 0.000 0.000 0.233 582 G HA3 -0.349 3.611 3.960 0.000 0.000 0.233 582 G C 0.210 175.079 174.900 -0.052 0.000 1.006 582 G CA 0.173 45.294 45.100 0.034 0.000 0.620 582 G HN 0.764 nan 8.290 nan 0.000 0.511 583 S N 0.623 116.295 115.700 -0.045 0.000 2.580 583 S HA 0.579 5.049 4.470 0.000 0.000 0.266 583 S C 0.955 175.489 174.600 -0.111 0.000 1.354 583 S CA 0.740 58.886 58.200 -0.090 0.000 1.008 583 S CB 1.540 64.725 63.200 -0.026 0.000 0.898 583 S HN 1.754 nan 8.310 nan 0.000 0.555 584 G N -0.621 108.064 108.800 -0.192 0.000 2.642 584 G HA2 0.493 4.453 3.960 0.000 0.000 0.291 584 G HA3 0.493 4.453 3.960 0.000 0.000 0.291 584 G C -0.884 173.864 174.900 -0.254 0.000 1.345 584 G CA -0.962 43.901 45.100 -0.394 0.000 1.043 584 G HN 0.952 nan 8.290 nan 0.000 0.528 585 Y N -2.177 118.129 120.300 0.009 0.000 4.604 585 Y HA -0.222 4.328 4.550 0.000 0.000 0.230 585 Y C 1.428 177.345 175.900 0.028 0.000 1.066 585 Y CA 1.177 59.292 58.100 0.027 0.000 1.990 585 Y CB -2.160 36.336 38.460 0.061 0.000 1.619 585 Y HN 0.529 nan 8.280 nan 0.000 0.649 586 Q N -0.143 119.685 119.800 0.048 0.000 2.086 586 Q HA 0.503 4.844 4.340 0.000 0.000 0.220 586 Q C 0.892 176.817 176.000 -0.125 0.000 0.792 586 Q CA 0.194 56.039 55.803 0.071 0.000 1.062 586 Q CB 1.598 30.378 28.738 0.070 0.000 1.198 586 Q HN 0.566 nan 8.270 nan 0.000 0.466 587 G N 0.815 109.406 108.800 -0.348 0.000 2.675 587 G HA2 -0.175 3.786 3.960 0.000 0.000 0.686 587 G HA3 -0.175 3.786 3.960 0.000 0.000 0.686 587 G C -0.469 174.059 174.900 -0.620 0.000 1.215 587 G CA -0.606 43.991 45.100 -0.840 0.000 0.777 587 G HN 0.107 nan 8.290 nan 0.000 0.638 588 D N 0.252 120.244 120.400 -0.680 0.000 2.218 588 D HA -0.065 4.575 4.640 0.000 0.000 0.204 588 D C 2.257 178.288 176.300 -0.448 0.000 0.976 588 D CA 1.440 55.007 54.000 -0.722 0.000 0.853 588 D CB 0.048 40.383 40.800 -0.775 0.000 0.939 588 D HN 0.540 nan 8.370 nan 0.000 0.481 589 K N 0.874 121.065 120.400 -0.349 0.000 2.074 589 K HA -0.103 4.217 4.320 0.000 0.000 0.209 589 K C 1.896 178.445 176.600 -0.086 0.000 1.048 589 K CA 1.058 57.241 56.287 -0.173 0.000 0.926 589 K CB -0.341 32.067 32.500 -0.153 0.000 0.713 589 K HN 0.156 nan 8.250 nan 0.000 0.444 590 I N -0.402 120.101 120.570 -0.111 0.000 2.339 590 I HA -0.102 4.068 4.170 0.000 0.000 0.245 590 I C 2.519 178.641 176.117 0.009 0.000 1.096 590 I CA 0.924 62.236 61.300 0.020 0.000 1.408 590 I CB -0.129 37.901 38.000 0.050 0.000 1.092 590 I HN 0.252 nan 8.210 nan 0.000 0.423 591 M N -0.085 119.441 119.600 -0.123 0.000 2.229 591 M HA -0.203 4.277 4.480 0.000 0.000 0.264 591 M C 1.768 178.101 176.300 0.056 0.000 1.063 591 M CA 1.939 57.181 55.300 -0.096 0.000 1.114 591 M CB -0.230 32.215 32.600 -0.260 0.000 1.387 591 M HN 0.282 nan 8.290 nan 0.000 0.420 592 H N -0.986 117.999 119.070 -0.143 0.000 2.539 592 H HA 0.217 4.773 4.556 0.000 0.000 0.269 592 H C 1.908 177.250 175.328 0.024 0.000 0.980 592 H CA 0.168 56.137 56.048 -0.131 0.000 1.152 592 H CB 0.297 29.891 29.762 -0.280 0.000 1.407 592 H HN 0.513 nan 8.280 nan 0.000 0.564 593 A N 1.636 124.570 122.820 0.190 0.000 1.978 593 A HA -0.150 4.171 4.320 0.000 0.000 0.220 593 A C 1.989 179.720 177.584 0.246 0.000 1.170 593 A CA 1.216 53.406 52.037 0.256 0.000 0.636 593 A CB -0.697 18.485 19.000 0.303 0.000 0.810 593 A HN 0.576 nan 8.150 nan 0.000 0.448 594 I N -3.174 117.496 120.570 0.166 0.000 3.884 594 I HA 0.188 4.358 4.170 0.000 0.000 0.330 594 I C 0.249 176.383 176.117 0.029 0.000 1.451 594 I CA -0.506 60.806 61.300 0.021 0.000 1.165 594 I CB -0.533 37.483 38.000 0.027 0.000 1.097 594 I HN 0.197 nan 8.210 nan 0.000 0.404 595 N N 2.856 121.620 118.700 0.106 0.000 2.447 595 N HA -0.005 4.735 4.740 0.000 0.000 0.263 595 N C 0.245 175.749 175.510 -0.011 0.000 1.226 595 N CA 0.158 53.284 53.050 0.126 0.000 0.906 595 N CB 0.396 38.927 38.487 0.074 0.000 1.060 595 N HN 0.423 nan 8.380 nan 0.000 0.468 596 R N 0.644 121.129 120.500 -0.025 0.000 4.010 596 R HA -0.198 4.143 4.340 0.000 0.000 0.409 596 R C -0.166 176.035 176.300 -0.165 0.000 1.120 596 R CA 0.964 57.020 56.100 -0.073 0.000 1.244 596 R CB -0.857 29.411 30.300 -0.052 0.000 1.799 596 R HN 0.553 nan 8.270 nan 0.000 0.559 597 R N 0.604 120.978 120.500 -0.211 0.000 2.776 597 R HA 0.268 4.608 4.340 0.000 0.000 0.391 597 R C -0.860 175.405 176.300 -0.058 0.000 1.116 597 R CA -0.507 55.345 56.100 -0.414 0.000 1.056 597 R CB 0.423 30.400 30.300 -0.539 0.000 1.369 597 R HN -0.062 nan 8.270 nan 0.000 0.590 598 L N -0.089 121.175 121.223 0.068 0.000 2.514 598 L HA 0.209 4.549 4.340 0.000 0.000 0.280 598 L C 1.443 178.547 176.870 0.391 0.000 1.223 598 L CA 1.673 56.567 54.840 0.090 0.000 0.864 598 L CB 0.493 42.337 42.059 -0.358 0.000 1.118 598 L HN 0.702 nan 8.230 nan 0.000 0.494 599 G N 1.096 110.181 108.800 0.474 0.000 2.147 599 G HA2 -0.300 3.661 3.960 0.000 0.000 0.244 599 G HA3 -0.300 3.661 3.960 0.000 0.000 0.244 599 G C 0.524 175.565 174.900 0.236 0.000 1.005 599 G CA 0.953 46.331 45.100 0.462 0.000 0.713 599 G HN 0.945 nan 8.290 nan 0.000 0.515 600 T N -3.744 110.900 114.554 0.149 0.000 3.257 600 T HA 0.471 4.821 4.350 0.000 0.000 0.176 600 T C 1.659 176.451 174.700 0.153 0.000 0.892 600 T CA 0.880 63.009 62.100 0.048 0.000 1.147 600 T CB -0.032 68.697 68.868 -0.231 0.000 1.840 600 T HN 0.141 nan 8.240 nan 0.000 0.375 601 F N 3.310 123.303 119.950 0.072 0.000 2.120 601 F HA 0.034 4.561 4.527 0.000 0.000 0.300 601 F C 2.614 178.441 175.800 0.044 0.000 1.095 601 F CA 1.294 59.319 58.000 0.042 0.000 1.249 601 F CB -1.210 37.807 39.000 0.028 0.000 0.995 601 F HN 0.639 nan 8.300 nan 0.000 0.480 602 E N 0.048 120.403 120.200 0.258 0.000 2.153 602 E HA -0.141 4.209 4.350 0.000 0.000 0.194 602 E C 2.008 178.719 176.600 0.185 0.000 0.988 602 E CA 1.705 58.222 56.400 0.194 0.000 0.811 602 E CB -0.843 28.983 29.700 0.210 0.000 0.746 602 E HN 0.253 nan 8.360 nan 0.000 0.466 603 V N 1.507 121.522 119.914 0.169 0.000 2.302 603 V HA -0.199 3.921 4.120 0.000 0.000 0.243 603 V C 2.235 178.385 176.094 0.093 0.000 1.036 603 V CA 2.048 64.410 62.300 0.103 0.000 1.020 603 V CB -0.661 31.190 31.823 0.047 0.000 0.657 603 V HN 0.215 nan 8.190 nan 0.000 0.453 604 E N 0.406 120.674 120.200 0.114 0.000 2.070 604 E HA -0.280 4.070 4.350 0.000 0.000 0.197 604 E C 1.979 178.610 176.600 0.051 0.000 1.004 604 E CA 1.767 58.220 56.400 0.089 0.000 0.805 604 E CB -0.250 29.527 29.700 0.128 0.000 0.744 604 E HN 0.588 nan 8.360 nan 0.000 0.451 605 D N 0.187 120.628 120.400 0.069 0.000 2.144 605 D HA -0.161 4.479 4.640 0.000 0.000 0.199 605 D C 1.982 178.304 176.300 0.037 0.000 0.984 605 D CA 0.912 54.937 54.000 0.041 0.000 0.834 605 D CB -0.240 40.619 40.800 0.099 0.000 0.955 605 D HN 0.021 nan 8.370 nan 0.000 0.465 606 Q N 0.345 120.228 119.800 0.139 0.000 2.096 606 Q HA -0.049 4.291 4.340 0.000 0.000 0.204 606 Q C 2.208 178.266 176.000 0.096 0.000 0.982 606 Q CA 0.883 56.784 55.803 0.163 0.000 0.850 606 Q CB -0.312 28.529 28.738 0.172 0.000 0.901 606 Q HN 0.380 nan 8.270 nan 0.000 0.422 607 I N -0.058 120.570 120.570 0.097 0.000 2.202 607 I HA -0.206 3.964 4.170 0.000 0.000 0.242 607 I C 2.232 178.321 176.117 -0.046 0.000 1.091 607 I CA 0.996 62.388 61.300 0.152 0.000 1.368 607 I CB -0.307 37.769 38.000 0.128 0.000 1.058 607 I HN 0.183 nan 8.210 nan 0.000 0.410 608 E N 1.131 121.253 120.200 -0.131 0.000 2.118 608 E HA -0.219 4.131 4.350 0.000 0.000 0.195 608 E C 2.242 178.577 176.600 -0.441 0.000 0.992 608 E CA 1.520 57.780 56.400 -0.233 0.000 0.804 608 E CB -0.086 29.492 29.700 -0.203 0.000 0.741 608 E HN 0.485 nan 8.360 nan 0.000 0.458 609 A N 0.865 123.287 122.820 -0.663 0.000 1.930 609 A HA -0.043 4.277 4.320 0.000 0.000 0.217 609 A C 2.384 179.244 177.584 -1.206 0.000 1.175 609 A CA 1.859 53.181 52.037 -1.191 0.000 0.627 609 A CB -0.473 17.530 19.000 -1.661 0.000 0.815 609 A HN 0.282 nan 8.150 nan 0.000 0.443 610 A N -0.234 122.234 122.820 -0.587 0.000 1.930 610 A HA -0.129 4.191 4.320 0.000 0.000 0.217 610 A C 2.234 179.617 177.584 -0.336 0.000 1.175 610 A CA 1.308 53.150 52.037 -0.326 0.000 0.627 610 A CB -0.459 18.417 19.000 -0.205 0.000 0.815 610 A HN 0.507 nan 8.150 nan 0.000 0.443 611 R N -0.507 119.797 120.500 -0.327 0.000 2.091 611 R HA -0.160 4.180 4.340 0.000 0.000 0.238 611 R C 2.413 178.556 176.300 -0.261 0.000 1.136 611 R CA 1.668 57.616 56.100 -0.253 0.000 0.959 611 R CB -0.374 29.804 30.300 -0.204 0.000 0.856 611 R HN 0.675 nan 8.270 nan 0.000 0.437 612 Q N -0.462 119.114 119.800 -0.373 0.000 2.079 612 Q HA -0.126 4.215 4.340 0.000 0.000 0.200 612 Q C 2.025 177.889 176.000 -0.227 0.000 0.974 612 Q CA 1.232 56.836 55.803 -0.332 0.000 0.840 612 Q CB -0.097 28.373 28.738 -0.446 0.000 0.898 612 Q HN 0.253 nan 8.270 nan 0.000 0.430 613 F N 1.129 120.906 119.950 -0.289 0.000 2.134 613 F HA -0.191 4.337 4.527 0.000 0.000 0.299 613 F C 2.818 178.437 175.800 -0.302 0.000 1.097 613 F CA 1.354 59.170 58.000 -0.306 0.000 1.264 613 F CB -1.316 37.532 39.000 -0.253 0.000 1.001 613 F HN 0.090 nan 8.300 nan 0.000 0.479 614 S N 0.015 115.671 115.700 -0.073 0.000 2.382 614 S HA -0.207 4.263 4.470 0.000 0.000 0.228 614 S C 1.860 176.369 174.600 -0.151 0.000 1.027 614 S CA 1.124 59.248 58.200 -0.128 0.000 0.991 614 S CB -0.635 62.477 63.200 -0.146 0.000 0.823 614 S HN 0.386 nan 8.310 nan 0.000 0.469 615 K N 0.702 121.013 120.400 -0.147 0.000 2.365 615 K HA 0.222 4.543 4.320 0.000 0.000 0.199 615 K C 1.994 178.498 176.600 -0.160 0.000 1.045 615 K CA 0.829 57.035 56.287 -0.134 0.000 0.962 615 K CB -0.331 32.099 32.500 -0.116 0.000 0.759 615 K HN 0.406 nan 8.250 nan 0.000 0.469 616 M N -0.389 119.073 119.600 -0.231 0.000 2.521 616 M HA -0.166 4.315 4.480 0.000 0.000 0.260 616 M C 1.478 177.554 176.300 -0.374 0.000 1.068 616 M CA 1.588 56.682 55.300 -0.344 0.000 1.060 616 M CB -0.348 31.894 32.600 -0.597 0.000 1.398 616 M HN 0.584 nan 8.290 nan 0.000 0.473 617 G N 0.518 109.148 108.800 -0.283 0.000 2.383 617 G HA2 -0.330 3.631 3.960 0.000 0.000 0.229 617 G HA3 -0.330 3.631 3.960 0.000 0.000 0.229 617 G C 0.527 175.393 174.900 -0.058 0.000 1.089 617 G CA 0.382 45.402 45.100 -0.134 0.000 0.640 617 G HN 0.596 nan 8.290 nan 0.000 0.510 618 F N 0.950 120.949 119.950 0.082 0.000 2.641 618 F HA 0.791 5.318 4.527 0.001 0.000 0.302 618 F C 0.271 176.173 175.800 0.169 0.000 1.098 618 F CA -1.210 56.865 58.000 0.125 0.000 1.318 618 F CB 0.051 39.173 39.000 0.204 0.000 1.035 618 F HN 0.133 nan 8.300 nan 0.000 0.551 619 V N 1.463 121.325 119.914 -0.087 0.000 2.513 619 V HA 0.220 4.340 4.120 0.000 0.000 0.299 619 V C -0.651 175.416 176.094 -0.046 0.000 1.035 619 V CA -0.825 61.466 62.300 -0.016 0.000 0.889 619 V CB 1.671 33.404 31.823 -0.149 0.000 0.988 619 V HN 0.076 nan 8.190 nan 0.000 0.440 620 D N 3.778 124.152 120.400 -0.044 0.000 2.352 620 D HA 0.112 4.752 4.640 0.000 0.000 0.245 620 D C 1.211 177.455 176.300 -0.093 0.000 1.224 620 D CA 0.156 54.106 54.000 -0.082 0.000 0.879 620 D CB 0.526 41.255 40.800 -0.117 0.000 1.057 620 D HN 0.504 nan 8.370 nan 0.000 0.491 621 N N 3.233 121.881 118.700 -0.086 0.000 2.096 621 N HA -0.218 4.522 4.740 0.000 0.000 0.195 621 N C 0.774 176.238 175.510 -0.077 0.000 1.017 621 N CA 1.214 54.211 53.050 -0.089 0.000 0.870 621 N CB 0.118 38.557 38.487 -0.079 0.000 1.024 621 N HN 0.502 nan 8.380 nan 0.000 0.434 622 K N 0.556 120.922 120.400 -0.058 0.000 2.505 622 K HA 0.109 4.429 4.320 0.000 0.000 0.192 622 K C 0.167 176.769 176.600 0.002 0.000 1.025 622 K CA 0.238 56.509 56.287 -0.027 0.000 1.086 622 K CB 0.378 32.867 32.500 -0.018 0.000 0.840 622 K HN 0.089 nan 8.250 nan 0.000 0.514 623 R N 1.081 121.559 120.500 -0.038 0.000 2.674 623 R HA 0.333 4.674 4.340 0.000 0.000 0.270 623 R C -1.024 175.258 176.300 -0.030 0.000 1.492 623 R CA -0.113 55.971 56.100 -0.027 0.000 1.624 623 R CB 0.628 30.760 30.300 -0.279 0.000 1.307 623 R HN -0.004 nan 8.270 nan 0.000 0.683 624 I N 1.119 121.774 120.570 0.142 0.000 2.389 624 I HA 0.575 4.745 4.170 0.000 0.000 0.288 624 I C 0.003 176.382 176.117 0.436 0.000 0.999 624 I CA -0.773 60.639 61.300 0.187 0.000 1.129 624 I CB 1.867 39.816 38.000 -0.085 0.000 1.288 624 I HN 0.302 nan 8.210 nan 0.000 0.444 625 A N 7.238 130.434 122.820 0.626 0.000 2.346 625 A HA 0.913 5.233 4.320 0.000 0.000 0.313 625 A C -1.016 176.951 177.584 0.638 0.000 1.140 625 A CA -0.640 51.747 52.037 0.583 0.000 0.826 625 A CB 1.936 21.140 19.000 0.341 0.000 1.332 625 A HN 0.736 nan 8.150 nan 0.000 0.457 626 I N 0.502 121.380 120.570 0.513 0.000 2.722 626 I HA 0.721 4.892 4.170 0.000 0.000 0.295 626 I C -1.956 174.444 176.117 0.473 0.000 1.161 626 I CA -0.620 60.923 61.300 0.406 0.000 1.032 626 I CB 1.707 39.689 38.000 -0.029 0.000 1.244 626 I HN 0.930 nan 8.210 nan 0.000 0.421 627 W N 7.026 128.479 121.300 0.254 0.000 3.296 627 W HA 0.819 5.479 4.660 0.000 0.000 0.314 627 W C -1.640 175.045 176.519 0.277 0.000 1.238 627 W CA -1.035 56.467 57.345 0.263 0.000 1.193 627 W CB 1.070 30.733 29.460 0.338 0.000 1.383 627 W HN 0.823 nan 8.180 nan 0.000 0.545 628 G N 1.494 110.249 108.800 -0.075 0.000 2.673 628 G HA2 0.511 4.471 3.960 0.000 0.000 0.292 628 G HA3 0.511 4.471 3.960 0.000 0.000 0.292 628 G C -2.687 172.154 174.900 -0.098 0.000 1.450 628 G CA -0.665 44.244 45.100 -0.318 0.000 0.837 628 G HN 0.597 nan 8.290 nan 0.000 0.505 629 W N 1.031 122.145 121.300 -0.310 0.000 2.706 629 W HA 0.619 5.279 4.660 0.000 0.000 0.346 629 W C 0.801 177.264 176.519 -0.094 0.000 1.071 629 W CA 0.294 57.538 57.345 -0.168 0.000 1.206 629 W CB 1.773 31.119 29.460 -0.190 0.000 1.413 629 W HN 0.969 nan 8.180 nan 0.000 0.542 630 S N 1.346 117.271 115.700 0.375 0.000 4.114 630 S HA -0.424 4.046 4.470 0.000 0.000 0.618 630 S C 0.867 175.595 174.600 0.214 0.000 1.937 630 S CA 1.733 60.132 58.200 0.330 0.000 4.228 630 S CB -1.666 61.730 63.200 0.328 0.000 0.216 630 S HN 0.753 nan 8.310 nan 0.000 0.528 631 Y N 2.676 123.057 120.300 0.135 0.000 2.224 631 Y HA 0.025 4.575 4.550 0.000 0.000 0.289 631 Y C 2.342 178.429 175.900 0.312 0.000 1.146 631 Y CA 2.232 60.479 58.100 0.246 0.000 1.182 631 Y CB -0.990 37.690 38.460 0.366 0.000 0.983 631 Y HN 0.512 nan 8.280 nan 0.000 0.524 632 G N -0.964 108.112 108.800 0.460 0.000 2.470 632 G HA2 -0.205 3.756 3.960 0.000 0.000 0.220 632 G HA3 -0.205 3.756 3.960 0.000 0.000 0.220 632 G C 1.864 176.872 174.900 0.180 0.000 1.121 632 G CA 0.725 46.020 45.100 0.324 0.000 0.766 632 G HN 0.581 nan 8.290 nan 0.000 0.553 633 G N -0.204 108.686 108.800 0.149 0.000 2.403 633 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 633 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 633 G C 1.548 176.502 174.900 0.091 0.000 1.154 633 G CA 0.967 46.124 45.100 0.095 0.000 0.784 633 G HN 0.410 nan 8.290 nan 0.000 0.538 634 Y N 1.471 121.722 120.300 -0.082 0.000 2.114 634 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 634 Y C 2.766 178.618 175.900 -0.079 0.000 1.143 634 Y CA 1.735 59.728 58.100 -0.179 0.000 1.135 634 Y CB -0.536 37.665 38.460 -0.432 0.000 0.980 634 Y HN 0.021 nan 8.280 nan 0.000 0.499 635 V N -0.113 119.757 119.914 -0.073 0.000 2.287 635 V HA -0.364 3.756 4.120 0.000 0.000 0.248 635 V C 2.350 178.377 176.094 -0.111 0.000 1.053 635 V CA 2.548 64.799 62.300 -0.081 0.000 1.027 635 V CB -1.275 30.668 31.823 0.200 0.000 0.646 635 V HN 0.516 nan 8.190 nan 0.000 0.447 636 T N -0.130 114.413 114.554 -0.019 0.000 2.699 636 T HA -0.204 4.146 4.350 0.000 0.000 0.268 636 T C 2.095 176.765 174.700 -0.050 0.000 1.036 636 T CA 2.020 64.108 62.100 -0.021 0.000 1.147 636 T CB -0.283 68.650 68.868 0.108 0.000 0.862 636 T HN 0.531 nan 8.240 nan 0.000 0.446 637 S N 0.821 116.519 115.700 -0.003 0.000 2.402 637 S HA 0.033 4.503 4.470 0.000 0.000 0.229 637 S C 2.061 176.586 174.600 -0.125 0.000 1.021 637 S CA 0.789 59.010 58.200 0.036 0.000 0.974 637 S CB -0.209 63.049 63.200 0.096 0.000 0.800 637 S HN 0.318 nan 8.310 nan 0.000 0.484 638 M N 0.814 120.244 119.600 -0.283 0.000 2.200 638 M HA 0.037 4.518 4.480 0.000 0.000 0.265 638 M C 2.149 178.289 176.300 -0.267 0.000 1.066 638 M CA 0.918 56.027 55.300 -0.317 0.000 1.127 638 M CB -1.295 31.023 32.600 -0.471 0.000 1.379 638 M HN 0.168 nan 8.290 nan 0.000 0.420 639 V N 0.665 120.418 119.914 -0.268 0.000 2.270 639 V HA -0.231 3.889 4.120 0.000 0.000 0.245 639 V C 2.496 178.378 176.094 -0.353 0.000 1.043 639 V CA 1.364 63.493 62.300 -0.285 0.000 1.014 639 V CB -0.636 30.945 31.823 -0.403 0.000 0.645 639 V HN 0.384 nan 8.190 nan 0.000 0.447 640 L N 0.483 121.438 121.223 -0.448 0.000 2.187 640 L HA -0.086 4.254 4.340 0.000 0.000 0.213 640 L C 2.172 178.475 176.870 -0.945 0.000 1.100 640 L CA 1.535 56.020 54.840 -0.592 0.000 0.765 640 L CB -0.728 40.979 42.059 -0.588 0.000 0.904 640 L HN 0.496 nan 8.230 nan 0.000 0.437 641 G N -1.481 106.742 108.800 -0.961 0.000 3.233 641 G HA2 -0.017 3.943 3.960 0.000 0.000 0.227 641 G HA3 -0.017 3.943 3.960 0.000 0.000 0.227 641 G C 1.421 176.123 174.900 -0.330 0.000 1.175 641 G CA 0.562 45.189 45.100 -0.789 0.000 0.781 641 G HN 0.431 nan 8.290 nan 0.000 0.542 642 S N -0.776 114.768 115.700 -0.261 0.000 2.478 642 S HA 0.313 4.783 4.470 0.000 0.000 0.222 642 S C 1.821 176.368 174.600 -0.088 0.000 1.008 642 S CA 0.936 59.060 58.200 -0.127 0.000 0.928 642 S CB -0.049 63.102 63.200 -0.082 0.000 0.781 642 S HN 1.346 nan 8.310 nan 0.000 0.518 643 G N 1.685 110.419 108.800 -0.110 0.000 2.246 643 G HA2 -0.293 3.668 3.960 0.000 0.000 0.273 643 G HA3 -0.293 3.668 3.960 0.000 0.000 0.273 643 G C 0.686 175.575 174.900 -0.019 0.000 1.055 643 G CA 0.667 45.731 45.100 -0.061 0.000 0.851 643 G HN 1.292 nan 8.290 nan 0.000 0.500 644 S N -1.009 114.695 115.700 0.007 0.000 2.562 644 S HA 0.375 4.845 4.470 0.000 0.000 0.221 644 S C 2.339 176.953 174.600 0.024 0.000 0.975 644 S CA 1.223 59.439 58.200 0.027 0.000 0.918 644 S CB 0.137 63.379 63.200 0.070 0.000 0.772 644 S HN 2.311 nan 8.310 nan 0.000 0.531 645 G N 0.698 109.517 108.800 0.033 0.000 2.186 645 G HA2 -0.311 3.649 3.960 0.000 0.000 0.266 645 G HA3 -0.311 3.649 3.960 0.000 0.000 0.266 645 G C 0.752 175.650 174.900 -0.003 0.000 0.982 645 G CA 0.573 45.685 45.100 0.020 0.000 0.670 645 G HN 0.680 nan 8.290 nan 0.000 0.533 646 V N -0.947 118.961 119.914 -0.011 0.000 2.591 646 V HA 0.252 4.373 4.120 0.000 0.000 0.249 646 V C 1.253 177.124 176.094 -0.370 0.000 1.053 646 V CA 1.338 63.504 62.300 -0.222 0.000 1.068 646 V CB -0.336 31.257 31.823 -0.383 0.000 0.689 646 V HN 0.309 nan 8.190 nan 0.000 0.462 647 F N 0.104 120.072 119.950 0.030 0.000 2.421 647 F HA 0.390 4.917 4.527 0.000 0.000 0.337 647 F C 1.192 177.041 175.800 0.080 0.000 1.105 647 F CA -0.416 57.629 58.000 0.075 0.000 1.049 647 F CB 1.353 40.402 39.000 0.082 0.000 1.139 647 F HN -0.248 nan 8.300 nan 0.000 0.479 648 K N 1.709 122.264 120.400 0.259 0.000 2.137 648 K HA 0.086 4.406 4.320 0.000 0.000 0.202 648 K C -0.021 176.706 176.600 0.212 0.000 1.052 648 K CA 0.899 57.304 56.287 0.197 0.000 0.961 648 K CB 0.241 32.854 32.500 0.188 0.000 0.741 648 K HN 0.811 nan 8.250 nan 0.000 0.452 649 c N -3.053 115.711 118.600 0.273 0.000 3.320 649 c HA 0.887 5.457 4.570 0.000 0.000 0.335 649 c C -0.247 174.070 174.090 0.378 0.000 1.430 649 c CA -0.558 55.944 56.329 0.288 0.000 1.271 649 c CB 1.121 43.695 42.510 0.107 0.000 1.609 649 c HN 0.338 nan 8.230 nan 0.000 0.457 650 G N -0.155 108.944 108.800 0.500 0.000 2.601 650 G HA2 0.710 4.670 3.960 0.000 0.000 0.291 650 G HA3 0.710 4.670 3.960 0.000 0.000 0.291 650 G C -2.036 173.157 174.900 0.488 0.000 1.456 650 G CA -0.677 44.707 45.100 0.473 0.000 0.804 650 G HN 1.046 nan 8.290 nan 0.000 0.499 651 I N 0.604 121.424 120.570 0.417 0.000 2.499 651 I HA 0.614 4.784 4.170 0.000 0.000 0.288 651 I C 0.055 176.338 176.117 0.276 0.000 1.048 651 I CA -0.998 60.440 61.300 0.230 0.000 1.062 651 I CB 2.265 40.386 38.000 0.201 0.000 1.238 651 I HN 0.675 nan 8.210 nan 0.000 0.426 652 A N 6.485 129.351 122.820 0.077 0.000 2.291 652 A HA 0.782 5.102 4.320 0.000 0.000 0.311 652 A C -0.754 176.761 177.584 -0.115 0.000 1.224 652 A CA -0.514 51.562 52.037 0.065 0.000 0.821 652 A CB 1.147 20.242 19.000 0.158 0.000 1.172 652 A HN 0.439 nan 8.150 nan 0.000 0.494 653 V N 2.103 121.902 119.914 -0.192 0.000 2.398 653 V HA 0.572 4.692 4.120 0.000 0.000 0.286 653 V C 0.984 176.718 176.094 -0.599 0.000 1.026 653 V CA 0.278 62.248 62.300 -0.550 0.000 0.868 653 V CB 0.942 32.114 31.823 -1.084 0.000 0.982 653 V HN 2.055 nan 8.190 nan 0.000 0.443 654 A N 5.571 128.002 122.820 -0.649 0.000 2.364 654 A HA -0.109 4.211 4.320 0.000 0.000 0.288 654 A C -1.823 175.616 177.584 -0.241 0.000 1.433 654 A CA 0.532 52.085 52.037 -0.806 0.000 0.757 654 A CB -1.511 17.130 19.000 -0.598 0.000 1.098 654 A HN 0.615 nan 8.150 nan 0.000 0.380 655 P HA 0.508 nan 4.420 nan 0.000 0.282 655 P C 0.024 177.313 177.300 -0.018 0.000 1.259 655 P CA -0.421 62.674 63.100 -0.007 0.000 0.826 655 P CB 1.494 33.210 31.700 0.028 0.000 1.064 656 V N 1.640 121.462 119.914 -0.153 0.000 2.686 656 V HA 0.133 4.253 4.120 0.000 0.000 0.295 656 V C 1.639 177.601 176.094 -0.220 0.000 1.057 656 V CA 0.659 62.742 62.300 -0.361 0.000 1.012 656 V CB 0.981 32.233 31.823 -0.951 0.000 1.006 656 V HN 0.820 nan 8.190 nan 0.000 0.477 657 S N 3.294 118.876 115.700 -0.196 0.000 2.575 657 S HA 0.262 4.732 4.470 0.000 0.000 0.230 657 S C 0.410 174.867 174.600 -0.239 0.000 1.062 657 S CA -0.407 57.732 58.200 -0.101 0.000 0.913 657 S CB 0.315 63.513 63.200 -0.004 0.000 0.837 657 S HN 0.848 nan 8.310 nan 0.000 0.487 658 R N -1.180 119.039 120.500 -0.468 0.000 2.536 658 R HA 0.450 4.791 4.340 0.000 0.000 0.269 658 R C -0.979 174.972 176.300 -0.581 0.000 1.113 658 R CA -0.894 54.867 56.100 -0.566 0.000 0.948 658 R CB -0.269 29.676 30.300 -0.592 0.000 1.237 658 R HN 0.109 nan 8.270 nan 0.000 0.441 659 W N 1.420 122.653 121.300 -0.113 0.000 2.364 659 W HA -0.053 4.607 4.660 0.000 0.000 0.281 659 W C 1.240 177.908 176.519 0.248 0.000 1.219 659 W CA 1.057 58.429 57.345 0.045 0.000 1.220 659 W CB 0.109 29.506 29.460 -0.104 0.000 1.127 659 W HN 0.743 nan 8.180 nan 0.000 0.556 660 E N -0.880 119.505 120.200 0.308 0.000 2.265 660 E HA -0.212 4.138 4.350 0.000 0.000 0.196 660 E C 1.460 178.208 176.600 0.247 0.000 0.996 660 E CA 0.983 57.499 56.400 0.194 0.000 0.832 660 E CB -0.268 29.433 29.700 0.001 0.000 0.756 660 E HN 0.367 nan 8.360 nan 0.000 0.491 661 Y N -1.454 118.940 120.300 0.156 0.000 2.519 661 Y HA 0.017 4.567 4.550 0.000 0.000 0.287 661 Y C 0.826 176.825 175.900 0.164 0.000 1.128 661 Y CA -0.133 58.027 58.100 0.100 0.000 1.282 661 Y CB -0.492 37.973 38.460 0.008 0.000 1.027 661 Y HN 0.025 nan 8.280 nan 0.000 0.551 662 Y N 1.807 122.263 120.300 0.260 0.000 2.340 662 Y HA 0.264 4.814 4.550 0.000 0.000 0.327 662 Y C 0.360 176.489 175.900 0.382 0.000 1.321 662 Y CA -2.035 56.233 58.100 0.280 0.000 1.433 662 Y CB 0.257 38.925 38.460 0.346 0.000 1.373 662 Y HN 0.173 nan 8.280 nan 0.000 0.538 663 D N -0.791 119.284 120.400 -0.542 0.000 2.362 663 D HA 0.110 4.750 4.640 0.000 0.000 0.242 663 D C 0.914 177.202 176.300 -0.020 0.000 1.132 663 D CA 0.317 54.130 54.000 -0.311 0.000 0.907 663 D CB 0.940 41.358 40.800 -0.636 0.000 1.195 663 D HN 0.465 nan 8.370 nan 0.000 0.429 664 S N 1.223 116.923 115.700 0.000 0.000 2.348 664 S HA -0.219 4.251 4.470 0.000 0.000 0.221 664 S C 1.942 176.563 174.600 0.036 0.000 1.033 664 S CA 1.206 59.450 58.200 0.074 0.000 1.010 664 S CB -1.054 62.195 63.200 0.083 0.000 0.891 664 S HN 0.427 nan 8.310 nan 0.000 0.442 665 V N 0.915 120.789 119.914 -0.067 0.000 2.282 665 V HA -0.196 3.924 4.120 0.000 0.000 0.249 665 V C 2.345 178.335 176.094 -0.172 0.000 1.057 665 V CA 2.339 64.501 62.300 -0.229 0.000 1.032 665 V CB -1.146 30.385 31.823 -0.487 0.000 0.645 665 V HN 0.623 nan 8.190 nan 0.000 0.447 666 Y N 1.157 121.395 120.300 -0.103 0.000 2.184 666 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 666 Y C 2.681 178.614 175.900 0.054 0.000 1.129 666 Y CA 2.184 60.313 58.100 0.048 0.000 1.144 666 Y CB -0.553 38.123 38.460 0.360 0.000 0.995 666 Y HN 0.209 nan 8.280 nan 0.000 0.513 667 T N 0.512 115.287 114.554 0.369 0.000 2.643 667 T HA -0.201 4.149 4.350 0.000 0.000 0.264 667 T C 1.577 176.249 174.700 -0.046 0.000 1.045 667 T CA 1.986 64.234 62.100 0.247 0.000 1.155 667 T CB -0.358 68.801 68.868 0.485 0.000 0.863 667 T HN 0.427 nan 8.240 nan 0.000 0.420 668 E N 0.667 120.875 120.200 0.014 0.000 2.160 668 E HA -0.159 4.191 4.350 0.000 0.000 0.195 668 E C 2.312 178.782 176.600 -0.216 0.000 0.991 668 E CA 0.687 57.080 56.400 -0.012 0.000 0.810 668 E CB -0.178 29.558 29.700 0.061 0.000 0.742 668 E HN 0.329 nan 8.360 nan 0.000 0.466 669 R N 0.110 120.330 120.500 -0.467 0.000 2.139 669 R HA -0.204 4.136 4.340 0.000 0.000 0.243 669 R C 1.123 176.841 176.300 -0.971 0.000 1.145 669 R CA 1.614 57.233 56.100 -0.801 0.000 0.976 669 R CB -0.007 29.515 30.300 -1.296 0.000 0.866 669 R HN 0.268 nan 8.270 nan 0.000 0.449 670 Y N -2.548 117.435 120.300 -0.530 0.000 2.462 670 Y HA 0.255 4.805 4.550 0.000 0.000 0.253 670 Y C 1.529 177.229 175.900 -0.332 0.000 1.095 670 Y CA -0.138 57.649 58.100 -0.522 0.000 1.283 670 Y CB 0.561 38.580 38.460 -0.736 0.000 1.138 670 Y HN -0.046 nan 8.280 nan 0.000 0.522 671 M N -0.318 119.161 119.600 -0.202 0.000 2.306 671 M HA 0.387 4.867 4.480 0.000 0.000 0.292 671 M C 1.007 177.317 176.300 0.017 0.000 1.018 671 M CA 0.713 55.895 55.300 -0.195 0.000 1.007 671 M CB -0.107 32.158 32.600 -0.557 0.000 1.510 671 M HN 0.327 nan 8.290 nan 0.000 0.537 672 G N 1.884 110.706 108.800 0.037 0.000 2.645 672 G HA2 -0.199 3.761 3.960 0.000 0.000 0.246 672 G HA3 -0.199 3.761 3.960 0.000 0.000 0.246 672 G C -0.738 174.295 174.900 0.223 0.000 1.322 672 G CA -0.813 44.348 45.100 0.102 0.000 0.898 672 G HN 0.227 nan 8.290 nan 0.000 0.573 673 L N 2.234 123.557 121.223 0.167 0.000 2.379 673 L HA 0.534 4.874 4.340 0.000 0.000 0.269 673 L C -1.317 175.568 176.870 0.026 0.000 1.084 673 L CA -1.952 52.950 54.840 0.104 0.000 0.802 673 L CB 1.015 43.093 42.059 0.033 0.000 1.175 673 L HN 0.458 nan 8.230 nan 0.000 0.448 674 P HA 0.134 nan 4.420 nan 0.000 0.214 674 P C -0.816 176.345 177.300 -0.231 0.000 1.826 674 P CA -0.170 62.558 63.100 -0.620 0.000 0.977 674 P CB -0.282 30.762 31.700 -1.094 0.000 1.930 675 T N -2.290 112.213 114.554 -0.085 0.000 2.907 675 T HA 0.459 4.809 4.350 0.000 0.000 0.292 675 T C -2.015 172.685 174.700 0.001 0.000 1.043 675 T CA -2.407 59.670 62.100 -0.038 0.000 1.003 675 T CB 2.073 70.929 68.868 -0.021 0.000 1.084 675 T HN -0.188 nan 8.240 nan 0.000 0.483 676 P HA -0.096 nan 4.420 nan 0.000 0.218 676 P C 0.835 178.149 177.300 0.025 0.000 1.148 676 P CA 1.210 64.322 63.100 0.020 0.000 0.822 676 P CB 0.232 31.940 31.700 0.013 0.000 0.784 677 E N -0.412 119.798 120.200 0.017 0.000 2.106 677 E HA -0.126 4.224 4.350 0.000 0.000 0.192 677 E C 1.760 178.376 176.600 0.027 0.000 0.984 677 E CA 1.085 57.496 56.400 0.017 0.000 0.806 677 E CB -0.514 29.192 29.700 0.010 0.000 0.750 677 E HN 0.324 nan 8.360 nan 0.000 0.458 678 D N -0.555 119.866 120.400 0.036 0.000 2.556 678 D HA 0.059 4.699 4.640 0.000 0.000 0.260 678 D C 0.494 176.845 176.300 0.085 0.000 1.329 678 D CA 0.290 54.322 54.000 0.054 0.000 1.088 678 D CB -0.080 40.755 40.800 0.059 0.000 0.925 678 D HN 0.004 nan 8.370 nan 0.000 0.247 679 N N -0.099 118.685 118.700 0.140 0.000 2.238 679 N HA 0.022 4.763 4.740 0.000 0.000 0.235 679 N C 1.413 177.112 175.510 0.316 0.000 1.209 679 N CA -0.160 53.017 53.050 0.213 0.000 0.879 679 N CB 0.677 39.309 38.487 0.241 0.000 1.136 679 N HN 0.016 nan 8.380 nan 0.000 0.517 680 L N 1.263 122.601 121.223 0.193 0.000 2.081 680 L HA -0.195 4.145 4.340 0.000 0.000 0.212 680 L C 1.431 178.416 176.870 0.191 0.000 1.080 680 L CA 1.952 56.882 54.840 0.150 0.000 0.754 680 L CB -0.421 41.657 42.059 0.033 0.000 0.893 680 L HN 0.176 nan 8.230 nan 0.000 0.433 681 D N -1.523 118.973 120.400 0.161 0.000 2.123 681 D HA -0.249 4.391 4.640 0.000 0.000 0.196 681 D C 1.928 178.340 176.300 0.186 0.000 0.992 681 D CA 1.732 55.818 54.000 0.143 0.000 0.833 681 D CB -0.166 40.703 40.800 0.115 0.000 0.954 681 D HN 0.574 nan 8.370 nan 0.000 0.455 682 H N -0.846 118.295 119.070 0.119 0.000 2.512 682 H HA -0.015 4.541 4.556 0.000 0.000 0.279 682 H C 1.577 176.981 175.328 0.125 0.000 0.999 682 H CA 0.840 56.937 56.048 0.082 0.000 1.283 682 H CB -0.195 29.576 29.762 0.015 0.000 1.421 682 H HN 0.124 nan 8.280 nan 0.000 0.554 683 Y N 0.104 120.412 120.300 0.014 0.000 2.224 683 Y HA -0.131 4.419 4.550 0.000 0.000 0.289 683 Y C 2.169 178.047 175.900 -0.038 0.000 1.146 683 Y CA 1.211 59.319 58.100 0.012 0.000 1.182 683 Y CB 0.241 38.733 38.460 0.055 0.000 0.983 683 Y HN 0.103 nan 8.280 nan 0.000 0.524 684 R N -0.499 120.085 120.500 0.139 0.000 2.200 684 R HA -0.039 4.302 4.340 0.000 0.000 0.208 684 R C 1.340 177.648 176.300 0.013 0.000 1.033 684 R CA 0.577 56.712 56.100 0.058 0.000 1.000 684 R CB -0.622 29.712 30.300 0.058 0.000 0.906 684 R HN 0.300 nan 8.270 nan 0.000 0.462 685 N N 0.810 119.504 118.700 -0.010 0.000 2.336 685 N HA -0.041 4.699 4.740 0.000 0.000 0.189 685 N C 0.009 175.476 175.510 -0.072 0.000 1.113 685 N CA 0.335 53.381 53.050 -0.007 0.000 0.858 685 N CB 0.419 38.955 38.487 0.081 0.000 0.970 685 N HN 0.094 nan 8.380 nan 0.000 0.471 686 S N -0.967 114.636 115.700 -0.161 0.000 2.562 686 S HA 0.132 4.602 4.470 0.000 0.000 0.246 686 S C 0.432 175.063 174.600 0.052 0.000 1.056 686 S CA -0.733 57.419 58.200 -0.081 0.000 1.042 686 S CB -0.345 62.720 63.200 -0.226 0.000 0.822 686 S HN 0.182 nan 8.310 nan 0.000 0.465 687 T N -1.845 112.704 114.554 -0.008 0.000 2.934 687 T HA 0.563 4.914 4.350 0.000 0.000 0.283 687 T C 1.273 175.955 174.700 -0.030 0.000 1.005 687 T CA -0.641 61.439 62.100 -0.032 0.000 1.041 687 T CB 1.353 70.177 68.868 -0.073 0.000 1.042 687 T HN -0.043 nan 8.240 nan 0.000 0.505 688 V N 2.174 122.062 119.914 -0.043 0.000 2.379 688 V HA -0.136 3.985 4.120 0.000 0.000 0.245 688 V C 2.813 178.891 176.094 -0.026 0.000 1.044 688 V CA 1.609 63.883 62.300 -0.044 0.000 1.036 688 V CB -0.878 30.909 31.823 -0.060 0.000 0.664 688 V HN 0.868 nan 8.190 nan 0.000 0.453 689 M N 1.567 121.133 119.600 -0.056 0.000 2.106 689 M HA -0.166 4.314 4.480 0.000 0.000 0.259 689 M C 2.301 178.590 176.300 -0.019 0.000 1.068 689 M CA 2.421 57.687 55.300 -0.057 0.000 1.100 689 M CB -2.216 30.357 32.600 -0.046 0.000 1.351 689 M HN 0.586 nan 8.290 nan 0.000 0.404 690 S N 0.214 115.909 115.700 -0.009 0.000 2.595 690 S HA -0.019 4.451 4.470 0.000 0.000 0.235 690 S C 1.590 176.203 174.600 0.021 0.000 0.974 690 S CA 0.427 58.631 58.200 0.005 0.000 0.942 690 S CB -0.436 62.766 63.200 0.003 0.000 0.766 690 S HN 0.641 nan 8.310 nan 0.000 0.536 691 R N -0.123 120.403 120.500 0.043 0.000 2.543 691 R HA 0.491 4.831 4.340 0.000 0.000 0.323 691 R C 2.047 178.455 176.300 0.180 0.000 1.002 691 R CA 0.427 56.567 56.100 0.067 0.000 1.106 691 R CB -0.051 30.266 30.300 0.029 0.000 1.280 691 R HN 0.395 nan 8.270 nan 0.000 0.549 692 A N 1.628 124.534 122.820 0.144 0.000 1.903 692 A HA -0.312 4.008 4.320 0.000 0.000 0.219 692 A C 2.026 179.736 177.584 0.210 0.000 1.191 692 A CA 2.104 54.225 52.037 0.141 0.000 0.638 692 A CB -0.337 18.654 19.000 -0.016 0.000 0.823 692 A HN 0.304 nan 8.150 nan 0.000 0.451 693 E N 0.431 120.701 120.200 0.116 0.000 2.114 693 E HA -0.232 4.118 4.350 0.000 0.000 0.199 693 E C 1.616 178.273 176.600 0.095 0.000 1.008 693 E CA 2.082 58.537 56.400 0.092 0.000 0.810 693 E CB -0.565 29.168 29.700 0.054 0.000 0.739 693 E HN 0.780 nan 8.360 nan 0.000 0.456 694 N N -1.242 117.494 118.700 0.060 0.000 2.453 694 N HA -0.087 4.653 4.740 0.000 0.000 0.183 694 N C 0.910 176.378 175.510 -0.070 0.000 1.041 694 N CA 0.511 53.542 53.050 -0.031 0.000 0.900 694 N CB -0.168 38.249 38.487 -0.117 0.000 0.961 694 N HN 0.152 nan 8.380 nan 0.000 0.443 695 F N 1.289 121.202 119.950 -0.063 0.000 2.546 695 F HA -0.007 4.520 4.527 0.000 0.000 0.298 695 F C 1.842 177.651 175.800 0.015 0.000 1.120 695 F CA 0.738 58.697 58.000 -0.069 0.000 1.456 695 F CB 0.035 38.948 39.000 -0.145 0.000 1.088 695 F HN -0.044 nan 8.300 nan 0.000 0.572 696 K N 0.270 120.773 120.400 0.171 0.000 2.280 696 K HA -0.179 4.141 4.320 0.000 0.000 0.202 696 K C 1.583 178.248 176.600 0.109 0.000 1.047 696 K CA 1.195 57.565 56.287 0.139 0.000 0.942 696 K CB -0.188 32.373 32.500 0.101 0.000 0.739 696 K HN 0.486 nan 8.250 nan 0.000 0.457 697 Q N 0.299 120.144 119.800 0.075 0.000 2.280 697 Q HA 0.082 4.422 4.340 0.000 0.000 0.201 697 Q C 0.365 176.415 176.000 0.083 0.000 0.890 697 Q CA -0.046 55.795 55.803 0.064 0.000 0.947 697 Q CB 0.329 29.087 28.738 0.033 0.000 1.081 697 Q HN 0.078 nan 8.270 nan 0.000 0.502 698 V N -2.820 117.163 119.914 0.116 0.000 3.102 698 V HA 0.525 4.646 4.120 0.000 0.000 0.312 698 V C -1.352 174.896 176.094 0.258 0.000 1.135 698 V CA -1.252 61.144 62.300 0.161 0.000 1.022 698 V CB 2.377 34.271 31.823 0.118 0.000 1.056 698 V HN 0.099 nan 8.190 nan 0.000 0.436 699 E N 1.899 122.275 120.200 0.293 0.000 2.146 699 E HA 0.425 4.775 4.350 0.000 0.000 0.282 699 E C -1.854 175.124 176.600 0.629 0.000 0.989 699 E CA -0.347 56.293 56.400 0.399 0.000 0.799 699 E CB 1.708 31.562 29.700 0.255 0.000 1.088 699 E HN 0.702 nan 8.360 nan 0.000 0.397 700 Y N 3.606 124.183 120.300 0.461 0.000 2.376 700 Y HA 0.387 4.937 4.550 0.000 0.000 0.340 700 Y C -1.481 174.521 175.900 0.170 0.000 0.965 700 Y CA -1.095 57.224 58.100 0.365 0.000 1.078 700 Y CB 0.920 39.603 38.460 0.371 0.000 1.193 700 Y HN 0.437 nan 8.280 nan 0.000 0.452 701 L N 8.248 129.222 121.223 -0.415 0.000 2.294 701 L HA 0.473 4.813 4.340 0.000 0.000 0.283 701 L C -1.502 174.912 176.870 -0.760 0.000 1.015 701 L CA -0.694 53.704 54.840 -0.737 0.000 0.831 701 L CB 0.865 42.136 42.059 -1.314 0.000 1.217 701 L HN 0.683 nan 8.230 nan 0.000 0.420 702 L N 6.270 127.110 121.223 -0.639 0.000 2.282 702 L HA 0.587 4.928 4.340 0.000 0.000 0.288 702 L C -0.780 175.944 176.870 -0.243 0.000 1.033 702 L CA -0.459 54.048 54.840 -0.554 0.000 0.807 702 L CB 1.557 43.329 42.059 -0.479 0.000 1.209 702 L HN 0.603 nan 8.230 nan 0.000 0.423 703 I N 3.180 123.630 120.570 -0.199 0.000 2.730 703 I HA 0.459 4.630 4.170 0.000 0.000 0.298 703 I C -1.183 174.925 176.117 -0.016 0.000 1.089 703 I CA -0.785 60.452 61.300 -0.105 0.000 1.041 703 I CB 2.400 40.299 38.000 -0.169 0.000 1.235 703 I HN 0.628 nan 8.210 nan 0.000 0.423 704 H N 1.611 120.718 119.070 0.061 0.000 3.121 704 H HA 0.421 4.977 4.556 0.000 0.000 0.337 704 H C -0.538 175.000 175.328 0.350 0.000 1.198 704 H CA -0.609 55.535 56.048 0.160 0.000 1.274 704 H CB 1.884 31.719 29.762 0.121 0.000 1.954 704 H HN 0.767 nan 8.280 nan 0.000 0.531 705 G N 1.115 110.255 108.800 0.566 0.000 2.355 705 G HA2 0.223 4.183 3.960 0.000 0.000 0.276 705 G HA3 0.223 4.183 3.960 0.000 0.000 0.276 705 G C 1.200 176.364 174.900 0.440 0.000 1.198 705 G CA 0.167 45.548 45.100 0.468 0.000 0.876 705 G HN 0.749 nan 8.290 nan 0.000 0.478 706 T N -0.281 114.381 114.554 0.180 0.000 2.929 706 T HA 0.000 4.350 4.350 0.000 0.000 0.271 706 T C 1.756 176.443 174.700 -0.021 0.000 1.085 706 T CA 1.477 63.496 62.100 -0.134 0.000 1.125 706 T CB 0.078 68.784 68.868 -0.271 0.000 0.874 706 T HN 0.688 nan 8.240 nan 0.000 0.494 707 A N 0.920 123.801 122.820 0.102 0.000 2.577 707 A HA 0.304 4.624 4.320 0.000 0.000 0.280 707 A C 0.473 178.039 177.584 -0.031 0.000 1.331 707 A CA -0.464 51.618 52.037 0.076 0.000 0.935 707 A CB -0.312 18.967 19.000 0.464 0.000 1.082 707 A HN 0.413 nan 8.150 nan 0.000 0.525 708 D N 1.622 122.030 120.400 0.013 0.000 2.348 708 D HA -0.014 4.626 4.640 0.000 0.000 0.259 708 D C 0.370 176.659 176.300 -0.018 0.000 1.296 708 D CA 0.096 54.194 54.000 0.162 0.000 0.931 708 D CB 0.605 41.653 40.800 0.413 0.000 1.067 708 D HN 0.554 nan 8.370 nan 0.000 0.503 709 D N 2.180 122.608 120.400 0.047 0.000 2.347 709 D HA -0.116 4.524 4.640 0.000 0.000 0.215 709 D C 0.957 177.272 176.300 0.026 0.000 0.976 709 D CA 0.231 54.214 54.000 -0.028 0.000 0.884 709 D CB 0.223 40.988 40.800 -0.058 0.000 0.915 709 D HN 0.461 nan 8.370 nan 0.000 0.526 710 N N -0.092 118.717 118.700 0.181 0.000 2.426 710 N HA -0.021 4.720 4.740 0.000 0.000 0.205 710 N C -0.195 175.306 175.510 -0.016 0.000 1.040 710 N CA 0.064 53.263 53.050 0.248 0.000 0.990 710 N CB 0.788 39.395 38.487 0.199 0.000 1.215 710 N HN -0.176 nan 8.380 nan 0.000 0.491 711 V N 3.516 123.421 119.914 -0.016 0.000 2.258 711 V HA 0.179 4.300 4.120 0.000 0.000 0.258 711 V C -0.816 175.367 176.094 0.148 0.000 1.121 711 V CA -0.528 61.793 62.300 0.035 0.000 0.942 711 V CB -0.273 31.595 31.823 0.075 0.000 1.170 711 V HN 0.361 nan 8.190 nan 0.000 0.487 712 H N 2.927 121.989 119.070 -0.013 0.000 3.092 712 H HA -0.092 4.464 4.556 0.000 0.000 0.332 712 H C 0.942 176.159 175.328 -0.185 0.000 1.029 712 H CA 0.172 56.135 56.048 -0.142 0.000 1.376 712 H CB 0.377 29.971 29.762 -0.280 0.000 1.329 712 H HN 0.577 nan 8.280 nan 0.000 0.598 713 F N 1.915 121.704 119.950 -0.268 0.000 2.192 713 F HA -0.283 4.245 4.527 0.000 0.000 0.301 713 F C 2.545 178.073 175.800 -0.454 0.000 1.079 713 F CA 1.942 59.590 58.000 -0.587 0.000 1.303 713 F CB -0.135 38.673 39.000 -0.319 0.000 1.024 713 F HN 0.680 nan 8.300 nan 0.000 0.494 714 Q N 0.150 119.794 119.800 -0.259 0.000 2.156 714 Q HA -0.312 4.028 4.340 0.000 0.000 0.211 714 Q C 2.082 177.821 176.000 -0.436 0.000 0.995 714 Q CA 2.298 57.895 55.803 -0.344 0.000 0.877 714 Q CB -0.353 28.171 28.738 -0.356 0.000 0.920 714 Q HN 0.583 nan 8.270 nan 0.000 0.416 715 Q N -0.257 119.341 119.800 -0.338 0.000 2.061 715 Q HA -0.132 4.209 4.340 0.000 0.000 0.204 715 Q C 2.273 178.161 176.000 -0.186 0.000 0.984 715 Q CA 1.802 57.532 55.803 -0.123 0.000 0.846 715 Q CB -0.147 28.606 28.738 0.025 0.000 0.902 715 Q HN 0.345 nan 8.270 nan 0.000 0.421 716 S N 0.668 116.140 115.700 -0.380 0.000 2.414 716 S HA -0.006 4.464 4.470 0.000 0.000 0.227 716 S C 2.040 176.368 174.600 -0.452 0.000 1.022 716 S CA 0.709 58.690 58.200 -0.364 0.000 0.958 716 S CB -0.092 62.883 63.200 -0.375 0.000 0.797 716 S HN 0.468 nan 8.310 nan 0.000 0.493 717 A N 1.430 123.863 122.820 -0.645 0.000 1.933 717 A HA -0.134 4.186 4.320 0.000 0.000 0.218 717 A C 2.127 179.582 177.584 -0.215 0.000 1.175 717 A CA 1.155 52.940 52.037 -0.421 0.000 0.628 717 A CB -0.413 18.377 19.000 -0.350 0.000 0.814 717 A HN 0.352 nan 8.150 nan 0.000 0.444 718 Q N -0.455 119.232 119.800 -0.188 0.000 2.172 718 Q HA 0.007 4.347 4.340 0.000 0.000 0.200 718 Q C 2.111 178.055 176.000 -0.093 0.000 0.964 718 Q CA 0.949 56.706 55.803 -0.078 0.000 0.855 718 Q CB -0.315 28.454 28.738 0.052 0.000 0.918 718 Q HN 0.787 nan 8.270 nan 0.000 0.444 719 I N 1.080 121.565 120.570 -0.142 0.000 2.179 719 I HA -0.275 3.895 4.170 0.000 0.000 0.242 719 I C 2.504 178.447 176.117 -0.290 0.000 1.088 719 I CA 1.497 62.673 61.300 -0.207 0.000 1.357 719 I CB -0.449 37.425 38.000 -0.210 0.000 1.051 719 I HN 0.178 nan 8.210 nan 0.000 0.409 720 S N 0.850 116.395 115.700 -0.258 0.000 2.382 720 S HA -0.256 4.214 4.470 0.000 0.000 0.228 720 S C 2.023 176.592 174.600 -0.051 0.000 1.027 720 S CA 1.311 59.383 58.200 -0.213 0.000 0.991 720 S CB -0.424 62.826 63.200 0.083 0.000 0.823 720 S HN 0.366 nan 8.310 nan 0.000 0.469 721 K N 1.772 122.145 120.400 -0.045 0.000 2.057 721 K HA 0.014 4.334 4.320 0.000 0.000 0.207 721 K C 2.259 178.846 176.600 -0.021 0.000 1.049 721 K CA 1.217 57.498 56.287 -0.009 0.000 0.931 721 K CB -0.670 31.819 32.500 -0.017 0.000 0.714 721 K HN 0.453 nan 8.250 nan 0.000 0.440 722 A N 0.817 123.598 122.820 -0.066 0.000 1.969 722 A HA -0.069 4.251 4.320 0.000 0.000 0.218 722 A C 2.043 179.582 177.584 -0.074 0.000 1.169 722 A CA 1.104 53.102 52.037 -0.065 0.000 0.635 722 A CB -0.458 18.490 19.000 -0.087 0.000 0.810 722 A HN 0.314 nan 8.150 nan 0.000 0.445 723 L N -0.808 120.332 121.223 -0.138 0.000 2.109 723 L HA -0.109 4.232 4.340 0.000 0.000 0.207 723 L C 2.472 179.384 176.870 0.069 0.000 1.086 723 L CA 0.761 55.535 54.840 -0.110 0.000 0.760 723 L CB -0.485 41.369 42.059 -0.341 0.000 0.910 723 L HN 0.226 nan 8.230 nan 0.000 0.437 724 V N -0.203 119.778 119.914 0.112 0.000 2.358 724 V HA -0.271 3.849 4.120 0.000 0.000 0.246 724 V C 1.952 178.088 176.094 0.071 0.000 1.047 724 V CA 1.777 64.155 62.300 0.129 0.000 1.035 724 V CB -0.490 31.405 31.823 0.121 0.000 0.658 724 V HN 0.428 nan 8.190 nan 0.000 0.452 725 D N 0.317 120.742 120.400 0.042 0.000 2.309 725 D HA -0.093 4.547 4.640 0.000 0.000 0.212 725 D C 1.613 177.933 176.300 0.033 0.000 0.968 725 D CA 1.595 55.613 54.000 0.030 0.000 0.882 725 D CB 0.026 40.836 40.800 0.017 0.000 0.918 725 D HN 0.577 nan 8.370 nan 0.000 0.503 726 V N -3.998 115.940 119.914 0.039 0.000 3.214 726 V HA 0.528 4.649 4.120 0.000 0.000 0.330 726 V C 1.163 177.293 176.094 0.060 0.000 1.403 726 V CA 0.149 62.475 62.300 0.044 0.000 1.143 726 V CB 0.051 31.899 31.823 0.042 0.000 1.098 726 V HN 0.098 nan 8.190 nan 0.000 0.463 727 G N 0.511 109.352 108.800 0.068 0.000 2.273 727 G HA2 -0.198 3.762 3.960 0.000 0.000 0.280 727 G HA3 -0.198 3.762 3.960 0.000 0.000 0.280 727 G C 0.020 174.982 174.900 0.104 0.000 1.047 727 G CA 0.564 45.711 45.100 0.078 0.000 0.869 727 G HN 1.506 nan 8.290 nan 0.000 0.502 728 V N -0.246 119.752 119.914 0.139 0.000 2.427 728 V HA 0.658 4.778 4.120 0.000 0.000 0.286 728 V C 0.185 176.443 176.094 0.274 0.000 1.034 728 V CA -0.479 61.933 62.300 0.186 0.000 0.893 728 V CB 1.696 33.632 31.823 0.187 0.000 0.982 728 V HN 0.372 nan 8.190 nan 0.000 0.452 729 D N 5.409 125.947 120.400 0.230 0.000 2.264 729 D HA 0.599 5.239 4.640 0.000 0.000 0.249 729 D C -0.566 175.940 176.300 0.344 0.000 1.070 729 D CA 0.106 54.220 54.000 0.190 0.000 0.912 729 D CB 1.025 41.880 40.800 0.092 0.000 1.193 729 D HN 0.550 nan 8.370 nan 0.000 0.427 730 F N -0.363 119.657 119.950 0.117 0.000 2.779 730 F HA 0.498 5.025 4.527 0.000 0.000 0.316 730 F C -1.419 174.428 175.800 0.079 0.000 1.164 730 F CA -1.121 56.970 58.000 0.151 0.000 0.924 730 F CB 0.755 39.874 39.000 0.199 0.000 1.348 730 F HN 0.093 nan 8.300 nan 0.000 0.467 731 Q N 1.230 121.115 119.800 0.142 0.000 2.266 731 Q HA 0.823 5.163 4.340 0.000 0.000 0.261 731 Q C -0.859 175.145 176.000 0.005 0.000 0.985 731 Q CA -0.799 54.987 55.803 -0.029 0.000 0.873 731 Q CB 2.135 30.867 28.738 -0.009 0.000 1.306 731 Q HN 1.050 nan 8.270 nan 0.000 0.447 732 A N 1.600 124.385 122.820 -0.058 0.000 2.566 732 A HA 0.870 5.190 4.320 0.000 0.000 0.292 732 A C -1.379 176.140 177.584 -0.110 0.000 1.112 732 A CA -0.571 51.464 52.037 -0.003 0.000 0.707 732 A CB 1.994 21.071 19.000 0.129 0.000 1.302 732 A HN 0.616 nan 8.150 nan 0.000 0.409 733 M N 1.195 120.714 119.600 -0.135 0.000 2.298 733 M HA 0.525 5.005 4.480 0.000 0.000 0.255 733 M C -2.110 174.024 176.300 -0.277 0.000 1.021 733 M CA -0.375 54.694 55.300 -0.384 0.000 0.968 733 M CB 1.094 33.376 32.600 -0.530 0.000 2.037 733 M HN 0.983 nan 8.290 nan 0.000 0.478 734 W N 4.586 125.708 121.300 -0.297 0.000 2.570 734 W HA 0.773 5.434 4.660 0.000 0.000 0.337 734 W C -2.046 174.188 176.519 -0.474 0.000 1.067 734 W CA -0.972 56.268 57.345 -0.175 0.000 1.229 734 W CB 0.382 29.785 29.460 -0.094 0.000 1.355 734 W HN 0.617 nan 8.180 nan 0.000 0.555 735 Y N 2.792 123.183 120.300 0.152 0.000 2.402 735 Y HA 0.300 4.850 4.550 0.000 0.000 0.332 735 Y C 0.643 176.630 175.900 0.146 0.000 0.960 735 Y CA -0.906 57.209 58.100 0.026 0.000 1.228 735 Y CB 1.525 39.983 38.460 -0.004 0.000 1.120 735 Y HN 0.415 nan 8.280 nan 0.000 0.491 736 T N 4.628 119.321 114.554 0.231 0.000 2.871 736 T HA -0.042 4.308 4.350 0.000 0.000 0.296 736 T C 0.193 174.934 174.700 0.068 0.000 0.998 736 T CA 0.517 62.687 62.100 0.116 0.000 1.162 736 T CB -0.116 68.756 68.868 0.007 0.000 0.947 736 T HN 0.712 nan 8.240 nan 0.000 0.536 737 D N 0.998 121.412 120.400 0.022 0.000 3.077 737 D HA -0.126 4.515 4.640 0.000 0.000 0.217 737 D C 0.279 176.692 176.300 0.189 0.000 1.162 737 D CA 1.166 55.121 54.000 -0.076 0.000 0.943 737 D CB -0.349 40.191 40.800 -0.433 0.000 1.122 737 D HN 0.562 nan 8.370 nan 0.000 0.413 738 E N 0.713 121.046 120.200 0.222 0.000 2.277 738 E HA 0.368 4.718 4.350 0.000 0.000 0.274 738 E C 0.697 177.475 176.600 0.297 0.000 1.022 738 E CA -0.378 56.175 56.400 0.255 0.000 0.853 738 E CB 1.289 31.124 29.700 0.225 0.000 1.086 738 E HN 0.315 nan 8.360 nan 0.000 0.397 739 D N -0.698 119.891 120.400 0.314 0.000 2.511 739 D HA 0.006 4.646 4.640 0.000 0.000 0.283 739 D C 1.077 177.601 176.300 0.374 0.000 1.198 739 D CA -0.193 54.018 54.000 0.350 0.000 1.097 739 D CB -0.115 40.921 40.800 0.393 0.000 1.160 739 D HN 0.424 nan 8.370 nan 0.000 0.589 740 H N -1.643 117.602 119.070 0.292 0.000 2.456 740 H HA 0.092 4.648 4.556 0.000 0.000 0.296 740 H C 1.893 177.463 175.328 0.405 0.000 1.079 740 H CA 2.083 58.317 56.048 0.310 0.000 1.322 740 H CB -0.350 29.579 29.762 0.278 0.000 1.388 740 H HN 0.478 nan 8.280 nan 0.000 0.538 741 G N -0.281 108.700 108.800 0.301 0.000 2.777 741 G HA2 0.028 3.988 3.960 0.000 0.000 0.211 741 G HA3 0.028 3.988 3.960 0.000 0.000 0.211 741 G C 0.690 175.771 174.900 0.300 0.000 1.149 741 G CA 0.252 45.458 45.100 0.177 0.000 0.785 741 G HN 0.515 nan 8.290 nan 0.000 0.536 742 I N 0.228 120.986 120.570 0.313 0.000 3.957 742 I HA -0.335 3.835 4.170 0.000 0.000 0.126 742 I C 1.599 177.835 176.117 0.199 0.000 1.100 742 I CA 0.300 61.728 61.300 0.214 0.000 2.732 742 I CB -1.339 36.749 38.000 0.147 0.000 1.577 742 I HN 0.278 nan 8.210 nan 0.000 0.340 743 A N 0.657 123.570 122.820 0.155 0.000 2.337 743 A HA 0.230 4.551 4.320 0.000 0.000 0.227 743 A C 1.082 178.704 177.584 0.064 0.000 1.259 743 A CA 0.360 52.449 52.037 0.087 0.000 0.870 743 A CB 0.111 19.127 19.000 0.026 0.000 0.927 743 A HN 0.467 nan 8.150 nan 0.000 0.497 744 S N -0.404 115.351 115.700 0.090 0.000 2.562 744 S HA 0.175 4.645 4.470 0.000 0.000 0.281 744 S C 1.679 176.327 174.600 0.081 0.000 1.333 744 S CA 0.419 58.666 58.200 0.078 0.000 1.052 744 S CB 0.784 64.033 63.200 0.082 0.000 0.884 744 S HN 0.597 nan 8.310 nan 0.000 0.506 745 S N 3.042 118.775 115.700 0.055 0.000 2.368 745 S HA -0.180 4.290 4.470 0.000 0.000 0.226 745 S C 2.045 176.702 174.600 0.095 0.000 1.044 745 S CA 2.598 60.833 58.200 0.059 0.000 1.062 745 S CB -1.057 62.160 63.200 0.028 0.000 0.931 745 S HN 0.983 nan 8.310 nan 0.000 0.440 746 T N -0.177 114.421 114.554 0.073 0.000 2.812 746 T HA 0.221 4.571 4.350 0.000 0.000 0.264 746 T C 2.033 176.783 174.700 0.084 0.000 1.042 746 T CA 1.229 63.375 62.100 0.076 0.000 1.140 746 T CB -0.975 67.928 68.868 0.059 0.000 0.870 746 T HN 0.476 nan 8.240 nan 0.000 0.445 747 A N 1.568 124.410 122.820 0.038 0.000 1.933 747 A HA -0.116 4.204 4.320 0.000 0.000 0.218 747 A C 2.195 179.711 177.584 -0.113 0.000 1.175 747 A CA 2.080 54.054 52.037 -0.105 0.000 0.628 747 A CB -1.217 17.674 19.000 -0.181 0.000 0.814 747 A HN 0.760 nan 8.150 nan 0.000 0.444 748 H N -0.129 118.915 119.070 -0.043 0.000 2.293 748 H HA -0.139 4.417 4.556 0.000 0.000 0.300 748 H C 2.110 177.512 175.328 0.124 0.000 1.082 748 H CA 2.359 58.445 56.048 0.064 0.000 1.308 748 H CB -0.250 29.557 29.762 0.076 0.000 1.375 748 H HN 0.578 nan 8.280 nan 0.000 0.495 749 Q N -0.971 118.823 119.800 -0.011 0.000 2.084 749 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 749 Q C 2.237 178.215 176.000 -0.036 0.000 0.978 749 Q CA 1.341 57.103 55.803 -0.068 0.000 0.844 749 Q CB -0.211 28.532 28.738 0.007 0.000 0.898 749 Q HN 0.633 nan 8.270 nan 0.000 0.426 750 H N 0.810 119.849 119.070 -0.053 0.000 2.357 750 H HA -0.066 4.490 4.556 0.000 0.000 0.301 750 H C 1.977 177.299 175.328 -0.010 0.000 1.082 750 H CA 1.249 57.298 56.048 0.001 0.000 1.342 750 H CB -0.006 29.797 29.762 0.068 0.000 1.389 750 H HN 0.281 nan 8.280 nan 0.000 0.511 751 I N -0.013 120.535 120.570 -0.038 0.000 2.252 751 I HA -0.306 3.865 4.170 0.000 0.000 0.245 751 I C 1.768 177.656 176.117 -0.383 0.000 1.102 751 I CA 1.130 62.325 61.300 -0.175 0.000 1.385 751 I CB -0.265 37.450 38.000 -0.475 0.000 1.064 751 I HN 0.119 nan 8.210 nan 0.000 0.414 752 Y N 1.048 121.144 120.300 -0.340 0.000 2.242 752 Y HA -0.199 4.351 4.550 0.000 0.000 0.291 752 Y C 2.744 178.441 175.900 -0.338 0.000 1.137 752 Y CA 1.882 59.669 58.100 -0.522 0.000 1.181 752 Y CB -0.881 37.280 38.460 -0.499 0.000 0.989 752 Y HN 0.137 nan 8.280 nan 0.000 0.527 753 T N -1.580 112.902 114.554 -0.119 0.000 2.746 753 T HA -0.247 4.103 4.350 0.000 0.000 0.267 753 T C 1.572 176.179 174.700 -0.156 0.000 1.039 753 T CA 1.928 63.931 62.100 -0.161 0.000 1.142 753 T CB -0.451 68.327 68.868 -0.151 0.000 0.866 753 T HN 0.412 nan 8.240 nan 0.000 0.444 754 H N 0.803 119.760 119.070 -0.188 0.000 2.353 754 H HA 0.109 4.666 4.556 0.000 0.000 0.300 754 H C 2.096 177.407 175.328 -0.027 0.000 1.090 754 H CA 1.492 57.499 56.048 -0.068 0.000 1.327 754 H CB -0.227 29.484 29.762 -0.085 0.000 1.383 754 H HN 0.295 nan 8.280 nan 0.000 0.508 755 M N -1.038 118.496 119.600 -0.109 0.000 2.319 755 M HA -0.108 4.372 4.480 0.000 0.000 0.265 755 M C 2.340 178.745 176.300 0.174 0.000 1.068 755 M CA 1.142 56.384 55.300 -0.096 0.000 1.118 755 M CB 0.174 32.477 32.600 -0.495 0.000 1.395 755 M HN 0.152 nan 8.290 nan 0.000 0.435 756 S N -0.519 115.291 115.700 0.183 0.000 2.356 756 S HA -0.135 4.336 4.470 0.000 0.000 0.223 756 S C 1.740 176.401 174.600 0.103 0.000 1.032 756 S CA 0.980 59.358 58.200 0.296 0.000 1.005 756 S CB -0.531 62.814 63.200 0.242 0.000 0.867 756 S HN 0.472 nan 8.310 nan 0.000 0.449 757 H N -0.073 119.051 119.070 0.090 0.000 2.352 757 H HA -0.049 4.507 4.556 0.000 0.000 0.299 757 H C 1.996 177.328 175.328 0.006 0.000 1.097 757 H CA 1.327 57.386 56.048 0.019 0.000 1.311 757 H CB -0.738 28.989 29.762 -0.058 0.000 1.377 757 H HN 0.418 nan 8.280 nan 0.000 0.504 758 F N 1.286 121.215 119.950 -0.036 0.000 2.102 758 F HA -0.188 4.339 4.527 0.000 0.000 0.298 758 F C 2.343 178.088 175.800 -0.091 0.000 1.105 758 F CA 0.914 58.864 58.000 -0.083 0.000 1.239 758 F CB -0.334 38.593 39.000 -0.121 0.000 0.991 758 F HN -0.041 nan 8.300 nan 0.000 0.474 759 I N 1.384 121.931 120.570 -0.037 0.000 2.202 759 I HA -0.272 3.898 4.170 0.000 0.000 0.242 759 I C 2.237 178.118 176.117 -0.394 0.000 1.091 759 I CA 1.697 62.802 61.300 -0.325 0.000 1.368 759 I CB -1.392 36.508 38.000 -0.167 0.000 1.058 759 I HN 0.292 nan 8.210 nan 0.000 0.410 760 K N 0.544 120.882 120.400 -0.104 0.000 2.439 760 K HA -0.157 4.163 4.320 0.000 0.000 0.197 760 K C 1.863 178.459 176.600 -0.006 0.000 1.041 760 K CA 0.614 56.907 56.287 0.010 0.000 0.970 760 K CB -0.205 32.348 32.500 0.088 0.000 0.773 760 K HN 0.328 nan 8.250 nan 0.000 0.479 761 Q N 1.790 121.536 119.800 -0.091 0.000 2.123 761 Q HA -0.121 4.220 4.340 0.000 0.000 0.196 761 Q C 2.079 177.989 176.000 -0.151 0.000 0.958 761 Q CA 1.563 57.308 55.803 -0.096 0.000 0.841 761 Q CB -0.448 28.222 28.738 -0.114 0.000 0.915 761 Q HN 0.424 nan 8.270 nan 0.000 0.455 762 c N 0.314 118.716 118.600 -0.329 0.000 2.432 762 c HA 0.017 4.587 4.570 0.000 0.000 0.280 762 c C 1.941 176.037 174.090 0.009 0.000 1.353 762 c CA 0.245 56.390 56.329 -0.307 0.000 1.766 762 c CB -1.243 40.910 42.510 -0.596 0.000 1.924 762 c HN 0.477 nan 8.230 nan 0.000 0.509 763 F N 1.572 121.483 119.950 -0.066 0.000 2.727 763 F HA 0.266 4.793 4.527 0.000 0.000 0.302 763 F C 1.599 177.383 175.800 -0.026 0.000 1.097 763 F CA 0.279 58.261 58.000 -0.031 0.000 1.330 763 F CB -1.056 37.933 39.000 -0.017 0.000 1.084 763 F HN 0.212 nan 8.300 nan 0.000 0.578 764 S N 0.537 116.322 115.700 0.142 0.000 3.706 764 S HA -0.185 4.285 4.470 0.000 0.000 0.363 764 S C 0.955 175.600 174.600 0.075 0.000 0.999 764 S CA 0.012 58.258 58.200 0.077 0.000 1.143 764 S CB -2.015 61.219 63.200 0.056 0.000 0.902 764 S HN 0.141 nan 8.310 nan 0.000 0.476 765 L N 1.805 123.084 121.223 0.093 0.000 1.851 765 L HA 0.278 4.618 4.340 0.000 0.000 0.228 765 L C 0.012 176.915 176.870 0.055 0.000 1.095 765 L CA 1.397 56.283 54.840 0.078 0.000 1.147 765 L CB -1.424 40.693 42.059 0.096 0.000 1.019 765 L HN 0.419 nan 8.230 nan 0.000 0.580 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.148 63.100 0.080 0.000 0.800 766 P CB 0.000 31.748 31.700 0.080 0.000 0.726