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 2iit_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.131 62.100 0.051 0.000 1.349 39 T CB 0.000 68.896 68.868 0.047 0.000 0.612 40 R N 2.179 122.726 120.500 0.078 0.000 2.643 40 R HA 0.340 4.677 4.340 -0.004 0.000 0.270 40 R C 0.966 177.320 176.300 0.090 0.000 1.061 40 R CA -0.718 55.430 56.100 0.081 0.000 1.107 40 R CB 0.775 31.122 30.300 0.079 0.000 0.999 40 R HN 0.622 nan 8.270 nan 0.000 0.460 41 K N 0.432 120.888 120.400 0.094 0.000 2.230 41 K HA 0.096 4.414 4.320 -0.004 0.000 0.253 41 K C -0.004 176.664 176.600 0.114 0.000 1.008 41 K CA -0.391 55.959 56.287 0.105 0.000 0.910 41 K CB 0.489 33.061 32.500 0.119 0.000 0.994 41 K HN 0.646 nan 8.250 nan 0.000 0.495 42 T N -2.081 112.549 114.554 0.127 0.000 2.923 42 T HA 0.158 4.505 4.350 -0.004 0.000 0.281 42 T C -0.712 174.109 174.700 0.203 0.000 0.995 42 T CA -0.799 61.387 62.100 0.145 0.000 0.985 42 T CB 0.510 69.460 68.868 0.137 0.000 1.114 42 T HN 0.541 nan 8.240 nan 0.000 0.548 43 Y N 2.484 122.848 120.300 0.107 0.000 2.504 43 Y HA 0.383 4.931 4.550 -0.004 0.000 0.351 43 Y C 0.936 176.997 175.900 0.267 0.000 0.988 43 Y CA -0.397 57.804 58.100 0.169 0.000 1.239 43 Y CB -0.259 38.257 38.460 0.093 0.000 1.128 43 Y HN 1.010 nan 8.280 nan 0.000 0.525 44 T N 2.117 116.653 114.554 -0.030 0.000 2.862 44 T HA 0.142 4.490 4.350 -0.004 0.000 0.276 44 T C 0.989 175.555 174.700 -0.223 0.000 0.974 44 T CA -0.661 61.472 62.100 0.055 0.000 0.966 44 T CB 1.192 70.060 68.868 0.001 0.000 1.072 44 T HN 0.683 nan 8.240 nan 0.000 0.538 45 L N 0.924 121.802 121.223 -0.574 0.000 2.017 45 L HA 0.018 4.356 4.340 -0.004 0.000 0.208 45 L C 2.668 179.371 176.870 -0.278 0.000 1.073 45 L CA 2.203 56.594 54.840 -0.748 0.000 0.745 45 L CB -1.430 40.056 42.059 -0.955 0.000 0.894 45 L HN 0.961 nan 8.230 nan 0.000 0.432 46 T N -0.519 113.901 114.554 -0.223 0.000 2.720 46 T HA -0.190 4.157 4.350 -0.004 0.000 0.268 46 T C 1.522 176.127 174.700 -0.158 0.000 1.037 46 T CA 1.518 63.527 62.100 -0.152 0.000 1.144 46 T CB -0.472 68.328 68.868 -0.113 0.000 0.864 46 T HN 0.405 nan 8.240 nan 0.000 0.444 47 D N 0.119 120.389 120.400 -0.217 0.000 2.116 47 D HA -0.110 4.527 4.640 -0.004 0.000 0.193 47 D C 1.767 177.976 176.300 -0.152 0.000 0.998 47 D CA 1.151 54.992 54.000 -0.264 0.000 0.836 47 D CB -0.434 40.102 40.800 -0.440 0.000 0.951 47 D HN 0.439 nan 8.370 nan 0.000 0.449 48 Y N 1.478 121.614 120.300 -0.274 0.000 2.145 48 Y HA -0.111 4.436 4.550 -0.004 0.000 0.286 48 Y C 2.188 178.106 175.900 0.030 0.000 1.145 48 Y CA 1.252 59.367 58.100 0.026 0.000 1.148 48 Y CB -0.564 37.972 38.460 0.126 0.000 0.981 48 Y HN -0.083 nan 8.280 nan 0.000 0.507 49 L N -0.106 120.965 121.223 -0.253 0.000 2.217 49 L HA -0.134 4.204 4.340 -0.004 0.000 0.211 49 L C 1.901 178.678 176.870 -0.156 0.000 1.107 49 L CA 1.128 55.800 54.840 -0.279 0.000 0.783 49 L CB -0.433 41.523 42.059 -0.172 0.000 0.919 49 L HN 0.075 nan 8.230 nan 0.000 0.442 50 K N -0.339 119.987 120.400 -0.124 0.000 2.367 50 K HA 0.125 4.443 4.320 -0.004 0.000 0.194 50 K C 0.083 176.634 176.600 -0.081 0.000 1.027 50 K CA -0.043 56.187 56.287 -0.094 0.000 1.075 50 K CB 0.077 32.520 32.500 -0.095 0.000 0.845 50 K HN 0.221 nan 8.250 nan 0.000 0.529 51 N N 1.635 120.297 118.700 -0.064 0.000 2.727 51 N HA -0.157 4.581 4.740 -0.004 0.000 0.251 51 N C 0.861 176.345 175.510 -0.043 0.000 1.040 51 N CA 1.141 54.188 53.050 -0.006 0.000 0.712 51 N CB -1.701 36.779 38.487 -0.012 0.000 0.912 51 N HN 0.450 nan 8.380 nan 0.000 0.545 52 T N -3.840 110.633 114.554 -0.135 0.000 2.812 52 T HA -0.136 4.212 4.350 -0.004 0.000 0.264 52 T C 0.726 175.225 174.700 -0.335 0.000 1.042 52 T CA 0.964 62.878 62.100 -0.310 0.000 1.140 52 T CB -0.162 68.380 68.868 -0.542 0.000 0.870 52 T HN 0.301 nan 8.240 nan 0.000 0.445 53 Y N 2.388 122.768 120.300 0.132 0.000 2.676 53 Y HA 0.548 5.096 4.550 -0.004 0.000 0.338 53 Y C 0.671 176.670 175.900 0.165 0.000 1.057 53 Y CA -1.502 56.701 58.100 0.171 0.000 1.314 53 Y CB 0.084 38.705 38.460 0.268 0.000 1.164 53 Y HN 0.096 nan 8.280 nan 0.000 0.509 54 R N 2.358 122.982 120.500 0.206 0.000 2.340 54 R HA 0.366 4.704 4.340 -0.004 0.000 0.300 54 R C -1.032 175.374 176.300 0.177 0.000 1.069 54 R CA -0.763 55.433 56.100 0.160 0.000 0.984 54 R CB 0.480 30.834 30.300 0.090 0.000 1.003 54 R HN 0.525 nan 8.270 nan 0.000 0.459 55 L N 4.414 125.742 121.223 0.176 0.000 2.265 55 L HA 0.290 4.628 4.340 -0.004 0.000 0.288 55 L C -0.425 176.530 176.870 0.143 0.000 1.058 55 L CA 0.321 55.269 54.840 0.181 0.000 0.809 55 L CB 0.955 43.138 42.059 0.207 0.000 1.179 55 L HN 0.523 nan 8.230 nan 0.000 0.429 56 K N 4.238 124.721 120.400 0.138 0.000 2.118 56 K HA 0.657 4.975 4.320 -0.004 0.000 0.267 56 K C -0.816 175.856 176.600 0.120 0.000 0.991 56 K CA -0.593 55.758 56.287 0.106 0.000 0.916 56 K CB 1.169 33.726 32.500 0.096 0.000 1.041 56 K HN 0.482 nan 8.250 nan 0.000 0.455 57 L N -0.503 120.714 121.223 -0.009 0.000 2.170 57 L HA 0.600 4.937 4.340 -0.004 0.000 0.247 57 L C -1.211 175.385 176.870 -0.457 0.000 1.078 57 L CA -0.910 53.766 54.840 -0.273 0.000 0.936 57 L CB 0.367 42.389 42.059 -0.061 0.000 1.528 57 L HN 0.527 nan 8.230 nan 0.000 0.455 58 Y N -0.095 119.630 120.300 -0.959 0.000 2.541 58 Y HA 0.621 5.169 4.550 -0.004 0.000 0.350 58 Y C -0.951 174.726 175.900 -0.372 0.000 1.075 58 Y CA -0.434 57.301 58.100 -0.609 0.000 1.302 58 Y CB 1.269 39.228 38.460 -0.836 0.000 1.094 58 Y HN 0.635 nan 8.280 nan 0.000 0.579 59 S N 6.257 121.875 115.700 -0.136 0.000 2.416 59 S HA 0.551 5.019 4.470 -0.004 0.000 0.287 59 S C -0.650 173.928 174.600 -0.037 0.000 1.139 59 S CA -0.524 57.646 58.200 -0.051 0.000 1.058 59 S CB -0.124 63.064 63.200 -0.020 0.000 0.967 59 S HN 0.557 nan 8.310 nan 0.000 0.495 60 L N 1.567 122.721 121.223 -0.117 0.000 2.303 60 L HA 0.794 5.132 4.340 -0.004 0.000 0.266 60 L C -0.337 176.426 176.870 -0.179 0.000 1.011 60 L CA -0.947 53.777 54.840 -0.193 0.000 0.818 60 L CB 0.947 42.594 42.059 -0.686 0.000 1.326 60 L HN 0.345 nan 8.230 nan 0.000 0.435 61 R N 0.840 121.278 120.500 -0.104 0.000 2.473 61 R HA 0.364 4.702 4.340 -0.004 0.000 0.303 61 R C -1.765 174.549 176.300 0.024 0.000 1.002 61 R CA -0.298 55.790 56.100 -0.020 0.000 0.884 61 R CB 1.178 31.511 30.300 0.054 0.000 1.173 61 R HN 0.679 nan 8.270 nan 0.000 0.464 62 W N 4.571 125.959 121.300 0.147 0.000 2.308 62 W HA 0.109 4.767 4.660 -0.004 0.000 0.324 62 W C 1.589 178.173 176.519 0.108 0.000 1.387 62 W CA -0.396 57.044 57.345 0.159 0.000 1.250 62 W CB 0.436 29.987 29.460 0.151 0.000 1.257 62 W HN 0.655 nan 8.180 nan 0.000 0.554 63 I N 0.462 121.220 120.570 0.314 0.000 4.057 63 I HA 0.298 4.465 4.170 -0.004 0.000 0.334 63 I C 0.655 176.854 176.117 0.136 0.000 1.308 63 I CA -0.011 61.386 61.300 0.161 0.000 1.125 63 I CB -0.090 37.939 38.000 0.048 0.000 1.034 63 I HN 0.276 nan 8.210 nan 0.000 0.401 64 S N -0.554 115.254 115.700 0.179 0.000 2.755 64 S HA 0.247 4.714 4.470 -0.004 0.000 0.286 64 S C -0.149 174.497 174.600 0.076 0.000 1.207 64 S CA -0.206 58.030 58.200 0.059 0.000 0.892 64 S CB 1.143 64.281 63.200 -0.102 0.000 1.240 64 S HN 0.056 nan 8.310 nan 0.000 0.525 65 D N 0.266 120.663 120.400 -0.004 0.000 2.363 65 D HA 0.126 4.763 4.640 -0.004 0.000 0.226 65 D C 1.006 177.482 176.300 0.294 0.000 1.020 65 D CA 1.254 55.316 54.000 0.103 0.000 0.892 65 D CB -0.086 40.820 40.800 0.177 0.000 0.900 65 D HN 0.672 nan 8.370 nan 0.000 0.531 66 H N -2.781 116.487 119.070 0.331 0.000 3.538 66 H HA 0.352 4.906 4.556 -0.004 0.000 0.264 66 H C -0.447 175.059 175.328 0.296 0.000 1.146 66 H CA -0.368 55.885 56.048 0.342 0.000 1.097 66 H CB -0.070 29.886 29.762 0.323 0.000 2.087 66 H HN 0.013 nan 8.280 nan 0.000 0.797 67 E N 1.277 121.626 120.200 0.248 0.000 2.288 67 E HA 0.421 4.769 4.350 -0.004 0.000 0.268 67 E C -1.527 175.249 176.600 0.293 0.000 0.885 67 E CA -1.147 55.363 56.400 0.184 0.000 0.767 67 E CB 3.086 32.817 29.700 0.052 0.000 1.220 67 E HN 0.304 nan 8.360 nan 0.000 0.427 68 Y N -0.526 119.795 120.300 0.034 0.000 2.588 68 Y HA 0.616 5.163 4.550 -0.004 0.000 0.343 68 Y C -1.644 174.239 175.900 -0.029 0.000 1.065 68 Y CA -1.296 56.719 58.100 -0.142 0.000 1.038 68 Y CB 0.817 38.865 38.460 -0.685 0.000 1.297 68 Y HN 0.319 nan 8.280 nan 0.000 0.467 69 L N 3.093 124.432 121.223 0.192 0.000 2.334 69 L HA 0.532 4.870 4.340 -0.004 0.000 0.275 69 L C -1.261 175.822 176.870 0.354 0.000 1.036 69 L CA -0.996 53.939 54.840 0.158 0.000 0.807 69 L CB 1.527 43.596 42.059 0.017 0.000 1.231 69 L HN 0.766 nan 8.230 nan 0.000 0.438 70 Y N 2.139 122.538 120.300 0.165 0.000 2.479 70 Y HA 0.358 4.906 4.550 -0.004 0.000 0.338 70 Y C -1.054 174.866 175.900 0.033 0.000 1.055 70 Y CA -1.358 56.776 58.100 0.057 0.000 1.023 70 Y CB 1.702 40.182 38.460 0.034 0.000 1.287 70 Y HN 0.400 nan 8.280 nan 0.000 0.447 71 K N 5.080 125.101 120.400 -0.631 0.000 2.253 71 K HA 0.256 4.574 4.320 -0.004 0.000 0.277 71 K C -1.050 175.074 176.600 -0.792 0.000 1.053 71 K CA -0.587 55.386 56.287 -0.523 0.000 0.892 71 K CB 1.380 33.706 32.500 -0.291 0.000 1.102 71 K HN 0.722 nan 8.250 nan 0.000 0.469 72 Q N 3.486 123.034 119.800 -0.421 0.000 2.303 72 Q HA 0.055 4.393 4.340 -0.004 0.000 0.267 72 Q C -1.052 174.865 176.000 -0.139 0.000 1.011 72 Q CA -0.261 55.382 55.803 -0.267 0.000 0.740 72 Q CB 0.880 29.575 28.738 -0.071 0.000 1.250 72 Q HN 0.522 nan 8.270 nan 0.000 0.458 73 E N 3.144 123.271 120.200 -0.122 0.000 2.298 73 E HA -0.289 4.058 4.350 -0.004 0.000 0.235 73 E C -0.540 176.008 176.600 -0.087 0.000 1.167 73 E CA 1.088 57.440 56.400 -0.081 0.000 0.708 73 E CB -2.087 27.581 29.700 -0.053 0.000 1.236 73 E HN 1.131 nan 8.360 nan 0.000 0.386 74 N N -0.898 117.741 118.700 -0.103 0.000 2.765 74 N HA -0.214 4.523 4.740 -0.004 0.000 0.248 74 N C -0.358 175.088 175.510 -0.106 0.000 1.063 74 N CA 0.985 53.979 53.050 -0.094 0.000 0.862 74 N CB -0.450 37.996 38.487 -0.068 0.000 1.145 74 N HN 0.351 nan 8.380 nan 0.000 0.581 75 N N 0.917 119.548 118.700 -0.115 0.000 2.399 75 N HA 0.391 5.128 4.740 -0.004 0.000 0.295 75 N C -0.417 175.022 175.510 -0.119 0.000 1.048 75 N CA -0.257 52.729 53.050 -0.108 0.000 0.886 75 N CB 1.349 39.786 38.487 -0.083 0.000 1.185 75 N HN 0.105 nan 8.380 nan 0.000 0.487 76 I N 3.180 123.685 120.570 -0.109 0.000 2.297 76 I HA 0.233 4.401 4.170 -0.004 0.000 0.291 76 I C -0.013 176.112 176.117 0.013 0.000 1.033 76 I CA -0.325 60.919 61.300 -0.094 0.000 1.253 76 I CB 0.488 38.385 38.000 -0.172 0.000 1.396 76 I HN 0.206 nan 8.210 nan 0.000 0.476 77 L N 6.842 128.088 121.223 0.039 0.000 2.331 77 L HA 0.583 4.921 4.340 -0.004 0.000 0.275 77 L C -0.229 176.676 176.870 0.057 0.000 1.022 77 L CA -0.921 53.941 54.840 0.036 0.000 0.812 77 L CB 2.166 44.231 42.059 0.011 0.000 1.257 77 L HN 0.290 nan 8.230 nan 0.000 0.435 78 V N 2.412 122.304 119.914 -0.036 0.000 2.483 78 V HA 0.516 4.633 4.120 -0.004 0.000 0.295 78 V C -1.008 174.929 176.094 -0.262 0.000 1.035 78 V CA -0.200 62.068 62.300 -0.053 0.000 0.896 78 V CB 1.467 33.347 31.823 0.096 0.000 0.986 78 V HN 0.472 nan 8.190 nan 0.000 0.447 79 F N 5.084 124.788 119.950 -0.409 0.000 2.508 79 F HA 0.489 5.014 4.527 -0.004 0.000 0.325 79 F C 0.371 175.929 175.800 -0.404 0.000 1.090 79 F CA -0.584 57.099 58.000 -0.528 0.000 0.945 79 F CB 1.839 40.159 39.000 -1.133 0.000 1.156 79 F HN 0.508 nan 8.300 nan 0.000 0.463 80 N N 2.326 121.014 118.700 -0.021 0.000 2.462 80 N HA 0.231 4.969 4.740 -0.004 0.000 0.242 80 N C 0.569 176.066 175.510 -0.021 0.000 1.010 80 N CA 0.149 53.224 53.050 0.041 0.000 0.939 80 N CB 1.701 40.263 38.487 0.123 0.000 1.127 80 N HN 0.835 nan 8.380 nan 0.000 0.509 81 A N 3.952 126.722 122.820 -0.084 0.000 1.917 81 A HA -0.212 4.106 4.320 -0.004 0.000 0.219 81 A C 1.891 179.231 177.584 -0.407 0.000 1.182 81 A CA 1.675 53.575 52.037 -0.229 0.000 0.633 81 A CB -0.496 18.213 19.000 -0.485 0.000 0.819 81 A HN 0.863 nan 8.150 nan 0.000 0.448 82 E N -1.875 118.015 120.200 -0.517 0.000 2.106 82 E HA -0.177 4.171 4.350 -0.004 0.000 0.192 82 E C 1.148 177.356 176.600 -0.654 0.000 0.984 82 E CA 1.399 57.456 56.400 -0.571 0.000 0.806 82 E CB -0.105 29.156 29.700 -0.732 0.000 0.750 82 E HN 0.839 nan 8.360 nan 0.000 0.458 83 Y N -2.109 118.193 120.300 0.003 0.000 2.453 83 Y HA 0.321 4.868 4.550 -0.004 0.000 0.247 83 Y C 1.431 177.348 175.900 0.028 0.000 1.124 83 Y CA -0.042 58.067 58.100 0.014 0.000 1.243 83 Y CB 1.434 39.901 38.460 0.011 0.000 1.213 83 Y HN 0.162 nan 8.280 nan 0.000 0.523 84 G N 1.404 110.283 108.800 0.131 0.000 2.189 84 G HA2 -0.351 3.606 3.960 -0.004 0.000 0.267 84 G HA3 -0.351 3.606 3.960 -0.004 0.000 0.267 84 G C 0.045 175.087 174.900 0.236 0.000 0.975 84 G CA 0.391 45.606 45.100 0.191 0.000 0.644 84 G HN 0.489 nan 8.290 nan 0.000 0.537 85 N N 0.526 119.313 118.700 0.146 0.000 2.525 85 N HA 0.546 5.284 4.740 -0.004 0.000 0.271 85 N C 0.223 175.649 175.510 -0.141 0.000 1.194 85 N CA 0.662 53.728 53.050 0.026 0.000 0.964 85 N CB 1.634 40.140 38.487 0.032 0.000 1.126 85 N HN 0.848 nan 8.380 nan 0.000 0.452 86 S N 0.560 116.060 115.700 -0.333 0.000 2.911 86 S HA 0.822 5.290 4.470 -0.004 0.000 0.319 86 S C -0.704 173.694 174.600 -0.336 0.000 1.154 86 S CA -0.703 57.145 58.200 -0.587 0.000 0.857 86 S CB 1.452 63.769 63.200 -1.472 0.000 1.279 86 S HN 0.690 nan 8.310 nan 0.000 0.593 87 S N -0.860 114.648 115.700 -0.320 0.000 2.611 87 S HA 0.513 4.981 4.470 -0.004 0.000 0.268 87 S C -1.495 173.029 174.600 -0.126 0.000 1.156 87 S CA -0.728 57.370 58.200 -0.171 0.000 0.817 87 S CB 1.293 64.431 63.200 -0.103 0.000 1.122 87 S HN 0.779 nan 8.310 nan 0.000 0.466 88 V N 2.462 122.325 119.914 -0.084 0.000 2.432 88 V HA 0.290 4.408 4.120 -0.004 0.000 0.271 88 V C 0.250 176.339 176.094 -0.009 0.000 1.046 88 V CA 0.163 62.433 62.300 -0.050 0.000 0.945 88 V CB 0.558 32.337 31.823 -0.073 0.000 0.992 88 V HN 0.914 nan 8.190 nan 0.000 0.471 89 F N 5.175 125.063 119.950 -0.105 0.000 2.374 89 F HA 0.419 4.944 4.527 -0.004 0.000 0.291 89 F C 0.442 176.187 175.800 -0.093 0.000 1.084 89 F CA 0.575 58.526 58.000 -0.082 0.000 1.413 89 F CB 0.634 39.598 39.000 -0.060 0.000 1.099 89 F HN 0.356 nan 8.300 nan 0.000 0.534 90 L N 1.167 122.428 121.223 0.062 0.000 2.611 90 L HA 0.274 4.612 4.340 -0.004 0.000 0.263 90 L C -0.808 175.988 176.870 -0.124 0.000 0.969 90 L CA -0.530 54.270 54.840 -0.067 0.000 0.894 90 L CB 0.946 43.008 42.059 0.005 0.000 1.229 90 L HN -0.090 nan 8.230 nan 0.000 0.416 91 E N 1.402 121.503 120.200 -0.165 0.000 2.442 91 E HA -0.027 4.320 4.350 -0.004 0.000 0.262 91 E C 1.171 177.661 176.600 -0.185 0.000 1.004 91 E CA 0.765 57.071 56.400 -0.158 0.000 0.928 91 E CB 0.791 30.396 29.700 -0.160 0.000 0.937 91 E HN 0.638 nan 8.360 nan 0.000 0.446 92 N N 1.263 119.881 118.700 -0.138 0.000 2.205 92 N HA -0.246 4.492 4.740 -0.004 0.000 0.186 92 N C 1.151 176.579 175.510 -0.137 0.000 1.015 92 N CA 1.604 54.581 53.050 -0.121 0.000 0.862 92 N CB -0.385 38.049 38.487 -0.087 0.000 0.986 92 N HN 0.332 nan 8.380 nan 0.000 0.429 93 S N -2.213 113.399 115.700 -0.148 0.000 2.607 93 S HA 0.030 4.497 4.470 -0.004 0.000 0.224 93 S C 1.339 175.799 174.600 -0.232 0.000 0.969 93 S CA 0.421 58.534 58.200 -0.145 0.000 0.927 93 S CB -0.878 62.253 63.200 -0.115 0.000 0.772 93 S HN 0.319 nan 8.310 nan 0.000 0.533 94 T N 1.438 115.758 114.554 -0.391 0.000 2.821 94 T HA 0.087 4.435 4.350 -0.004 0.000 0.267 94 T C 0.187 174.333 174.700 -0.923 0.000 1.046 94 T CA 1.076 62.734 62.100 -0.737 0.000 1.139 94 T CB -0.346 67.858 68.868 -1.106 0.000 0.871 94 T HN 0.585 nan 8.240 nan 0.000 0.454 95 F N 0.781 120.621 119.950 -0.182 0.000 2.791 95 F HA 0.380 4.905 4.527 -0.004 0.000 0.308 95 F C 0.984 176.766 175.800 -0.031 0.000 1.138 95 F CA -1.395 56.519 58.000 -0.143 0.000 1.294 95 F CB -0.076 38.738 39.000 -0.311 0.000 0.975 95 F HN -0.065 nan 8.300 nan 0.000 0.512 96 D N 0.606 121.033 120.400 0.044 0.000 2.104 96 D HA -0.190 4.448 4.640 -0.004 0.000 0.194 96 D C 1.454 177.798 176.300 0.074 0.000 0.994 96 D CA 1.512 55.536 54.000 0.040 0.000 0.830 96 D CB 0.095 40.888 40.800 -0.012 0.000 0.959 96 D HN 0.121 nan 8.370 nan 0.000 0.452 97 E N -0.887 119.361 120.200 0.080 0.000 2.338 97 E HA 0.114 4.462 4.350 -0.004 0.000 0.231 97 E C 0.245 176.919 176.600 0.123 0.000 1.231 97 E CA -0.267 56.172 56.400 0.065 0.000 1.490 97 E CB -0.620 29.098 29.700 0.031 0.000 1.360 97 E HN 0.111 nan 8.360 nan 0.000 0.435 98 F N -0.148 119.801 119.950 -0.002 0.000 2.569 98 F HA 0.225 4.749 4.527 -0.004 0.000 0.295 98 F C 1.764 177.479 175.800 -0.141 0.000 1.115 98 F CA 1.205 59.190 58.000 -0.025 0.000 1.450 98 F CB 0.360 39.352 39.000 -0.014 0.000 1.107 98 F HN 0.266 nan 8.300 nan 0.000 0.563 99 G N 0.107 108.799 108.800 -0.181 0.000 2.148 99 G HA2 -0.252 3.705 3.960 -0.004 0.000 0.254 99 G HA3 -0.252 3.705 3.960 -0.004 0.000 0.254 99 G C -0.050 174.467 174.900 -0.638 0.000 0.981 99 G CA 0.494 45.345 45.100 -0.415 0.000 0.670 99 G HN 0.535 nan 8.290 nan 0.000 0.528 100 H N -0.850 118.169 119.070 -0.085 0.000 3.046 100 H HA 0.533 5.087 4.556 -0.003 0.000 0.363 100 H C -0.621 174.798 175.328 0.151 0.000 1.203 100 H CA -0.102 55.940 56.048 -0.009 0.000 1.169 100 H CB 1.491 31.083 29.762 -0.282 0.000 1.851 100 H HN 0.193 nan 8.280 nan 0.000 0.546 101 S N 2.617 118.467 115.700 0.250 0.000 2.448 101 S HA 0.284 4.752 4.470 -0.004 0.000 0.279 101 S C 0.283 174.970 174.600 0.145 0.000 1.195 101 S CA -0.657 57.636 58.200 0.155 0.000 1.051 101 S CB -0.587 62.679 63.200 0.111 0.000 0.948 101 S HN 0.383 nan 8.310 nan 0.000 0.493 102 I N 5.683 126.287 120.570 0.055 0.000 2.436 102 I HA 0.113 4.281 4.170 -0.004 0.000 0.289 102 I C 1.475 177.593 176.117 0.002 0.000 1.083 102 I CA -0.258 61.036 61.300 -0.011 0.000 1.372 102 I CB 0.633 38.526 38.000 -0.179 0.000 1.408 102 I HN 0.745 nan 8.210 nan 0.000 0.516 103 N N 4.016 122.717 118.700 0.001 0.000 2.354 103 N HA -0.071 4.666 4.740 -0.004 0.000 0.179 103 N C -0.044 175.417 175.510 -0.082 0.000 1.021 103 N CA 0.964 53.971 53.050 -0.072 0.000 0.887 103 N CB 0.391 38.804 38.487 -0.124 0.000 0.974 103 N HN 0.669 nan 8.380 nan 0.000 0.437 104 D N -2.613 117.773 120.400 -0.023 0.000 2.755 104 D HA 0.136 4.774 4.640 -0.004 0.000 0.277 104 D C -1.743 174.613 176.300 0.094 0.000 1.261 104 D CA -0.514 53.489 54.000 0.006 0.000 0.759 104 D CB 0.569 41.326 40.800 -0.071 0.000 1.279 104 D HN 0.063 nan 8.370 nan 0.000 0.420 105 Y N -1.092 119.222 120.300 0.024 0.000 2.638 105 Y HA 0.797 5.345 4.550 -0.004 0.000 0.339 105 Y C -1.096 174.886 175.900 0.137 0.000 1.084 105 Y CA -1.012 57.127 58.100 0.064 0.000 1.068 105 Y CB 1.750 40.234 38.460 0.041 0.000 1.294 105 Y HN 0.174 nan 8.280 nan 0.000 0.480 106 S N 1.711 117.574 115.700 0.272 0.000 2.652 106 S HA 0.592 5.060 4.470 -0.004 0.000 0.273 106 S C -1.812 173.099 174.600 0.517 0.000 1.172 106 S CA -0.437 57.934 58.200 0.285 0.000 1.009 106 S CB 0.268 63.649 63.200 0.302 0.000 1.094 106 S HN 0.616 nan 8.310 nan 0.000 0.471 107 I N 4.393 125.160 120.570 0.328 0.000 2.428 107 I HA 0.319 4.487 4.170 -0.004 0.000 0.289 107 I C 0.960 176.922 176.117 -0.259 0.000 1.019 107 I CA 0.196 61.592 61.300 0.159 0.000 1.351 107 I CB 1.667 39.746 38.000 0.131 0.000 1.412 107 I HN 0.733 nan 8.210 nan 0.000 0.513 108 S N 5.972 121.198 115.700 -0.791 0.000 2.579 108 S HA 0.217 4.684 4.470 -0.004 0.000 0.275 108 S C -1.829 172.480 174.600 -0.485 0.000 1.345 108 S CA -0.839 56.524 58.200 -1.396 0.000 1.031 108 S CB 0.433 62.688 63.200 -1.576 0.000 0.892 108 S HN 0.462 nan 8.310 nan 0.000 0.529 109 P HA -0.142 nan 4.420 nan 0.000 0.218 109 P C 0.601 177.860 177.300 -0.070 0.000 1.146 109 P CA 1.541 64.571 63.100 -0.117 0.000 0.820 109 P CB -0.144 31.507 31.700 -0.082 0.000 0.778 110 D N -2.548 117.806 120.400 -0.078 0.000 2.340 110 D HA 0.126 4.764 4.640 -0.004 0.000 0.217 110 D C 1.424 177.724 176.300 0.000 0.000 1.081 110 D CA 0.316 54.311 54.000 -0.008 0.000 0.842 110 D CB -1.042 39.787 40.800 0.048 0.000 0.934 110 D HN 0.175 nan 8.370 nan 0.000 0.511 111 G N 0.614 109.405 108.800 -0.014 0.000 2.196 111 G HA2 -0.442 3.516 3.960 -0.004 0.000 0.268 111 G HA3 -0.442 3.516 3.960 -0.004 0.000 0.268 111 G C 1.041 175.931 174.900 -0.017 0.000 0.975 111 G CA 0.711 45.848 45.100 0.062 0.000 0.648 111 G HN 0.469 nan 8.290 nan 0.000 0.538 112 Q N -1.517 118.214 119.800 -0.115 0.000 2.311 112 Q HA 0.322 4.659 4.340 -0.004 0.000 0.203 112 Q C 0.371 175.947 176.000 -0.706 0.000 0.954 112 Q CA 0.727 56.298 55.803 -0.386 0.000 0.885 112 Q CB 0.209 28.706 28.738 -0.403 0.000 0.963 112 Q HN 0.604 nan 8.270 nan 0.000 0.471 113 F N -0.985 118.893 119.950 -0.120 0.000 2.629 113 F HA 0.529 5.053 4.527 -0.004 0.000 0.316 113 F C -0.634 175.236 175.800 0.117 0.000 1.081 113 F CA -1.201 56.803 58.000 0.006 0.000 0.954 113 F CB 1.731 40.765 39.000 0.056 0.000 1.337 113 F HN -0.228 nan 8.300 nan 0.000 0.474 114 I N 2.292 123.198 120.570 0.560 0.000 2.569 114 I HA 0.507 4.675 4.170 -0.004 0.000 0.290 114 I C -1.966 174.514 176.117 0.606 0.000 1.088 114 I CA -1.034 60.601 61.300 0.559 0.000 1.047 114 I CB 1.764 40.052 38.000 0.480 0.000 1.237 114 I HN 0.537 nan 8.210 nan 0.000 0.421 115 L N 8.159 129.762 121.223 0.633 0.000 2.257 115 L HA 0.494 4.831 4.340 -0.004 0.000 0.290 115 L C -1.214 175.825 176.870 0.282 0.000 1.044 115 L CA -0.072 55.010 54.840 0.403 0.000 0.810 115 L CB 0.956 43.166 42.059 0.251 0.000 1.193 115 L HN 0.492 nan 8.230 nan 0.000 0.425 116 L N 5.101 126.426 121.223 0.170 0.000 2.272 116 L HA 0.479 4.817 4.340 -0.004 0.000 0.289 116 L C -0.017 176.903 176.870 0.083 0.000 1.032 116 L CA -0.390 54.455 54.840 0.008 0.000 0.810 116 L CB 1.421 43.267 42.059 -0.354 0.000 1.205 116 L HN 0.607 nan 8.230 nan 0.000 0.422 117 E N 4.077 124.280 120.200 0.004 0.000 2.156 117 E HA 0.440 4.788 4.350 -0.004 0.000 0.279 117 E C -1.567 174.996 176.600 -0.062 0.000 0.965 117 E CA -0.524 55.727 56.400 -0.248 0.000 0.789 117 E CB 1.046 30.637 29.700 -0.181 0.000 1.098 117 E HN 0.439 nan 8.360 nan 0.000 0.397 118 Y N 1.619 121.736 120.300 -0.306 0.000 2.677 118 Y HA 0.477 5.025 4.550 -0.003 0.000 0.334 118 Y C -0.137 175.664 175.900 -0.165 0.000 1.154 118 Y CA -1.709 56.300 58.100 -0.152 0.000 1.070 118 Y CB 0.617 39.051 38.460 -0.044 0.000 1.294 118 Y HN 0.527 nan 8.280 nan 0.000 0.475 119 N N -0.138 118.561 118.700 -0.001 0.000 2.758 119 N HA -0.281 4.457 4.740 -0.004 0.000 0.248 119 N C -1.148 174.327 175.510 -0.058 0.000 1.076 119 N CA 0.824 53.824 53.050 -0.082 0.000 0.696 119 N CB -1.368 36.948 38.487 -0.286 0.000 0.979 119 N HN 0.864 nan 8.380 nan 0.000 0.550 120 Y N 0.324 120.554 120.300 -0.117 0.000 2.569 120 Y HA 0.273 4.820 4.550 -0.004 0.000 0.332 120 Y C 0.066 175.928 175.900 -0.063 0.000 1.120 120 Y CA 0.084 58.109 58.100 -0.125 0.000 1.416 120 Y CB 0.672 39.016 38.460 -0.193 0.000 1.210 120 Y HN -0.000 nan 8.280 nan 0.000 0.528 121 V N 8.246 127.817 119.914 -0.572 0.000 2.357 121 V HA 0.184 4.301 4.120 -0.004 0.000 0.281 121 V C -0.139 175.574 176.094 -0.635 0.000 1.015 121 V CA -1.364 60.663 62.300 -0.455 0.000 0.827 121 V CB 0.998 32.692 31.823 -0.216 0.000 1.018 121 V HN 0.738 nan 8.190 nan 0.000 0.432 122 K N 3.541 123.522 120.400 -0.697 0.000 2.414 122 K HA 0.153 4.471 4.320 -0.004 0.000 0.272 122 K C 0.382 176.818 176.600 -0.273 0.000 0.993 122 K CA 0.406 56.449 56.287 -0.406 0.000 0.964 122 K CB 1.075 33.541 32.500 -0.057 0.000 0.925 122 K HN 0.800 nan 8.250 nan 0.000 0.487 123 Q N 2.622 122.251 119.800 -0.285 0.000 2.489 123 Q HA 0.189 4.526 4.340 -0.004 0.000 0.202 123 Q C -0.058 175.741 176.000 -0.336 0.000 0.853 123 Q CA -0.477 54.977 55.803 -0.581 0.000 0.539 123 Q CB 0.181 28.369 28.738 -0.916 0.000 3.308 123 Q HN 0.730 nan 8.270 nan 0.000 0.362 124 W N 0.353 121.650 121.300 -0.005 0.000 1.836 124 W HA 0.382 5.040 4.660 -0.004 0.000 0.628 124 W C 1.824 178.326 176.519 -0.029 0.000 1.626 124 W CA -0.730 56.636 57.345 0.034 0.000 1.714 124 W CB -0.152 29.284 29.460 -0.039 0.000 3.166 124 W HN 0.326 nan 8.180 nan 0.000 0.772 125 R N -0.547 120.040 120.500 0.144 0.000 2.073 125 R HA -0.165 4.172 4.340 -0.004 0.000 0.234 125 R C 1.834 177.981 176.300 -0.255 0.000 1.134 125 R CA 1.959 57.964 56.100 -0.158 0.000 0.952 125 R CB -0.483 29.555 30.300 -0.438 0.000 0.850 125 R HN 0.501 nan 8.270 nan 0.000 0.433 126 H N -1.189 117.954 119.070 0.123 0.000 2.788 126 H HA 0.150 4.704 4.556 -0.004 0.000 0.262 126 H C 0.724 176.136 175.328 0.141 0.000 0.968 126 H CA 0.487 56.628 56.048 0.155 0.000 1.218 126 H CB 0.199 30.029 29.762 0.114 0.000 1.443 126 H HN 0.169 nan 8.280 nan 0.000 0.478 127 S N 1.264 116.951 115.700 -0.021 0.000 2.585 127 S HA 0.354 4.822 4.470 -0.004 0.000 0.273 127 S C -0.314 174.129 174.600 -0.261 0.000 1.339 127 S CA -0.452 57.422 58.200 -0.543 0.000 1.028 127 S CB 0.686 63.031 63.200 -1.425 0.000 0.906 127 S HN 0.452 nan 8.310 nan 0.000 0.528 128 Y N -2.298 117.814 120.300 -0.313 0.000 2.732 128 Y HA 0.614 5.162 4.550 -0.004 0.000 0.342 128 Y C -0.845 174.992 175.900 -0.104 0.000 1.203 128 Y CA -0.845 57.084 58.100 -0.285 0.000 1.092 128 Y CB 0.391 38.665 38.460 -0.310 0.000 1.345 128 Y HN 0.911 nan 8.280 nan 0.000 0.458 129 T N 0.086 114.677 114.554 0.062 0.000 2.932 129 T HA 1.034 5.381 4.350 -0.004 0.000 0.289 129 T C -0.394 174.398 174.700 0.154 0.000 1.039 129 T CA -0.127 62.036 62.100 0.104 0.000 1.024 129 T CB 1.815 70.696 68.868 0.022 0.000 1.090 129 T HN 1.927 nan 8.240 nan 0.000 0.496 130 A N 0.810 123.703 122.820 0.122 0.000 2.536 130 A HA 0.781 5.099 4.320 -0.004 0.000 0.293 130 A C -0.684 176.731 177.584 -0.281 0.000 1.119 130 A CA -0.971 51.005 52.037 -0.101 0.000 0.654 130 A CB 0.995 19.929 19.000 -0.110 0.000 1.291 130 A HN 0.860 nan 8.150 nan 0.000 0.439 131 S N -0.872 114.405 115.700 -0.705 0.000 2.578 131 S HA 0.847 5.315 4.470 -0.004 0.000 0.301 131 S C -1.608 172.359 174.600 -1.056 0.000 1.091 131 S CA -0.114 57.592 58.200 -0.824 0.000 1.032 131 S CB 0.826 63.262 63.200 -1.274 0.000 1.064 131 S HN 0.466 nan 8.310 nan 0.000 0.508 132 Y N 0.062 120.134 120.300 -0.379 0.000 2.534 132 Y HA 0.519 5.067 4.550 -0.004 0.000 0.345 132 Y C -0.330 175.616 175.900 0.077 0.000 1.031 132 Y CA -0.939 57.094 58.100 -0.112 0.000 1.022 132 Y CB 1.753 40.097 38.460 -0.193 0.000 1.292 132 Y HN 0.493 nan 8.280 nan 0.000 0.459 133 D N 1.929 122.540 120.400 0.351 0.000 2.645 133 D HA 0.564 5.201 4.640 -0.004 0.000 0.228 133 D C -1.065 175.374 176.300 0.230 0.000 1.148 133 D CA -0.342 53.837 54.000 0.298 0.000 0.860 133 D CB 2.823 43.889 40.800 0.442 0.000 1.548 133 D HN 0.411 nan 8.370 nan 0.000 0.460 134 I N 1.724 122.426 120.570 0.220 0.000 2.404 134 I HA 0.260 4.428 4.170 -0.004 0.000 0.293 134 I C -0.932 175.408 176.117 0.372 0.000 0.992 134 I CA -0.955 60.518 61.300 0.288 0.000 1.149 134 I CB 1.577 39.708 38.000 0.219 0.000 1.315 134 I HN 0.230 nan 8.210 nan 0.000 0.446 135 Y N 5.224 125.704 120.300 0.299 0.000 2.341 135 Y HA 0.288 4.836 4.550 -0.004 0.000 0.337 135 Y C -0.182 175.903 175.900 0.308 0.000 1.014 135 Y CA -0.720 57.553 58.100 0.289 0.000 1.111 135 Y CB 1.202 39.849 38.460 0.312 0.000 1.194 135 Y HN 0.475 nan 8.280 nan 0.000 0.462 136 D N 6.672 126.904 120.400 -0.281 0.000 2.393 136 D HA 0.093 4.731 4.640 -0.004 0.000 0.232 136 D C 0.872 176.836 176.300 -0.560 0.000 1.192 136 D CA 0.261 54.055 54.000 -0.343 0.000 0.882 136 D CB 0.743 41.408 40.800 -0.226 0.000 1.038 136 D HN 0.871 nan 8.370 nan 0.000 0.499 137 L N 3.487 124.494 121.223 -0.360 0.000 2.042 137 L HA -0.217 4.120 4.340 -0.004 0.000 0.210 137 L C 2.081 178.794 176.870 -0.261 0.000 1.076 137 L CA 0.843 55.560 54.840 -0.206 0.000 0.749 137 L CB -0.342 41.633 42.059 -0.140 0.000 0.893 137 L HN 0.386 nan 8.230 nan 0.000 0.432 138 N N 0.560 119.067 118.700 -0.322 0.000 2.080 138 N HA -0.140 4.598 4.740 -0.004 0.000 0.189 138 N C 1.660 177.043 175.510 -0.211 0.000 1.036 138 N CA 1.297 54.199 53.050 -0.246 0.000 0.846 138 N CB -0.161 38.179 38.487 -0.244 0.000 1.015 138 N HN 0.367 nan 8.380 nan 0.000 0.423 139 K N 0.814 121.070 120.400 -0.240 0.000 2.525 139 K HA 0.179 4.497 4.320 -0.004 0.000 0.192 139 K C 0.123 176.600 176.600 -0.205 0.000 1.029 139 K CA -0.077 56.099 56.287 -0.185 0.000 1.029 139 K CB 0.248 32.654 32.500 -0.158 0.000 0.814 139 K HN 0.103 nan 8.250 nan 0.000 0.503 140 R N 0.918 121.241 120.500 -0.296 0.000 3.826 140 R HA -0.226 4.112 4.340 -0.004 0.000 0.295 140 R C -0.731 175.373 176.300 -0.325 0.000 1.200 140 R CA 0.884 56.808 56.100 -0.292 0.000 0.818 140 R CB -1.875 28.398 30.300 -0.045 0.000 1.216 140 R HN 0.450 nan 8.270 nan 0.000 0.513 141 Q N 0.229 119.782 119.800 -0.411 0.000 2.306 141 Q HA 0.476 4.814 4.340 -0.004 0.000 0.265 141 Q C -0.628 175.244 176.000 -0.213 0.000 1.022 141 Q CA -1.102 54.592 55.803 -0.182 0.000 0.853 141 Q CB 1.865 30.556 28.738 -0.077 0.000 1.327 141 Q HN 0.023 nan 8.270 nan 0.000 0.449 142 L N 2.285 123.578 121.223 0.116 0.000 2.305 142 L HA 0.347 4.685 4.340 -0.004 0.000 0.281 142 L C -0.809 176.158 176.870 0.161 0.000 1.085 142 L CA 0.065 55.071 54.840 0.277 0.000 0.813 142 L CB 0.699 43.011 42.059 0.421 0.000 1.157 142 L HN 0.535 nan 8.230 nan 0.000 0.436 143 I N 4.107 124.776 120.570 0.164 0.000 2.496 143 I HA 0.123 4.291 4.170 -0.004 0.000 0.285 143 I C 0.836 177.011 176.117 0.096 0.000 1.080 143 I CA 0.215 61.582 61.300 0.112 0.000 1.404 143 I CB 0.868 38.934 38.000 0.108 0.000 1.403 143 I HN 0.797 nan 8.210 nan 0.000 0.539 144 T N 0.312 114.902 114.554 0.060 0.000 3.043 144 T HA 0.307 4.655 4.350 -0.004 0.000 0.272 144 T C 0.240 174.946 174.700 0.010 0.000 0.990 144 T CA -0.420 61.705 62.100 0.041 0.000 0.897 144 T CB 0.045 68.936 68.868 0.038 0.000 1.111 144 T HN 0.443 nan 8.240 nan 0.000 0.529 145 E N 1.800 122.001 120.200 0.003 0.000 2.202 145 E HA 0.512 4.860 4.350 -0.004 0.000 0.272 145 E C -0.266 176.309 176.600 -0.041 0.000 0.951 145 E CA -0.686 55.702 56.400 -0.019 0.000 0.813 145 E CB 0.689 30.382 29.700 -0.012 0.000 1.151 145 E HN 0.033 nan 8.360 nan 0.000 0.398 146 E N 1.176 121.337 120.200 -0.065 0.000 2.228 146 E HA -0.270 4.078 4.350 -0.004 0.000 0.213 146 E C -0.744 175.782 176.600 -0.122 0.000 1.282 146 E CA 0.622 56.964 56.400 -0.096 0.000 0.707 146 E CB -1.299 28.353 29.700 -0.080 0.000 1.150 146 E HN 0.445 nan 8.360 nan 0.000 0.362 147 R N -0.200 120.224 120.500 -0.128 0.000 2.738 147 R HA 0.357 4.695 4.340 -0.004 0.000 0.268 147 R C 1.186 177.323 176.300 -0.273 0.000 1.062 147 R CA -0.428 55.584 56.100 -0.147 0.000 1.158 147 R CB 0.544 30.786 30.300 -0.096 0.000 1.046 147 R HN 0.147 nan 8.270 nan 0.000 0.493 148 I N 3.585 123.959 120.570 -0.327 0.000 2.618 148 I HA 0.046 4.213 4.170 -0.004 0.000 0.284 148 I C -1.720 174.093 176.117 -0.506 0.000 1.146 148 I CA -1.668 59.283 61.300 -0.582 0.000 1.425 148 I CB 0.552 38.206 38.000 -0.576 0.000 1.383 148 I HN 0.313 nan 8.210 nan 0.000 0.562 149 P HA 0.037 nan 4.420 nan 0.000 0.270 149 P C -0.849 176.227 177.300 -0.374 0.000 1.227 149 P CA -0.246 62.448 63.100 -0.676 0.000 0.788 149 P CB 0.371 31.226 31.700 -1.409 0.000 0.926 150 N N 2.252 120.820 118.700 -0.220 0.000 2.513 150 N HA 0.093 4.831 4.740 -0.004 0.000 0.274 150 N C 0.188 175.756 175.510 0.097 0.000 1.189 150 N CA 0.067 53.066 53.050 -0.085 0.000 0.975 150 N CB -0.167 38.282 38.487 -0.063 0.000 1.157 150 N HN 0.408 nan 8.380 nan 0.000 0.465 151 N N -0.653 118.097 118.700 0.084 0.000 2.815 151 N HA -0.141 4.596 4.740 -0.004 0.000 0.248 151 N C -0.927 174.753 175.510 0.283 0.000 1.110 151 N CA 0.616 53.760 53.050 0.157 0.000 0.699 151 N CB -1.649 36.944 38.487 0.176 0.000 1.040 151 N HN 0.469 nan 8.380 nan 0.000 0.555 152 T N 0.823 115.527 114.554 0.250 0.000 2.832 152 T HA 0.159 4.507 4.350 -0.004 0.000 0.296 152 T C 1.715 176.556 174.700 0.235 0.000 0.968 152 T CA -0.051 62.215 62.100 0.277 0.000 1.107 152 T CB 1.427 70.341 68.868 0.077 0.000 0.916 152 T HN 0.147 nan 8.240 nan 0.000 0.517 153 Q N 1.751 121.690 119.800 0.232 0.000 2.269 153 Q HA 0.127 4.465 4.340 -0.004 0.000 0.201 153 Q C 0.132 176.313 176.000 0.302 0.000 0.946 153 Q CA 0.588 56.554 55.803 0.273 0.000 0.877 153 Q CB 0.623 29.487 28.738 0.209 0.000 0.963 153 Q HN 0.691 nan 8.270 nan 0.000 0.472 154 W N -0.585 120.680 121.300 -0.059 0.000 3.645 154 W HA 0.470 5.128 4.660 -0.004 0.000 0.285 154 W C -2.336 174.091 176.519 -0.153 0.000 1.266 154 W CA -0.724 56.537 57.345 -0.139 0.000 1.212 154 W CB 1.089 30.410 29.460 -0.232 0.000 1.306 154 W HN -0.298 nan 8.180 nan 0.000 0.552 155 V N 4.610 123.756 119.914 -1.280 0.000 2.932 155 V HA 0.790 4.908 4.120 -0.004 0.000 0.307 155 V C -1.598 173.866 176.094 -1.050 0.000 1.147 155 V CA -0.029 61.705 62.300 -0.943 0.000 0.951 155 V CB 2.192 33.420 31.823 -0.992 0.000 1.031 155 V HN 0.642 nan 8.190 nan 0.000 0.426 156 T N 5.353 119.623 114.554 -0.474 0.000 2.956 156 T HA 0.548 4.896 4.350 -0.004 0.000 0.312 156 T C -1.238 173.469 174.700 0.012 0.000 1.151 156 T CA -0.309 61.693 62.100 -0.163 0.000 1.024 156 T CB 1.017 70.031 68.868 0.242 0.000 1.140 156 T HN 0.730 nan 8.240 nan 0.000 0.473 157 W N 2.951 124.282 121.300 0.052 0.000 2.161 157 W HA 0.461 5.119 4.660 -0.004 0.000 0.344 157 W C 1.269 177.674 176.519 -0.190 0.000 1.262 157 W CA -0.551 56.783 57.345 -0.019 0.000 1.270 157 W CB 0.683 30.132 29.460 -0.019 0.000 1.126 157 W HN 0.822 nan 8.180 nan 0.000 0.598 158 S N 1.772 117.279 115.700 -0.322 0.000 2.600 158 S HA 0.140 4.607 4.470 -0.004 0.000 0.265 158 S C -1.430 172.910 174.600 -0.434 0.000 1.325 158 S CA -0.988 56.473 58.200 -1.233 0.000 1.002 158 S CB 0.875 63.139 63.200 -1.560 0.000 0.921 158 S HN 0.413 nan 8.310 nan 0.000 0.554 159 P HA 0.062 nan 4.420 nan 0.000 0.223 159 P C -0.015 177.228 177.300 -0.095 0.000 1.151 159 P CA 0.669 63.717 63.100 -0.087 0.000 0.787 159 P CB 0.037 31.732 31.700 -0.009 0.000 0.788 160 V N -1.389 118.418 119.914 -0.177 0.000 2.876 160 V HA 0.627 4.744 4.120 -0.004 0.000 0.312 160 V C 0.780 176.758 176.094 -0.193 0.000 1.085 160 V CA 0.147 62.364 62.300 -0.139 0.000 0.945 160 V CB 1.126 32.883 31.823 -0.111 0.000 1.017 160 V HN 0.458 nan 8.190 nan 0.000 0.428 161 G N 2.786 111.499 108.800 -0.146 0.000 2.509 161 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.259 161 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.259 161 G C 0.162 174.969 174.900 -0.155 0.000 1.169 161 G CA 0.594 45.580 45.100 -0.191 0.000 0.953 161 G HN 1.809 nan 8.290 nan 0.000 0.563 162 H N -0.342 118.706 119.070 -0.036 0.000 3.043 162 H HA 0.383 4.937 4.556 -0.004 0.000 0.244 162 H C 0.356 175.831 175.328 0.245 0.000 1.199 162 H CA -0.060 56.008 56.048 0.034 0.000 0.956 162 H CB -0.182 29.602 29.762 0.038 0.000 2.305 162 H HN 0.531 nan 8.280 nan 0.000 0.665 163 K N 1.596 121.993 120.400 -0.006 0.000 2.276 163 K HA 0.420 4.738 4.320 -0.004 0.000 0.259 163 K C -0.387 176.326 176.600 0.188 0.000 1.001 163 K CA -0.170 56.134 56.287 0.029 0.000 0.927 163 K CB 1.489 33.846 32.500 -0.239 0.000 0.969 163 K HN 0.133 nan 8.250 nan 0.000 0.490 164 L N 0.875 122.232 121.223 0.223 0.000 2.401 164 L HA 0.562 4.899 4.340 -0.004 0.000 0.266 164 L C -1.113 175.945 176.870 0.313 0.000 0.991 164 L CA -0.778 54.149 54.840 0.145 0.000 0.818 164 L CB 2.176 44.162 42.059 -0.121 0.000 1.321 164 L HN 0.738 nan 8.230 nan 0.000 0.413 165 A N 2.671 125.666 122.820 0.293 0.000 2.393 165 A HA 0.837 5.155 4.320 -0.004 0.000 0.306 165 A C -1.682 175.940 177.584 0.063 0.000 1.050 165 A CA -0.374 51.741 52.037 0.131 0.000 0.724 165 A CB 1.328 20.341 19.000 0.022 0.000 1.248 165 A HN 0.656 nan 8.150 nan 0.000 0.424 166 Y N -0.725 119.528 120.300 -0.078 0.000 2.625 166 Y HA 0.768 5.316 4.550 -0.004 0.000 0.338 166 Y C -1.249 174.659 175.900 0.013 0.000 1.123 166 Y CA -1.558 56.476 58.100 -0.111 0.000 1.046 166 Y CB 1.158 39.483 38.460 -0.224 0.000 1.299 166 Y HN 0.413 nan 8.280 nan 0.000 0.464 167 V N 1.888 121.939 119.914 0.229 0.000 2.448 167 V HA 0.373 4.490 4.120 -0.004 0.000 0.295 167 V C -1.462 174.850 176.094 0.363 0.000 1.025 167 V CA -0.607 61.796 62.300 0.171 0.000 0.859 167 V CB 1.320 33.154 31.823 0.018 0.000 0.988 167 V HN 0.865 nan 8.190 nan 0.000 0.431 168 W N 4.929 126.340 121.300 0.185 0.000 3.042 168 W HA 0.472 5.130 4.660 -0.004 0.000 0.337 168 W C 0.300 176.882 176.519 0.105 0.000 1.086 168 W CA -0.809 56.618 57.345 0.136 0.000 1.236 168 W CB 1.233 30.753 29.460 0.100 0.000 1.381 168 W HN 0.795 nan 8.180 nan 0.000 0.472 169 N N 4.999 123.325 118.700 -0.624 0.000 2.735 169 N HA -0.335 4.402 4.740 -0.004 0.000 0.248 169 N C 0.007 175.326 175.510 -0.318 0.000 1.083 169 N CA 0.987 53.656 53.050 -0.635 0.000 0.703 169 N CB -0.925 36.941 38.487 -1.036 0.000 1.005 169 N HN 0.729 nan 8.380 nan 0.000 0.550 170 N N -1.538 117.044 118.700 -0.197 0.000 2.878 170 N HA -0.151 4.587 4.740 -0.004 0.000 0.247 170 N C -1.498 173.909 175.510 -0.171 0.000 1.021 170 N CA 1.654 54.605 53.050 -0.166 0.000 0.873 170 N CB -0.483 37.867 38.487 -0.228 0.000 1.128 170 N HN 0.512 nan 8.380 nan 0.000 0.571 171 D N -0.110 120.192 120.400 -0.164 0.000 2.342 171 D HA 0.487 5.124 4.640 -0.004 0.000 0.243 171 D C 0.391 176.462 176.300 -0.382 0.000 1.019 171 D CA -0.428 53.377 54.000 -0.325 0.000 0.864 171 D CB 1.331 41.878 40.800 -0.421 0.000 1.315 171 D HN 0.014 nan 8.370 nan 0.000 0.468 172 I N 1.778 121.962 120.570 -0.643 0.000 2.396 172 I HA 0.239 4.407 4.170 -0.004 0.000 0.292 172 I C -0.665 174.921 176.117 -0.885 0.000 0.999 172 I CA -0.407 60.508 61.300 -0.641 0.000 1.310 172 I CB 0.567 38.116 38.000 -0.751 0.000 1.404 172 I HN 0.171 nan 8.210 nan 0.000 0.496 173 Y N 3.953 123.837 120.300 -0.693 0.000 2.512 173 Y HA 0.630 5.178 4.550 -0.004 0.000 0.348 173 Y C -0.390 175.141 175.900 -0.616 0.000 0.990 173 Y CA -0.927 56.726 58.100 -0.744 0.000 1.033 173 Y CB 2.030 39.796 38.460 -1.157 0.000 1.259 173 Y HN 0.105 nan 8.280 nan 0.000 0.461 174 V N 2.734 122.575 119.914 -0.123 0.000 2.656 174 V HA 0.500 4.618 4.120 -0.004 0.000 0.307 174 V C -0.938 175.280 176.094 0.207 0.000 1.051 174 V CA -1.400 60.933 62.300 0.055 0.000 0.893 174 V CB 2.075 33.952 31.823 0.089 0.000 0.999 174 V HN 0.628 nan 8.190 nan 0.000 0.426 175 K N 4.378 124.914 120.400 0.227 0.000 2.413 175 K HA 0.514 4.832 4.320 -0.004 0.000 0.257 175 K C 0.243 176.979 176.600 0.225 0.000 0.946 175 K CA -0.768 55.644 56.287 0.208 0.000 0.823 175 K CB 2.047 34.628 32.500 0.135 0.000 1.109 175 K HN 0.390 nan 8.250 nan 0.000 0.427 176 I N 1.086 121.808 120.570 0.253 0.000 2.439 176 I HA -0.053 4.115 4.170 -0.004 0.000 0.251 176 I C 0.285 176.507 176.117 0.176 0.000 1.139 176 I CA 1.393 62.810 61.300 0.196 0.000 1.438 176 I CB -0.333 37.792 38.000 0.207 0.000 1.085 176 I HN 0.579 nan 8.210 nan 0.000 0.427 177 E N -0.176 120.119 120.200 0.159 0.000 2.292 177 E HA 0.271 4.619 4.350 -0.004 0.000 0.272 177 E C -1.938 174.660 176.600 -0.003 0.000 0.881 177 E CA -1.849 54.624 56.400 0.121 0.000 0.754 177 E CB 2.044 31.813 29.700 0.115 0.000 1.201 177 E HN -0.170 nan 8.360 nan 0.000 0.425 178 P HA -0.216 nan 4.420 nan 0.000 0.217 178 P C 0.867 178.103 177.300 -0.107 0.000 1.151 178 P CA 1.508 64.479 63.100 -0.214 0.000 0.849 178 P CB 0.276 31.642 31.700 -0.556 0.000 0.787 179 N N -1.298 117.362 118.700 -0.068 0.000 2.280 179 N HA 0.006 4.744 4.740 -0.004 0.000 0.192 179 N C 0.261 175.759 175.510 -0.021 0.000 1.109 179 N CA 0.193 53.229 53.050 -0.024 0.000 0.855 179 N CB -0.214 38.279 38.487 0.010 0.000 0.974 179 N HN 0.180 nan 8.380 nan 0.000 0.482 180 L N 0.679 121.892 121.223 -0.017 0.000 2.387 180 L HA 0.494 4.832 4.340 -0.004 0.000 0.266 180 L C -2.208 174.625 176.870 -0.063 0.000 1.059 180 L CA -2.150 52.677 54.840 -0.022 0.000 0.801 180 L CB 0.844 42.912 42.059 0.014 0.000 1.223 180 L HN -0.180 nan 8.230 nan 0.000 0.456 181 P HA 0.075 nan 4.420 nan 0.000 0.269 181 P C -0.872 176.279 177.300 -0.249 0.000 1.209 181 P CA -0.112 62.889 63.100 -0.163 0.000 0.776 181 P CB 0.648 32.242 31.700 -0.177 0.000 0.876 182 S N 1.056 116.653 115.700 -0.172 0.000 2.603 182 S HA 0.294 4.762 4.470 -0.004 0.000 0.268 182 S C -0.528 173.926 174.600 -0.243 0.000 1.317 182 S CA 0.017 58.153 58.200 -0.107 0.000 1.012 182 S CB -0.079 63.148 63.200 0.045 0.000 0.926 182 S HN 0.255 nan 8.310 nan 0.000 0.539 183 Y N 0.909 121.242 120.300 0.056 0.000 2.335 183 Y HA 0.421 4.969 4.550 -0.004 0.000 0.338 183 Y C 0.554 176.402 175.900 -0.087 0.000 0.977 183 Y CA -0.694 57.420 58.100 0.023 0.000 1.114 183 Y CB 0.919 39.387 38.460 0.013 0.000 1.182 183 Y HN 0.507 nan 8.280 nan 0.000 0.463 184 R N 3.573 124.041 120.500 -0.053 0.000 2.340 184 R HA 0.281 4.619 4.340 -0.004 0.000 0.300 184 R C 0.097 175.998 176.300 -0.665 0.000 1.069 184 R CA -0.127 55.588 56.100 -0.641 0.000 0.984 184 R CB 0.383 30.171 30.300 -0.853 0.000 1.003 184 R HN 0.753 nan 8.270 nan 0.000 0.459 185 I N 2.201 122.307 120.570 -0.774 0.000 2.867 185 I HA 0.007 4.175 4.170 -0.004 0.000 0.265 185 I C 0.904 176.748 176.117 -0.456 0.000 1.162 185 I CA 0.826 61.837 61.300 -0.482 0.000 1.471 185 I CB -0.611 37.088 38.000 -0.503 0.000 1.123 185 I HN 0.666 nan 8.210 nan 0.000 0.440 186 T N -4.021 110.078 114.554 -0.758 0.000 2.906 186 T HA 0.407 4.755 4.350 -0.004 0.000 0.295 186 T C -0.194 174.172 174.700 -0.558 0.000 1.075 186 T CA -0.535 61.308 62.100 -0.428 0.000 1.005 186 T CB 2.259 70.874 68.868 -0.422 0.000 1.136 186 T HN 0.220 nan 8.240 nan 0.000 0.498 187 W N 0.541 121.726 121.300 -0.193 0.000 2.534 187 W HA 0.116 4.774 4.660 -0.004 0.000 0.339 187 W C 1.455 177.912 176.519 -0.102 0.000 0.961 187 W CA 0.032 57.299 57.345 -0.131 0.000 1.545 187 W CB 0.587 29.994 29.460 -0.089 0.000 1.104 187 W HN 0.955 nan 8.180 nan 0.000 0.538 188 T N -2.288 112.300 114.554 0.058 0.000 3.065 188 T HA 0.154 4.502 4.350 -0.004 0.000 0.252 188 T C 1.322 176.006 174.700 -0.028 0.000 1.099 188 T CA 0.310 62.425 62.100 0.025 0.000 1.063 188 T CB 0.017 68.900 68.868 0.024 0.000 0.948 188 T HN -0.034 nan 8.240 nan 0.000 0.506 189 G N 1.342 110.089 108.800 -0.088 0.000 2.187 189 G HA2 0.280 4.238 3.960 -0.004 0.000 0.239 189 G HA3 0.280 4.238 3.960 -0.004 0.000 0.239 189 G C -0.559 174.267 174.900 -0.123 0.000 1.200 189 G CA -0.252 44.773 45.100 -0.125 0.000 0.888 189 G HN 0.580 nan 8.290 nan 0.000 0.482 190 K N 1.784 122.093 120.400 -0.151 0.000 2.588 190 K HA 0.148 4.466 4.320 -0.004 0.000 0.250 190 K C -0.195 176.276 176.600 -0.215 0.000 0.972 190 K CA -0.661 55.540 56.287 -0.143 0.000 0.821 190 K CB 1.551 34.006 32.500 -0.076 0.000 1.249 190 K HN 0.645 nan 8.250 nan 0.000 0.442 191 E N 3.379 123.459 120.200 -0.200 0.000 2.820 191 E HA -0.168 4.179 4.350 -0.004 0.000 0.251 191 E C -0.600 175.898 176.600 -0.171 0.000 0.944 191 E CA 1.047 57.324 56.400 -0.205 0.000 0.955 191 E CB 0.195 29.813 29.700 -0.137 0.000 0.904 191 E HN 0.626 nan 8.360 nan 0.000 0.513 192 D N 2.691 122.952 120.400 -0.233 0.000 3.077 192 D HA -0.238 4.400 4.640 -0.004 0.000 0.217 192 D C 0.510 176.837 176.300 0.045 0.000 1.162 192 D CA 1.190 55.181 54.000 -0.015 0.000 0.943 192 D CB -0.473 40.373 40.800 0.076 0.000 1.122 192 D HN 0.421 nan 8.370 nan 0.000 0.413 193 I N -1.003 119.509 120.570 -0.097 0.000 3.669 193 I HA 0.105 4.273 4.170 -0.004 0.000 0.255 193 I C 0.766 176.960 176.117 0.127 0.000 1.144 193 I CA 0.417 61.753 61.300 0.060 0.000 1.447 193 I CB 0.092 38.105 38.000 0.022 0.000 1.622 193 I HN -0.140 nan 8.210 nan 0.000 0.435 194 I N 1.722 122.288 120.570 -0.007 0.000 2.389 194 I HA 0.270 4.437 4.170 -0.004 0.000 0.288 194 I C -1.223 174.904 176.117 0.015 0.000 0.999 194 I CA -0.650 60.712 61.300 0.103 0.000 1.129 194 I CB 0.869 38.902 38.000 0.056 0.000 1.288 194 I HN 0.042 nan 8.210 nan 0.000 0.444 195 Y N 4.691 125.077 120.300 0.143 0.000 2.356 195 Y HA 0.400 4.948 4.550 -0.004 0.000 0.334 195 Y C 0.396 176.351 175.900 0.091 0.000 0.958 195 Y CA -0.780 57.401 58.100 0.136 0.000 1.196 195 Y CB 0.966 39.581 38.460 0.259 0.000 1.137 195 Y HN 0.409 nan 8.280 nan 0.000 0.485 196 N N 2.162 120.910 118.700 0.080 0.000 2.424 196 N HA 0.349 5.087 4.740 -0.004 0.000 0.271 196 N C 0.879 176.302 175.510 -0.144 0.000 0.985 196 N CA 0.466 53.486 53.050 -0.050 0.000 0.921 196 N CB 1.874 40.228 38.487 -0.222 0.000 1.149 196 N HN 0.969 nan 8.380 nan 0.000 0.492 197 G N 1.552 110.285 108.800 -0.112 0.000 2.179 197 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.260 197 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.260 197 G C 0.139 174.880 174.900 -0.266 0.000 0.977 197 G CA 0.782 45.743 45.100 -0.231 0.000 0.641 197 G HN 0.669 nan 8.290 nan 0.000 0.533 198 I N -1.938 118.551 120.570 -0.134 0.000 2.969 198 I HA 0.811 4.978 4.170 -0.004 0.000 0.307 198 I C 0.286 176.420 176.117 0.028 0.000 1.149 198 I CA -0.622 60.505 61.300 -0.288 0.000 1.008 198 I CB 1.969 39.611 38.000 -0.597 0.000 1.232 198 I HN 0.190 nan 8.210 nan 0.000 0.435 199 T N -0.431 114.061 114.554 -0.103 0.000 2.874 199 T HA 0.386 4.733 4.350 -0.004 0.000 0.281 199 T C -0.220 174.263 174.700 -0.362 0.000 0.994 199 T CA -0.614 61.299 62.100 -0.311 0.000 1.015 199 T CB 1.302 70.077 68.868 -0.155 0.000 1.028 199 T HN 0.772 nan 8.240 nan 0.000 0.523 200 D N -0.095 119.860 120.400 -0.742 0.000 2.466 200 D HA 0.053 4.690 4.640 -0.004 0.000 0.262 200 D C 0.927 177.163 176.300 -0.106 0.000 1.177 200 D CA -1.170 52.412 54.000 -0.696 0.000 1.035 200 D CB 0.251 40.589 40.800 -0.770 0.000 1.105 200 D HN 0.728 nan 8.370 nan 0.000 0.551 201 W N 0.474 121.742 121.300 -0.052 0.000 2.317 201 W HA -0.248 4.410 4.660 -0.004 0.000 0.318 201 W C 2.099 178.519 176.519 -0.166 0.000 1.227 201 W CA 2.380 59.687 57.345 -0.062 0.000 1.269 201 W CB -0.370 28.986 29.460 -0.173 0.000 1.155 201 W HN 0.207 nan 8.180 nan 0.000 0.484 202 V N -0.248 119.759 119.914 0.155 0.000 2.453 202 V HA -0.285 3.832 4.120 -0.004 0.000 0.247 202 V C 1.869 177.788 176.094 -0.291 0.000 1.048 202 V CA 1.996 64.253 62.300 -0.073 0.000 1.049 202 V CB -0.743 31.027 31.823 -0.089 0.000 0.672 202 V HN 0.296 nan 8.190 nan 0.000 0.457 203 Y N 0.640 120.763 120.300 -0.295 0.000 2.242 203 Y HA -0.191 4.356 4.550 -0.004 0.000 0.291 203 Y C 2.596 178.383 175.900 -0.188 0.000 1.137 203 Y CA 2.171 60.094 58.100 -0.294 0.000 1.181 203 Y CB -0.072 38.090 38.460 -0.497 0.000 0.989 203 Y HN 0.380 nan 8.280 nan 0.000 0.527 204 E N 0.327 120.492 120.200 -0.059 0.000 2.031 204 E HA -0.295 4.052 4.350 -0.004 0.000 0.193 204 E C 2.041 178.601 176.600 -0.067 0.000 0.994 204 E CA 1.578 57.976 56.400 -0.003 0.000 0.800 204 E CB -0.017 29.691 29.700 0.013 0.000 0.752 204 E HN 0.425 nan 8.360 nan 0.000 0.447 205 E N 0.305 120.276 120.200 -0.382 0.000 2.046 205 E HA -0.160 4.188 4.350 -0.004 0.000 0.190 205 E C 1.722 178.199 176.600 -0.205 0.000 0.982 205 E CA 1.600 57.753 56.400 -0.412 0.000 0.800 205 E CB 0.109 29.203 29.700 -1.010 0.000 0.756 205 E HN 0.218 nan 8.360 nan 0.000 0.449 206 E N -0.692 119.363 120.200 -0.242 0.000 2.431 206 E HA 0.080 4.427 4.350 -0.004 0.000 0.200 206 E C 1.772 178.241 176.600 -0.217 0.000 0.995 206 E CA 0.454 56.761 56.400 -0.155 0.000 0.915 206 E CB 0.939 30.547 29.700 -0.154 0.000 0.930 206 E HN 0.230 nan 8.360 nan 0.000 0.496 207 V N -0.577 119.153 119.914 -0.307 0.000 2.870 207 V HA 0.057 4.175 4.120 -0.004 0.000 0.232 207 V C 1.464 177.321 176.094 -0.395 0.000 1.161 207 V CA 0.603 62.640 62.300 -0.438 0.000 1.204 207 V CB -0.340 31.069 31.823 -0.690 0.000 1.003 207 V HN 0.005 nan 8.190 nan 0.000 0.499 208 F N 0.724 120.700 119.950 0.044 0.000 2.776 208 F HA 0.302 4.827 4.527 -0.004 0.000 0.300 208 F C 1.610 177.380 175.800 -0.051 0.000 1.116 208 F CA 0.171 58.204 58.000 0.056 0.000 1.375 208 F CB -0.398 38.679 39.000 0.127 0.000 1.109 208 F HN 0.074 nan 8.300 nan 0.000 0.585 209 S N 0.365 116.083 115.700 0.031 0.000 3.521 209 S HA -0.027 4.441 4.470 -0.004 0.000 0.362 209 S C 0.146 174.315 174.600 -0.719 0.000 1.044 209 S CA 0.468 58.548 58.200 -0.199 0.000 1.091 209 S CB -1.610 61.524 63.200 -0.110 0.000 0.908 209 S HN 0.651 nan 8.310 nan 0.000 0.473 210 A N -0.737 121.914 122.820 -0.281 0.000 2.601 210 A HA 0.722 5.040 4.320 -0.004 0.000 0.291 210 A C -0.331 177.238 177.584 -0.026 0.000 1.075 210 A CA -0.451 51.440 52.037 -0.243 0.000 0.671 210 A CB 0.283 19.150 19.000 -0.222 0.000 1.277 210 A HN 0.308 nan 8.150 nan 0.000 0.417 211 Y N 1.407 121.531 120.300 -0.292 0.000 2.436 211 Y HA 0.178 4.725 4.550 -0.004 0.000 0.288 211 Y C 1.528 177.130 175.900 -0.496 0.000 1.112 211 Y CA 0.714 58.649 58.100 -0.275 0.000 1.220 211 Y CB -0.051 38.288 38.460 -0.202 0.000 1.073 211 Y HN 0.744 nan 8.280 nan 0.000 0.552 212 S N 0.696 115.825 115.700 -0.951 0.000 2.564 212 S HA 0.541 5.009 4.470 -0.004 0.000 0.278 212 S C 0.225 174.315 174.600 -0.851 0.000 1.333 212 S CA -0.136 57.335 58.200 -1.214 0.000 1.048 212 S CB 1.465 63.507 63.200 -1.929 0.000 0.900 212 S HN 0.444 nan 8.310 nan 0.000 0.505 213 A N 2.366 124.694 122.820 -0.819 0.000 3.176 213 A HA 0.553 4.871 4.320 -0.004 0.000 0.265 213 A C -0.554 176.329 177.584 -1.168 0.000 0.936 213 A CA -0.733 50.759 52.037 -0.909 0.000 1.033 213 A CB -0.623 18.267 19.000 -0.182 0.000 1.158 213 A HN 1.122 nan 8.150 nan 0.000 0.485 214 L N -4.822 115.505 121.223 -1.493 0.000 2.434 214 L HA 0.903 5.241 4.340 -0.004 0.000 0.260 214 L C -1.427 174.847 176.870 -0.994 0.000 0.983 214 L CA -1.248 53.032 54.840 -0.933 0.000 0.820 214 L CB 1.083 42.870 42.059 -0.453 0.000 1.361 214 L HN 0.226 nan 8.230 nan 0.000 0.410 215 W N 1.610 122.949 121.300 0.065 0.000 2.687 215 W HA 0.329 4.986 4.660 -0.004 0.000 0.328 215 W C -1.500 175.245 176.519 0.376 0.000 1.012 215 W CA -0.749 56.756 57.345 0.267 0.000 1.262 215 W CB 1.545 31.216 29.460 0.352 0.000 1.331 215 W HN 0.624 nan 8.180 nan 0.000 0.433 216 W N 2.569 124.069 121.300 0.332 0.000 2.190 216 W HA 0.216 4.873 4.660 -0.004 0.000 0.330 216 W C 1.302 177.667 176.519 -0.257 0.000 1.299 216 W CA 0.378 57.786 57.345 0.104 0.000 1.215 216 W CB 0.843 30.337 29.460 0.057 0.000 1.147 216 W HN 0.175 nan 8.180 nan 0.000 0.563 217 S N 2.683 118.124 115.700 -0.432 0.000 2.600 217 S HA 0.203 4.670 4.470 -0.004 0.000 0.265 217 S C -1.758 172.580 174.600 -0.437 0.000 1.325 217 S CA -1.055 56.308 58.200 -1.394 0.000 1.002 217 S CB 0.972 63.312 63.200 -1.434 0.000 0.921 217 S HN 0.295 nan 8.310 nan 0.000 0.554 218 P HA -0.198 nan 4.420 nan 0.000 0.217 218 P C 0.795 178.055 177.300 -0.067 0.000 1.158 218 P CA 1.862 64.916 63.100 -0.075 0.000 0.887 218 P CB -0.246 31.453 31.700 -0.001 0.000 0.792 219 N N -2.224 116.423 118.700 -0.088 0.000 2.235 219 N HA 0.158 4.895 4.740 -0.004 0.000 0.209 219 N C 1.055 176.487 175.510 -0.130 0.000 1.122 219 N CA 0.406 53.403 53.050 -0.088 0.000 0.845 219 N CB -0.746 37.703 38.487 -0.063 0.000 1.004 219 N HN 0.202 nan 8.380 nan 0.000 0.499 220 G N -0.976 107.753 108.800 -0.119 0.000 2.162 220 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.260 220 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.260 220 G C 0.977 175.918 174.900 0.067 0.000 0.976 220 G CA 0.851 45.896 45.100 -0.092 0.000 0.655 220 G HN 0.381 nan 8.290 nan 0.000 0.533 221 T N -0.045 114.467 114.554 -0.069 0.000 2.701 221 T HA 0.184 4.531 4.350 -0.004 0.000 0.263 221 T C 0.921 175.501 174.700 -0.201 0.000 1.040 221 T CA 1.339 63.306 62.100 -0.222 0.000 1.147 221 T CB -0.100 68.470 68.868 -0.496 0.000 0.865 221 T HN 0.286 nan 8.240 nan 0.000 0.426 222 F N 0.298 120.279 119.950 0.051 0.000 2.399 222 F HA 0.624 5.148 4.527 -0.004 0.000 0.328 222 F C -0.153 175.698 175.800 0.084 0.000 1.084 222 F CA -1.622 56.433 58.000 0.091 0.000 1.053 222 F CB 0.997 40.106 39.000 0.183 0.000 1.209 222 F HN -0.088 nan 8.300 nan 0.000 0.502 223 L N 2.474 123.832 121.223 0.225 0.000 2.372 223 L HA 0.805 5.143 4.340 -0.004 0.000 0.274 223 L C -0.773 176.171 176.870 0.123 0.000 0.988 223 L CA -0.488 54.303 54.840 -0.082 0.000 0.833 223 L CB 0.853 42.573 42.059 -0.565 0.000 1.236 223 L HN 0.658 nan 8.230 nan 0.000 0.410 224 A N 4.460 127.429 122.820 0.249 0.000 2.306 224 A HA 0.867 5.185 4.320 -0.004 0.000 0.330 224 A C -1.444 176.196 177.584 0.094 0.000 1.146 224 A CA -0.237 51.811 52.037 0.018 0.000 0.827 224 A CB 0.800 19.863 19.000 0.105 0.000 1.178 224 A HN 0.954 nan 8.150 nan 0.000 0.490 225 Y N -2.348 117.731 120.300 -0.368 0.000 2.677 225 Y HA 0.735 5.282 4.550 -0.004 0.000 0.334 225 Y C -0.407 175.395 175.900 -0.164 0.000 1.196 225 Y CA -0.906 57.099 58.100 -0.160 0.000 1.059 225 Y CB 0.725 39.033 38.460 -0.253 0.000 1.315 225 Y HN 0.984 nan 8.280 nan 0.000 0.455 226 A N 1.765 124.676 122.820 0.152 0.000 2.320 226 A HA 0.724 5.041 4.320 -0.004 0.000 0.334 226 A C -1.179 176.281 177.584 -0.207 0.000 1.147 226 A CA -0.819 51.170 52.037 -0.080 0.000 0.820 226 A CB 1.768 20.659 19.000 -0.182 0.000 1.218 226 A HN 0.808 nan 8.150 nan 0.000 0.482 227 Q N 0.870 120.458 119.800 -0.353 0.000 2.304 227 Q HA 0.611 4.948 4.340 -0.004 0.000 0.270 227 Q C -2.130 173.619 176.000 -0.417 0.000 1.035 227 Q CA -0.371 55.329 55.803 -0.171 0.000 0.781 227 Q CB 1.190 30.047 28.738 0.198 0.000 1.261 227 Q HN 0.598 nan 8.270 nan 0.000 0.444 228 F N 2.286 122.329 119.950 0.154 0.000 2.469 228 F HA 0.424 4.949 4.527 -0.004 0.000 0.332 228 F C 0.344 176.285 175.800 0.235 0.000 1.103 228 F CA -0.925 57.148 58.000 0.122 0.000 0.979 228 F CB 1.495 40.484 39.000 -0.018 0.000 1.137 228 F HN 0.425 nan 8.300 nan 0.000 0.463 229 N N 2.007 120.922 118.700 0.358 0.000 2.476 229 N HA 0.223 4.961 4.740 -0.004 0.000 0.257 229 N C -0.930 174.753 175.510 0.288 0.000 0.970 229 N CA -0.319 52.904 53.050 0.290 0.000 0.938 229 N CB 1.081 39.688 38.487 0.199 0.000 1.144 229 N HN 0.568 nan 8.380 nan 0.000 0.500 230 D N 1.520 122.109 120.400 0.316 0.000 2.424 230 D HA 0.134 4.772 4.640 -0.004 0.000 0.220 230 D C 1.200 177.618 176.300 0.196 0.000 1.150 230 D CA 0.078 54.241 54.000 0.272 0.000 0.831 230 D CB 0.572 41.586 40.800 0.357 0.000 0.981 230 D HN 0.462 nan 8.370 nan 0.000 0.500 231 T N 0.351 115.003 114.554 0.162 0.000 2.649 231 T HA -0.229 4.119 4.350 -0.004 0.000 0.268 231 T C 1.377 176.135 174.700 0.096 0.000 1.036 231 T CA 1.361 63.530 62.100 0.114 0.000 1.157 231 T CB -0.064 68.860 68.868 0.093 0.000 0.861 231 T HN 0.303 nan 8.240 nan 0.000 0.445 232 E N 0.338 120.595 120.200 0.095 0.000 2.444 232 E HA 0.170 4.518 4.350 -0.004 0.000 0.191 232 E C -0.469 176.180 176.600 0.081 0.000 1.041 232 E CA -0.257 56.189 56.400 0.077 0.000 0.883 232 E CB 0.509 30.247 29.700 0.064 0.000 1.024 232 E HN 0.208 nan 8.360 nan 0.000 0.470 233 V N 3.527 123.504 119.914 0.104 0.000 2.508 233 V HA 0.098 4.216 4.120 -0.004 0.000 0.281 233 V C -2.011 174.139 176.094 0.092 0.000 1.041 233 V CA -1.543 60.822 62.300 0.108 0.000 1.016 233 V CB 0.447 32.354 31.823 0.139 0.000 0.984 233 V HN 0.059 nan 8.190 nan 0.000 0.478 234 P HA 0.220 nan 4.420 nan 0.000 0.269 234 P C -0.730 176.603 177.300 0.054 0.000 1.215 234 P CA -0.177 62.956 63.100 0.056 0.000 0.780 234 P CB 0.489 32.220 31.700 0.051 0.000 0.898 235 L N 2.401 123.632 121.223 0.013 0.000 2.309 235 L HA 0.446 4.784 4.340 -0.004 0.000 0.282 235 L C 0.327 177.134 176.870 -0.105 0.000 1.036 235 L CA -0.941 53.886 54.840 -0.022 0.000 0.806 235 L CB 1.072 43.114 42.059 -0.028 0.000 1.220 235 L HN 0.301 nan 8.230 nan 0.000 0.429 236 I N 2.408 122.862 120.570 -0.193 0.000 2.440 236 I HA 0.287 4.454 4.170 -0.004 0.000 0.294 236 I C -0.421 175.516 176.117 -0.300 0.000 0.995 236 I CA 0.176 61.252 61.300 -0.374 0.000 1.306 236 I CB 0.987 38.497 38.000 -0.816 0.000 1.407 236 I HN 0.579 nan 8.210 nan 0.000 0.501 237 E N 7.081 127.123 120.200 -0.263 0.000 2.256 237 E HA 0.515 4.863 4.350 -0.004 0.000 0.268 237 E C -1.822 174.682 176.600 -0.161 0.000 0.877 237 E CA -0.563 55.685 56.400 -0.254 0.000 0.757 237 E CB 2.062 31.658 29.700 -0.174 0.000 1.183 237 E HN 0.575 nan 8.360 nan 0.000 0.418 238 Y N -1.640 118.571 120.300 -0.149 0.000 2.638 238 Y HA 0.579 5.127 4.550 -0.004 0.000 0.335 238 Y C -0.750 175.074 175.900 -0.127 0.000 1.155 238 Y CA -1.271 56.747 58.100 -0.137 0.000 1.046 238 Y CB 0.921 39.309 38.460 -0.120 0.000 1.303 238 Y HN 0.195 nan 8.280 nan 0.000 0.460 239 S N 1.797 117.500 115.700 0.004 0.000 2.562 239 S HA 0.499 4.966 4.470 -0.004 0.000 0.275 239 S C -1.451 173.004 174.600 -0.242 0.000 1.281 239 S CA -0.421 57.632 58.200 -0.245 0.000 1.045 239 S CB 0.620 63.507 63.200 -0.522 0.000 0.962 239 S HN 0.530 nan 8.310 nan 0.000 0.503 240 F N 2.315 122.014 119.950 -0.418 0.000 2.499 240 F HA 0.436 4.961 4.527 -0.004 0.000 0.333 240 F C -0.255 175.330 175.800 -0.359 0.000 1.138 240 F CA -0.978 56.872 58.000 -0.251 0.000 0.945 240 F CB 0.755 39.740 39.000 -0.025 0.000 1.181 240 F HN 0.653 nan 8.300 nan 0.000 0.435 241 Y N 2.725 122.810 120.300 -0.359 0.000 2.365 241 Y HA 0.121 4.669 4.550 -0.004 0.000 0.293 241 Y C 1.738 177.540 175.900 -0.163 0.000 1.119 241 Y CA 1.056 59.032 58.100 -0.206 0.000 1.203 241 Y CB -0.589 37.747 38.460 -0.207 0.000 1.026 241 Y HN 0.731 nan 8.280 nan 0.000 0.549 242 S N -0.160 115.391 115.700 -0.248 0.000 3.569 242 S HA -0.318 4.150 4.470 -0.004 0.000 0.635 242 S C -0.187 174.445 174.600 0.053 0.000 2.396 242 S CA 0.205 58.431 58.200 0.044 0.000 2.612 242 S CB -1.432 61.922 63.200 0.256 0.000 0.331 242 S HN 0.615 nan 8.310 nan 0.000 1.764 243 D N 0.871 121.329 120.400 0.097 0.000 2.400 243 D HA 0.219 4.857 4.640 -0.004 0.000 0.238 243 D C 1.438 177.768 176.300 0.050 0.000 1.157 243 D CA 0.820 54.861 54.000 0.067 0.000 0.889 243 D CB 0.454 41.298 40.800 0.073 0.000 1.199 243 D HN 0.521 nan 8.370 nan 0.000 0.436 244 E N 0.887 121.105 120.200 0.030 0.000 2.233 244 E HA -0.264 4.084 4.350 -0.004 0.000 0.199 244 E C 1.478 178.089 176.600 0.020 0.000 1.004 244 E CA 1.330 57.739 56.400 0.015 0.000 0.819 244 E CB 0.016 29.720 29.700 0.006 0.000 0.738 244 E HN 0.569 nan 8.360 nan 0.000 0.478 245 S N 0.047 115.765 115.700 0.031 0.000 2.481 245 S HA -0.114 4.353 4.470 -0.004 0.000 0.231 245 S C 0.867 175.492 174.600 0.042 0.000 0.996 245 S CA -0.064 58.155 58.200 0.032 0.000 0.942 245 S CB -0.118 63.104 63.200 0.037 0.000 0.768 245 S HN 0.199 nan 8.310 nan 0.000 0.520 246 L N 2.499 123.756 121.223 0.057 0.000 2.369 246 L HA 0.309 4.646 4.340 -0.004 0.000 0.279 246 L C 1.357 178.260 176.870 0.055 0.000 1.108 246 L CA 0.078 54.963 54.840 0.075 0.000 0.852 246 L CB 0.664 42.784 42.059 0.102 0.000 1.169 246 L HN 0.249 nan 8.230 nan 0.000 0.452 247 Q N 3.919 123.751 119.800 0.053 0.000 2.083 247 Q HA -0.081 4.257 4.340 -0.004 0.000 0.198 247 Q C -0.490 175.426 176.000 -0.140 0.000 0.969 247 Q CA 1.290 57.066 55.803 -0.045 0.000 0.838 247 Q CB 0.116 28.836 28.738 -0.030 0.000 0.900 247 Q HN 0.679 nan 8.270 nan 0.000 0.436 248 Y N 0.788 121.105 120.300 0.028 0.000 2.331 248 Y HA 0.377 4.924 4.550 -0.004 0.000 0.338 248 Y C -2.029 173.888 175.900 0.027 0.000 0.992 248 Y CA -2.860 55.254 58.100 0.024 0.000 1.121 248 Y CB 1.337 39.803 38.460 0.009 0.000 1.184 248 Y HN 0.168 nan 8.280 nan 0.000 0.469 249 P HA 0.031 nan 4.420 nan 0.000 0.269 249 P C -0.848 176.475 177.300 0.039 0.000 1.215 249 P CA -0.502 62.634 63.100 0.061 0.000 0.780 249 P CB 0.682 32.373 31.700 -0.016 0.000 0.898 250 K N 0.920 121.328 120.400 0.014 0.000 2.110 250 K HA 0.374 4.691 4.320 -0.004 0.000 0.263 250 K C -0.777 175.792 176.600 -0.050 0.000 0.975 250 K CA -0.366 55.930 56.287 0.015 0.000 0.895 250 K CB 0.570 33.112 32.500 0.071 0.000 1.060 250 K HN 0.288 nan 8.250 nan 0.000 0.448 251 T N 3.182 117.689 114.554 -0.079 0.000 2.770 251 T HA 0.215 4.563 4.350 -0.004 0.000 0.297 251 T C -0.698 173.884 174.700 -0.196 0.000 0.997 251 T CA -0.598 61.418 62.100 -0.140 0.000 0.949 251 T CB 0.886 69.682 68.868 -0.120 0.000 0.941 251 T HN 0.326 nan 8.240 nan 0.000 0.457 252 V N 5.897 125.606 119.914 -0.341 0.000 2.488 252 V HA 0.354 4.472 4.120 -0.004 0.000 0.277 252 V C 0.512 176.333 176.094 -0.454 0.000 1.046 252 V CA -0.275 61.769 62.300 -0.427 0.000 0.986 252 V CB 0.499 31.928 31.823 -0.657 0.000 0.989 252 V HN 0.697 nan 8.190 nan 0.000 0.475 253 R N 3.655 124.018 120.500 -0.229 0.000 2.409 253 R HA 0.707 5.045 4.340 -0.004 0.000 0.313 253 R C -1.277 175.001 176.300 -0.036 0.000 0.953 253 R CA -0.525 55.481 56.100 -0.157 0.000 0.849 253 R CB 2.239 32.480 30.300 -0.099 0.000 1.171 253 R HN 0.525 nan 8.270 nan 0.000 0.458 254 V N 3.780 123.674 119.914 -0.033 0.000 2.686 254 V HA 0.506 4.624 4.120 -0.004 0.000 0.306 254 V C -2.682 173.464 176.094 0.086 0.000 1.065 254 V CA -2.739 59.623 62.300 0.103 0.000 0.894 254 V CB 2.495 34.416 31.823 0.162 0.000 1.004 254 V HN 0.524 nan 8.190 nan 0.000 0.424 255 P HA 0.216 nan 4.420 nan 0.000 0.266 255 P C -1.775 175.637 177.300 0.187 0.000 1.215 255 P CA 0.582 63.789 63.100 0.178 0.000 0.763 255 P CB -0.215 31.634 31.700 0.249 0.000 0.806 256 Y N 6.142 126.418 120.300 -0.040 0.000 2.298 256 Y HA 0.349 4.896 4.550 -0.004 0.000 0.322 256 Y C -2.792 173.076 175.900 -0.052 0.000 1.138 256 Y CA -2.779 55.248 58.100 -0.121 0.000 1.127 256 Y CB 1.735 39.990 38.460 -0.342 0.000 1.178 256 Y HN 0.282 nan 8.280 nan 0.000 0.428 257 P HA 0.252 nan 4.420 nan 0.000 0.286 257 P C -0.846 176.509 177.300 0.092 0.000 1.321 257 P CA -0.155 62.991 63.100 0.077 0.000 0.790 257 P CB 1.270 32.997 31.700 0.045 0.000 0.897 258 K N 2.093 122.621 120.400 0.214 0.000 2.118 258 K HA 0.475 4.793 4.320 -0.004 0.000 0.240 258 K C 0.641 177.342 176.600 0.168 0.000 1.035 258 K CA -0.677 55.755 56.287 0.242 0.000 0.899 258 K CB 0.441 33.099 32.500 0.263 0.000 1.085 258 K HN 0.445 nan 8.250 nan 0.000 0.498 259 A N 0.624 123.571 122.820 0.211 0.000 2.566 259 A HA 0.281 4.599 4.320 -0.004 0.000 0.245 259 A C 1.180 178.804 177.584 0.065 0.000 1.056 259 A CA 0.982 53.130 52.037 0.185 0.000 0.757 259 A CB -1.184 18.014 19.000 0.329 0.000 0.979 259 A HN 0.892 nan 8.150 nan 0.000 0.508 260 G N 0.872 109.700 108.800 0.046 0.000 2.179 260 G HA2 0.108 4.065 3.960 -0.004 0.000 0.260 260 G HA3 0.108 4.065 3.960 -0.004 0.000 0.260 260 G C 0.658 175.570 174.900 0.021 0.000 0.977 260 G CA 0.744 45.844 45.100 0.000 0.000 0.641 260 G HN 2.178 nan 8.290 nan 0.000 0.533 261 A N -0.382 122.467 122.820 0.050 0.000 2.259 261 A HA 0.747 5.065 4.320 -0.004 0.000 0.278 261 A C 0.809 178.425 177.584 0.053 0.000 1.107 261 A CA 0.271 52.341 52.037 0.054 0.000 0.828 261 A CB 0.772 19.819 19.000 0.077 0.000 1.111 261 A HN 1.152 nan 8.150 nan 0.000 0.498 262 V N 2.626 122.572 119.914 0.053 0.000 2.485 262 V HA 0.031 4.149 4.120 -0.004 0.000 0.287 262 V C 0.293 176.432 176.094 0.074 0.000 1.022 262 V CA -0.108 62.224 62.300 0.054 0.000 1.067 262 V CB -0.288 31.568 31.823 0.054 0.000 0.967 262 V HN 0.796 nan 8.190 nan 0.000 0.479 263 N N 6.470 125.214 118.700 0.073 0.000 2.476 263 N HA 0.478 5.216 4.740 -0.004 0.000 0.275 263 N C -2.381 173.212 175.510 0.139 0.000 1.190 263 N CA -1.497 51.619 53.050 0.110 0.000 0.977 263 N CB 1.024 39.572 38.487 0.102 0.000 1.200 263 N HN 0.393 nan 8.380 nan 0.000 0.515 264 P HA 0.126 nan 4.420 nan 0.000 0.277 264 P C -0.456 177.005 177.300 0.268 0.000 1.240 264 P CA -0.209 63.050 63.100 0.265 0.000 0.798 264 P CB 0.508 32.418 31.700 0.351 0.000 0.979 265 T N -1.218 113.466 114.554 0.218 0.000 2.927 265 T HA 0.599 4.947 4.350 -0.004 0.000 0.281 265 T C -0.169 174.661 174.700 0.217 0.000 0.998 265 T CA -0.790 61.399 62.100 0.149 0.000 1.019 265 T CB 1.446 70.372 68.868 0.095 0.000 1.061 265 T HN 0.367 nan 8.240 nan 0.000 0.518 266 V N 0.070 120.085 119.914 0.169 0.000 3.049 266 V HA 0.775 4.893 4.120 -0.004 0.000 0.309 266 V C -1.742 174.425 176.094 0.122 0.000 1.148 266 V CA -0.894 61.464 62.300 0.098 0.000 0.990 266 V CB 2.193 34.091 31.823 0.126 0.000 1.039 266 V HN 1.096 nan 8.190 nan 0.000 0.430 267 K N 3.919 124.330 120.400 0.019 0.000 2.477 267 K HA 0.600 4.918 4.320 -0.004 0.000 0.255 267 K C -1.994 174.543 176.600 -0.105 0.000 0.952 267 K CA -0.484 55.789 56.287 -0.023 0.000 0.826 267 K CB 2.801 35.264 32.500 -0.062 0.000 1.331 267 K HN 0.563 nan 8.250 nan 0.000 0.437 268 F N 2.064 121.731 119.950 -0.471 0.000 2.520 268 F HA 0.607 5.132 4.527 -0.004 0.000 0.322 268 F C -1.470 173.824 175.800 -0.842 0.000 1.103 268 F CA -0.636 57.077 58.000 -0.479 0.000 0.926 268 F CB 0.887 39.708 39.000 -0.298 0.000 1.154 268 F HN 0.404 nan 8.300 nan 0.000 0.453 269 F N 3.260 122.467 119.950 -1.238 0.000 2.650 269 F HA 0.797 5.322 4.527 -0.004 0.000 0.320 269 F C -1.039 174.066 175.800 -1.160 0.000 1.091 269 F CA -1.278 56.125 58.000 -0.996 0.000 0.962 269 F CB 1.929 40.365 39.000 -0.940 0.000 1.363 269 F HN 0.159 nan 8.300 nan 0.000 0.482 270 V N 1.855 121.523 119.914 -0.410 0.000 2.668 270 V HA 0.606 4.724 4.120 -0.004 0.000 0.304 270 V C -1.292 174.847 176.094 0.074 0.000 1.071 270 V CA -0.773 61.356 62.300 -0.283 0.000 0.894 270 V CB 1.847 33.303 31.823 -0.613 0.000 1.008 270 V HN 0.653 nan 8.190 nan 0.000 0.425 271 V N 4.052 124.083 119.914 0.196 0.000 2.715 271 V HA 0.554 4.672 4.120 -0.004 0.000 0.310 271 V C -0.125 176.179 176.094 0.349 0.000 1.054 271 V CA -0.608 61.844 62.300 0.254 0.000 0.928 271 V CB 2.038 33.960 31.823 0.165 0.000 1.007 271 V HN 1.015 nan 8.190 nan 0.000 0.437 272 N N 3.123 122.019 118.700 0.327 0.000 2.521 272 N HA 0.137 4.875 4.740 -0.004 0.000 0.236 272 N C 1.270 176.790 175.510 0.015 0.000 1.067 272 N CA 0.332 53.481 53.050 0.165 0.000 0.939 272 N CB 1.090 39.656 38.487 0.132 0.000 1.201 272 N HN 0.908 nan 8.380 nan 0.000 0.511 273 T N 0.309 114.867 114.554 0.006 0.000 2.929 273 T HA -0.126 4.222 4.350 -0.004 0.000 0.271 273 T C 1.017 175.679 174.700 -0.063 0.000 1.085 273 T CA 0.971 63.069 62.100 -0.002 0.000 1.125 273 T CB -0.020 68.940 68.868 0.153 0.000 0.874 273 T HN 0.372 nan 8.240 nan 0.000 0.494 274 D N 1.809 122.151 120.400 -0.097 0.000 2.310 274 D HA -0.031 4.607 4.640 -0.004 0.000 0.212 274 D C 2.257 178.498 176.300 -0.099 0.000 0.965 274 D CA 1.352 55.288 54.000 -0.106 0.000 0.879 274 D CB -0.174 40.539 40.800 -0.144 0.000 0.921 274 D HN 0.711 nan 8.370 nan 0.000 0.510 275 S N -0.725 114.918 115.700 -0.093 0.000 2.548 275 S HA 0.101 4.569 4.470 -0.004 0.000 0.215 275 S C 2.049 176.574 174.600 -0.125 0.000 0.976 275 S CA -0.247 57.911 58.200 -0.071 0.000 0.908 275 S CB -0.188 63.002 63.200 -0.017 0.000 0.781 275 S HN 0.162 nan 8.310 nan 0.000 0.519 276 L N 2.430 123.511 121.223 -0.236 0.000 2.043 276 L HA -0.134 4.203 4.340 -0.004 0.000 0.212 276 L C 2.792 179.330 176.870 -0.553 0.000 1.075 276 L CA 1.681 56.219 54.840 -0.504 0.000 0.752 276 L CB -0.802 40.723 42.059 -0.889 0.000 0.891 276 L HN 0.591 nan 8.230 nan 0.000 0.432 277 S N -3.021 112.481 115.700 -0.331 0.000 2.603 277 S HA 0.037 4.505 4.470 -0.004 0.000 0.220 277 S C 1.580 176.189 174.600 0.014 0.000 0.967 277 S CA 0.437 58.603 58.200 -0.056 0.000 0.920 277 S CB 0.370 63.600 63.200 0.050 0.000 0.773 277 S HN 0.233 nan 8.310 nan 0.000 0.529 278 S N 0.632 116.319 115.700 -0.022 0.000 2.526 278 S HA 0.368 4.836 4.470 -0.004 0.000 0.220 278 S C 0.370 174.983 174.600 0.021 0.000 1.017 278 S CA 0.071 58.277 58.200 0.010 0.000 0.930 278 S CB 0.764 63.966 63.200 0.003 0.000 0.856 278 S HN 0.645 nan 8.310 nan 0.000 0.497 279 V N -0.290 119.633 119.914 0.015 0.000 2.962 279 V HA 0.589 4.707 4.120 -0.004 0.000 0.313 279 V C 1.102 177.234 176.094 0.064 0.000 1.099 279 V CA -0.411 61.910 62.300 0.034 0.000 0.971 279 V CB 1.148 32.988 31.823 0.028 0.000 1.028 279 V HN 0.211 nan 8.190 nan 0.000 0.430 280 T N -0.997 113.599 114.554 0.069 0.000 2.821 280 T HA 0.006 4.353 4.350 -0.004 0.000 0.267 280 T C 0.801 175.572 174.700 0.119 0.000 1.046 280 T CA 1.656 63.813 62.100 0.095 0.000 1.139 280 T CB -0.354 68.549 68.868 0.058 0.000 0.871 280 T HN 0.766 nan 8.240 nan 0.000 0.454 281 N N 1.269 120.016 118.700 0.079 0.000 2.690 281 N HA 0.537 5.274 4.740 -0.004 0.000 0.255 281 N C -0.855 174.705 175.510 0.084 0.000 1.195 281 N CA -0.315 52.791 53.050 0.093 0.000 0.790 281 N CB 1.077 39.552 38.487 -0.019 0.000 1.216 281 N HN 0.558 nan 8.380 nan 0.000 0.528 282 A N 1.534 124.409 122.820 0.091 0.000 2.565 282 A HA 0.211 4.529 4.320 -0.004 0.000 0.237 282 A C 0.340 177.986 177.584 0.102 0.000 1.053 282 A CA 0.488 52.570 52.037 0.075 0.000 0.755 282 A CB -0.143 18.881 19.000 0.040 0.000 0.980 282 A HN 0.507 nan 8.150 nan 0.000 0.506 283 T N 2.809 117.430 114.554 0.111 0.000 2.794 283 T HA 0.308 4.656 4.350 -0.004 0.000 0.296 283 T C 0.416 175.214 174.700 0.164 0.000 0.949 283 T CA 0.093 62.270 62.100 0.127 0.000 1.101 283 T CB 0.633 69.579 68.868 0.129 0.000 0.905 283 T HN 0.540 nan 8.240 nan 0.000 0.516 284 S N 4.129 119.919 115.700 0.151 0.000 2.400 284 S HA 0.256 4.723 4.470 -0.004 0.000 0.295 284 S C 0.421 175.176 174.600 0.258 0.000 1.113 284 S CA -0.728 57.576 58.200 0.175 0.000 1.064 284 S CB -0.204 63.029 63.200 0.056 0.000 0.990 284 S HN 0.429 nan 8.310 nan 0.000 0.502 285 I N 3.822 124.539 120.570 0.246 0.000 2.396 285 I HA 0.176 4.344 4.170 -0.004 0.000 0.289 285 I C 0.769 176.972 176.117 0.142 0.000 1.056 285 I CA -0.014 61.432 61.300 0.243 0.000 1.365 285 I CB 0.262 38.478 38.000 0.361 0.000 1.407 285 I HN 0.623 nan 8.210 nan 0.000 0.509 286 Q N 6.163 126.019 119.800 0.094 0.000 2.293 286 Q HA 0.467 4.804 4.340 -0.004 0.000 0.251 286 Q C -1.005 174.924 176.000 -0.118 0.000 0.930 286 Q CA -0.395 55.276 55.803 -0.220 0.000 0.893 286 Q CB 1.227 29.778 28.738 -0.312 0.000 1.215 286 Q HN 0.553 nan 8.270 nan 0.000 0.425 287 I N 3.910 124.399 120.570 -0.136 0.000 2.390 287 I HA 0.187 4.355 4.170 -0.004 0.000 0.283 287 I C 0.099 176.210 176.117 -0.010 0.000 1.016 287 I CA -0.698 60.605 61.300 0.005 0.000 1.151 287 I CB 1.578 39.634 38.000 0.094 0.000 1.293 287 I HN 0.676 nan 8.210 nan 0.000 0.458 288 T N 2.948 117.456 114.554 -0.076 0.000 2.913 288 T HA 0.595 4.943 4.350 -0.004 0.000 0.297 288 T C 0.492 175.000 174.700 -0.319 0.000 1.029 288 T CA -0.799 61.200 62.100 -0.168 0.000 1.104 288 T CB 1.526 70.293 68.868 -0.169 0.000 0.964 288 T HN 0.575 nan 8.240 nan 0.000 0.532 289 A N 3.922 126.333 122.820 -0.682 0.000 2.406 289 A HA 0.519 4.837 4.320 -0.004 0.000 0.243 289 A C -1.697 175.406 177.584 -0.801 0.000 1.082 289 A CA -1.370 49.833 52.037 -1.390 0.000 0.786 289 A CB -0.698 17.193 19.000 -1.847 0.000 1.029 289 A HN 0.825 nan 8.150 nan 0.000 0.495 290 P HA 0.190 nan 4.420 nan 0.000 0.272 290 P C 0.695 177.781 177.300 -0.356 0.000 1.230 290 P CA 0.484 63.342 63.100 -0.404 0.000 0.788 290 P CB 0.920 32.447 31.700 -0.290 0.000 0.949 291 A N 2.467 125.151 122.820 -0.228 0.000 1.948 291 A HA -0.207 4.111 4.320 -0.004 0.000 0.220 291 A C 2.207 179.686 177.584 -0.175 0.000 1.177 291 A CA 2.492 54.419 52.037 -0.184 0.000 0.636 291 A CB -1.845 17.081 19.000 -0.124 0.000 0.815 291 A HN 0.683 nan 8.150 nan 0.000 0.449 292 S N -1.446 114.169 115.700 -0.142 0.000 2.500 292 S HA -0.074 4.394 4.470 -0.004 0.000 0.239 292 S C 1.627 176.147 174.600 -0.133 0.000 0.989 292 S CA 1.525 59.665 58.200 -0.100 0.000 0.951 292 S CB -0.256 62.956 63.200 0.020 0.000 0.759 292 S HN 0.427 nan 8.310 nan 0.000 0.523 293 M N 0.467 119.916 119.600 -0.252 0.000 2.615 293 M HA 0.381 4.858 4.480 -0.004 0.000 0.262 293 M C 1.799 177.832 176.300 -0.443 0.000 1.198 293 M CA 0.541 55.626 55.300 -0.357 0.000 1.165 293 M CB -0.939 31.291 32.600 -0.616 0.000 1.310 293 M HN 0.309 nan 8.290 nan 0.000 0.494 294 L N 1.137 122.104 121.223 -0.426 0.000 2.456 294 L HA -0.097 4.241 4.340 -0.004 0.000 0.224 294 L C 2.316 179.119 176.870 -0.113 0.000 1.148 294 L CA 0.532 55.211 54.840 -0.270 0.000 0.825 294 L CB -0.878 41.035 42.059 -0.242 0.000 0.937 294 L HN 0.306 nan 8.230 nan 0.000 0.450 295 I N -2.491 118.012 120.570 -0.111 0.000 2.614 295 I HA 0.096 4.263 4.170 -0.004 0.000 0.258 295 I C 1.089 177.185 176.117 -0.034 0.000 1.189 295 I CA 0.787 62.045 61.300 -0.070 0.000 1.462 295 I CB -0.469 37.482 38.000 -0.082 0.000 1.092 295 I HN 0.104 nan 8.210 nan 0.000 0.442 296 G N 0.214 109.011 108.800 -0.005 0.000 2.870 296 G HA2 0.311 4.269 3.960 -0.004 0.000 0.299 296 G HA3 0.311 4.269 3.960 -0.004 0.000 0.299 296 G C -1.728 173.229 174.900 0.095 0.000 1.324 296 G CA -0.544 44.568 45.100 0.020 0.000 0.808 296 G HN 0.037 nan 8.290 nan 0.000 0.535 297 D N 1.073 121.478 120.400 0.009 0.000 2.443 297 D HA 0.395 5.033 4.640 -0.004 0.000 0.239 297 D C 0.377 176.613 176.300 -0.106 0.000 1.136 297 D CA 0.671 54.613 54.000 -0.096 0.000 0.879 297 D CB 0.572 41.276 40.800 -0.160 0.000 1.195 297 D HN 0.542 nan 8.370 nan 0.000 0.443 298 H N -1.025 117.901 119.070 -0.240 0.000 2.928 298 H HA 0.475 5.029 4.556 -0.004 0.000 0.285 298 H C -1.339 173.834 175.328 -0.258 0.000 1.438 298 H CA -0.798 55.111 56.048 -0.232 0.000 1.176 298 H CB 0.448 30.213 29.762 0.005 0.000 1.864 298 H HN 0.317 nan 8.280 nan 0.000 0.567 299 Y N -0.176 120.349 120.300 0.375 0.000 2.562 299 Y HA 0.390 4.938 4.550 -0.004 0.000 0.345 299 Y C -0.553 175.629 175.900 0.470 0.000 1.045 299 Y CA -1.093 57.237 58.100 0.382 0.000 1.028 299 Y CB 2.024 40.562 38.460 0.131 0.000 1.297 299 Y HN 0.481 nan 8.280 nan 0.000 0.463 300 L N 3.133 124.727 121.223 0.618 0.000 2.265 300 L HA 0.420 4.758 4.340 -0.004 0.000 0.288 300 L C 0.427 177.376 176.870 0.131 0.000 1.058 300 L CA -0.266 54.610 54.840 0.060 0.000 0.809 300 L CB 0.404 42.406 42.059 -0.094 0.000 1.179 300 L HN 0.979 nan 8.230 nan 0.000 0.429 301 C N 1.390 120.627 119.300 -0.105 0.000 3.336 301 C HA 0.522 4.979 4.460 -0.004 0.000 0.291 301 C C 0.124 174.982 174.990 -0.220 0.000 1.363 301 C CA -0.427 58.455 59.018 -0.227 0.000 1.737 301 C CB -0.786 26.869 27.740 -0.142 0.000 2.274 301 C HN 0.850 nan 8.230 nan 0.000 0.663 302 D N 0.243 120.543 120.400 -0.166 0.000 2.836 302 D HA 0.410 5.047 4.640 -0.004 0.000 0.215 302 D C -1.862 174.179 176.300 -0.432 0.000 1.255 302 D CA 0.121 54.038 54.000 -0.137 0.000 0.822 302 D CB 2.694 43.391 40.800 -0.171 0.000 1.656 302 D HN 0.057 nan 8.370 nan 0.000 0.511 303 V N 2.474 122.053 119.914 -0.558 0.000 2.525 303 V HA 0.588 4.706 4.120 -0.004 0.000 0.299 303 V C -0.434 175.234 176.094 -0.710 0.000 1.034 303 V CA -0.392 61.311 62.300 -0.995 0.000 0.863 303 V CB 1.946 32.586 31.823 -1.972 0.000 0.999 303 V HN 0.648 nan 8.190 nan 0.000 0.423 304 T N 3.435 117.656 114.554 -0.556 0.000 3.143 304 T HA 0.342 4.690 4.350 -0.004 0.000 0.312 304 T C -0.911 173.611 174.700 -0.297 0.000 0.986 304 T CA -0.474 61.465 62.100 -0.269 0.000 1.024 304 T CB 0.799 69.608 68.868 -0.099 0.000 1.030 304 T HN 0.525 nan 8.240 nan 0.000 0.448 305 W N 2.041 123.257 121.300 -0.140 0.000 2.216 305 W HA 0.484 5.141 4.660 -0.004 0.000 0.326 305 W C 1.144 177.500 176.519 -0.273 0.000 1.319 305 W CA -0.324 56.933 57.345 -0.146 0.000 1.213 305 W CB 0.620 30.088 29.460 0.013 0.000 1.171 305 W HN 0.846 nan 8.180 nan 0.000 0.557 306 A N 1.895 124.584 122.820 -0.218 0.000 1.963 306 A HA 0.219 4.536 4.320 -0.004 0.000 0.207 306 A C 0.843 178.385 177.584 -0.071 0.000 1.243 306 A CA 1.489 53.166 52.037 -0.599 0.000 0.728 306 A CB -0.303 17.921 19.000 -1.294 0.000 0.895 306 A HN 0.535 nan 8.150 nan 0.000 0.467 307 T N -5.592 109.025 114.554 0.105 0.000 2.647 307 T HA 0.335 4.682 4.350 -0.004 0.000 0.295 307 T C 0.035 174.889 174.700 0.258 0.000 1.126 307 T CA -0.379 61.821 62.100 0.166 0.000 1.040 307 T CB 0.651 69.607 68.868 0.147 0.000 1.472 307 T HN -0.058 nan 8.240 nan 0.000 0.500 308 Q N 0.400 120.318 119.800 0.196 0.000 2.364 308 Q HA 0.027 4.365 4.340 -0.004 0.000 0.209 308 Q C 0.632 176.875 176.000 0.406 0.000 0.977 308 Q CA 1.382 57.303 55.803 0.197 0.000 0.885 308 Q CB -0.119 28.699 28.738 0.133 0.000 0.941 308 Q HN 0.835 nan 8.270 nan 0.000 0.464 309 E N -0.149 120.301 120.200 0.418 0.000 3.029 309 E HA 0.225 4.572 4.350 -0.004 0.000 0.196 309 E C -0.334 176.532 176.600 0.442 0.000 0.973 309 E CA -0.168 56.506 56.400 0.458 0.000 1.242 309 E CB 1.022 30.893 29.700 0.285 0.000 1.056 309 E HN -0.037 nan 8.360 nan 0.000 0.469 310 R N 1.689 122.499 120.500 0.516 0.000 2.515 310 R HA 0.496 4.834 4.340 -0.004 0.000 0.291 310 R C -1.790 174.591 176.300 0.136 0.000 1.046 310 R CA -0.425 55.861 56.100 0.310 0.000 0.914 310 R CB 1.353 31.717 30.300 0.107 0.000 1.191 310 R HN 0.118 nan 8.270 nan 0.000 0.435 311 I N 3.084 123.582 120.570 -0.121 0.000 2.646 311 I HA 0.492 4.660 4.170 -0.004 0.000 0.299 311 I C -0.887 174.935 176.117 -0.492 0.000 1.036 311 I CA -0.523 60.402 61.300 -0.625 0.000 1.074 311 I CB 2.224 39.392 38.000 -1.387 0.000 1.258 311 I HN 0.844 nan 8.210 nan 0.000 0.430 312 S N 7.532 122.907 115.700 -0.542 0.000 2.503 312 S HA 0.790 5.258 4.470 -0.004 0.000 0.301 312 S C -1.077 173.202 174.600 -0.535 0.000 1.087 312 S CA -0.703 57.257 58.200 -0.401 0.000 1.042 312 S CB 1.666 64.738 63.200 -0.213 0.000 1.043 312 S HN 0.574 nan 8.310 nan 0.000 0.489 313 L N 1.817 122.747 121.223 -0.489 0.000 2.431 313 L HA 0.540 4.878 4.340 -0.004 0.000 0.266 313 L C -0.592 175.975 176.870 -0.505 0.000 0.978 313 L CA -0.660 53.776 54.840 -0.674 0.000 0.822 313 L CB 2.337 43.870 42.059 -0.875 0.000 1.310 313 L HN 0.696 nan 8.230 nan 0.000 0.409 314 Q N 1.644 121.108 119.800 -0.560 0.000 2.333 314 Q HA 0.455 4.793 4.340 -0.004 0.000 0.267 314 Q C -1.759 174.013 176.000 -0.379 0.000 1.012 314 Q CA -0.577 55.030 55.803 -0.326 0.000 0.824 314 Q CB 2.479 31.084 28.738 -0.222 0.000 1.290 314 Q HN 0.407 nan 8.270 nan 0.000 0.449 315 W N 2.508 123.768 121.300 -0.068 0.000 2.689 315 W HA 0.619 5.277 4.660 -0.004 0.000 0.340 315 W C -0.905 175.650 176.519 0.060 0.000 1.060 315 W CA -0.699 56.655 57.345 0.015 0.000 1.218 315 W CB 1.101 30.550 29.460 -0.018 0.000 1.410 315 W HN 0.384 nan 8.180 nan 0.000 0.528 316 L N 2.788 124.242 121.223 0.386 0.000 2.410 316 L HA 0.579 4.917 4.340 -0.004 0.000 0.270 316 L C -0.182 176.887 176.870 0.331 0.000 0.983 316 L CA -1.193 53.834 54.840 0.311 0.000 0.822 316 L CB 1.317 43.536 42.059 0.267 0.000 1.285 316 L HN 0.416 nan 8.230 nan 0.000 0.409 317 R N 2.593 123.248 120.500 0.259 0.000 2.641 317 R HA 0.220 4.557 4.340 -0.004 0.000 0.269 317 R C 1.028 177.387 176.300 0.099 0.000 1.074 317 R CA -0.135 56.062 56.100 0.163 0.000 1.133 317 R CB 0.591 30.974 30.300 0.137 0.000 1.029 317 R HN 0.671 nan 8.270 nan 0.000 0.488 318 R N 1.471 121.931 120.500 -0.065 0.000 2.139 318 R HA -0.108 4.230 4.340 -0.004 0.000 0.243 318 R C 0.374 176.720 176.300 0.077 0.000 1.145 318 R CA 1.213 57.256 56.100 -0.095 0.000 0.976 318 R CB 0.143 30.346 30.300 -0.162 0.000 0.866 318 R HN 0.383 nan 8.270 nan 0.000 0.449 319 I N 2.825 123.430 120.570 0.059 0.000 2.278 319 I HA 0.012 4.179 4.170 -0.004 0.000 0.296 319 I C 0.197 176.375 176.117 0.103 0.000 1.121 319 I CA 0.296 61.635 61.300 0.065 0.000 1.267 319 I CB 0.815 38.839 38.000 0.040 0.000 1.447 319 I HN 0.261 nan 8.210 nan 0.000 0.509 320 Q N 4.568 124.431 119.800 0.105 0.000 2.185 320 Q HA -0.087 4.250 4.340 -0.004 0.000 0.179 320 Q C 0.618 176.697 176.000 0.132 0.000 0.810 320 Q CA 0.171 56.048 55.803 0.123 0.000 1.021 320 Q CB -0.370 28.401 28.738 0.055 0.000 1.244 320 Q HN 0.612 nan 8.270 nan 0.000 0.404 321 N N -0.855 117.927 118.700 0.137 0.000 2.238 321 N HA -0.027 4.711 4.740 -0.004 0.000 0.235 321 N C -1.165 174.458 175.510 0.187 0.000 1.209 321 N CA -0.254 52.868 53.050 0.120 0.000 0.879 321 N CB 0.374 38.907 38.487 0.076 0.000 1.136 321 N HN 0.197 nan 8.380 nan 0.000 0.517 322 Y N 1.238 121.566 120.300 0.048 0.000 2.323 322 Y HA 0.477 5.025 4.550 -0.004 0.000 0.322 322 Y C -1.232 174.708 175.900 0.066 0.000 1.133 322 Y CA -0.788 57.339 58.100 0.045 0.000 1.093 322 Y CB 1.332 39.810 38.460 0.030 0.000 1.203 322 Y HN 0.168 nan 8.280 nan 0.000 0.427 323 S N 3.999 119.598 115.700 -0.168 0.000 2.568 323 S HA 0.939 5.407 4.470 -0.004 0.000 0.293 323 S C -1.726 172.777 174.600 -0.162 0.000 1.089 323 S CA -0.787 57.383 58.200 -0.050 0.000 0.945 323 S CB 2.130 65.329 63.200 -0.002 0.000 1.077 323 S HN 0.416 nan 8.310 nan 0.000 0.485 324 V N 2.674 122.589 119.914 0.002 0.000 2.709 324 V HA 0.548 4.665 4.120 -0.004 0.000 0.308 324 V C -0.583 175.555 176.094 0.073 0.000 1.062 324 V CA -0.663 61.642 62.300 0.008 0.000 0.901 324 V CB 1.900 33.754 31.823 0.051 0.000 1.003 324 V HN 1.030 nan 8.190 nan 0.000 0.425 325 M N 3.600 123.211 119.600 0.019 0.000 2.205 325 M HA 0.534 5.011 4.480 -0.004 0.000 0.344 325 M C -1.482 174.838 176.300 0.033 0.000 1.085 325 M CA -0.350 54.936 55.300 -0.022 0.000 1.001 325 M CB 1.268 33.785 32.600 -0.137 0.000 1.626 325 M HN 0.615 nan 8.290 nan 0.000 0.442 326 D N 5.130 125.544 120.400 0.024 0.000 2.185 326 D HA 0.537 5.175 4.640 -0.004 0.000 0.247 326 D C -0.971 175.310 176.300 -0.032 0.000 1.027 326 D CA -0.047 53.970 54.000 0.028 0.000 0.861 326 D CB 1.942 42.782 40.800 0.067 0.000 1.202 326 D HN 0.597 nan 8.370 nan 0.000 0.453 327 I N 2.228 122.806 120.570 0.013 0.000 2.382 327 I HA 0.285 4.453 4.170 -0.004 0.000 0.286 327 I C -0.595 175.537 176.117 0.026 0.000 1.002 327 I CA -0.571 60.730 61.300 0.001 0.000 1.135 327 I CB 1.314 39.368 38.000 0.090 0.000 1.288 327 I HN 0.179 nan 8.210 nan 0.000 0.448 328 c N 3.892 122.504 118.600 0.020 0.000 2.379 328 c HA 0.548 5.115 4.570 -0.004 0.000 0.323 328 c C -0.322 173.934 174.090 0.277 0.000 1.262 328 c CA -0.770 55.643 56.329 0.139 0.000 1.581 328 c CB 0.974 43.580 42.510 0.159 0.000 2.221 328 c HN 0.580 nan 8.230 nan 0.000 0.497 329 D N 0.303 120.815 120.400 0.187 0.000 2.185 329 D HA 0.319 4.956 4.640 -0.004 0.000 0.247 329 D C -0.653 175.492 176.300 -0.258 0.000 1.027 329 D CA -0.218 53.819 54.000 0.062 0.000 0.861 329 D CB 0.832 41.640 40.800 0.012 0.000 1.202 329 D HN 0.577 nan 8.370 nan 0.000 0.453 330 Y N 1.203 121.023 120.300 -0.800 0.000 2.402 330 Y HA 0.178 4.726 4.550 -0.004 0.000 0.333 330 Y C -0.145 175.431 175.900 -0.539 0.000 1.076 330 Y CA -0.403 56.939 58.100 -1.264 0.000 1.299 330 Y CB 0.707 38.421 38.460 -1.244 0.000 1.197 330 Y HN 0.253 nan 8.280 nan 0.000 0.517 331 D N 4.896 124.644 120.400 -1.087 0.000 2.485 331 D HA 0.094 4.731 4.640 -0.004 0.000 0.221 331 D C 0.948 176.691 176.300 -0.929 0.000 1.112 331 D CA -0.077 53.494 54.000 -0.715 0.000 0.911 331 D CB 0.524 41.061 40.800 -0.438 0.000 1.019 331 D HN 0.792 nan 8.370 nan 0.000 0.516 332 E N 1.677 121.462 120.200 -0.692 0.000 2.187 332 E HA -0.259 4.089 4.350 -0.004 0.000 0.199 332 E C 1.517 178.000 176.600 -0.194 0.000 1.004 332 E CA 1.640 57.831 56.400 -0.347 0.000 0.813 332 E CB 0.240 29.929 29.700 -0.019 0.000 0.736 332 E HN 0.569 nan 8.360 nan 0.000 0.468 333 S N -0.651 114.937 115.700 -0.186 0.000 2.395 333 S HA -0.097 4.371 4.470 -0.004 0.000 0.225 333 S C 1.978 176.517 174.600 -0.102 0.000 1.027 333 S CA 0.990 59.127 58.200 -0.104 0.000 0.965 333 S CB 0.062 63.212 63.200 -0.083 0.000 0.812 333 S HN 0.260 nan 8.310 nan 0.000 0.482 334 S N -0.110 115.492 115.700 -0.163 0.000 2.539 334 S HA 0.482 4.949 4.470 -0.004 0.000 0.221 334 S C 1.499 176.032 174.600 -0.111 0.000 0.987 334 S CA 0.376 58.508 58.200 -0.114 0.000 0.929 334 S CB -0.336 62.799 63.200 -0.108 0.000 0.832 334 S HN 1.356 nan 8.310 nan 0.000 0.492 335 G N 2.125 110.797 108.800 -0.213 0.000 2.269 335 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.277 335 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.277 335 G C 0.141 175.033 174.900 -0.014 0.000 1.008 335 G CA 0.397 45.462 45.100 -0.059 0.000 0.774 335 G HN 0.507 nan 8.290 nan 0.000 0.511 336 R N -1.760 118.609 120.500 -0.218 0.000 2.782 336 R HA 0.655 4.992 4.340 -0.004 0.000 0.258 336 R C -0.714 175.445 176.300 -0.235 0.000 1.055 336 R CA -1.050 55.009 56.100 -0.068 0.000 1.065 336 R CB 0.650 30.926 30.300 -0.040 0.000 1.172 336 R HN 0.193 nan 8.270 nan 0.000 0.510 337 W N 0.495 121.789 121.300 -0.010 0.000 2.471 337 W HA 0.408 5.066 4.660 -0.004 0.000 0.318 337 W C -0.314 176.184 176.519 -0.035 0.000 1.034 337 W CA -0.344 56.994 57.345 -0.012 0.000 1.224 337 W CB 1.051 30.512 29.460 0.000 0.000 1.335 337 W HN 0.402 nan 8.180 nan 0.000 0.452 338 N N 2.045 120.803 118.700 0.096 0.000 2.321 338 N HA 0.577 5.314 4.740 -0.004 0.000 0.299 338 N C -1.510 174.039 175.510 0.064 0.000 1.048 338 N CA -0.664 52.418 53.050 0.052 0.000 0.836 338 N CB 1.330 39.808 38.487 -0.015 0.000 1.269 338 N HN 0.181 nan 8.380 nan 0.000 0.486 339 c N 2.755 121.381 118.600 0.043 0.000 2.258 339 c HA 0.391 4.959 4.570 -0.004 0.000 0.321 339 c C 0.322 174.418 174.090 0.010 0.000 1.168 339 c CA -1.154 55.195 56.329 0.033 0.000 1.531 339 c CB -1.303 41.223 42.510 0.026 0.000 2.095 339 c HN 0.593 nan 8.230 nan 0.000 0.449 340 L N 2.616 123.847 121.223 0.012 0.000 2.455 340 L HA 0.064 4.402 4.340 -0.004 0.000 0.272 340 L C 1.626 178.490 176.870 -0.010 0.000 1.174 340 L CA 0.199 55.038 54.840 -0.001 0.000 0.869 340 L CB 0.564 42.626 42.059 0.005 0.000 1.130 340 L HN 0.651 nan 8.230 nan 0.000 0.474 341 V N 4.121 124.021 119.914 -0.024 0.000 2.720 341 V HA -0.236 3.882 4.120 -0.004 0.000 0.256 341 V C 2.237 178.299 176.094 -0.053 0.000 1.082 341 V CA 2.054 64.332 62.300 -0.038 0.000 1.101 341 V CB -0.006 31.792 31.823 -0.040 0.000 0.693 341 V HN 0.988 nan 8.190 nan 0.000 0.479 342 A N -0.029 122.766 122.820 -0.042 0.000 2.172 342 A HA -0.091 4.227 4.320 -0.004 0.000 0.216 342 A C 2.166 179.709 177.584 -0.069 0.000 1.154 342 A CA 1.429 53.434 52.037 -0.053 0.000 0.701 342 A CB -0.423 18.561 19.000 -0.028 0.000 0.789 342 A HN 0.643 nan 8.150 nan 0.000 0.465 343 R N -0.948 119.531 120.500 -0.034 0.000 2.432 343 R HA 0.157 4.495 4.340 -0.004 0.000 0.260 343 R C 0.464 176.768 176.300 0.007 0.000 0.935 343 R CA -0.153 55.965 56.100 0.031 0.000 1.080 343 R CB 0.246 30.612 30.300 0.111 0.000 1.155 343 R HN 0.593 nan 8.270 nan 0.000 0.531 344 Q N 0.921 120.654 119.800 -0.112 0.000 2.267 344 Q HA 0.108 4.446 4.340 -0.004 0.000 0.255 344 Q C -1.168 174.685 176.000 -0.244 0.000 0.923 344 Q CA -0.258 55.502 55.803 -0.073 0.000 0.925 344 Q CB 0.687 29.391 28.738 -0.056 0.000 1.195 344 Q HN 0.220 nan 8.270 nan 0.000 0.417 345 H N 3.152 122.204 119.070 -0.029 0.000 2.505 345 H HA 0.412 4.966 4.556 -0.004 0.000 0.338 345 H C -0.692 174.590 175.328 -0.076 0.000 1.057 345 H CA -0.465 55.561 56.048 -0.036 0.000 1.202 345 H CB 1.123 30.835 29.762 -0.083 0.000 1.466 345 H HN 0.534 nan 8.280 nan 0.000 0.499 346 I N 2.121 122.698 120.570 0.011 0.000 2.385 346 I HA 0.230 4.398 4.170 -0.004 0.000 0.294 346 I C 0.069 176.126 176.117 -0.101 0.000 0.988 346 I CA -0.186 61.039 61.300 -0.124 0.000 1.265 346 I CB 1.260 39.164 38.000 -0.160 0.000 1.388 346 I HN 0.576 nan 8.210 nan 0.000 0.480 347 E N 8.173 128.256 120.200 -0.195 0.000 2.283 347 E HA 0.484 4.831 4.350 -0.004 0.000 0.258 347 E C -1.193 175.311 176.600 -0.159 0.000 0.893 347 E CA -0.615 55.723 56.400 -0.103 0.000 0.798 347 E CB 1.318 30.992 29.700 -0.042 0.000 1.242 347 E HN 0.608 nan 8.360 nan 0.000 0.414 348 M N 0.992 120.534 119.600 -0.097 0.000 2.691 348 M HA 0.676 5.153 4.480 -0.004 0.000 0.293 348 M C -0.925 175.380 176.300 0.009 0.000 1.259 348 M CA -0.944 54.334 55.300 -0.037 0.000 0.827 348 M CB 2.252 34.871 32.600 0.032 0.000 1.753 348 M HN 0.224 nan 8.290 nan 0.000 0.465 349 S N -0.654 115.059 115.700 0.022 0.000 2.536 349 S HA 0.582 5.050 4.470 -0.004 0.000 0.287 349 S C 0.268 174.864 174.600 -0.008 0.000 1.101 349 S CA 0.032 58.226 58.200 -0.009 0.000 0.950 349 S CB 1.848 65.008 63.200 -0.067 0.000 1.056 349 S HN 0.920 nan 8.310 nan 0.000 0.481 350 T N -0.350 114.197 114.554 -0.012 0.000 3.023 350 T HA 0.059 4.406 4.350 -0.004 0.000 0.249 350 T C 1.519 176.199 174.700 -0.033 0.000 1.050 350 T CA 0.986 63.080 62.100 -0.010 0.000 1.088 350 T CB -0.510 68.358 68.868 0.001 0.000 0.946 350 T HN 0.683 nan 8.240 nan 0.000 0.480 351 T N -1.888 112.639 114.554 -0.044 0.000 3.014 351 T HA 0.603 4.950 4.350 -0.004 0.000 0.250 351 T C 1.134 175.666 174.700 -0.280 0.000 1.060 351 T CA 0.377 62.449 62.100 -0.046 0.000 1.040 351 T CB 0.366 69.281 68.868 0.077 0.000 0.971 351 T HN 0.626 nan 8.240 nan 0.000 0.497 352 G N 0.377 108.820 108.800 -0.594 0.000 2.791 352 G HA2 0.494 4.452 3.960 -0.004 0.000 0.158 352 G HA3 0.494 4.452 3.960 -0.004 0.000 0.158 352 G C -1.643 172.944 174.900 -0.521 0.000 1.193 352 G CA -0.614 43.847 45.100 -1.063 0.000 1.032 352 G HN 0.490 nan 8.290 nan 0.000 0.557 353 W N -0.185 120.838 121.300 -0.461 0.000 2.367 353 W HA 0.765 5.422 4.660 -0.004 0.000 0.369 353 W C -0.456 176.016 176.519 -0.079 0.000 1.276 353 W CA -1.332 55.887 57.345 -0.210 0.000 1.415 353 W CB 0.771 30.083 29.460 -0.246 0.000 1.306 353 W HN 0.259 nan 8.180 nan 0.000 0.669 354 V N 3.125 123.121 119.914 0.137 0.000 2.432 354 V HA 0.679 4.797 4.120 -0.004 0.000 0.275 354 V C 0.754 176.939 176.094 0.151 0.000 1.043 354 V CA 0.500 62.843 62.300 0.071 0.000 0.925 354 V CB 0.033 31.895 31.823 0.065 0.000 0.985 354 V HN 1.266 nan 8.190 nan 0.000 0.466 355 G N 5.291 114.137 108.800 0.078 0.000 2.746 355 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.685 355 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.685 355 G C 0.326 175.338 174.900 0.186 0.000 1.350 355 G CA 0.057 45.232 45.100 0.125 0.000 0.837 355 G HN 0.639 nan 8.290 nan 0.000 0.564 356 R N -0.462 120.137 120.500 0.165 0.000 2.070 356 R HA 0.052 4.390 4.340 -0.004 0.000 0.233 356 R C 1.917 178.246 176.300 0.048 0.000 1.137 356 R CA 2.216 58.377 56.100 0.102 0.000 0.945 356 R CB -0.110 30.256 30.300 0.109 0.000 0.845 356 R HN 0.480 nan 8.270 nan 0.000 0.430 357 F N -0.861 119.245 119.950 0.261 0.000 2.784 357 F HA 0.255 4.779 4.527 -0.004 0.000 0.323 357 F C 0.211 176.051 175.800 0.066 0.000 1.085 357 F CA -0.442 57.650 58.000 0.153 0.000 1.196 357 F CB 0.782 39.863 39.000 0.134 0.000 1.053 357 F HN -0.070 nan 8.300 nan 0.000 0.578 358 R N -1.733 118.917 120.500 0.250 0.000 2.828 358 R HA 0.350 4.688 4.340 -0.004 0.000 0.280 358 R C -3.373 172.997 176.300 0.116 0.000 1.020 358 R CA -1.802 54.373 56.100 0.125 0.000 0.855 358 R CB -0.171 30.150 30.300 0.035 0.000 1.278 358 R HN -0.366 nan 8.270 nan 0.000 0.495 359 P HA -0.019 nan 4.420 nan 0.000 0.264 359 P C -0.266 177.062 177.300 0.047 0.000 1.183 359 P CA 0.117 63.245 63.100 0.046 0.000 0.763 359 P CB 0.734 32.435 31.700 0.002 0.000 0.807 360 S N 1.953 117.694 115.700 0.068 0.000 2.600 360 S HA 0.150 4.618 4.470 -0.004 0.000 0.265 360 S C 0.176 174.800 174.600 0.039 0.000 1.325 360 S CA -0.689 57.566 58.200 0.091 0.000 1.002 360 S CB 0.409 63.688 63.200 0.131 0.000 0.921 360 S HN 0.533 nan 8.310 nan 0.000 0.554 361 E N 1.310 121.545 120.200 0.059 0.000 2.283 361 E HA 0.381 4.729 4.350 -0.004 0.000 0.278 361 E C -2.781 173.784 176.600 -0.060 0.000 1.027 361 E CA -2.313 54.067 56.400 -0.032 0.000 0.843 361 E CB 0.588 30.265 29.700 -0.037 0.000 1.062 361 E HN 0.455 nan 8.360 nan 0.000 0.401 362 P HA 0.197 nan 4.420 nan 0.000 0.277 362 P C -0.716 176.448 177.300 -0.227 0.000 1.240 362 P CA -0.225 62.721 63.100 -0.256 0.000 0.798 362 P CB 0.727 31.940 31.700 -0.812 0.000 0.979 363 H N 2.028 121.125 119.070 0.044 0.000 2.762 363 H HA 0.291 4.845 4.556 -0.004 0.000 0.310 363 H C -0.316 175.162 175.328 0.250 0.000 1.004 363 H CA -0.320 55.854 56.048 0.211 0.000 1.267 363 H CB 0.297 30.203 29.762 0.240 0.000 1.437 363 H HN 0.294 nan 8.280 nan 0.000 0.498 364 F N 1.773 121.919 119.950 0.328 0.000 2.389 364 F HA 0.092 4.617 4.527 -0.004 0.000 0.337 364 F C 1.578 177.579 175.800 0.336 0.000 1.112 364 F CA -0.520 57.683 58.000 0.339 0.000 1.192 364 F CB 0.935 40.066 39.000 0.218 0.000 1.185 364 F HN 0.339 nan 8.300 nan 0.000 0.552 365 T N 0.468 115.332 114.554 0.517 0.000 2.860 365 T HA 0.132 4.480 4.350 -0.004 0.000 0.299 365 T C 1.165 176.063 174.700 0.330 0.000 1.045 365 T CA -0.813 61.525 62.100 0.396 0.000 1.071 365 T CB 0.816 69.902 68.868 0.364 0.000 0.985 365 T HN 0.568 nan 8.240 nan 0.000 0.537 366 L N 1.530 122.901 121.223 0.246 0.000 2.010 366 L HA -0.179 4.158 4.340 -0.004 0.000 0.219 366 L C 2.110 179.091 176.870 0.186 0.000 1.077 366 L CA 2.609 57.567 54.840 0.196 0.000 0.773 366 L CB -1.163 40.986 42.059 0.150 0.000 0.892 366 L HN 0.980 nan 8.230 nan 0.000 0.436 367 D N -1.286 119.225 120.400 0.184 0.000 2.378 367 D HA 0.054 4.692 4.640 -0.004 0.000 0.227 367 D C 1.586 177.998 176.300 0.187 0.000 1.012 367 D CA 0.764 54.862 54.000 0.164 0.000 0.905 367 D CB -0.748 40.138 40.800 0.143 0.000 0.895 367 D HN 0.501 nan 8.370 nan 0.000 0.532 368 G N 0.578 109.528 108.800 0.250 0.000 2.187 368 G HA2 -0.367 3.591 3.960 -0.004 0.000 0.261 368 G HA3 -0.367 3.591 3.960 -0.004 0.000 0.261 368 G C 0.888 175.993 174.900 0.341 0.000 1.000 368 G CA 0.475 45.750 45.100 0.291 0.000 0.718 368 G HN 0.406 nan 8.290 nan 0.000 0.519 369 N N -0.085 118.789 118.700 0.290 0.000 2.299 369 N HA 0.188 4.925 4.740 -0.004 0.000 0.187 369 N C 0.920 176.553 175.510 0.204 0.000 1.099 369 N CA 1.070 54.258 53.050 0.231 0.000 0.867 369 N CB 0.543 39.121 38.487 0.152 0.000 0.974 369 N HN 0.903 nan 8.380 nan 0.000 0.477 370 S N -0.398 115.450 115.700 0.246 0.000 2.596 370 S HA 0.764 5.232 4.470 -0.004 0.000 0.270 370 S C -1.027 173.629 174.600 0.095 0.000 1.155 370 S CA -0.953 57.251 58.200 0.007 0.000 0.827 370 S CB 1.724 64.854 63.200 -0.116 0.000 1.130 370 S HN 0.105 nan 8.310 nan 0.000 0.467 371 F N -1.855 117.922 119.950 -0.289 0.000 2.713 371 F HA 0.813 5.338 4.527 -0.004 0.000 0.311 371 F C -2.266 173.353 175.800 -0.303 0.000 1.141 371 F CA -1.541 56.236 58.000 -0.373 0.000 0.939 371 F CB 0.581 38.913 39.000 -1.114 0.000 1.325 371 F HN 0.595 nan 8.300 nan 0.000 0.453 372 Y N 1.322 121.779 120.300 0.262 0.000 2.377 372 Y HA 0.683 5.230 4.550 -0.004 0.000 0.339 372 Y C -0.132 175.950 175.900 0.303 0.000 1.011 372 Y CA -0.825 57.418 58.100 0.238 0.000 1.093 372 Y CB 2.058 40.610 38.460 0.153 0.000 1.201 372 Y HN 0.705 nan 8.280 nan 0.000 0.455 373 K N 3.004 123.645 120.400 0.402 0.000 2.502 373 K HA 0.594 4.912 4.320 -0.004 0.000 0.257 373 K C -1.621 175.135 176.600 0.259 0.000 0.938 373 K CA -0.645 55.839 56.287 0.328 0.000 0.819 373 K CB 1.797 34.475 32.500 0.297 0.000 1.333 373 K HN 0.707 nan 8.250 nan 0.000 0.434 374 I N 5.863 126.560 120.570 0.212 0.000 2.342 374 I HA 0.350 4.518 4.170 -0.004 0.000 0.291 374 I C 0.039 176.261 176.117 0.175 0.000 1.010 374 I CA -0.560 60.843 61.300 0.172 0.000 1.308 374 I CB 0.753 38.834 38.000 0.134 0.000 1.400 374 I HN 0.513 nan 8.210 nan 0.000 0.488 375 I N 2.326 123.026 120.570 0.216 0.000 3.006 375 I HA 0.514 4.682 4.170 -0.004 0.000 0.306 375 I C -0.265 175.975 176.117 0.206 0.000 1.250 375 I CA -0.803 60.618 61.300 0.201 0.000 0.996 375 I CB 2.266 40.403 38.000 0.229 0.000 1.261 375 I HN 0.493 nan 8.210 nan 0.000 0.442 376 S N 2.148 117.904 115.700 0.094 0.000 2.545 376 S HA 0.398 4.865 4.470 -0.004 0.000 0.275 376 S C -0.113 174.508 174.600 0.035 0.000 1.299 376 S CA -0.596 57.599 58.200 -0.009 0.000 1.048 376 S CB 0.607 63.731 63.200 -0.126 0.000 0.938 376 S HN 0.820 nan 8.310 nan 0.000 0.496 377 N N 2.452 121.059 118.700 -0.156 0.000 2.381 377 N HA 0.185 4.923 4.740 -0.004 0.000 0.289 377 N C 0.628 176.053 175.510 -0.142 0.000 1.288 377 N CA -0.518 52.342 53.050 -0.316 0.000 0.960 377 N CB -0.353 37.596 38.487 -0.898 0.000 1.116 377 N HN 0.747 nan 8.380 nan 0.000 0.557 378 E N -0.661 119.458 120.200 -0.135 0.000 2.204 378 E HA -0.161 4.187 4.350 -0.004 0.000 0.195 378 E C 0.800 177.352 176.600 -0.081 0.000 0.990 378 E CA 1.110 57.464 56.400 -0.076 0.000 0.821 378 E CB -0.193 29.471 29.700 -0.059 0.000 0.750 378 E HN 0.640 nan 8.360 nan 0.000 0.477 379 E N -0.410 119.740 120.200 -0.083 0.000 2.481 379 E HA 0.041 4.389 4.350 -0.004 0.000 0.195 379 E C 0.944 177.499 176.600 -0.075 0.000 1.047 379 E CA 0.299 56.692 56.400 -0.012 0.000 0.867 379 E CB 0.457 30.216 29.700 0.097 0.000 0.858 379 E HN 0.354 nan 8.360 nan 0.000 0.513 380 G N 0.907 109.612 108.800 -0.158 0.000 2.132 380 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.234 380 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.234 380 G C -0.413 174.193 174.900 -0.490 0.000 0.989 380 G CA -0.143 44.761 45.100 -0.328 0.000 0.676 380 G HN 0.218 nan 8.290 nan 0.000 0.522 381 Y N 0.024 120.187 120.300 -0.228 0.000 2.387 381 Y HA 0.655 5.203 4.550 -0.004 0.000 0.336 381 Y C 1.130 176.842 175.900 -0.313 0.000 1.067 381 Y CA -0.962 56.977 58.100 -0.268 0.000 1.114 381 Y CB 1.098 39.403 38.460 -0.258 0.000 1.208 381 Y HN 0.080 nan 8.280 nan 0.000 0.458 382 R N 3.487 123.838 120.500 -0.248 0.000 2.267 382 R HA 0.295 4.632 4.340 -0.004 0.000 0.319 382 R C -0.771 175.218 176.300 -0.520 0.000 1.067 382 R CA -0.138 55.820 56.100 -0.236 0.000 0.936 382 R CB 0.179 30.408 30.300 -0.118 0.000 1.006 382 R HN 0.661 nan 8.270 nan 0.000 0.452 383 H N 1.635 120.669 119.070 -0.060 0.000 2.941 383 H HA 0.358 4.912 4.556 -0.004 0.000 0.344 383 H C -0.186 175.216 175.328 0.123 0.000 1.235 383 H CA -0.947 55.048 56.048 -0.089 0.000 1.149 383 H CB 1.604 31.196 29.762 -0.284 0.000 1.885 383 H HN 0.317 nan 8.280 nan 0.000 0.558 384 I N 1.283 121.960 120.570 0.179 0.000 2.352 384 I HA 0.072 4.240 4.170 -0.004 0.000 0.290 384 I C 0.314 176.499 176.117 0.114 0.000 1.036 384 I CA 0.017 61.388 61.300 0.118 0.000 1.336 384 I CB 0.423 38.406 38.000 -0.029 0.000 1.407 384 I HN 0.126 nan 8.210 nan 0.000 0.497 385 c N 7.192 125.774 118.600 -0.030 0.000 2.382 385 c HA 0.421 4.989 4.570 -0.004 0.000 0.327 385 c C -0.373 173.557 174.090 -0.266 0.000 1.250 385 c CA -0.466 55.595 56.329 -0.448 0.000 1.707 385 c CB 0.817 42.780 42.510 -0.912 0.000 2.272 385 c HN 0.637 nan 8.230 nan 0.000 0.506 386 Y N 4.705 124.666 120.300 -0.564 0.000 2.335 386 Y HA 0.646 5.194 4.550 -0.004 0.000 0.339 386 Y C -1.035 174.411 175.900 -0.757 0.000 0.987 386 Y CA -0.962 56.755 58.100 -0.638 0.000 1.140 386 Y CB 0.246 38.428 38.460 -0.464 0.000 1.173 386 Y HN 0.629 nan 8.280 nan 0.000 0.486 387 F N 3.898 123.119 119.950 -1.214 0.000 2.480 387 F HA 0.431 4.956 4.527 -0.004 0.000 0.329 387 F C -0.136 174.907 175.800 -1.262 0.000 1.091 387 F CA -0.897 56.325 58.000 -1.296 0.000 0.972 387 F CB 1.698 39.528 39.000 -1.950 0.000 1.150 387 F HN 0.318 nan 8.300 nan 0.000 0.467 388 Q N 2.358 121.822 119.800 -0.560 0.000 2.257 388 Q HA 0.343 4.680 4.340 -0.004 0.000 0.255 388 Q C 0.930 176.896 176.000 -0.057 0.000 0.920 388 Q CA -0.231 55.373 55.803 -0.331 0.000 0.927 388 Q CB 1.392 29.997 28.738 -0.220 0.000 1.229 388 Q HN 0.691 nan 8.270 nan 0.000 0.433 389 I N -0.443 120.182 120.570 0.091 0.000 2.530 389 I HA -0.119 4.049 4.170 -0.004 0.000 0.257 389 I C 0.382 176.715 176.117 0.361 0.000 1.179 389 I CA 1.416 62.925 61.300 0.349 0.000 1.440 389 I CB -0.025 38.196 38.000 0.369 0.000 1.087 389 I HN 0.444 nan 8.210 nan 0.000 0.440 390 D N 0.790 121.294 120.400 0.173 0.000 2.670 390 D HA 0.239 4.876 4.640 -0.004 0.000 0.255 390 D C -0.209 176.103 176.300 0.020 0.000 1.286 390 D CA -0.366 53.681 54.000 0.079 0.000 0.830 390 D CB 0.088 40.919 40.800 0.050 0.000 1.065 390 D HN 0.399 nan 8.370 nan 0.000 0.486 391 K N 0.427 120.860 120.400 0.054 0.000 2.443 391 K HA 0.283 4.600 4.320 -0.004 0.000 0.252 391 K C 0.485 177.113 176.600 0.048 0.000 0.933 391 K CA -0.836 55.451 56.287 0.001 0.000 0.792 391 K CB 2.353 34.827 32.500 -0.044 0.000 1.185 391 K HN -0.311 nan 8.250 nan 0.000 0.425 392 K N 0.497 120.885 120.400 -0.021 0.000 2.167 392 K HA 0.028 4.346 4.320 -0.004 0.000 0.203 392 K C -0.038 176.584 176.600 0.038 0.000 1.052 392 K CA 0.998 57.298 56.287 0.022 0.000 0.956 392 K CB 0.081 32.556 32.500 -0.041 0.000 0.735 392 K HN 0.557 nan 8.250 nan 0.000 0.451 393 D N 1.557 121.918 120.400 -0.066 0.000 2.317 393 D HA 0.049 4.686 4.640 -0.004 0.000 0.252 393 D C 0.433 176.532 176.300 -0.335 0.000 1.174 393 D CA -0.183 53.721 54.000 -0.161 0.000 0.866 393 D CB 0.834 41.558 40.800 -0.127 0.000 1.127 393 D HN 0.180 nan 8.370 nan 0.000 0.467 394 c N 0.886 119.127 118.600 -0.598 0.000 2.354 394 c HA 0.810 5.377 4.570 -0.004 0.000 0.381 394 c C 0.298 173.984 174.090 -0.673 0.000 1.240 394 c CA -0.601 55.149 56.329 -0.965 0.000 2.089 394 c CB 1.081 42.344 42.510 -2.078 0.000 2.234 394 c HN 0.464 nan 8.230 nan 0.000 0.544 395 T N 1.646 115.839 114.554 -0.601 0.000 2.809 395 T HA 0.481 4.828 4.350 -0.004 0.000 0.284 395 T C -0.736 173.739 174.700 -0.374 0.000 0.992 395 T CA 0.148 62.044 62.100 -0.339 0.000 0.957 395 T CB 0.384 69.191 68.868 -0.101 0.000 0.942 395 T HN 0.479 nan 8.240 nan 0.000 0.439 396 F N 3.203 123.032 119.950 -0.202 0.000 2.484 396 F HA 0.269 4.794 4.527 -0.004 0.000 0.360 396 F C 1.628 177.264 175.800 -0.274 0.000 1.101 396 F CA -0.842 57.029 58.000 -0.216 0.000 1.251 396 F CB 0.490 39.365 39.000 -0.208 0.000 1.132 396 F HN 0.577 nan 8.300 nan 0.000 0.570 397 I N -0.639 119.834 120.570 -0.162 0.000 4.018 397 I HA 0.262 4.430 4.170 -0.004 0.000 0.337 397 I C 0.079 176.049 176.117 -0.246 0.000 1.327 397 I CA 0.079 61.097 61.300 -0.470 0.000 1.100 397 I CB 0.064 37.498 38.000 -0.944 0.000 1.025 397 I HN 0.498 nan 8.210 nan 0.000 0.396 398 T N 0.000 114.461 114.554 -0.156 0.000 2.883 398 T HA 0.699 5.047 4.350 -0.004 0.000 0.301 398 T C -0.793 173.524 174.700 -0.638 0.000 1.158 398 T CA -0.663 61.323 62.100 -0.190 0.000 1.007 398 T CB 2.750 71.599 68.868 -0.032 0.000 1.186 398 T HN 0.498 nan 8.240 nan 0.000 0.499 399 K N -0.024 119.817 120.400 -0.932 0.000 2.607 399 K HA 0.787 5.105 4.320 -0.004 0.000 0.287 399 K C -0.484 175.449 176.600 -1.111 0.000 0.996 399 K CA -0.823 54.565 56.287 -1.497 0.000 0.876 399 K CB 1.326 33.370 32.500 -0.760 0.000 1.496 399 K HN 1.655 nan 8.250 nan 0.000 0.415 400 G N -0.075 108.112 108.800 -1.022 0.000 2.351 400 G HA2 0.111 4.069 3.960 -0.004 0.000 0.353 400 G HA3 0.111 4.069 3.960 -0.004 0.000 0.353 400 G C -0.830 173.500 174.900 -0.949 0.000 1.358 400 G CA -0.363 44.294 45.100 -0.739 0.000 0.995 400 G HN 1.023 nan 8.290 nan 0.000 0.611 401 T N -0.402 113.742 114.554 -0.684 0.000 4.098 401 T HA 0.567 4.914 4.350 -0.004 0.000 0.291 401 T C 0.177 174.629 174.700 -0.414 0.000 1.440 401 T CA 0.529 62.030 62.100 -0.998 0.000 1.164 401 T CB -0.972 67.607 68.868 -0.482 0.000 1.313 401 T HN 1.568 nan 8.240 nan 0.000 0.951 402 W N -0.248 120.822 121.300 -0.384 0.000 2.926 402 W HA 0.608 5.265 4.660 -0.004 0.000 0.361 402 W C -1.602 174.893 176.519 -0.041 0.000 1.195 402 W CA -0.965 56.335 57.345 -0.076 0.000 1.177 402 W CB 0.551 29.970 29.460 -0.069 0.000 1.453 402 W HN 0.231 nan 8.180 nan 0.000 0.571 403 E N 0.603 121.001 120.200 0.330 0.000 2.369 403 E HA 0.490 4.838 4.350 -0.004 0.000 0.270 403 E C -1.285 175.444 176.600 0.215 0.000 0.909 403 E CA -1.199 55.189 56.400 -0.020 0.000 0.775 403 E CB 3.290 33.006 29.700 0.026 0.000 1.270 403 E HN 0.161 nan 8.360 nan 0.000 0.445 404 V N 3.120 123.020 119.914 -0.022 0.000 2.461 404 V HA 0.031 4.149 4.120 -0.004 0.000 0.275 404 V C 1.125 177.301 176.094 0.136 0.000 1.047 404 V CA -0.108 62.261 62.300 0.115 0.000 0.955 404 V CB 0.758 32.535 31.823 -0.076 0.000 0.988 404 V HN 0.674 nan 8.190 nan 0.000 0.471 405 I N 3.181 123.859 120.570 0.180 0.000 2.400 405 I HA 0.231 4.398 4.170 -0.004 0.000 0.248 405 I C 1.118 177.346 176.117 0.185 0.000 1.109 405 I CA 1.243 62.639 61.300 0.159 0.000 1.425 405 I CB -0.779 37.257 38.000 0.060 0.000 1.094 405 I HN 0.755 nan 8.210 nan 0.000 0.425 406 G N 0.490 109.404 108.800 0.191 0.000 2.579 406 G HA2 0.516 4.474 3.960 -0.004 0.000 0.292 406 G HA3 0.516 4.474 3.960 -0.004 0.000 0.292 406 G C -1.301 173.704 174.900 0.175 0.000 1.484 406 G CA -0.592 44.621 45.100 0.188 0.000 0.813 406 G HN -0.043 nan 8.290 nan 0.000 0.515 407 I N 1.568 122.188 120.570 0.082 0.000 2.325 407 I HA 0.255 4.423 4.170 -0.004 0.000 0.291 407 I C 0.674 176.747 176.117 -0.073 0.000 1.019 407 I CA -0.615 60.632 61.300 -0.089 0.000 1.302 407 I CB 1.784 39.483 38.000 -0.501 0.000 1.401 407 I HN 0.499 nan 8.210 nan 0.000 0.485 408 E N 4.822 125.037 120.200 0.026 0.000 2.201 408 E HA 0.297 4.645 4.350 -0.004 0.000 0.193 408 E C 0.226 176.777 176.600 -0.081 0.000 0.957 408 E CA 0.321 56.771 56.400 0.083 0.000 0.858 408 E CB 0.597 30.437 29.700 0.234 0.000 0.816 408 E HN 0.684 nan 8.360 nan 0.000 0.475 409 A N 0.423 123.101 122.820 -0.236 0.000 2.604 409 A HA 0.614 4.931 4.320 -0.004 0.000 0.295 409 A C -1.963 175.541 177.584 -0.133 0.000 1.067 409 A CA -0.632 51.187 52.037 -0.364 0.000 0.683 409 A CB 1.299 19.576 19.000 -1.204 0.000 1.281 409 A HN 0.043 nan 8.150 nan 0.000 0.407 410 L N 1.482 122.667 121.223 -0.063 0.000 2.482 410 L HA 0.757 5.094 4.340 -0.004 0.000 0.269 410 L C 0.094 176.993 176.870 0.048 0.000 0.967 410 L CA 0.447 55.289 54.840 0.003 0.000 0.851 410 L CB 1.953 44.044 42.059 0.054 0.000 1.242 410 L HN 1.170 nan 8.230 nan 0.000 0.404 411 T N -0.218 114.381 114.554 0.075 0.000 2.927 411 T HA 0.417 4.764 4.350 -0.004 0.000 0.286 411 T C 1.109 175.849 174.700 0.067 0.000 1.040 411 T CA 0.035 62.191 62.100 0.093 0.000 1.010 411 T CB 1.352 70.313 68.868 0.155 0.000 1.177 411 T HN 0.658 nan 8.240 nan 0.000 0.546 412 S N -0.245 115.495 115.700 0.067 0.000 2.465 412 S HA -0.102 4.366 4.470 -0.004 0.000 0.241 412 S C 0.823 175.407 174.600 -0.027 0.000 1.000 412 S CA 1.113 59.339 58.200 0.043 0.000 0.964 412 S CB -0.463 62.766 63.200 0.049 0.000 0.763 412 S HN 0.753 nan 8.310 nan 0.000 0.512 413 D N -1.026 119.341 120.400 -0.055 0.000 2.455 413 D HA 0.254 4.892 4.640 -0.004 0.000 0.228 413 D C -0.535 175.414 176.300 -0.586 0.000 1.070 413 D CA 0.460 54.293 54.000 -0.278 0.000 0.881 413 D CB 0.380 41.047 40.800 -0.223 0.000 1.087 413 D HN 0.421 nan 8.370 nan 0.000 0.498 414 Y N 0.147 120.378 120.300 -0.115 0.000 2.512 414 Y HA 0.491 5.039 4.550 -0.004 0.000 0.348 414 Y C -0.560 175.150 175.900 -0.316 0.000 0.990 414 Y CA -0.969 56.967 58.100 -0.272 0.000 1.033 414 Y CB 2.596 40.776 38.460 -0.467 0.000 1.259 414 Y HN -0.271 nan 8.280 nan 0.000 0.461 415 L N 3.126 124.208 121.223 -0.236 0.000 2.333 415 L HA 0.613 4.951 4.340 -0.004 0.000 0.280 415 L C -1.855 174.887 176.870 -0.213 0.000 1.004 415 L CA -0.618 54.088 54.840 -0.223 0.000 0.820 415 L CB 0.830 42.669 42.059 -0.367 0.000 1.247 415 L HN 0.600 nan 8.230 nan 0.000 0.416 416 Y N 4.662 124.890 120.300 -0.121 0.000 2.360 416 Y HA 0.591 5.139 4.550 -0.004 0.000 0.337 416 Y C -0.446 175.468 175.900 0.024 0.000 1.039 416 Y CA -0.538 57.498 58.100 -0.107 0.000 1.109 416 Y CB 1.412 39.743 38.460 -0.216 0.000 1.201 416 Y HN 0.527 nan 8.280 nan 0.000 0.458 417 Y N 0.442 120.826 120.300 0.139 0.000 2.638 417 Y HA 0.772 5.320 4.550 -0.004 0.000 0.335 417 Y C -1.936 174.067 175.900 0.171 0.000 1.155 417 Y CA -1.841 56.329 58.100 0.116 0.000 1.046 417 Y CB 1.023 39.527 38.460 0.072 0.000 1.303 417 Y HN 0.311 nan 8.280 nan 0.000 0.460 418 I N 3.172 123.940 120.570 0.329 0.000 2.460 418 I HA 0.647 4.815 4.170 -0.004 0.000 0.298 418 I C 0.020 176.345 176.117 0.347 0.000 0.989 418 I CA -0.288 61.149 61.300 0.228 0.000 1.173 418 I CB 1.460 39.531 38.000 0.119 0.000 1.338 418 I HN 0.913 nan 8.210 nan 0.000 0.456 419 S N 3.656 119.527 115.700 0.285 0.000 2.671 419 S HA 0.483 4.951 4.470 -0.004 0.000 0.277 419 S C -0.396 174.257 174.600 0.088 0.000 1.165 419 S CA -0.782 57.553 58.200 0.226 0.000 0.822 419 S CB 1.899 65.243 63.200 0.239 0.000 1.150 419 S HN 0.572 nan 8.310 nan 0.000 0.479 420 N N -0.561 118.177 118.700 0.064 0.000 2.328 420 N HA 0.157 4.895 4.740 -0.004 0.000 0.247 420 N C 0.522 175.998 175.510 -0.057 0.000 1.165 420 N CA -0.228 52.818 53.050 -0.006 0.000 0.873 420 N CB 0.312 38.786 38.487 -0.021 0.000 1.125 420 N HN 0.819 nan 8.380 nan 0.000 0.513 421 E N -0.055 119.968 120.200 -0.296 0.000 2.072 421 E HA -0.201 4.147 4.350 -0.004 0.000 0.191 421 E C -0.299 176.147 176.600 -0.258 0.000 0.985 421 E CA 0.243 56.227 56.400 -0.693 0.000 0.801 421 E CB -0.107 28.541 29.700 -1.754 0.000 0.750 421 E HN 0.380 nan 8.360 nan 0.000 0.452 422 Y N 2.241 122.433 120.300 -0.179 0.000 2.881 422 Y HA -0.166 4.382 4.550 -0.004 0.000 0.335 422 Y C 0.352 176.208 175.900 -0.074 0.000 1.263 422 Y CA 0.947 58.998 58.100 -0.082 0.000 1.572 422 Y CB 0.064 38.507 38.460 -0.027 0.000 1.237 422 Y HN 0.110 nan 8.280 nan 0.000 0.568 423 K N 3.424 123.555 120.400 -0.448 0.000 3.048 423 K HA -0.260 4.057 4.320 -0.004 0.000 0.274 423 K C 0.893 177.414 176.600 -0.131 0.000 1.098 423 K CA 0.789 56.861 56.287 -0.360 0.000 0.807 423 K CB -1.875 30.343 32.500 -0.470 0.000 1.217 423 K HN 1.277 nan 8.250 nan 0.000 0.477 424 G N 0.605 109.347 108.800 -0.097 0.000 2.258 424 G HA2 -0.336 3.621 3.960 -0.004 0.000 0.274 424 G HA3 -0.336 3.621 3.960 -0.004 0.000 0.274 424 G C 0.048 174.907 174.900 -0.068 0.000 1.021 424 G CA 0.876 45.960 45.100 -0.027 0.000 0.798 424 G HN 0.366 nan 8.290 nan 0.000 0.507 425 M N 1.041 120.536 119.600 -0.174 0.000 2.111 425 M HA 0.227 4.705 4.480 -0.004 0.000 0.351 425 M C -0.797 175.259 176.300 -0.408 0.000 1.214 425 M CA -1.996 53.041 55.300 -0.440 0.000 1.120 425 M CB 1.512 33.935 32.600 -0.294 0.000 1.443 425 M HN -0.056 nan 8.290 nan 0.000 0.429 426 P HA -0.101 nan 4.420 nan 0.000 0.225 426 P C 1.014 178.177 177.300 -0.228 0.000 1.148 426 P CA 1.218 64.150 63.100 -0.281 0.000 0.779 426 P CB 0.131 31.676 31.700 -0.259 0.000 0.780 427 G N -0.619 107.982 108.800 -0.332 0.000 3.042 427 G HA2 0.240 4.198 3.960 -0.004 0.000 0.212 427 G HA3 0.240 4.198 3.960 -0.004 0.000 0.212 427 G C 0.763 175.659 174.900 -0.006 0.000 1.166 427 G CA 0.173 45.209 45.100 -0.107 0.000 0.767 427 G HN 0.435 nan 8.290 nan 0.000 0.546 428 G N -0.302 108.436 108.800 -0.103 0.000 2.488 428 G HA2 0.636 4.594 3.960 -0.004 0.000 0.318 428 G HA3 0.636 4.594 3.960 -0.004 0.000 0.318 428 G C -0.778 173.983 174.900 -0.231 0.000 1.188 428 G CA -0.747 44.314 45.100 -0.066 0.000 0.944 428 G HN 0.087 nan 8.290 nan 0.000 0.495 429 R N 0.869 121.197 120.500 -0.287 0.000 2.522 429 R HA 0.398 4.735 4.340 -0.004 0.000 0.283 429 R C -1.354 174.904 176.300 -0.070 0.000 1.074 429 R CA -0.778 55.135 56.100 -0.313 0.000 0.925 429 R CB 2.074 31.931 30.300 -0.738 0.000 1.205 429 R HN 0.589 nan 8.270 nan 0.000 0.436 430 N N 1.573 120.257 118.700 -0.025 0.000 2.284 430 N HA 0.354 5.092 4.740 -0.004 0.000 0.289 430 N C -1.296 174.072 175.510 -0.236 0.000 1.179 430 N CA -0.813 52.137 53.050 -0.166 0.000 0.774 430 N CB 2.727 40.999 38.487 -0.359 0.000 1.548 430 N HN 0.268 nan 8.380 nan 0.000 0.473 431 L N 2.192 123.135 121.223 -0.468 0.000 2.276 431 L HA 0.460 4.798 4.340 -0.004 0.000 0.286 431 L C -1.333 175.135 176.870 -0.671 0.000 1.061 431 L CA 0.034 54.636 54.840 -0.397 0.000 0.807 431 L CB -0.084 41.765 42.059 -0.351 0.000 1.177 431 L HN 0.410 nan 8.230 nan 0.000 0.429 432 Y N 3.597 123.560 120.300 -0.560 0.000 2.598 432 Y HA 0.591 5.139 4.550 -0.004 0.000 0.340 432 Y C -0.264 175.300 175.900 -0.560 0.000 1.038 432 Y CA -0.855 56.847 58.100 -0.664 0.000 1.100 432 Y CB 1.609 39.444 38.460 -1.041 0.000 1.281 432 Y HN 0.450 nan 8.280 nan 0.000 0.488 433 K N 2.614 122.860 120.400 -0.258 0.000 2.507 433 K HA 0.577 4.895 4.320 -0.004 0.000 0.252 433 K C -1.924 174.618 176.600 -0.097 0.000 0.943 433 K CA -0.510 55.567 56.287 -0.350 0.000 0.808 433 K CB 1.590 33.817 32.500 -0.455 0.000 1.142 433 K HN 0.794 nan 8.250 nan 0.000 0.426 434 I N 3.087 123.653 120.570 -0.007 0.000 2.474 434 I HA 0.229 4.397 4.170 -0.004 0.000 0.294 434 I C -0.637 175.547 176.117 0.111 0.000 1.005 434 I CA -0.701 60.673 61.300 0.123 0.000 1.113 434 I CB 1.839 39.950 38.000 0.185 0.000 1.289 434 I HN 0.698 nan 8.210 nan 0.000 0.436 435 Q N 6.085 125.939 119.800 0.090 0.000 2.293 435 Q HA 0.208 4.546 4.340 -0.004 0.000 0.263 435 Q C 0.387 176.280 176.000 -0.179 0.000 1.002 435 Q CA -0.199 55.484 55.803 -0.200 0.000 0.910 435 Q CB 1.160 29.831 28.738 -0.113 0.000 1.185 435 Q HN 0.825 nan 8.270 nan 0.000 0.401 436 L N 2.347 123.389 121.223 -0.303 0.000 2.131 436 L HA -0.181 4.157 4.340 -0.004 0.000 0.210 436 L C 2.056 178.751 176.870 -0.292 0.000 1.092 436 L CA 1.472 56.211 54.840 -0.168 0.000 0.759 436 L CB -0.421 41.528 42.059 -0.185 0.000 0.903 436 L HN 0.688 nan 8.230 nan 0.000 0.435 437 S N -2.488 113.027 115.700 -0.310 0.000 2.593 437 S HA -0.012 4.456 4.470 -0.004 0.000 0.217 437 S C 0.322 174.724 174.600 -0.329 0.000 0.966 437 S CA -0.037 57.984 58.200 -0.298 0.000 0.914 437 S CB 0.026 63.101 63.200 -0.209 0.000 0.776 437 S HN 0.386 nan 8.310 nan 0.000 0.523 438 D N -0.160 120.036 120.400 -0.341 0.000 2.474 438 D HA 0.191 4.829 4.640 -0.004 0.000 0.234 438 D C -0.346 175.883 176.300 -0.119 0.000 1.323 438 D CA -0.545 53.304 54.000 -0.253 0.000 0.915 438 D CB -0.237 40.485 40.800 -0.130 0.000 1.487 438 D HN -0.047 nan 8.370 nan 0.000 0.524 439 Y N 0.788 121.065 120.300 -0.039 0.000 2.556 439 Y HA -0.114 4.434 4.550 -0.004 0.000 0.290 439 Y C 2.554 178.458 175.900 0.006 0.000 1.149 439 Y CA 1.596 59.686 58.100 -0.017 0.000 1.329 439 Y CB -0.939 37.514 38.460 -0.012 0.000 0.975 439 Y HN 0.452 nan 8.280 nan 0.000 0.561 440 T N -2.979 111.648 114.554 0.121 0.000 3.113 440 T HA 0.011 4.359 4.350 -0.004 0.000 0.256 440 T C 0.602 175.348 174.700 0.076 0.000 1.131 440 T CA 0.097 62.249 62.100 0.087 0.000 1.074 440 T CB -0.068 68.827 68.868 0.046 0.000 0.944 440 T HN -0.128 nan 8.240 nan 0.000 0.516 441 K N 2.339 122.787 120.400 0.079 0.000 2.300 441 K HA 0.534 4.851 4.320 -0.004 0.000 0.264 441 K C -1.216 175.447 176.600 0.104 0.000 1.083 441 K CA -0.368 55.964 56.287 0.075 0.000 0.958 441 K CB 1.485 34.020 32.500 0.059 0.000 1.318 441 K HN 0.149 nan 8.250 nan 0.000 0.448 442 V N 2.433 122.405 119.914 0.097 0.000 2.487 442 V HA 0.354 4.472 4.120 -0.004 0.000 0.298 442 V C -0.118 176.021 176.094 0.075 0.000 1.028 442 V CA -0.691 61.675 62.300 0.110 0.000 0.860 442 V CB 2.072 33.982 31.823 0.145 0.000 0.991 442 V HN 0.576 nan 8.190 nan 0.000 0.427 443 T N 3.254 117.823 114.554 0.025 0.000 2.829 443 T HA 0.284 4.631 4.350 -0.004 0.000 0.280 443 T C -0.456 174.167 174.700 -0.127 0.000 0.999 443 T CA -0.289 61.782 62.100 -0.048 0.000 0.983 443 T CB 1.430 70.235 68.868 -0.105 0.000 0.968 443 T HN 0.775 nan 8.240 nan 0.000 0.446 444 C N 5.122 124.285 119.300 -0.229 0.000 2.303 444 C HA 0.439 4.897 4.460 -0.004 0.000 0.341 444 C C 1.614 176.286 174.990 -0.530 0.000 1.244 444 C CA -0.613 58.022 59.018 -0.638 0.000 1.765 444 C CB -1.857 25.455 27.740 -0.713 0.000 2.379 444 C HN 0.982 nan 8.230 nan 0.000 0.530 445 L N 4.698 125.578 121.223 -0.572 0.000 2.558 445 L HA 0.084 4.422 4.340 -0.004 0.000 0.225 445 L C 2.001 178.553 176.870 -0.530 0.000 1.128 445 L CA 0.897 55.478 54.840 -0.432 0.000 0.868 445 L CB -0.220 41.640 42.059 -0.332 0.000 1.006 445 L HN 0.911 nan 8.230 nan 0.000 0.454 446 S N -3.783 111.491 115.700 -0.710 0.000 2.651 446 S HA -0.001 4.467 4.470 -0.004 0.000 0.259 446 S C 1.748 175.918 174.600 -0.717 0.000 1.073 446 S CA -0.150 57.527 58.200 -0.873 0.000 1.090 446 S CB -0.275 62.023 63.200 -1.503 0.000 1.042 446 S HN 0.271 nan 8.310 nan 0.000 0.581 447 C N 2.287 121.155 119.300 -0.720 0.000 2.376 447 C HA -0.044 4.414 4.460 -0.004 0.000 0.275 447 C C 2.512 177.204 174.990 -0.497 0.000 1.200 447 C CA 1.640 60.162 59.018 -0.826 0.000 1.756 447 C CB -1.112 25.928 27.740 -1.167 0.000 2.050 447 C HN 0.618 nan 8.230 nan 0.000 0.460 448 E N 0.067 120.064 120.200 -0.337 0.000 2.479 448 E HA 0.155 4.503 4.350 -0.004 0.000 0.193 448 E C 1.929 178.471 176.600 -0.097 0.000 1.049 448 E CA -0.054 56.255 56.400 -0.151 0.000 0.870 448 E CB -0.307 29.326 29.700 -0.113 0.000 0.944 448 E HN 0.556 nan 8.360 nan 0.000 0.492 449 L N 0.300 121.449 121.223 -0.124 0.000 2.043 449 L HA -0.151 4.187 4.340 -0.004 0.000 0.212 449 L C 0.887 177.759 176.870 0.004 0.000 1.075 449 L CA 1.089 55.896 54.840 -0.055 0.000 0.752 449 L CB -0.032 41.995 42.059 -0.054 0.000 0.891 449 L HN 0.172 nan 8.230 nan 0.000 0.432 450 N N -1.777 116.942 118.700 0.032 0.000 3.211 450 N HA 0.043 4.781 4.740 -0.004 0.000 0.183 450 N C -2.068 173.469 175.510 0.046 0.000 1.447 450 N CA -0.663 52.405 53.050 0.031 0.000 0.840 450 N CB 0.560 39.060 38.487 0.023 0.000 1.611 450 N HN -0.176 nan 8.380 nan 0.000 0.610 451 P HA -0.155 nan 4.420 nan 0.000 0.218 451 P C 0.605 177.956 177.300 0.085 0.000 1.146 451 P CA 1.334 64.494 63.100 0.099 0.000 0.813 451 P CB 0.583 32.363 31.700 0.133 0.000 0.778 452 E N -0.563 119.665 120.200 0.047 0.000 2.170 452 E HA -0.069 4.279 4.350 -0.004 0.000 0.191 452 E C 2.340 178.942 176.600 0.004 0.000 0.981 452 E CA 0.389 56.807 56.400 0.029 0.000 0.830 452 E CB -0.095 29.615 29.700 0.016 0.000 0.775 452 E HN 0.261 nan 8.360 nan 0.000 0.470 453 R N -0.005 120.486 120.500 -0.016 0.000 2.225 453 R HA 0.115 4.452 4.340 -0.004 0.000 0.194 453 R C -0.097 176.147 176.300 -0.093 0.000 0.957 453 R CA 0.373 56.436 56.100 -0.060 0.000 1.042 453 R CB 0.606 30.860 30.300 -0.076 0.000 1.004 453 R HN 0.015 nan 8.270 nan 0.000 0.509 454 c N 1.360 119.916 118.600 -0.075 0.000 2.321 454 c HA 0.423 4.990 4.570 -0.004 0.000 0.323 454 c C -0.019 174.023 174.090 -0.080 0.000 1.191 454 c CA -0.658 55.557 56.329 -0.190 0.000 1.455 454 c CB 1.253 43.606 42.510 -0.263 0.000 2.083 454 c HN 0.518 nan 8.230 nan 0.000 0.442 455 Q N 0.516 120.269 119.800 -0.078 0.000 2.103 455 Q HA 0.185 4.522 4.340 -0.004 0.000 0.219 455 Q C -0.952 175.089 176.000 0.068 0.000 0.784 455 Q CA 0.046 55.892 55.803 0.070 0.000 1.014 455 Q CB 1.334 30.145 28.738 0.121 0.000 1.183 455 Q HN 0.785 nan 8.270 nan 0.000 0.469 456 Y N 0.495 120.660 120.300 -0.224 0.000 2.445 456 Y HA 0.358 4.905 4.550 -0.004 0.000 0.332 456 Y C -1.557 174.177 175.900 -0.277 0.000 1.037 456 Y CA -1.089 56.919 58.100 -0.155 0.000 1.296 456 Y CB 0.683 39.074 38.460 -0.115 0.000 1.099 456 Y HN -0.060 nan 8.280 nan 0.000 0.496 457 Y N 1.858 122.111 120.300 -0.077 0.000 2.457 457 Y HA 0.671 5.218 4.550 -0.004 0.000 0.333 457 Y C 0.300 176.178 175.900 -0.037 0.000 1.119 457 Y CA -0.481 57.585 58.100 -0.057 0.000 1.143 457 Y CB 2.311 40.697 38.460 -0.124 0.000 1.230 457 Y HN 0.408 nan 8.280 nan 0.000 0.469 458 S N 1.000 116.821 115.700 0.201 0.000 2.569 458 S HA 0.790 5.258 4.470 -0.004 0.000 0.280 458 S C -1.811 172.878 174.600 0.149 0.000 1.111 458 S CA -0.626 57.669 58.200 0.158 0.000 0.887 458 S CB 1.509 64.808 63.200 0.166 0.000 1.095 458 S HN 0.503 nan 8.310 nan 0.000 0.476 459 V N 2.186 122.178 119.914 0.131 0.000 3.007 459 V HA 0.884 5.001 4.120 -0.004 0.000 0.311 459 V C -0.990 175.179 176.094 0.125 0.000 1.120 459 V CA -0.306 62.039 62.300 0.076 0.000 0.980 459 V CB 2.379 34.179 31.823 -0.038 0.000 1.033 459 V HN 0.808 nan 8.190 nan 0.000 0.429 460 S N 4.716 120.468 115.700 0.088 0.000 2.789 460 S HA 0.644 5.111 4.470 -0.004 0.000 0.286 460 S C -1.184 173.532 174.600 0.194 0.000 1.153 460 S CA -0.393 57.954 58.200 0.245 0.000 1.084 460 S CB 0.263 63.668 63.200 0.342 0.000 1.036 460 S HN 0.495 nan 8.310 nan 0.000 0.484 461 F N 3.052 123.053 119.950 0.084 0.000 2.375 461 F HA 0.430 4.955 4.527 -0.004 0.000 0.333 461 F C 1.469 176.866 175.800 -0.673 0.000 1.104 461 F CA -0.300 57.580 58.000 -0.200 0.000 1.149 461 F CB 1.242 40.108 39.000 -0.224 0.000 1.190 461 F HN 0.598 nan 8.300 nan 0.000 0.533 462 S N 2.057 117.141 115.700 -1.026 0.000 2.617 462 S HA 0.131 4.599 4.470 -0.004 0.000 0.255 462 S C 1.289 175.662 174.600 -0.378 0.000 1.318 462 S CA -0.772 56.597 58.200 -1.385 0.000 0.978 462 S CB 0.623 63.123 63.200 -1.167 0.000 0.961 462 S HN 0.531 nan 8.310 nan 0.000 0.582 463 K N 0.843 121.159 120.400 -0.140 0.000 2.059 463 K HA -0.089 4.228 4.320 -0.004 0.000 0.212 463 K C 1.047 177.649 176.600 0.004 0.000 1.050 463 K CA 1.579 57.868 56.287 0.004 0.000 0.927 463 K CB -0.484 32.051 32.500 0.059 0.000 0.714 463 K HN 0.659 nan 8.250 nan 0.000 0.447 464 E N -0.847 119.348 120.200 -0.009 0.000 2.569 464 E HA 0.245 4.592 4.350 -0.004 0.000 0.205 464 E C -0.034 176.548 176.600 -0.031 0.000 1.006 464 E CA 0.063 56.466 56.400 0.005 0.000 0.985 464 E CB 0.518 30.241 29.700 0.037 0.000 1.060 464 E HN 0.230 nan 8.360 nan 0.000 0.460 465 A N 1.177 123.960 122.820 -0.062 0.000 2.860 465 A HA -0.317 4.000 4.320 -0.004 0.000 0.267 465 A C 1.527 179.103 177.584 -0.014 0.000 1.421 465 A CA 1.635 53.654 52.037 -0.030 0.000 0.831 465 A CB -2.034 16.818 19.000 -0.246 0.000 1.041 465 A HN 0.274 nan 8.150 nan 0.000 0.623 466 K N -1.894 118.445 120.400 -0.101 0.000 2.155 466 K HA 0.075 4.393 4.320 -0.004 0.000 0.203 466 K C 0.092 176.369 176.600 -0.538 0.000 1.052 466 K CA 1.428 57.547 56.287 -0.279 0.000 0.948 466 K CB -0.006 32.335 32.500 -0.265 0.000 0.728 466 K HN 0.684 nan 8.250 nan 0.000 0.448 467 Y N -1.082 119.167 120.300 -0.085 0.000 2.605 467 Y HA 0.323 4.871 4.550 -0.004 0.000 0.343 467 Y C -0.982 174.846 175.900 -0.121 0.000 1.036 467 Y CA -1.339 56.707 58.100 -0.091 0.000 1.065 467 Y CB 1.706 40.128 38.460 -0.064 0.000 1.288 467 Y HN -0.042 nan 8.280 nan 0.000 0.481 468 Y N -1.055 119.210 120.300 -0.059 0.000 2.482 468 Y HA 0.481 5.029 4.550 -0.004 0.000 0.334 468 Y C -1.267 174.626 175.900 -0.012 0.000 1.091 468 Y CA -1.472 56.439 58.100 -0.316 0.000 1.027 468 Y CB 1.365 39.129 38.460 -1.161 0.000 1.306 468 Y HN 0.600 nan 8.280 nan 0.000 0.446 469 Q N 4.179 124.088 119.800 0.181 0.000 2.278 469 Q HA 0.544 4.881 4.340 -0.004 0.000 0.257 469 Q C -1.670 174.411 176.000 0.136 0.000 0.928 469 Q CA -0.649 55.218 55.803 0.106 0.000 0.932 469 Q CB 1.220 29.990 28.738 0.053 0.000 1.221 469 Q HN 0.969 nan 8.270 nan 0.000 0.434 470 L N 4.094 125.420 121.223 0.172 0.000 2.307 470 L HA 0.522 4.859 4.340 -0.004 0.000 0.282 470 L C 0.022 176.979 176.870 0.145 0.000 1.051 470 L CA -0.488 54.462 54.840 0.183 0.000 0.804 470 L CB 1.391 43.562 42.059 0.187 0.000 1.197 470 L HN 0.590 nan 8.230 nan 0.000 0.431 471 R N 3.205 123.784 120.500 0.131 0.000 2.371 471 R HA 0.321 4.658 4.340 -0.004 0.000 0.312 471 R C -1.168 175.026 176.300 -0.177 0.000 0.980 471 R CA -0.469 55.578 56.100 -0.089 0.000 0.867 471 R CB 1.328 31.656 30.300 0.047 0.000 1.163 471 R HN 0.734 nan 8.270 nan 0.000 0.492 472 c N 3.900 122.253 118.600 -0.412 0.000 2.307 472 c HA 0.450 5.018 4.570 -0.004 0.000 0.340 472 c C 1.302 175.144 174.090 -0.414 0.000 1.275 472 c CA -0.265 55.716 56.329 -0.581 0.000 1.811 472 c CB 0.627 42.741 42.510 -0.660 0.000 2.372 472 c HN 0.924 nan 8.230 nan 0.000 0.531 473 S N 3.616 119.163 115.700 -0.256 0.000 2.629 473 S HA 0.599 5.067 4.470 -0.004 0.000 0.236 473 S C 0.395 174.933 174.600 -0.104 0.000 1.010 473 S CA 0.230 58.339 58.200 -0.152 0.000 0.981 473 S CB 0.147 63.295 63.200 -0.088 0.000 0.919 473 S HN 1.812 nan 8.310 nan 0.000 0.514 474 G N 1.700 110.425 108.800 -0.125 0.000 2.338 474 G HA2 0.447 4.405 3.960 -0.004 0.000 0.295 474 G HA3 0.447 4.405 3.960 -0.004 0.000 0.295 474 G C -3.088 171.779 174.900 -0.055 0.000 1.461 474 G CA -0.679 44.390 45.100 -0.050 0.000 0.817 474 G HN -0.132 nan 8.290 nan 0.000 0.556 475 P HA 0.155 nan 4.420 nan 0.000 0.241 475 P C 1.171 178.482 177.300 0.018 0.000 1.191 475 P CA 1.030 64.153 63.100 0.039 0.000 0.771 475 P CB 0.639 32.365 31.700 0.044 0.000 0.929 476 G N 0.383 109.115 108.800 -0.112 0.000 2.543 476 G HA2 0.424 4.381 3.960 -0.004 0.000 0.267 476 G HA3 0.424 4.381 3.960 -0.004 0.000 0.267 476 G C -0.414 174.170 174.900 -0.526 0.000 1.406 476 G CA -0.776 44.167 45.100 -0.262 0.000 1.048 476 G HN 0.035 nan 8.290 nan 0.000 0.548 477 L N 1.467 122.336 121.223 -0.590 0.000 2.453 477 L HA 0.174 4.512 4.340 -0.004 0.000 0.272 477 L C -1.863 174.808 176.870 -0.331 0.000 1.182 477 L CA -1.272 53.198 54.840 -0.617 0.000 0.858 477 L CB 0.965 42.774 42.059 -0.416 0.000 1.120 477 L HN 0.232 nan 8.230 nan 0.000 0.474 478 P HA -0.013 nan 4.420 nan 0.000 0.264 478 P C -0.948 176.215 177.300 -0.227 0.000 1.179 478 P CA 0.060 63.026 63.100 -0.223 0.000 0.763 478 P CB 0.508 32.160 31.700 -0.081 0.000 0.806 479 L N 5.224 126.217 121.223 -0.384 0.000 2.409 479 L HA 0.482 4.820 4.340 -0.004 0.000 0.272 479 L C -1.756 174.874 176.870 -0.399 0.000 0.980 479 L CA -0.720 53.968 54.840 -0.254 0.000 0.826 479 L CB 0.961 42.922 42.059 -0.163 0.000 1.268 479 L HN 0.219 nan 8.230 nan 0.000 0.407 480 Y N 2.695 122.944 120.300 -0.085 0.000 2.335 480 Y HA 0.742 5.290 4.550 -0.004 0.000 0.338 480 Y C 0.474 176.247 175.900 -0.211 0.000 0.977 480 Y CA -0.581 57.442 58.100 -0.128 0.000 1.114 480 Y CB 2.010 40.365 38.460 -0.175 0.000 1.182 480 Y HN 0.669 nan 8.280 nan 0.000 0.463 481 T N 0.875 115.397 114.554 -0.053 0.000 2.906 481 T HA 0.685 5.033 4.350 -0.004 0.000 0.295 481 T C -1.456 173.061 174.700 -0.306 0.000 1.061 481 T CA -0.873 61.106 62.100 -0.202 0.000 1.000 481 T CB 1.900 70.686 68.868 -0.136 0.000 1.103 481 T HN 0.403 nan 8.240 nan 0.000 0.486 482 L N 2.434 123.360 121.223 -0.496 0.000 2.317 482 L HA 0.599 4.936 4.340 -0.004 0.000 0.281 482 L C -0.670 175.781 176.870 -0.699 0.000 1.024 482 L CA -0.262 54.326 54.840 -0.420 0.000 0.810 482 L CB 0.909 42.800 42.059 -0.281 0.000 1.240 482 L HN 0.802 nan 8.230 nan 0.000 0.427 483 H N 1.770 120.600 119.070 -0.400 0.000 2.865 483 H HA 0.372 4.925 4.556 -0.004 0.000 0.372 483 H C -1.046 174.048 175.328 -0.391 0.000 1.173 483 H CA -0.825 54.889 56.048 -0.556 0.000 1.147 483 H CB 2.234 31.320 29.762 -1.127 0.000 1.805 483 H HN 0.500 nan 8.280 nan 0.000 0.553 484 S N 0.427 116.064 115.700 -0.104 0.000 2.442 484 S HA 0.156 4.624 4.470 -0.004 0.000 0.297 484 S C 0.767 175.344 174.600 -0.039 0.000 1.131 484 S CA -0.566 57.601 58.200 -0.056 0.000 1.092 484 S CB 0.737 63.938 63.200 0.002 0.000 0.998 484 S HN 0.602 nan 8.310 nan 0.000 0.478 485 S N 3.842 119.524 115.700 -0.030 0.000 2.406 485 S HA -0.091 4.376 4.470 -0.004 0.000 0.228 485 S C 1.944 176.566 174.600 0.038 0.000 1.020 485 S CA 0.917 59.202 58.200 0.141 0.000 0.965 485 S CB -0.306 62.966 63.200 0.119 0.000 0.798 485 S HN 0.703 nan 8.310 nan 0.000 0.488 486 V N 3.802 123.686 119.914 -0.050 0.000 2.469 486 V HA -0.183 3.934 4.120 -0.004 0.000 0.251 486 V C 1.152 177.236 176.094 -0.016 0.000 1.064 486 V CA 2.238 64.518 62.300 -0.032 0.000 1.066 486 V CB -0.536 31.254 31.823 -0.054 0.000 0.667 486 V HN 0.842 nan 8.190 nan 0.000 0.461 487 N N -3.229 115.464 118.700 -0.012 0.000 2.116 487 N HA 0.068 4.806 4.740 -0.004 0.000 0.230 487 N C -0.280 175.231 175.510 0.001 0.000 1.326 487 N CA 0.275 53.320 53.050 -0.009 0.000 0.867 487 N CB 0.558 39.042 38.487 -0.005 0.000 1.174 487 N HN 0.273 nan 8.380 nan 0.000 0.506 488 D N 0.980 121.400 120.400 0.034 0.000 2.792 488 D HA -0.133 4.504 4.640 -0.004 0.000 0.231 488 D C -0.540 175.780 176.300 0.033 0.000 1.160 488 D CA 1.173 55.213 54.000 0.067 0.000 0.697 488 D CB -0.399 40.420 40.800 0.032 0.000 1.070 488 D HN 0.443 nan 8.370 nan 0.000 0.426 489 K N 0.135 120.550 120.400 0.025 0.000 2.118 489 K HA 0.490 4.807 4.320 -0.004 0.000 0.267 489 K C 0.902 177.530 176.600 0.047 0.000 0.991 489 K CA -0.479 55.824 56.287 0.027 0.000 0.916 489 K CB 1.300 33.803 32.500 0.005 0.000 1.041 489 K HN 0.094 nan 8.250 nan 0.000 0.455 490 G N 2.475 111.304 108.800 0.048 0.000 2.356 490 G HA2 0.191 4.149 3.960 -0.004 0.000 0.273 490 G HA3 0.191 4.149 3.960 -0.004 0.000 0.273 490 G C 0.978 175.775 174.900 -0.172 0.000 1.213 490 G CA -0.328 44.709 45.100 -0.104 0.000 0.955 490 G HN 0.514 nan 8.290 nan 0.000 0.454 491 L N 1.925 122.990 121.223 -0.262 0.000 2.095 491 L HA 0.252 4.589 4.340 -0.004 0.000 0.204 491 L C 1.665 178.438 176.870 -0.161 0.000 1.080 491 L CA 0.939 55.682 54.840 -0.161 0.000 0.759 491 L CB -0.217 41.760 42.059 -0.136 0.000 0.914 491 L HN 0.799 nan 8.230 nan 0.000 0.439 492 R N -2.442 117.915 120.500 -0.238 0.000 3.012 492 R HA 0.311 4.649 4.340 -0.004 0.000 0.287 492 R C -1.727 174.430 176.300 -0.239 0.000 0.990 492 R CA -0.929 55.059 56.100 -0.187 0.000 0.839 492 R CB 0.974 31.194 30.300 -0.133 0.000 1.317 492 R HN -0.286 nan 8.270 nan 0.000 0.518 493 V N 2.641 122.447 119.914 -0.180 0.000 2.432 493 V HA 0.219 4.337 4.120 -0.004 0.000 0.275 493 V C 1.256 177.210 176.094 -0.233 0.000 1.043 493 V CA -0.436 61.758 62.300 -0.177 0.000 0.925 493 V CB 1.212 32.972 31.823 -0.104 0.000 0.985 493 V HN 0.636 nan 8.190 nan 0.000 0.466 494 L N 2.452 123.468 121.223 -0.344 0.000 2.253 494 L HA 0.314 4.652 4.340 -0.004 0.000 0.205 494 L C 0.675 177.331 176.870 -0.357 0.000 1.078 494 L CA 0.663 55.130 54.840 -0.623 0.000 0.805 494 L CB 0.271 41.557 42.059 -1.289 0.000 0.963 494 L HN 0.711 nan 8.230 nan 0.000 0.459 495 E N -0.149 119.971 120.200 -0.133 0.000 2.406 495 E HA 0.064 4.412 4.350 -0.004 0.000 0.297 495 E C -1.017 175.654 176.600 0.119 0.000 0.917 495 E CA -0.276 56.155 56.400 0.053 0.000 0.795 495 E CB 1.038 30.806 29.700 0.113 0.000 1.285 495 E HN 0.150 nan 8.360 nan 0.000 0.400 496 D N 3.481 123.918 120.400 0.063 0.000 2.433 496 D HA 0.090 4.728 4.640 -0.004 0.000 0.211 496 D C -0.255 176.061 176.300 0.027 0.000 1.114 496 D CA -0.151 53.868 54.000 0.031 0.000 0.837 496 D CB -0.003 40.794 40.800 -0.004 0.000 0.984 496 D HN 0.478 nan 8.370 nan 0.000 0.505 497 N N 0.612 119.348 118.700 0.061 0.000 2.747 497 N HA -0.206 4.532 4.740 -0.004 0.000 0.249 497 N C 1.089 176.613 175.510 0.024 0.000 1.107 497 N CA 0.888 53.969 53.050 0.051 0.000 0.707 497 N CB -1.477 37.031 38.487 0.035 0.000 1.054 497 N HN 0.469 nan 8.380 nan 0.000 0.555 498 S N -0.861 114.853 115.700 0.024 0.000 2.370 498 S HA -0.115 4.353 4.470 -0.004 0.000 0.226 498 S C 2.134 176.753 174.600 0.032 0.000 1.033 498 S CA 1.238 59.449 58.200 0.017 0.000 1.011 498 S CB -0.295 62.916 63.200 0.018 0.000 0.852 498 S HN 0.521 nan 8.310 nan 0.000 0.457 499 A N 2.432 125.281 122.820 0.048 0.000 1.859 499 A HA -0.051 4.266 4.320 -0.004 0.000 0.217 499 A C 2.297 179.928 177.584 0.079 0.000 1.198 499 A CA 1.895 53.969 52.037 0.062 0.000 0.629 499 A CB -1.160 17.881 19.000 0.068 0.000 0.830 499 A HN 0.565 nan 8.150 nan 0.000 0.446 500 L N 0.398 121.673 121.223 0.088 0.000 1.989 500 L HA -0.195 4.143 4.340 -0.004 0.000 0.211 500 L C 2.024 178.937 176.870 0.072 0.000 1.071 500 L CA 2.999 57.908 54.840 0.115 0.000 0.749 500 L CB -0.945 41.185 42.059 0.120 0.000 0.890 500 L HN 0.548 nan 8.230 nan 0.000 0.431 501 D N -0.819 119.595 120.400 0.023 0.000 2.172 501 D HA -0.282 4.356 4.640 -0.004 0.000 0.196 501 D C 2.177 178.486 176.300 0.015 0.000 0.999 501 D CA 1.418 55.413 54.000 -0.008 0.000 0.856 501 D CB -0.113 40.670 40.800 -0.029 0.000 0.934 501 D HN 0.188 nan 8.370 nan 0.000 0.453 502 K N 0.051 120.473 120.400 0.036 0.000 2.002 502 K HA -0.130 4.188 4.320 -0.004 0.000 0.209 502 K C 2.189 178.828 176.600 0.066 0.000 1.048 502 K CA 1.218 57.532 56.287 0.045 0.000 0.930 502 K CB -0.421 32.108 32.500 0.050 0.000 0.714 502 K HN 0.324 nan 8.250 nan 0.000 0.438 503 M N 0.618 120.281 119.600 0.105 0.000 2.086 503 M HA -0.145 4.333 4.480 -0.004 0.000 0.261 503 M C 2.165 178.513 176.300 0.081 0.000 1.067 503 M CA 1.374 56.775 55.300 0.168 0.000 1.116 503 M CB -0.295 32.499 32.600 0.323 0.000 1.348 503 M HN 0.034 nan 8.290 nan 0.000 0.407 504 L N 0.164 121.384 121.223 -0.004 0.000 2.549 504 L HA -0.194 4.144 4.340 -0.004 0.000 0.230 504 L C 2.496 179.335 176.870 -0.051 0.000 1.162 504 L CA 0.446 55.221 54.840 -0.108 0.000 0.834 504 L CB -0.677 41.337 42.059 -0.075 0.000 0.947 504 L HN 0.412 nan 8.230 nan 0.000 0.452 505 Q N 0.215 120.012 119.800 -0.004 0.000 2.119 505 Q HA -0.081 4.256 4.340 -0.004 0.000 0.201 505 Q C 1.190 177.203 176.000 0.020 0.000 0.972 505 Q CA 1.010 56.818 55.803 0.009 0.000 0.847 505 Q CB -0.225 28.526 28.738 0.021 0.000 0.903 505 Q HN 0.634 nan 8.270 nan 0.000 0.433 506 N N 0.546 119.268 118.700 0.036 0.000 2.362 506 N HA 0.072 4.810 4.740 -0.004 0.000 0.211 506 N C -0.400 175.141 175.510 0.053 0.000 1.170 506 N CA 0.134 53.217 53.050 0.055 0.000 0.828 506 N CB 1.006 39.541 38.487 0.081 0.000 1.034 506 N HN -0.047 nan 8.380 nan 0.000 0.475 507 V N 0.777 120.698 119.914 0.011 0.000 2.709 507 V HA 0.189 4.307 4.120 -0.004 0.000 0.308 507 V C -0.076 176.016 176.094 -0.005 0.000 1.062 507 V CA -0.923 61.377 62.300 -0.000 0.000 0.901 507 V CB 2.688 34.443 31.823 -0.113 0.000 1.003 507 V HN 0.027 nan 8.190 nan 0.000 0.425 508 Q N 4.262 124.074 119.800 0.020 0.000 2.452 508 Q HA 0.352 4.689 4.340 -0.004 0.000 0.230 508 Q C -0.546 175.428 176.000 -0.045 0.000 1.180 508 Q CA -0.216 55.575 55.803 -0.020 0.000 0.914 508 Q CB 0.496 29.242 28.738 0.013 0.000 1.408 508 Q HN 0.512 nan 8.270 nan 0.000 0.520 509 M N 3.908 123.464 119.600 -0.074 0.000 2.274 509 M HA 0.358 4.836 4.480 -0.004 0.000 0.344 509 M C -1.942 174.283 176.300 -0.125 0.000 1.161 509 M CA -2.515 52.730 55.300 -0.093 0.000 1.126 509 M CB 0.176 32.728 32.600 -0.079 0.000 1.522 509 M HN 0.310 nan 8.290 nan 0.000 0.461 510 P HA 0.232 nan 4.420 nan 0.000 0.276 510 P C -0.768 176.436 177.300 -0.159 0.000 1.261 510 P CA -0.333 62.664 63.100 -0.172 0.000 0.800 510 P CB 0.641 32.224 31.700 -0.196 0.000 1.066 511 S N -0.599 114.993 115.700 -0.179 0.000 2.664 511 S HA 0.607 5.074 4.470 -0.004 0.000 0.304 511 S C -0.517 173.980 174.600 -0.171 0.000 1.099 511 S CA -0.778 57.333 58.200 -0.147 0.000 1.003 511 S CB 1.805 64.922 63.200 -0.137 0.000 1.092 511 S HN 0.529 nan 8.310 nan 0.000 0.525 512 K N 0.578 120.906 120.400 -0.119 0.000 2.345 512 K HA 0.441 4.759 4.320 -0.004 0.000 0.255 512 K C -1.344 175.202 176.600 -0.089 0.000 0.934 512 K CA -0.580 55.641 56.287 -0.110 0.000 0.801 512 K CB 1.355 33.813 32.500 -0.070 0.000 1.137 512 K HN 0.693 nan 8.250 nan 0.000 0.424 513 K N 5.154 125.493 120.400 -0.101 0.000 2.413 513 K HA 0.310 4.628 4.320 -0.004 0.000 0.257 513 K C -1.720 174.834 176.600 -0.076 0.000 0.946 513 K CA -0.853 55.385 56.287 -0.083 0.000 0.823 513 K CB 1.138 33.575 32.500 -0.105 0.000 1.109 513 K HN 0.504 nan 8.250 nan 0.000 0.427 514 L N 4.173 125.372 121.223 -0.040 0.000 2.319 514 L HA 0.517 4.854 4.340 -0.004 0.000 0.281 514 L C -1.105 175.764 176.870 -0.001 0.000 1.005 514 L CA 0.192 55.038 54.840 0.010 0.000 0.828 514 L CB 1.256 43.393 42.059 0.130 0.000 1.227 514 L HN 0.766 nan 8.230 nan 0.000 0.415 515 D N 2.885 123.110 120.400 -0.292 0.000 2.946 515 D HA 0.546 5.184 4.640 -0.004 0.000 0.337 515 D C -1.544 174.382 176.300 -0.623 0.000 1.332 515 D CA -0.023 53.719 54.000 -0.430 0.000 0.935 515 D CB 1.480 41.997 40.800 -0.471 0.000 1.440 515 D HN 0.226 nan 8.370 nan 0.000 0.540 516 F N -0.374 119.246 119.950 -0.549 0.000 2.643 516 F HA 0.733 5.258 4.527 -0.004 0.000 0.314 516 F C -0.909 174.965 175.800 0.123 0.000 1.096 516 F CA -1.133 56.666 58.000 -0.334 0.000 0.953 516 F CB 0.916 39.251 39.000 -1.108 0.000 1.345 516 F HN 0.305 nan 8.300 nan 0.000 0.468 517 I N -0.058 120.777 120.570 0.441 0.000 2.785 517 I HA 0.680 4.848 4.170 -0.004 0.000 0.302 517 I C -1.439 174.908 176.117 0.382 0.000 1.069 517 I CA -1.196 60.289 61.300 0.308 0.000 1.045 517 I CB 2.484 40.617 38.000 0.221 0.000 1.236 517 I HN 0.647 nan 8.210 nan 0.000 0.429 518 I N 5.137 125.869 120.570 0.269 0.000 2.321 518 I HA 0.425 4.593 4.170 -0.004 0.000 0.291 518 I C -0.799 175.450 176.117 0.219 0.000 0.998 518 I CA -0.513 60.924 61.300 0.229 0.000 1.227 518 I CB 1.489 39.588 38.000 0.165 0.000 1.368 518 I HN 0.380 nan 8.210 nan 0.000 0.466 519 L N 6.614 128.022 121.223 0.308 0.000 2.376 519 L HA 0.441 4.778 4.340 -0.004 0.000 0.275 519 L C -0.272 176.751 176.870 0.254 0.000 0.987 519 L CA -0.815 54.202 54.840 0.294 0.000 0.828 519 L CB 1.515 43.809 42.059 0.392 0.000 1.249 519 L HN 0.580 nan 8.230 nan 0.000 0.409 520 N N 2.586 121.370 118.700 0.141 0.000 2.727 520 N HA -0.207 4.531 4.740 -0.004 0.000 0.249 520 N C 0.134 175.681 175.510 0.061 0.000 1.048 520 N CA 1.148 54.254 53.050 0.093 0.000 0.714 520 N CB -0.841 37.707 38.487 0.101 0.000 0.959 520 N HN 0.776 nan 8.380 nan 0.000 0.544 521 E N -4.636 115.592 120.200 0.047 0.000 3.916 521 E HA -0.220 4.128 4.350 -0.004 0.000 0.331 521 E C -0.373 176.206 176.600 -0.035 0.000 0.729 521 E CA 1.644 58.051 56.400 0.012 0.000 1.222 521 E CB -1.853 27.849 29.700 0.004 0.000 1.633 521 E HN 0.580 nan 8.360 nan 0.000 0.437 522 T N 1.120 115.636 114.554 -0.064 0.000 2.823 522 T HA 0.441 4.789 4.350 -0.004 0.000 0.279 522 T C 0.239 174.698 174.700 -0.402 0.000 0.998 522 T CA -0.629 61.310 62.100 -0.269 0.000 0.994 522 T CB 1.743 70.373 68.868 -0.397 0.000 0.960 522 T HN -0.041 nan 8.240 nan 0.000 0.448 523 K N 2.013 122.151 120.400 -0.436 0.000 2.249 523 K HA 0.466 4.784 4.320 -0.004 0.000 0.280 523 K C -1.025 175.276 176.600 -0.498 0.000 1.033 523 K CA -0.094 55.972 56.287 -0.368 0.000 0.946 523 K CB 0.610 32.804 32.500 -0.510 0.000 1.005 523 K HN 0.469 nan 8.250 nan 0.000 0.469 524 F N 2.045 122.070 119.950 0.124 0.000 2.539 524 F HA 0.273 4.798 4.527 -0.004 0.000 0.328 524 F C -0.638 175.279 175.800 0.194 0.000 1.148 524 F CA -0.986 57.108 58.000 0.157 0.000 0.940 524 F CB 0.999 40.141 39.000 0.236 0.000 1.194 524 F HN 0.431 nan 8.300 nan 0.000 0.438 525 W N 3.701 125.175 121.300 0.289 0.000 2.237 525 W HA 0.466 5.124 4.660 -0.004 0.000 0.335 525 W C -0.491 176.251 176.519 0.373 0.000 1.230 525 W CA -0.504 57.030 57.345 0.315 0.000 1.253 525 W CB 0.391 29.959 29.460 0.181 0.000 1.129 525 W HN 0.438 nan 8.180 nan 0.000 0.590 526 Y N -0.657 119.970 120.300 0.546 0.000 2.638 526 Y HA 0.611 5.158 4.550 -0.004 0.000 0.335 526 Y C -1.032 175.095 175.900 0.379 0.000 1.155 526 Y CA -1.862 56.556 58.100 0.530 0.000 1.046 526 Y CB 1.061 39.984 38.460 0.771 0.000 1.303 526 Y HN 0.566 nan 8.280 nan 0.000 0.460 527 Q N 2.355 122.376 119.800 0.367 0.000 2.421 527 Q HA 0.792 5.130 4.340 -0.004 0.000 0.280 527 Q C -1.844 174.260 176.000 0.174 0.000 1.085 527 Q CA -1.201 54.694 55.803 0.153 0.000 0.807 527 Q CB 3.392 32.204 28.738 0.123 0.000 1.405 527 Q HN 0.868 nan 8.270 nan 0.000 0.419 528 M N 2.381 122.003 119.600 0.037 0.000 2.326 528 M HA 0.428 4.906 4.480 -0.004 0.000 0.292 528 M C -1.298 174.907 176.300 -0.158 0.000 1.081 528 M CA -0.882 54.375 55.300 -0.072 0.000 0.919 528 M CB 2.282 34.804 32.600 -0.131 0.000 1.634 528 M HN 0.603 nan 8.290 nan 0.000 0.451 529 I N 5.196 125.664 120.570 -0.169 0.000 2.291 529 I HA 0.350 4.518 4.170 -0.004 0.000 0.292 529 I C -0.422 175.511 176.117 -0.307 0.000 1.064 529 I CA -0.236 60.939 61.300 -0.208 0.000 1.269 529 I CB 0.071 37.970 38.000 -0.169 0.000 1.418 529 I HN 0.638 nan 8.210 nan 0.000 0.485 530 L N 8.307 129.291 121.223 -0.399 0.000 2.325 530 L HA 0.473 4.810 4.340 -0.004 0.000 0.279 530 L C -2.191 174.441 176.870 -0.396 0.000 1.054 530 L CA -1.798 52.688 54.840 -0.590 0.000 0.804 530 L CB 1.054 42.557 42.059 -0.927 0.000 1.200 530 L HN 0.257 nan 8.230 nan 0.000 0.436 531 P HA 0.106 nan 4.420 nan 0.000 0.271 531 P C -2.492 174.735 177.300 -0.122 0.000 1.233 531 P CA -0.854 62.140 63.100 -0.177 0.000 0.789 531 P CB -0.067 31.579 31.700 -0.090 0.000 0.951 532 P HA 0.033 nan 4.420 nan 0.000 0.269 532 P C -0.537 176.666 177.300 -0.161 0.000 1.215 532 P CA 0.314 63.259 63.100 -0.258 0.000 0.780 532 P CB -0.250 31.234 31.700 -0.359 0.000 0.898 533 H N -1.991 117.115 119.070 0.060 0.000 2.741 533 H HA -0.233 4.320 4.556 -0.004 0.000 0.305 533 H C 0.114 175.509 175.328 0.112 0.000 1.169 533 H CA -0.288 55.801 56.048 0.070 0.000 1.144 533 H CB -2.301 27.494 29.762 0.055 0.000 1.397 533 H HN 0.299 nan 8.280 nan 0.000 0.409 534 F N 2.207 122.147 119.950 -0.016 0.000 2.642 534 F HA 0.083 4.608 4.527 -0.004 0.000 0.371 534 F C 0.585 176.411 175.800 0.044 0.000 1.120 534 F CA 0.220 58.169 58.000 -0.085 0.000 1.331 534 F CB 0.505 39.343 39.000 -0.270 0.000 1.044 534 F HN 0.301 nan 8.300 nan 0.000 0.594 535 D N 5.084 125.157 120.400 -0.546 0.000 2.473 535 D HA 0.166 4.804 4.640 -0.004 0.000 0.253 535 D C 0.306 176.210 176.300 -0.660 0.000 1.233 535 D CA -0.611 53.130 54.000 -0.432 0.000 0.908 535 D CB 1.093 41.818 40.800 -0.126 0.000 1.170 535 D HN 0.625 nan 8.370 nan 0.000 0.558 536 K N 0.967 120.976 120.400 -0.652 0.000 2.442 536 K HA -0.113 4.205 4.320 -0.004 0.000 0.199 536 K C 1.192 177.773 176.600 -0.031 0.000 1.044 536 K CA 1.103 57.207 56.287 -0.304 0.000 0.941 536 K CB -0.156 32.325 32.500 -0.032 0.000 0.759 536 K HN 0.225 nan 8.250 nan 0.000 0.472 537 S N 0.057 115.706 115.700 -0.084 0.000 2.593 537 S HA 0.084 4.552 4.470 -0.004 0.000 0.217 537 S C 0.257 174.821 174.600 -0.060 0.000 0.966 537 S CA -0.475 57.699 58.200 -0.042 0.000 0.914 537 S CB -0.002 63.167 63.200 -0.052 0.000 0.776 537 S HN 0.201 nan 8.310 nan 0.000 0.523 538 K N 1.025 121.368 120.400 -0.095 0.000 2.185 538 K HA 0.465 4.783 4.320 -0.004 0.000 0.240 538 K C -0.710 175.822 176.600 -0.114 0.000 0.983 538 K CA -0.930 55.239 56.287 -0.198 0.000 0.873 538 K CB 0.741 32.970 32.500 -0.452 0.000 1.118 538 K HN -0.071 nan 8.250 nan 0.000 0.441 539 K N 2.388 122.676 120.400 -0.187 0.000 2.334 539 K HA 0.261 4.578 4.320 -0.004 0.000 0.265 539 K C -0.975 175.538 176.600 -0.145 0.000 1.039 539 K CA -0.311 55.941 56.287 -0.058 0.000 0.920 539 K CB 0.522 32.983 32.500 -0.066 0.000 1.160 539 K HN 0.472 nan 8.250 nan 0.000 0.451 540 Y N 3.203 123.544 120.300 0.070 0.000 2.352 540 Y HA 0.261 4.809 4.550 -0.004 0.000 0.326 540 Y C -1.688 174.163 175.900 -0.081 0.000 1.166 540 Y CA -2.144 55.969 58.100 0.022 0.000 1.182 540 Y CB 0.956 39.490 38.460 0.123 0.000 1.216 540 Y HN 0.431 nan 8.280 nan 0.000 0.474 541 P HA 0.165 nan 4.420 nan 0.000 0.275 541 P C -1.116 176.041 177.300 -0.237 0.000 1.228 541 P CA -0.204 62.635 63.100 -0.435 0.000 0.786 541 P CB 1.592 32.672 31.700 -1.032 0.000 0.927 542 L N 3.025 124.146 121.223 -0.170 0.000 2.362 542 L HA 0.525 4.863 4.340 -0.004 0.000 0.275 542 L C -1.156 175.891 176.870 0.293 0.000 0.998 542 L CA -1.208 53.676 54.840 0.074 0.000 0.820 542 L CB 1.763 43.882 42.059 0.101 0.000 1.270 542 L HN 0.174 nan 8.230 nan 0.000 0.415 543 L N 5.616 127.023 121.223 0.307 0.000 2.325 543 L HA 0.493 4.831 4.340 -0.004 0.000 0.281 543 L C -1.327 175.758 176.870 0.358 0.000 1.004 543 L CA -0.377 54.701 54.840 0.397 0.000 0.823 543 L CB 1.599 43.846 42.059 0.315 0.000 1.236 543 L HN 0.592 nan 8.230 nan 0.000 0.415 544 L N 5.178 126.660 121.223 0.432 0.000 2.261 544 L HA 0.415 4.753 4.340 -0.004 0.000 0.289 544 L C -0.535 176.562 176.870 0.378 0.000 1.059 544 L CA 0.197 55.277 54.840 0.400 0.000 0.816 544 L CB 0.530 42.868 42.059 0.466 0.000 1.191 544 L HN 0.658 nan 8.230 nan 0.000 0.431 545 D N 4.472 125.076 120.400 0.341 0.000 2.339 545 D HA 0.226 4.864 4.640 -0.004 0.000 0.241 545 D C -0.985 175.401 176.300 0.143 0.000 1.183 545 D CA 0.103 54.243 54.000 0.233 0.000 0.859 545 D CB 1.249 42.252 40.800 0.338 0.000 1.067 545 D HN 0.348 nan 8.370 nan 0.000 0.484 546 V N 5.515 125.444 119.914 0.026 0.000 2.680 546 V HA 0.441 4.558 4.120 -0.004 0.000 0.309 546 V C -0.948 175.235 176.094 0.149 0.000 1.052 546 V CA -0.436 61.938 62.300 0.124 0.000 0.908 546 V CB 1.810 33.710 31.823 0.128 0.000 1.001 546 V HN 0.671 nan 8.190 nan 0.000 0.431 547 Y N 5.113 125.489 120.300 0.127 0.000 3.105 547 Y HA 0.543 5.091 4.550 -0.004 0.000 0.216 547 Y C 1.595 177.644 175.900 0.248 0.000 0.943 547 Y CA 1.119 59.320 58.100 0.169 0.000 1.535 547 Y CB 0.319 38.859 38.460 0.133 0.000 1.475 547 Y HN 1.021 nan 8.280 nan 0.000 0.435 548 A N 0.956 123.892 122.820 0.193 0.000 2.861 548 A HA -0.174 4.143 4.320 -0.004 0.000 0.261 548 A C 0.849 178.304 177.584 -0.214 0.000 1.351 548 A CA 0.925 53.018 52.037 0.093 0.000 0.904 548 A CB -2.464 16.647 19.000 0.186 0.000 1.076 548 A HN 0.899 nan 8.150 nan 0.000 0.729 549 G N -0.486 107.976 108.800 -0.565 0.000 2.599 549 G HA2 0.521 4.479 3.960 -0.004 0.000 0.264 549 G HA3 0.521 4.479 3.960 -0.004 0.000 0.264 549 G C -1.898 172.692 174.900 -0.516 0.000 1.200 549 G CA -0.733 43.635 45.100 -1.219 0.000 0.896 549 G HN 0.402 nan 8.290 nan 0.000 0.536 550 P HA 0.011 nan 4.420 nan 0.000 0.263 550 P C 0.619 177.739 177.300 -0.299 0.000 1.195 550 P CA 0.272 63.068 63.100 -0.506 0.000 0.762 550 P CB 0.732 31.729 31.700 -1.171 0.000 0.799 551 C N 2.327 121.525 119.300 -0.170 0.000 4.417 551 C HA -0.148 4.309 4.460 -0.004 0.000 0.284 551 C C 1.110 176.090 174.990 -0.017 0.000 1.379 551 C CA 1.176 60.060 59.018 -0.223 0.000 1.918 551 C CB -2.600 24.831 27.740 -0.514 0.000 1.280 551 C HN 0.834 nan 8.230 nan 0.000 0.783 552 S N -0.053 115.713 115.700 0.110 0.000 2.669 552 S HA 0.622 5.090 4.470 -0.004 0.000 0.270 552 S C -0.615 174.129 174.600 0.240 0.000 1.225 552 S CA 0.217 58.578 58.200 0.267 0.000 0.991 552 S CB 1.655 65.098 63.200 0.405 0.000 0.987 552 S HN 0.878 nan 8.310 nan 0.000 0.552 553 Q N -0.176 119.801 119.800 0.296 0.000 2.334 553 Q HA 0.336 4.673 4.340 -0.004 0.000 0.249 553 Q C -0.884 175.254 176.000 0.231 0.000 0.909 553 Q CA -0.559 55.415 55.803 0.286 0.000 0.823 553 Q CB 1.033 30.015 28.738 0.406 0.000 1.353 553 Q HN 0.691 nan 8.270 nan 0.000 0.433 554 K N 1.099 121.630 120.400 0.219 0.000 2.358 554 K HA 0.343 4.661 4.320 -0.004 0.000 0.200 554 K C -0.442 176.273 176.600 0.191 0.000 1.030 554 K CA 0.292 56.698 56.287 0.198 0.000 1.097 554 K CB 1.520 34.160 32.500 0.234 0.000 0.862 554 K HN 0.493 nan 8.250 nan 0.000 0.534 555 A N 2.615 125.558 122.820 0.205 0.000 2.293 555 A HA 0.445 4.763 4.320 -0.004 0.000 0.312 555 A C -0.835 176.841 177.584 0.154 0.000 1.309 555 A CA -0.571 51.591 52.037 0.209 0.000 0.839 555 A CB 0.242 19.425 19.000 0.305 0.000 1.155 555 A HN 0.236 nan 8.150 nan 0.000 0.501 556 D N -0.119 120.347 120.400 0.108 0.000 2.752 556 D HA 0.441 5.079 4.640 -0.004 0.000 0.313 556 D C 0.371 176.709 176.300 0.062 0.000 1.225 556 D CA 0.271 54.327 54.000 0.094 0.000 0.976 556 D CB 0.378 41.239 40.800 0.102 0.000 1.443 556 D HN 0.176 nan 8.370 nan 0.000 0.515 557 T N -2.161 112.453 114.554 0.100 0.000 3.244 557 T HA 0.349 4.697 4.350 -0.004 0.000 0.254 557 T C 0.251 174.939 174.700 -0.020 0.000 1.024 557 T CA -0.404 61.742 62.100 0.077 0.000 0.920 557 T CB -0.772 68.183 68.868 0.145 0.000 1.042 557 T HN 0.261 nan 8.240 nan 0.000 0.572 558 V N 2.293 122.098 119.914 -0.181 0.000 2.649 558 V HA 0.396 4.514 4.120 -0.004 0.000 0.292 558 V C -0.059 175.993 176.094 -0.068 0.000 1.055 558 V CA -1.084 61.061 62.300 -0.258 0.000 1.023 558 V CB 0.555 32.082 31.823 -0.492 0.000 0.992 558 V HN 0.572 nan 8.190 nan 0.000 0.480 559 F N 6.138 125.991 119.950 -0.161 0.000 2.421 559 F HA 0.571 5.095 4.527 -0.004 0.000 0.358 559 F C 0.466 176.207 175.800 -0.098 0.000 1.115 559 F CA -0.216 57.715 58.000 -0.116 0.000 1.160 559 F CB 0.237 39.176 39.000 -0.102 0.000 1.123 559 F HN 0.429 nan 8.300 nan 0.000 0.508 560 R N 6.389 126.516 120.500 -0.622 0.000 2.750 560 R HA 0.585 4.922 4.340 -0.004 0.000 0.281 560 R C -1.544 174.370 176.300 -0.642 0.000 0.972 560 R CA -1.093 54.728 56.100 -0.464 0.000 0.912 560 R CB 2.178 32.344 30.300 -0.224 0.000 1.187 560 R HN 0.648 nan 8.270 nan 0.000 0.464 561 L N 3.976 124.981 121.223 -0.364 0.000 2.337 561 L HA 0.391 4.729 4.340 -0.004 0.000 0.269 561 L C -0.696 176.138 176.870 -0.061 0.000 1.018 561 L CA -0.664 53.991 54.840 -0.308 0.000 0.876 561 L CB 0.513 42.520 42.059 -0.088 0.000 1.236 561 L HN 0.778 nan 8.230 nan 0.000 0.436 562 N N 0.298 118.881 118.700 -0.194 0.000 3.439 562 N HA 0.170 4.907 4.740 -0.004 0.000 0.343 562 N C 0.249 175.377 175.510 -0.637 0.000 1.597 562 N CA -0.863 52.002 53.050 -0.307 0.000 0.733 562 N CB 0.170 38.597 38.487 -0.100 0.000 1.973 562 N HN 0.291 nan 8.380 nan 0.000 0.646 563 W N 0.580 121.237 121.300 -1.072 0.000 2.342 563 W HA 0.153 4.811 4.660 -0.004 0.000 0.297 563 W C 2.009 178.429 176.519 -0.165 0.000 1.213 563 W CA 2.749 59.683 57.345 -0.686 0.000 1.251 563 W CB -0.962 28.225 29.460 -0.455 0.000 1.136 563 W HN 0.692 nan 8.180 nan 0.000 0.526 564 A N -0.619 122.139 122.820 -0.104 0.000 1.972 564 A HA -0.174 4.144 4.320 -0.004 0.000 0.219 564 A C 1.933 179.384 177.584 -0.222 0.000 1.169 564 A CA 2.288 54.207 52.037 -0.196 0.000 0.635 564 A CB -1.205 17.765 19.000 -0.050 0.000 0.810 564 A HN 0.289 nan 8.150 nan 0.000 0.446 565 T N -1.108 113.318 114.554 -0.214 0.000 2.684 565 T HA -0.209 4.138 4.350 -0.004 0.000 0.267 565 T C 1.818 176.495 174.700 -0.037 0.000 1.036 565 T CA 1.768 63.704 62.100 -0.274 0.000 1.148 565 T CB -0.511 67.969 68.868 -0.646 0.000 0.863 565 T HN 0.681 nan 8.240 nan 0.000 0.436 566 Y N 2.197 122.556 120.300 0.099 0.000 2.114 566 Y HA -0.075 4.473 4.550 -0.004 0.000 0.284 566 Y C 1.991 177.870 175.900 -0.036 0.000 1.143 566 Y CA 1.016 59.233 58.100 0.195 0.000 1.135 566 Y CB -0.847 37.718 38.460 0.175 0.000 0.980 566 Y HN 0.121 nan 8.280 nan 0.000 0.499 567 L N 0.228 121.005 121.223 -0.744 0.000 2.079 567 L HA -0.243 4.095 4.340 -0.004 0.000 0.210 567 L C 2.797 179.398 176.870 -0.448 0.000 1.081 567 L CA 1.396 55.738 54.840 -0.830 0.000 0.752 567 L CB -0.968 40.638 42.059 -0.755 0.000 0.896 567 L HN 0.435 nan 8.230 nan 0.000 0.433 568 A N -1.368 121.267 122.820 -0.308 0.000 1.898 568 A HA -0.150 4.167 4.320 -0.004 0.000 0.214 568 A C 2.506 179.999 177.584 -0.152 0.000 1.183 568 A CA 1.579 53.488 52.037 -0.213 0.000 0.622 568 A CB -0.492 18.379 19.000 -0.216 0.000 0.824 568 A HN 0.328 nan 8.150 nan 0.000 0.444 569 S N -1.122 114.510 115.700 -0.114 0.000 2.357 569 S HA -0.099 4.368 4.470 -0.004 0.000 0.221 569 S C 1.971 176.575 174.600 0.006 0.000 1.031 569 S CA 2.182 60.366 58.200 -0.026 0.000 0.982 569 S CB -0.364 62.878 63.200 0.070 0.000 0.853 569 S HN 0.544 nan 8.310 nan 0.000 0.458 570 T N 1.180 115.719 114.554 -0.025 0.000 2.983 570 T HA 0.188 4.535 4.350 -0.004 0.000 0.250 570 T C 1.250 175.915 174.700 -0.058 0.000 1.037 570 T CA 0.549 62.656 62.100 0.012 0.000 1.142 570 T CB -0.090 68.870 68.868 0.153 0.000 0.876 570 T HN 0.275 nan 8.240 nan 0.000 0.455 571 E N 1.372 121.444 120.200 -0.213 0.000 2.463 571 E HA 0.172 4.519 4.350 -0.004 0.000 0.193 571 E C -0.054 176.519 176.600 -0.044 0.000 1.041 571 E CA -0.153 56.163 56.400 -0.141 0.000 0.879 571 E CB -0.509 29.033 29.700 -0.263 0.000 0.997 571 E HN 0.533 nan 8.360 nan 0.000 0.478 572 N N 0.804 119.491 118.700 -0.021 0.000 2.708 572 N HA -0.210 4.527 4.740 -0.004 0.000 0.251 572 N C -0.728 174.843 175.510 0.103 0.000 1.017 572 N CA 0.285 53.384 53.050 0.082 0.000 0.742 572 N CB -1.103 37.492 38.487 0.181 0.000 0.943 572 N HN 0.242 nan 8.380 nan 0.000 0.539 573 I N 0.894 121.450 120.570 -0.022 0.000 2.377 573 I HA 0.327 4.495 4.170 -0.004 0.000 0.293 573 I C 0.570 176.636 176.117 -0.084 0.000 0.987 573 I CA -0.843 60.448 61.300 -0.015 0.000 1.185 573 I CB 1.299 39.293 38.000 -0.011 0.000 1.341 573 I HN 0.040 nan 8.210 nan 0.000 0.455 574 I N 6.611 127.141 120.570 -0.068 0.000 2.416 574 I HA 0.169 4.336 4.170 -0.004 0.000 0.288 574 I C -0.375 175.701 176.117 -0.067 0.000 1.051 574 I CA -0.381 60.831 61.300 -0.146 0.000 1.375 574 I CB 1.030 38.947 38.000 -0.138 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.516 575 V N 6.558 126.418 119.914 -0.091 0.000 2.384 575 V HA 0.673 4.790 4.120 -0.004 0.000 0.287 575 V C 0.260 176.355 176.094 0.001 0.000 1.020 575 V CA -0.445 61.854 62.300 -0.002 0.000 0.850 575 V CB 1.243 33.058 31.823 -0.014 0.000 0.987 575 V HN 0.847 nan 8.190 nan 0.000 0.436 576 A N 3.898 126.753 122.820 0.057 0.000 2.380 576 A HA 0.961 5.279 4.320 -0.004 0.000 0.315 576 A C -0.274 177.442 177.584 0.221 0.000 1.101 576 A CA -0.528 51.538 52.037 0.047 0.000 0.771 576 A CB 1.909 20.771 19.000 -0.230 0.000 1.287 576 A HN 0.689 nan 8.150 nan 0.000 0.436 577 S N -0.366 115.514 115.700 0.301 0.000 2.569 577 S HA 0.795 5.263 4.470 -0.004 0.000 0.280 577 S C -1.528 173.425 174.600 0.589 0.000 1.111 577 S CA -0.308 58.126 58.200 0.390 0.000 0.887 577 S CB 1.422 64.796 63.200 0.290 0.000 1.095 577 S HN 0.877 nan 8.310 nan 0.000 0.476 578 F N 1.717 121.900 119.950 0.390 0.000 2.574 578 F HA 0.427 4.951 4.527 -0.004 0.000 0.313 578 F C -1.715 174.285 175.800 0.334 0.000 1.130 578 F CA -0.676 57.579 58.000 0.424 0.000 0.936 578 F CB 1.441 40.676 39.000 0.392 0.000 1.219 578 F HN 0.403 nan 8.300 nan 0.000 0.445 579 D N 4.896 125.087 120.400 -0.350 0.000 2.443 579 D HA 0.374 5.012 4.640 -0.004 0.000 0.221 579 D C 0.356 176.322 176.300 -0.557 0.000 1.097 579 D CA 0.148 54.014 54.000 -0.224 0.000 0.865 579 D CB 1.540 42.372 40.800 0.053 0.000 1.034 579 D HN 0.768 nan 8.370 nan 0.000 0.511 580 G N 1.364 109.944 108.800 -0.368 0.000 2.736 580 G HA2 0.296 4.254 3.960 -0.004 0.000 0.229 580 G HA3 0.296 4.254 3.960 -0.004 0.000 0.229 580 G C 0.150 175.023 174.900 -0.044 0.000 1.380 580 G CA -0.749 44.172 45.100 -0.297 0.000 1.040 580 G HN 0.294 nan 8.290 nan 0.000 0.568 581 R N -0.720 119.737 120.500 -0.073 0.000 2.638 581 R HA 0.328 4.666 4.340 -0.004 0.000 0.268 581 R C 1.317 177.683 176.300 0.110 0.000 1.006 581 R CA 1.478 57.627 56.100 0.082 0.000 1.088 581 R CB 0.273 30.593 30.300 0.033 0.000 0.950 581 R HN 1.107 nan 8.270 nan 0.000 0.419 582 G N 1.075 109.939 108.800 0.108 0.000 2.217 582 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.246 582 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.246 582 G C 0.185 175.104 174.900 0.031 0.000 0.990 582 G CA 0.254 45.404 45.100 0.083 0.000 0.627 582 G HN 0.740 nan 8.290 nan 0.000 0.522 583 S N 0.263 115.992 115.700 0.048 0.000 2.600 583 S HA 0.656 5.124 4.470 -0.004 0.000 0.265 583 S C 0.908 175.486 174.600 -0.037 0.000 1.325 583 S CA 0.463 58.683 58.200 0.034 0.000 1.002 583 S CB 1.736 64.987 63.200 0.084 0.000 0.921 583 S HN 1.658 nan 8.310 nan 0.000 0.554 584 G N -1.036 107.693 108.800 -0.119 0.000 2.613 584 G HA2 0.492 4.449 3.960 -0.004 0.000 0.303 584 G HA3 0.492 4.449 3.960 -0.004 0.000 0.303 584 G C -0.964 173.777 174.900 -0.265 0.000 1.312 584 G CA -1.026 43.845 45.100 -0.383 0.000 1.036 584 G HN 0.929 nan 8.290 nan 0.000 0.513 585 Y N -2.282 118.027 120.300 0.015 0.000 4.409 585 Y HA -0.216 4.331 4.550 -0.004 0.000 0.228 585 Y C 1.362 177.275 175.900 0.022 0.000 1.108 585 Y CA 1.093 59.205 58.100 0.021 0.000 1.955 585 Y CB -2.242 36.246 38.460 0.047 0.000 1.615 585 Y HN 0.548 nan 8.280 nan 0.000 0.665 586 Q N -0.233 119.595 119.800 0.046 0.000 2.086 586 Q HA 0.510 4.847 4.340 -0.004 0.000 0.220 586 Q C 0.875 176.787 176.000 -0.146 0.000 0.792 586 Q CA 0.194 56.035 55.803 0.063 0.000 1.062 586 Q CB 1.692 30.466 28.738 0.060 0.000 1.198 586 Q HN 0.588 nan 8.270 nan 0.000 0.466 587 G N 0.738 109.301 108.800 -0.396 0.000 2.629 587 G HA2 -0.164 3.794 3.960 -0.004 0.000 0.686 587 G HA3 -0.164 3.794 3.960 -0.004 0.000 0.686 587 G C -0.559 173.974 174.900 -0.612 0.000 1.232 587 G CA -0.648 43.915 45.100 -0.894 0.000 0.803 587 G HN 0.083 nan 8.290 nan 0.000 0.638 588 D N -0.049 119.949 120.400 -0.670 0.000 2.264 588 D HA -0.043 4.595 4.640 -0.004 0.000 0.208 588 D C 2.190 178.208 176.300 -0.470 0.000 0.966 588 D CA 1.175 54.746 54.000 -0.716 0.000 0.864 588 D CB 0.090 40.410 40.800 -0.800 0.000 0.933 588 D HN 0.586 nan 8.370 nan 0.000 0.499 589 K N 0.371 120.555 120.400 -0.359 0.000 2.097 589 K HA -0.088 4.229 4.320 -0.004 0.000 0.206 589 K C 1.985 178.505 176.600 -0.133 0.000 1.049 589 K CA 0.816 56.981 56.287 -0.203 0.000 0.933 589 K CB 0.039 32.436 32.500 -0.171 0.000 0.717 589 K HN 0.110 nan 8.250 nan 0.000 0.442 590 I N 0.094 120.575 120.570 -0.148 0.000 2.339 590 I HA -0.183 3.985 4.170 -0.004 0.000 0.245 590 I C 2.534 178.632 176.117 -0.031 0.000 1.096 590 I CA 0.602 61.886 61.300 -0.028 0.000 1.408 590 I CB -0.048 37.964 38.000 0.020 0.000 1.092 590 I HN 0.259 nan 8.210 nan 0.000 0.423 591 M N 0.144 119.657 119.600 -0.145 0.000 2.117 591 M HA -0.242 4.236 4.480 -0.004 0.000 0.262 591 M C 1.773 178.102 176.300 0.049 0.000 1.065 591 M CA 2.009 57.248 55.300 -0.101 0.000 1.114 591 M CB -0.304 32.131 32.600 -0.274 0.000 1.361 591 M HN 0.263 nan 8.290 nan 0.000 0.408 592 H N -0.791 118.167 119.070 -0.187 0.000 2.543 592 H HA 0.191 4.745 4.556 -0.004 0.000 0.269 592 H C 1.736 177.065 175.328 0.002 0.000 1.005 592 H CA 0.047 55.993 56.048 -0.170 0.000 1.146 592 H CB 0.150 29.721 29.762 -0.319 0.000 1.353 592 H HN 0.511 nan 8.280 nan 0.000 0.595 593 A N 1.411 124.316 122.820 0.142 0.000 2.015 593 A HA -0.100 4.218 4.320 -0.004 0.000 0.219 593 A C 2.091 179.850 177.584 0.293 0.000 1.163 593 A CA 0.853 52.974 52.037 0.140 0.000 0.646 593 A CB -0.554 18.468 19.000 0.036 0.000 0.806 593 A HN 0.565 nan 8.150 nan 0.000 0.448 594 I N -2.922 117.815 120.570 0.279 0.000 3.793 594 I HA 0.107 4.275 4.170 -0.004 0.000 0.315 594 I C 0.500 176.722 176.117 0.176 0.000 1.275 594 I CA -0.327 61.119 61.300 0.244 0.000 1.214 594 I CB -0.814 37.287 38.000 0.167 0.000 1.018 594 I HN 0.229 nan 8.210 nan 0.000 0.439 595 N N 3.029 121.868 118.700 0.232 0.000 2.294 595 N HA -0.111 4.626 4.740 -0.004 0.000 0.263 595 N C 0.230 175.779 175.510 0.066 0.000 1.281 595 N CA 0.322 53.498 53.050 0.210 0.000 0.846 595 N CB 0.286 38.845 38.487 0.120 0.000 1.061 595 N HN 0.367 nan 8.380 nan 0.000 0.478 596 R N 0.412 120.928 120.500 0.027 0.000 4.023 596 R HA -0.208 4.129 4.340 -0.004 0.000 0.368 596 R C -0.309 175.879 176.300 -0.187 0.000 1.187 596 R CA 0.949 57.016 56.100 -0.056 0.000 1.089 596 R CB -0.855 29.426 30.300 -0.031 0.000 1.574 596 R HN 0.557 nan 8.270 nan 0.000 0.564 597 R N 0.766 121.149 120.500 -0.195 0.000 2.795 597 R HA 0.360 4.697 4.340 -0.004 0.000 0.320 597 R C -0.547 175.704 176.300 -0.083 0.000 1.223 597 R CA -0.190 55.664 56.100 -0.410 0.000 1.305 597 R CB 0.532 30.611 30.300 -0.369 0.000 1.318 597 R HN 0.078 nan 8.270 nan 0.000 0.636 598 L N -0.515 120.736 121.223 0.046 0.000 2.452 598 L HA 0.297 4.635 4.340 -0.004 0.000 0.267 598 L C 1.295 178.400 176.870 0.391 0.000 1.188 598 L CA 0.639 55.554 54.840 0.124 0.000 0.821 598 L CB 0.684 42.609 42.059 -0.223 0.000 1.102 598 L HN 0.688 nan 8.230 nan 0.000 0.470 599 G N 0.637 109.701 108.800 0.441 0.000 2.137 599 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.237 599 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.237 599 G C 0.383 175.372 174.900 0.149 0.000 1.002 599 G CA 0.537 45.849 45.100 0.354 0.000 0.702 599 G HN 0.858 nan 8.290 nan 0.000 0.515 600 T N -3.741 110.858 114.554 0.074 0.000 2.964 600 T HA 0.477 4.824 4.350 -0.004 0.000 0.161 600 T C 1.614 176.276 174.700 -0.064 0.000 0.859 600 T CA 0.886 62.918 62.100 -0.113 0.000 1.015 600 T CB -0.024 68.589 68.868 -0.425 0.000 2.138 600 T HN 0.177 nan 8.240 nan 0.000 0.367 601 F N 3.556 123.548 119.950 0.070 0.000 2.120 601 F HA 0.029 4.554 4.527 -0.004 0.000 0.300 601 F C 2.784 178.619 175.800 0.059 0.000 1.095 601 F CA 1.480 59.510 58.000 0.049 0.000 1.249 601 F CB -0.671 38.354 39.000 0.040 0.000 0.995 601 F HN 0.535 nan 8.300 nan 0.000 0.480 602 E N 0.644 121.003 120.200 0.265 0.000 2.274 602 E HA -0.100 4.248 4.350 -0.004 0.000 0.194 602 E C 2.034 178.745 176.600 0.185 0.000 0.996 602 E CA 1.197 57.726 56.400 0.215 0.000 0.840 602 E CB -0.938 28.890 29.700 0.213 0.000 0.772 602 E HN 0.307 nan 8.360 nan 0.000 0.491 603 V N 1.589 121.589 119.914 0.142 0.000 2.331 603 V HA -0.171 3.947 4.120 -0.004 0.000 0.242 603 V C 2.299 178.435 176.094 0.071 0.000 1.034 603 V CA 1.901 64.243 62.300 0.069 0.000 1.027 603 V CB -0.523 31.296 31.823 -0.006 0.000 0.667 603 V HN 0.190 nan 8.190 nan 0.000 0.457 604 E N 0.352 120.602 120.200 0.083 0.000 2.085 604 E HA -0.258 4.089 4.350 -0.004 0.000 0.194 604 E C 1.897 178.531 176.600 0.057 0.000 0.994 604 E CA 1.630 58.075 56.400 0.075 0.000 0.801 604 E CB -0.244 29.523 29.700 0.112 0.000 0.743 604 E HN 0.551 nan 8.360 nan 0.000 0.453 605 D N 0.296 120.747 120.400 0.085 0.000 2.178 605 D HA -0.159 4.478 4.640 -0.004 0.000 0.201 605 D C 1.909 178.201 176.300 -0.014 0.000 0.980 605 D CA 0.911 54.933 54.000 0.036 0.000 0.842 605 D CB -0.122 40.746 40.800 0.114 0.000 0.948 605 D HN 0.023 nan 8.370 nan 0.000 0.472 606 Q N -0.008 119.851 119.800 0.099 0.000 2.119 606 Q HA 0.018 4.356 4.340 -0.004 0.000 0.201 606 Q C 2.053 178.098 176.000 0.075 0.000 0.972 606 Q CA 0.832 56.707 55.803 0.120 0.000 0.847 606 Q CB -0.105 28.732 28.738 0.165 0.000 0.903 606 Q HN 0.343 nan 8.270 nan 0.000 0.433 607 I N -0.042 120.582 120.570 0.089 0.000 2.252 607 I HA -0.205 3.962 4.170 -0.004 0.000 0.245 607 I C 2.133 178.218 176.117 -0.055 0.000 1.102 607 I CA 1.111 62.499 61.300 0.146 0.000 1.385 607 I CB -0.229 37.844 38.000 0.123 0.000 1.064 607 I HN 0.207 nan 8.210 nan 0.000 0.414 608 E N 1.650 121.765 120.200 -0.141 0.000 2.077 608 E HA -0.209 4.139 4.350 -0.004 0.000 0.193 608 E C 2.135 178.451 176.600 -0.473 0.000 0.989 608 E CA 1.745 57.993 56.400 -0.252 0.000 0.800 608 E CB -0.234 29.331 29.700 -0.225 0.000 0.746 608 E HN 0.405 nan 8.360 nan 0.000 0.452 609 A N 0.747 123.148 122.820 -0.698 0.000 1.940 609 A HA -0.120 4.197 4.320 -0.004 0.000 0.219 609 A C 2.443 179.362 177.584 -1.107 0.000 1.176 609 A CA 2.349 53.663 52.037 -1.205 0.000 0.631 609 A CB -1.024 17.179 19.000 -1.328 0.000 0.814 609 A HN 0.385 nan 8.150 nan 0.000 0.446 610 A N -0.331 122.238 122.820 -0.420 0.000 1.898 610 A HA -0.146 4.171 4.320 -0.004 0.000 0.216 610 A C 2.242 179.666 177.584 -0.267 0.000 1.181 610 A CA 1.438 53.379 52.037 -0.160 0.000 0.620 610 A CB -0.476 18.448 19.000 -0.127 0.000 0.819 610 A HN 0.554 nan 8.150 nan 0.000 0.442 611 R N -0.643 119.674 120.500 -0.305 0.000 2.080 611 R HA -0.164 4.174 4.340 -0.004 0.000 0.236 611 R C 2.437 178.572 176.300 -0.275 0.000 1.137 611 R CA 1.617 57.565 56.100 -0.254 0.000 0.943 611 R CB -0.430 29.740 30.300 -0.217 0.000 0.846 611 R HN 0.569 nan 8.270 nan 0.000 0.431 612 Q N -0.143 119.416 119.800 -0.402 0.000 2.135 612 Q HA -0.164 4.173 4.340 -0.004 0.000 0.204 612 Q C 2.094 177.907 176.000 -0.312 0.000 0.981 612 Q CA 1.497 57.063 55.803 -0.394 0.000 0.856 612 Q CB -0.250 28.163 28.738 -0.540 0.000 0.902 612 Q HN 0.296 nan 8.270 nan 0.000 0.425 613 F N 1.256 121.050 119.950 -0.259 0.000 2.113 613 F HA -0.137 4.388 4.527 -0.004 0.000 0.297 613 F C 2.731 178.357 175.800 -0.290 0.000 1.103 613 F CA 1.299 59.141 58.000 -0.263 0.000 1.248 613 F CB -1.329 37.570 39.000 -0.168 0.000 0.999 613 F HN 0.077 nan 8.300 nan 0.000 0.475 614 S N -0.393 115.281 115.700 -0.043 0.000 2.469 614 S HA -0.193 4.275 4.470 -0.004 0.000 0.238 614 S C 1.765 176.268 174.600 -0.161 0.000 0.998 614 S CA 0.927 59.061 58.200 -0.111 0.000 0.957 614 S CB -0.640 62.495 63.200 -0.107 0.000 0.764 614 S HN 0.440 nan 8.310 nan 0.000 0.514 615 K N 0.292 120.592 120.400 -0.168 0.000 2.458 615 K HA 0.298 4.616 4.320 -0.004 0.000 0.194 615 K C 1.249 177.735 176.600 -0.190 0.000 1.024 615 K CA 0.004 56.196 56.287 -0.158 0.000 1.108 615 K CB -0.138 32.277 32.500 -0.141 0.000 0.846 615 K HN 0.432 nan 8.250 nan 0.000 0.518 616 M N -1.053 118.364 119.600 -0.304 0.000 2.502 616 M HA 0.091 4.569 4.480 -0.004 0.000 0.243 616 M C 1.073 177.085 176.300 -0.479 0.000 1.130 616 M CA 0.709 55.755 55.300 -0.423 0.000 1.055 616 M CB 0.808 33.001 32.600 -0.679 0.000 1.457 616 M HN 0.424 nan 8.290 nan 0.000 0.488 617 G N 1.208 109.788 108.800 -0.365 0.000 2.253 617 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.251 617 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.251 617 G C 0.435 175.284 174.900 -0.086 0.000 0.998 617 G CA 0.496 45.485 45.100 -0.186 0.000 0.621 617 G HN 0.586 nan 8.290 nan 0.000 0.524 618 F N 0.287 120.300 119.950 0.104 0.000 2.647 618 F HA 0.777 5.302 4.527 -0.004 0.000 0.300 618 F C 0.138 176.061 175.800 0.204 0.000 1.106 618 F CA -1.554 56.547 58.000 0.168 0.000 1.313 618 F CB 0.019 39.193 39.000 0.289 0.000 1.007 618 F HN 0.091 nan 8.300 nan 0.000 0.536 619 V N 1.449 121.423 119.914 0.101 0.000 2.495 619 V HA 0.229 4.346 4.120 -0.004 0.000 0.298 619 V C -0.718 175.387 176.094 0.019 0.000 1.031 619 V CA -0.776 61.595 62.300 0.118 0.000 0.871 619 V CB 1.709 33.553 31.823 0.036 0.000 0.988 619 V HN 0.083 nan 8.190 nan 0.000 0.432 620 D N 4.169 124.571 120.400 0.004 0.000 2.402 620 D HA 0.035 4.672 4.640 -0.004 0.000 0.235 620 D C 1.442 177.703 176.300 -0.065 0.000 1.226 620 D CA -0.193 53.775 54.000 -0.052 0.000 0.918 620 D CB 0.426 41.172 40.800 -0.092 0.000 1.043 620 D HN 0.654 nan 8.370 nan 0.000 0.506 621 N N 3.276 121.938 118.700 -0.063 0.000 2.586 621 N HA -0.214 4.524 4.740 -0.004 0.000 0.191 621 N C 0.679 176.153 175.510 -0.060 0.000 1.085 621 N CA 0.693 53.699 53.050 -0.073 0.000 0.921 621 N CB 0.063 38.503 38.487 -0.079 0.000 0.954 621 N HN 0.428 nan 8.380 nan 0.000 0.448 622 K N -0.045 120.326 120.400 -0.048 0.000 2.379 622 K HA 0.152 4.470 4.320 -0.004 0.000 0.194 622 K C 0.310 176.914 176.600 0.006 0.000 1.031 622 K CA 0.142 56.417 56.287 -0.021 0.000 1.037 622 K CB 0.442 32.930 32.500 -0.019 0.000 0.824 622 K HN 0.088 nan 8.250 nan 0.000 0.516 623 R N 1.337 121.809 120.500 -0.047 0.000 2.748 623 R HA 0.353 4.691 4.340 -0.004 0.000 0.283 623 R C -1.004 175.256 176.300 -0.068 0.000 1.507 623 R CA -0.068 55.984 56.100 -0.080 0.000 1.666 623 R CB 0.582 30.643 30.300 -0.398 0.000 1.237 623 R HN -0.016 nan 8.270 nan 0.000 0.633 624 I N 1.160 121.830 120.570 0.167 0.000 2.382 624 I HA 0.544 4.711 4.170 -0.004 0.000 0.286 624 I C 0.044 176.481 176.117 0.533 0.000 1.002 624 I CA -0.815 60.635 61.300 0.250 0.000 1.135 624 I CB 1.825 39.830 38.000 0.008 0.000 1.288 624 I HN 0.332 nan 8.210 nan 0.000 0.448 625 A N 7.279 130.509 122.820 0.683 0.000 2.313 625 A HA 0.925 5.243 4.320 -0.004 0.000 0.323 625 A C -0.919 177.002 177.584 0.562 0.000 1.133 625 A CA -0.663 51.726 52.037 0.587 0.000 0.847 625 A CB 1.995 21.206 19.000 0.350 0.000 1.308 625 A HN 0.747 nan 8.150 nan 0.000 0.475 626 I N 0.471 121.265 120.570 0.373 0.000 2.692 626 I HA 0.647 4.815 4.170 -0.004 0.000 0.293 626 I C -1.963 174.381 176.117 0.379 0.000 1.200 626 I CA -0.568 60.878 61.300 0.243 0.000 1.036 626 I CB 1.582 39.405 38.000 -0.295 0.000 1.258 626 I HN 0.941 nan 8.210 nan 0.000 0.421 627 W N 7.125 128.541 121.300 0.194 0.000 3.118 627 W HA 0.862 5.519 4.660 -0.004 0.000 0.328 627 W C -1.444 175.227 176.519 0.254 0.000 1.239 627 W CA -1.021 56.461 57.345 0.228 0.000 1.176 627 W CB 1.100 30.751 29.460 0.318 0.000 1.433 627 W HN 0.826 nan 8.180 nan 0.000 0.562 628 G N 0.728 109.440 108.800 -0.147 0.000 2.601 628 G HA2 0.476 4.434 3.960 -0.004 0.000 0.291 628 G HA3 0.476 4.434 3.960 -0.004 0.000 0.291 628 G C -2.812 172.058 174.900 -0.050 0.000 1.456 628 G CA -0.719 44.170 45.100 -0.352 0.000 0.804 628 G HN 0.616 nan 8.290 nan 0.000 0.499 629 W N 0.880 122.075 121.300 -0.174 0.000 2.761 629 W HA 0.597 5.255 4.660 -0.004 0.000 0.340 629 W C 0.774 177.361 176.519 0.114 0.000 1.072 629 W CA 0.417 57.745 57.345 -0.027 0.000 1.215 629 W CB 1.739 31.178 29.460 -0.034 0.000 1.420 629 W HN 1.118 nan 8.180 nan 0.000 0.519 630 S N 1.617 117.631 115.700 0.525 0.000 4.116 630 S HA -0.428 4.039 4.470 -0.004 0.000 0.623 630 S C 0.811 175.546 174.600 0.224 0.000 1.933 630 S CA 1.584 60.079 58.200 0.492 0.000 4.224 630 S CB -1.568 62.065 63.200 0.721 0.000 0.208 630 S HN 0.752 nan 8.310 nan 0.000 0.527 631 Y N 3.031 123.351 120.300 0.033 0.000 2.256 631 Y HA -0.064 4.484 4.550 -0.004 0.000 0.288 631 Y C 2.391 178.215 175.900 -0.127 0.000 1.155 631 Y CA 2.296 60.305 58.100 -0.152 0.000 1.203 631 Y CB -1.000 37.180 38.460 -0.467 0.000 0.980 631 Y HN 0.554 nan 8.280 nan 0.000 0.530 632 G N -0.986 107.826 108.800 0.020 0.000 2.422 632 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.218 632 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.218 632 G C 1.923 176.858 174.900 0.058 0.000 1.146 632 G CA 0.746 45.889 45.100 0.070 0.000 0.769 632 G HN 0.576 nan 8.290 nan 0.000 0.547 633 G N -0.188 108.659 108.800 0.078 0.000 2.408 633 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.217 633 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.217 633 G C 1.596 176.524 174.900 0.047 0.000 1.150 633 G CA 1.104 46.237 45.100 0.055 0.000 0.776 633 G HN 0.430 nan 8.290 nan 0.000 0.542 634 Y N 1.379 121.586 120.300 -0.155 0.000 2.114 634 Y HA -0.129 4.418 4.550 -0.004 0.000 0.284 634 Y C 2.765 178.576 175.900 -0.149 0.000 1.143 634 Y CA 1.666 59.623 58.100 -0.239 0.000 1.135 634 Y CB -0.573 37.593 38.460 -0.489 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.105 119.669 119.914 -0.232 0.000 2.407 635 V HA -0.332 3.786 4.120 -0.004 0.000 0.248 635 V C 2.319 178.306 176.094 -0.180 0.000 1.055 635 V CA 2.445 64.604 62.300 -0.234 0.000 1.049 635 V CB -1.123 30.714 31.823 0.024 0.000 0.662 635 V HN 0.527 nan 8.190 nan 0.000 0.455 636 T N -0.243 114.260 114.554 -0.085 0.000 2.708 636 T HA -0.181 4.167 4.350 -0.004 0.000 0.266 636 T C 2.127 176.790 174.700 -0.063 0.000 1.037 636 T CA 1.947 64.015 62.100 -0.055 0.000 1.146 636 T CB -0.244 68.665 68.868 0.068 0.000 0.865 636 T HN 0.538 nan 8.240 nan 0.000 0.435 637 S N 1.190 116.884 115.700 -0.010 0.000 2.368 637 S HA -0.013 4.455 4.470 -0.004 0.000 0.224 637 S C 2.151 176.693 174.600 -0.097 0.000 1.029 637 S CA 0.908 59.136 58.200 0.047 0.000 0.988 637 S CB -0.288 62.971 63.200 0.099 0.000 0.838 637 S HN 0.302 nan 8.310 nan 0.000 0.462 638 M N 1.040 120.480 119.600 -0.267 0.000 2.117 638 M HA -0.047 4.430 4.480 -0.004 0.000 0.262 638 M C 2.232 178.389 176.300 -0.238 0.000 1.065 638 M CA 1.122 56.244 55.300 -0.297 0.000 1.114 638 M CB -1.424 30.884 32.600 -0.487 0.000 1.361 638 M HN 0.181 nan 8.290 nan 0.000 0.408 639 V N 0.620 120.392 119.914 -0.237 0.000 2.261 639 V HA -0.248 3.870 4.120 -0.004 0.000 0.246 639 V C 2.508 178.440 176.094 -0.270 0.000 1.047 639 V CA 1.447 63.616 62.300 -0.218 0.000 1.015 639 V CB -0.654 30.991 31.823 -0.298 0.000 0.642 639 V HN 0.405 nan 8.190 nan 0.000 0.446 640 L N 0.434 121.434 121.223 -0.371 0.000 2.265 640 L HA -0.085 4.253 4.340 -0.004 0.000 0.215 640 L C 2.199 178.539 176.870 -0.883 0.000 1.117 640 L CA 1.464 55.983 54.840 -0.534 0.000 0.782 640 L CB -0.691 41.035 42.059 -0.554 0.000 0.914 640 L HN 0.491 nan 8.230 nan 0.000 0.441 641 G N -1.513 106.805 108.800 -0.802 0.000 3.088 641 G HA2 -0.054 3.904 3.960 -0.004 0.000 0.217 641 G HA3 -0.054 3.904 3.960 -0.004 0.000 0.217 641 G C 1.532 176.272 174.900 -0.267 0.000 1.159 641 G CA 0.559 45.275 45.100 -0.641 0.000 0.760 641 G HN 0.428 nan 8.290 nan 0.000 0.550 642 S N -0.424 115.149 115.700 -0.212 0.000 2.461 642 S HA 0.271 4.739 4.470 -0.004 0.000 0.228 642 S C 1.980 176.534 174.600 -0.077 0.000 1.005 642 S CA 1.087 59.223 58.200 -0.108 0.000 0.942 642 S CB -0.207 62.952 63.200 -0.068 0.000 0.776 642 S HN 1.387 nan 8.310 nan 0.000 0.514 643 G N 1.293 110.037 108.800 -0.094 0.000 2.143 643 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.248 643 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.248 643 G C 0.937 175.822 174.900 -0.025 0.000 0.991 643 G CA 0.954 46.019 45.100 -0.057 0.000 0.689 643 G HN 1.306 nan 8.290 nan 0.000 0.522 644 S N -0.543 115.153 115.700 -0.006 0.000 2.447 644 S HA 0.277 4.745 4.470 -0.004 0.000 0.233 644 S C 2.611 177.208 174.600 -0.005 0.000 1.006 644 S CA 1.728 59.933 58.200 0.007 0.000 0.957 644 S CB -0.297 62.932 63.200 0.049 0.000 0.773 644 S HN 2.435 nan 8.310 nan 0.000 0.507 645 G N -0.018 108.786 108.800 0.006 0.000 2.212 645 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.266 645 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.266 645 G C 0.818 175.695 174.900 -0.038 0.000 0.978 645 G CA 0.473 45.568 45.100 -0.007 0.000 0.632 645 G HN 0.751 nan 8.290 nan 0.000 0.537 646 V N -0.439 119.427 119.914 -0.080 0.000 2.548 646 V HA 0.241 4.359 4.120 -0.004 0.000 0.249 646 V C 1.206 177.039 176.094 -0.435 0.000 1.055 646 V CA 1.516 63.639 62.300 -0.295 0.000 1.065 646 V CB -0.396 31.141 31.823 -0.477 0.000 0.681 646 V HN 0.318 nan 8.190 nan 0.000 0.462 647 F N -0.398 119.571 119.950 0.032 0.000 2.450 647 F HA 0.414 4.939 4.527 -0.004 0.000 0.332 647 F C 1.089 176.938 175.800 0.081 0.000 1.093 647 F CA -0.617 57.429 58.000 0.076 0.000 1.003 647 F CB 1.516 40.566 39.000 0.083 0.000 1.151 647 F HN -0.297 nan 8.300 nan 0.000 0.474 648 K N 1.232 121.806 120.400 0.289 0.000 2.166 648 K HA 0.117 4.435 4.320 -0.004 0.000 0.201 648 K C 0.001 176.731 176.600 0.216 0.000 1.052 648 K CA 0.922 57.335 56.287 0.210 0.000 0.969 648 K CB 0.267 32.890 32.500 0.204 0.000 0.761 648 K HN 0.805 nan 8.250 nan 0.000 0.459 649 c N -2.856 115.906 118.600 0.269 0.000 3.336 649 c HA 0.907 5.475 4.570 -0.004 0.000 0.339 649 c C -0.254 174.052 174.090 0.359 0.000 1.468 649 c CA -0.490 56.016 56.329 0.294 0.000 1.287 649 c CB 1.095 43.695 42.510 0.150 0.000 1.682 649 c HN 0.364 nan 8.230 nan 0.000 0.451 650 G N -0.132 108.957 108.800 0.481 0.000 2.616 650 G HA2 0.634 4.592 3.960 -0.004 0.000 0.294 650 G HA3 0.634 4.592 3.960 -0.004 0.000 0.294 650 G C -1.999 173.152 174.900 0.418 0.000 1.489 650 G CA -0.642 44.711 45.100 0.423 0.000 0.836 650 G HN 0.997 nan 8.290 nan 0.000 0.527 651 I N 0.971 121.758 120.570 0.362 0.000 2.436 651 I HA 0.629 4.797 4.170 -0.004 0.000 0.289 651 I C 0.298 176.552 176.117 0.229 0.000 1.010 651 I CA -0.944 60.464 61.300 0.181 0.000 1.098 651 I CB 2.149 40.261 38.000 0.187 0.000 1.266 651 I HN 0.667 nan 8.210 nan 0.000 0.434 652 A N 6.498 129.333 122.820 0.025 0.000 2.303 652 A HA 0.783 5.100 4.320 -0.004 0.000 0.320 652 A C -0.735 176.767 177.584 -0.135 0.000 1.192 652 A CA -0.512 51.544 52.037 0.033 0.000 0.821 652 A CB 1.207 20.277 19.000 0.117 0.000 1.188 652 A HN 0.451 nan 8.150 nan 0.000 0.492 653 V N 2.123 121.911 119.914 -0.209 0.000 2.384 653 V HA 0.571 4.689 4.120 -0.004 0.000 0.287 653 V C 0.877 176.579 176.094 -0.653 0.000 1.020 653 V CA 0.318 62.268 62.300 -0.584 0.000 0.850 653 V CB 0.824 31.963 31.823 -1.141 0.000 0.987 653 V HN 2.111 nan 8.190 nan 0.000 0.436 654 A N 5.778 128.204 122.820 -0.657 0.000 2.415 654 A HA -0.102 4.215 4.320 -0.004 0.000 0.292 654 A C -1.812 175.627 177.584 -0.242 0.000 1.452 654 A CA 0.449 52.015 52.037 -0.784 0.000 0.750 654 A CB -1.500 17.131 19.000 -0.615 0.000 1.099 654 A HN 0.605 nan 8.150 nan 0.000 0.391 655 P HA 0.478 nan 4.420 nan 0.000 0.279 655 P C 0.163 177.428 177.300 -0.058 0.000 1.252 655 P CA -0.365 62.717 63.100 -0.030 0.000 0.811 655 P CB 1.372 33.077 31.700 0.008 0.000 1.035 656 V N 1.549 121.330 119.914 -0.221 0.000 2.834 656 V HA 0.141 4.259 4.120 -0.004 0.000 0.301 656 V C 1.644 177.544 176.094 -0.324 0.000 1.066 656 V CA 0.839 62.856 62.300 -0.471 0.000 1.052 656 V CB 0.962 32.089 31.823 -1.160 0.000 1.021 656 V HN 0.865 nan 8.190 nan 0.000 0.480 657 S N 2.931 118.453 115.700 -0.296 0.000 2.663 657 S HA 0.247 4.714 4.470 -0.004 0.000 0.247 657 S C 0.407 174.829 174.600 -0.296 0.000 1.074 657 S CA -0.344 57.759 58.200 -0.161 0.000 0.955 657 S CB 0.340 63.513 63.200 -0.046 0.000 0.901 657 S HN 0.836 nan 8.310 nan 0.000 0.505 658 R N -0.966 119.233 120.500 -0.502 0.000 2.515 658 R HA 0.483 4.820 4.340 -0.004 0.000 0.278 658 R C -0.827 175.131 176.300 -0.569 0.000 1.107 658 R CA -0.834 54.921 56.100 -0.575 0.000 0.945 658 R CB -0.147 29.741 30.300 -0.685 0.000 1.219 658 R HN 0.133 nan 8.270 nan 0.000 0.434 659 W N 1.661 122.876 121.300 -0.141 0.000 2.341 659 W HA -0.099 4.559 4.660 -0.004 0.000 0.283 659 W C 1.123 177.778 176.519 0.226 0.000 1.215 659 W CA 1.106 58.464 57.345 0.021 0.000 1.211 659 W CB 0.194 29.602 29.460 -0.087 0.000 1.131 659 W HN 0.734 nan 8.180 nan 0.000 0.552 660 E N -1.189 119.180 120.200 0.280 0.000 2.409 660 E HA -0.185 4.162 4.350 -0.004 0.000 0.198 660 E C 1.291 178.043 176.600 0.253 0.000 1.024 660 E CA 0.748 57.264 56.400 0.194 0.000 0.861 660 E CB -0.209 29.498 29.700 0.012 0.000 0.788 660 E HN 0.368 nan 8.360 nan 0.000 0.521 661 Y N -1.473 118.917 120.300 0.150 0.000 2.517 661 Y HA 0.056 4.603 4.550 -0.004 0.000 0.281 661 Y C 0.723 176.732 175.900 0.182 0.000 1.125 661 Y CA -0.308 57.857 58.100 0.109 0.000 1.283 661 Y CB -0.402 38.065 38.460 0.013 0.000 1.042 661 Y HN 0.016 nan 8.280 nan 0.000 0.547 662 Y N 2.017 122.467 120.300 0.250 0.000 2.334 662 Y HA 0.265 4.813 4.550 -0.004 0.000 0.325 662 Y C 0.325 176.439 175.900 0.357 0.000 1.308 662 Y CA -2.044 56.210 58.100 0.257 0.000 1.389 662 Y CB 0.305 38.943 38.460 0.296 0.000 1.328 662 Y HN 0.193 nan 8.280 nan 0.000 0.532 663 D N -0.474 119.650 120.400 -0.460 0.000 2.399 663 D HA 0.095 4.732 4.640 -0.004 0.000 0.241 663 D C 0.977 177.257 176.300 -0.033 0.000 1.133 663 D CA 0.378 54.182 54.000 -0.326 0.000 0.890 663 D CB 0.937 41.314 40.800 -0.705 0.000 1.201 663 D HN 0.491 nan 8.370 nan 0.000 0.432 664 S N 1.621 117.321 115.700 -0.000 0.000 2.351 664 S HA -0.261 4.207 4.470 -0.004 0.000 0.220 664 S C 1.949 176.584 174.600 0.058 0.000 1.035 664 S CA 1.365 59.614 58.200 0.082 0.000 1.031 664 S CB -1.140 62.112 63.200 0.087 0.000 0.928 664 S HN 0.449 nan 8.310 nan 0.000 0.433 665 V N 0.827 120.713 119.914 -0.048 0.000 2.282 665 V HA -0.206 3.912 4.120 -0.004 0.000 0.249 665 V C 2.344 178.362 176.094 -0.127 0.000 1.057 665 V CA 2.392 64.575 62.300 -0.194 0.000 1.032 665 V CB -1.169 30.375 31.823 -0.466 0.000 0.645 665 V HN 0.632 nan 8.190 nan 0.000 0.447 666 Y N 1.189 121.429 120.300 -0.100 0.000 2.206 666 Y HA -0.162 4.385 4.550 -0.004 0.000 0.292 666 Y C 2.691 178.620 175.900 0.050 0.000 1.123 666 Y CA 2.073 60.192 58.100 0.032 0.000 1.142 666 Y CB -0.489 38.160 38.460 0.315 0.000 1.006 666 Y HN 0.223 nan 8.280 nan 0.000 0.518 667 T N 0.323 115.120 114.554 0.406 0.000 2.674 667 T HA -0.184 4.164 4.350 -0.004 0.000 0.265 667 T C 1.531 176.228 174.700 -0.006 0.000 1.039 667 T CA 1.910 64.179 62.100 0.281 0.000 1.150 667 T CB -0.300 68.873 68.868 0.508 0.000 0.864 667 T HN 0.416 nan 8.240 nan 0.000 0.427 668 E N 0.600 120.822 120.200 0.037 0.000 2.268 668 E HA -0.080 4.268 4.350 -0.004 0.000 0.195 668 E C 2.321 178.811 176.600 -0.182 0.000 0.995 668 E CA 0.367 56.773 56.400 0.010 0.000 0.836 668 E CB -0.103 29.649 29.700 0.086 0.000 0.763 668 E HN 0.338 nan 8.360 nan 0.000 0.491 669 R N 0.165 120.398 120.500 -0.445 0.000 2.096 669 R HA -0.175 4.163 4.340 -0.004 0.000 0.235 669 R C 1.162 176.935 176.300 -0.878 0.000 1.127 669 R CA 1.509 57.157 56.100 -0.754 0.000 0.968 669 R CB 0.035 29.556 30.300 -1.298 0.000 0.861 669 R HN 0.249 nan 8.270 nan 0.000 0.440 670 Y N -1.969 118.045 120.300 -0.477 0.000 2.507 670 Y HA 0.228 4.776 4.550 -0.004 0.000 0.263 670 Y C 1.668 177.398 175.900 -0.283 0.000 1.093 670 Y CA 0.011 57.835 58.100 -0.459 0.000 1.285 670 Y CB 0.474 38.529 38.460 -0.675 0.000 1.115 670 Y HN -0.057 nan 8.280 nan 0.000 0.533 671 M N -0.288 119.206 119.600 -0.177 0.000 2.313 671 M HA 0.368 4.846 4.480 -0.004 0.000 0.273 671 M C 1.055 177.365 176.300 0.017 0.000 1.049 671 M CA 0.687 55.880 55.300 -0.178 0.000 1.004 671 M CB -0.203 32.082 32.600 -0.525 0.000 1.461 671 M HN 0.338 nan 8.290 nan 0.000 0.514 672 G N 2.117 110.941 108.800 0.041 0.000 2.601 672 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.261 672 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.261 672 G C -0.423 174.616 174.900 0.231 0.000 1.289 672 G CA -0.665 44.499 45.100 0.107 0.000 0.920 672 G HN 0.372 nan 8.290 nan 0.000 0.571 673 L N 2.054 123.386 121.223 0.181 0.000 2.375 673 L HA 0.416 4.754 4.340 -0.004 0.000 0.271 673 L C -1.322 175.587 176.870 0.066 0.000 1.107 673 L CA -1.683 53.232 54.840 0.125 0.000 0.806 673 L CB 1.735 43.821 42.059 0.046 0.000 1.146 673 L HN 0.458 nan 8.230 nan 0.000 0.447 674 P HA 0.067 nan 4.420 nan 0.000 0.220 674 P C -0.531 176.631 177.300 -0.230 0.000 1.778 674 P CA -0.112 62.600 63.100 -0.646 0.000 0.912 674 P CB -0.385 30.590 31.700 -1.208 0.000 1.861 675 T N -3.079 111.430 114.554 -0.075 0.000 2.924 675 T HA 0.462 4.810 4.350 -0.004 0.000 0.291 675 T C -1.975 172.730 174.700 0.008 0.000 1.045 675 T CA -2.372 59.709 62.100 -0.033 0.000 1.015 675 T CB 1.956 70.814 68.868 -0.018 0.000 1.103 675 T HN -0.209 nan 8.240 nan 0.000 0.496 676 P HA -0.054 nan 4.420 nan 0.000 0.218 676 P C 0.692 178.009 177.300 0.028 0.000 1.149 676 P CA 1.123 64.237 63.100 0.024 0.000 0.817 676 P CB 0.132 31.842 31.700 0.016 0.000 0.785 677 E N -0.750 119.463 120.200 0.021 0.000 2.418 677 E HA -0.068 4.280 4.350 -0.004 0.000 0.197 677 E C 1.474 178.093 176.600 0.031 0.000 1.026 677 E CA 0.680 57.093 56.400 0.021 0.000 0.862 677 E CB -0.343 29.364 29.700 0.012 0.000 0.799 677 E HN 0.337 nan 8.360 nan 0.000 0.518 678 D N -0.547 119.879 120.400 0.044 0.000 3.066 678 D HA 0.068 4.705 4.640 -0.004 0.000 0.225 678 D C 0.096 176.453 176.300 0.095 0.000 1.397 678 D CA 0.101 54.139 54.000 0.063 0.000 1.344 678 D CB 0.070 40.911 40.800 0.069 0.000 0.934 678 D HN -0.016 nan 8.370 nan 0.000 0.202 679 N N 0.144 118.937 118.700 0.154 0.000 2.451 679 N HA 0.088 4.826 4.740 -0.004 0.000 0.271 679 N C 0.899 176.611 175.510 0.337 0.000 1.410 679 N CA -0.074 53.108 53.050 0.220 0.000 0.884 679 N CB 0.160 38.781 38.487 0.222 0.000 1.332 679 N HN 0.095 nan 8.380 nan 0.000 0.498 680 L N 0.286 121.639 121.223 0.215 0.000 2.042 680 L HA -0.057 4.281 4.340 -0.004 0.000 0.210 680 L C 1.204 178.194 176.870 0.200 0.000 1.076 680 L CA 1.993 56.939 54.840 0.177 0.000 0.749 680 L CB -0.416 41.670 42.059 0.045 0.000 0.893 680 L HN 0.153 nan 8.230 nan 0.000 0.432 681 D N -1.314 119.178 120.400 0.155 0.000 2.158 681 D HA -0.260 4.378 4.640 -0.004 0.000 0.197 681 D C 2.032 178.425 176.300 0.156 0.000 0.995 681 D CA 1.745 55.823 54.000 0.129 0.000 0.846 681 D CB -0.159 40.704 40.800 0.106 0.000 0.941 681 D HN 0.582 nan 8.370 nan 0.000 0.456 682 H N -0.956 118.182 119.070 0.113 0.000 2.436 682 H HA -0.044 4.510 4.556 -0.004 0.000 0.294 682 H C 1.652 177.049 175.328 0.114 0.000 1.048 682 H CA 1.090 57.183 56.048 0.075 0.000 1.353 682 H CB -0.231 29.539 29.762 0.014 0.000 1.414 682 H HN 0.140 nan 8.280 nan 0.000 0.536 683 Y N 0.150 120.458 120.300 0.013 0.000 2.181 683 Y HA -0.165 4.383 4.550 -0.004 0.000 0.288 683 Y C 2.248 178.125 175.900 -0.038 0.000 1.146 683 Y CA 1.342 59.455 58.100 0.021 0.000 1.164 683 Y CB 0.186 38.684 38.460 0.064 0.000 0.982 683 Y HN 0.112 nan 8.280 nan 0.000 0.515 684 R N -0.418 120.160 120.500 0.129 0.000 2.200 684 R HA -0.053 4.284 4.340 -0.004 0.000 0.208 684 R C 1.480 177.773 176.300 -0.012 0.000 1.033 684 R CA 0.648 56.774 56.100 0.043 0.000 1.000 684 R CB -0.828 29.498 30.300 0.043 0.000 0.906 684 R HN 0.438 nan 8.270 nan 0.000 0.462 685 N N 0.923 119.591 118.700 -0.054 0.000 2.412 685 N HA -0.052 4.686 4.740 -0.004 0.000 0.184 685 N C -0.025 175.403 175.510 -0.137 0.000 1.101 685 N CA 0.423 53.428 53.050 -0.075 0.000 0.881 685 N CB 0.410 38.881 38.487 -0.026 0.000 0.969 685 N HN 0.089 nan 8.380 nan 0.000 0.459 686 S N -0.369 115.215 115.700 -0.193 0.000 2.562 686 S HA 0.090 4.558 4.470 -0.004 0.000 0.246 686 S C 0.430 175.076 174.600 0.076 0.000 1.056 686 S CA -0.789 57.361 58.200 -0.082 0.000 1.042 686 S CB -0.063 63.042 63.200 -0.158 0.000 0.822 686 S HN 0.165 nan 8.310 nan 0.000 0.465 687 T N -1.754 112.800 114.554 0.001 0.000 2.918 687 T HA 0.544 4.891 4.350 -0.004 0.000 0.283 687 T C 1.285 175.978 174.700 -0.012 0.000 1.001 687 T CA -0.635 61.454 62.100 -0.019 0.000 1.041 687 T CB 1.317 70.138 68.868 -0.080 0.000 1.028 687 T HN -0.043 nan 8.240 nan 0.000 0.511 688 V N 1.346 121.246 119.914 -0.023 0.000 2.407 688 V HA -0.098 4.019 4.120 -0.004 0.000 0.245 688 V C 2.636 178.695 176.094 -0.058 0.000 1.041 688 V CA 1.479 63.755 62.300 -0.040 0.000 1.040 688 V CB -0.930 30.859 31.823 -0.057 0.000 0.671 688 V HN 0.807 nan 8.190 nan 0.000 0.455 689 M N 1.287 120.836 119.600 -0.085 0.000 2.195 689 M HA -0.166 4.312 4.480 -0.004 0.000 0.260 689 M C 2.228 178.497 176.300 -0.052 0.000 1.066 689 M CA 2.129 57.374 55.300 -0.092 0.000 1.089 689 M CB -1.017 31.540 32.600 -0.072 0.000 1.377 689 M HN 0.521 nan 8.290 nan 0.000 0.411 690 S N -0.792 114.890 115.700 -0.031 0.000 2.603 690 S HA -0.005 4.462 4.470 -0.004 0.000 0.229 690 S C 1.650 176.254 174.600 0.007 0.000 0.972 690 S CA 0.452 58.644 58.200 -0.013 0.000 0.935 690 S CB -0.291 62.901 63.200 -0.014 0.000 0.769 690 S HN 0.507 nan 8.310 nan 0.000 0.536 691 R N 0.025 120.544 120.500 0.032 0.000 2.509 691 R HA 0.499 4.836 4.340 -0.004 0.000 0.300 691 R C 2.038 178.448 176.300 0.184 0.000 0.985 691 R CA 0.457 56.603 56.100 0.076 0.000 1.092 691 R CB -0.087 30.251 30.300 0.063 0.000 1.237 691 R HN 0.412 nan 8.270 nan 0.000 0.546 692 A N 1.435 124.313 122.820 0.096 0.000 1.903 692 A HA -0.306 4.012 4.320 -0.004 0.000 0.219 692 A C 2.023 179.698 177.584 0.151 0.000 1.191 692 A CA 2.120 54.190 52.037 0.055 0.000 0.638 692 A CB -0.313 18.641 19.000 -0.076 0.000 0.823 692 A HN 0.317 nan 8.150 nan 0.000 0.451 693 E N 0.588 120.842 120.200 0.091 0.000 2.160 693 E HA -0.180 4.167 4.350 -0.004 0.000 0.195 693 E C 1.510 178.161 176.600 0.086 0.000 0.991 693 E CA 1.633 58.079 56.400 0.076 0.000 0.810 693 E CB -0.294 29.432 29.700 0.043 0.000 0.742 693 E HN 0.602 nan 8.360 nan 0.000 0.466 694 N N -0.511 118.236 118.700 0.077 0.000 2.494 694 N HA -0.073 4.664 4.740 -0.004 0.000 0.182 694 N C 0.680 176.154 175.510 -0.060 0.000 1.076 694 N CA 0.431 53.474 53.050 -0.011 0.000 0.908 694 N CB -0.205 38.230 38.487 -0.088 0.000 0.967 694 N HN 0.250 nan 8.380 nan 0.000 0.449 695 F N 1.271 121.176 119.950 -0.075 0.000 2.771 695 F HA 0.035 4.560 4.527 -0.004 0.000 0.299 695 F C 1.951 177.753 175.800 0.003 0.000 1.177 695 F CA 0.566 58.516 58.000 -0.084 0.000 1.450 695 F CB 0.163 39.059 39.000 -0.173 0.000 1.114 695 F HN -0.068 nan 8.300 nan 0.000 0.587 696 K N -0.093 120.393 120.400 0.144 0.000 2.283 696 K HA -0.138 4.180 4.320 -0.004 0.000 0.202 696 K C 1.542 178.195 176.600 0.088 0.000 1.048 696 K CA 0.895 57.254 56.287 0.120 0.000 0.948 696 K CB -0.090 32.463 32.500 0.088 0.000 0.742 696 K HN 0.384 nan 8.250 nan 0.000 0.458 697 Q N 0.199 120.027 119.800 0.047 0.000 2.403 697 Q HA 0.024 4.362 4.340 -0.004 0.000 0.203 697 Q C 0.223 176.256 176.000 0.054 0.000 0.932 697 Q CA 0.060 55.884 55.803 0.036 0.000 0.945 697 Q CB 0.600 29.340 28.738 0.003 0.000 1.045 697 Q HN 0.124 nan 8.270 nan 0.000 0.511 698 V N -3.730 116.231 119.914 0.078 0.000 3.182 698 V HA 0.478 4.596 4.120 -0.004 0.000 0.308 698 V C -1.364 174.867 176.094 0.229 0.000 1.240 698 V CA -1.332 61.045 62.300 0.128 0.000 1.063 698 V CB 2.295 34.165 31.823 0.078 0.000 1.076 698 V HN -0.071 nan 8.190 nan 0.000 0.446 699 E N 1.020 121.392 120.200 0.287 0.000 2.109 699 E HA 0.479 4.826 4.350 -0.004 0.000 0.278 699 E C -1.934 175.054 176.600 0.647 0.000 0.954 699 E CA -0.370 56.281 56.400 0.417 0.000 0.779 699 E CB 1.806 31.677 29.700 0.285 0.000 1.093 699 E HN 0.664 nan 8.360 nan 0.000 0.401 700 Y N 3.432 124.004 120.300 0.454 0.000 2.429 700 Y HA 0.486 5.034 4.550 -0.004 0.000 0.342 700 Y C -1.552 174.429 175.900 0.135 0.000 1.004 700 Y CA -1.471 56.832 58.100 0.340 0.000 1.075 700 Y CB 1.078 39.767 38.460 0.382 0.000 1.214 700 Y HN 0.404 nan 8.280 nan 0.000 0.455 701 L N 7.617 128.552 121.223 -0.480 0.000 2.372 701 L HA 0.583 4.921 4.340 -0.004 0.000 0.274 701 L C -2.283 174.137 176.870 -0.750 0.000 0.988 701 L CA -0.863 53.555 54.840 -0.705 0.000 0.833 701 L CB 1.315 42.643 42.059 -1.218 0.000 1.236 701 L HN 0.634 nan 8.230 nan 0.000 0.410 702 L N 6.557 127.440 121.223 -0.567 0.000 2.313 702 L HA 0.720 5.057 4.340 -0.004 0.000 0.283 702 L C -1.124 175.623 176.870 -0.205 0.000 1.013 702 L CA -0.040 54.515 54.840 -0.475 0.000 0.816 702 L CB 1.278 43.105 42.059 -0.386 0.000 1.236 702 L HN 0.606 nan 8.230 nan 0.000 0.419 703 I N 4.325 124.784 120.570 -0.184 0.000 2.647 703 I HA 0.471 4.639 4.170 -0.004 0.000 0.295 703 I C -1.214 174.878 176.117 -0.041 0.000 1.078 703 I CA -0.693 60.551 61.300 -0.094 0.000 1.048 703 I CB 2.150 40.063 38.000 -0.146 0.000 1.239 703 I HN 0.671 nan 8.210 nan 0.000 0.421 704 H N 2.075 121.178 119.070 0.055 0.000 3.085 704 H HA 0.506 5.060 4.556 -0.004 0.000 0.356 704 H C -0.401 175.135 175.328 0.347 0.000 1.178 704 H CA -0.591 55.534 56.048 0.129 0.000 1.214 704 H CB 2.015 31.792 29.762 0.025 0.000 1.881 704 H HN 0.750 nan 8.280 nan 0.000 0.538 705 G N 0.808 109.928 108.800 0.533 0.000 2.415 705 G HA2 0.225 4.183 3.960 -0.004 0.000 0.269 705 G HA3 0.225 4.183 3.960 -0.004 0.000 0.269 705 G C 1.138 176.329 174.900 0.484 0.000 1.209 705 G CA 0.139 45.523 45.100 0.474 0.000 0.835 705 G HN 0.750 nan 8.290 nan 0.000 0.534 706 T N -0.713 113.996 114.554 0.258 0.000 2.951 706 T HA 0.059 4.407 4.350 -0.004 0.000 0.268 706 T C 1.829 176.510 174.700 -0.031 0.000 1.073 706 T CA 1.330 63.417 62.100 -0.022 0.000 1.134 706 T CB 0.100 68.879 68.868 -0.147 0.000 0.884 706 T HN 0.674 nan 8.240 nan 0.000 0.479 707 A N 1.128 123.996 122.820 0.080 0.000 2.532 707 A HA 0.274 4.591 4.320 -0.004 0.000 0.273 707 A C 0.537 178.061 177.584 -0.100 0.000 1.342 707 A CA -0.454 51.581 52.037 -0.002 0.000 0.929 707 A CB -0.433 18.846 19.000 0.465 0.000 1.051 707 A HN 0.410 nan 8.150 nan 0.000 0.521 708 D N 1.545 121.932 120.400 -0.022 0.000 2.342 708 D HA -0.024 4.613 4.640 -0.004 0.000 0.260 708 D C 0.347 176.626 176.300 -0.035 0.000 1.278 708 D CA 0.217 54.305 54.000 0.147 0.000 0.910 708 D CB 0.616 41.658 40.800 0.403 0.000 1.079 708 D HN 0.586 nan 8.370 nan 0.000 0.496 709 D N 2.382 122.818 120.400 0.059 0.000 2.348 709 D HA -0.134 4.504 4.640 -0.004 0.000 0.211 709 D C 0.977 177.259 176.300 -0.030 0.000 0.998 709 D CA -0.107 53.897 54.000 0.007 0.000 0.873 709 D CB 0.431 41.192 40.800 -0.065 0.000 0.925 709 D HN 0.241 nan 8.370 nan 0.000 0.524 710 N N 0.940 119.715 118.700 0.125 0.000 2.335 710 N HA -0.050 4.687 4.740 -0.004 0.000 0.197 710 N C -0.015 175.427 175.510 -0.113 0.000 1.045 710 N CA 0.486 53.639 53.050 0.171 0.000 0.928 710 N CB 0.419 39.005 38.487 0.164 0.000 1.118 710 N HN -0.092 nan 8.380 nan 0.000 0.471 711 V N 3.892 123.752 119.914 -0.091 0.000 2.334 711 V HA 0.170 4.288 4.120 -0.004 0.000 0.267 711 V C -0.553 175.576 176.094 0.058 0.000 1.040 711 V CA -0.614 61.668 62.300 -0.030 0.000 0.866 711 V CB 0.259 32.118 31.823 0.059 0.000 1.019 711 V HN 0.312 nan 8.190 nan 0.000 0.468 712 H N 3.895 122.952 119.070 -0.021 0.000 2.815 712 H HA 0.028 4.582 4.556 -0.004 0.000 0.350 712 H C 0.855 176.037 175.328 -0.244 0.000 1.080 712 H CA -0.346 55.613 56.048 -0.150 0.000 1.433 712 H CB 0.545 30.141 29.762 -0.277 0.000 1.432 712 H HN 0.642 nan 8.280 nan 0.000 0.592 713 F N 2.112 121.853 119.950 -0.348 0.000 2.184 713 F HA -0.303 4.222 4.527 -0.004 0.000 0.301 713 F C 2.588 178.113 175.800 -0.459 0.000 1.076 713 F CA 1.953 59.538 58.000 -0.691 0.000 1.295 713 F CB -0.063 38.717 39.000 -0.366 0.000 1.026 713 F HN 0.661 nan 8.300 nan 0.000 0.494 714 Q N 0.176 119.847 119.800 -0.215 0.000 2.156 714 Q HA -0.324 4.014 4.340 -0.004 0.000 0.211 714 Q C 2.056 177.837 176.000 -0.365 0.000 0.995 714 Q CA 2.345 57.977 55.803 -0.286 0.000 0.877 714 Q CB -0.379 28.151 28.738 -0.348 0.000 0.920 714 Q HN 0.611 nan 8.270 nan 0.000 0.416 715 Q N -0.354 119.270 119.800 -0.294 0.000 2.084 715 Q HA -0.110 4.227 4.340 -0.004 0.000 0.202 715 Q C 2.222 178.121 176.000 -0.168 0.000 0.978 715 Q CA 1.731 57.478 55.803 -0.094 0.000 0.844 715 Q CB -0.028 28.725 28.738 0.026 0.000 0.898 715 Q HN 0.343 nan 8.270 nan 0.000 0.426 716 S N 0.617 116.095 115.700 -0.369 0.000 2.436 716 S HA 0.029 4.497 4.470 -0.004 0.000 0.228 716 S C 1.988 176.333 174.600 -0.425 0.000 1.014 716 S CA 0.629 58.615 58.200 -0.356 0.000 0.950 716 S CB 0.006 62.981 63.200 -0.373 0.000 0.784 716 S HN 0.439 nan 8.310 nan 0.000 0.504 717 A N 1.325 123.814 122.820 -0.553 0.000 1.969 717 A HA -0.091 4.226 4.320 -0.004 0.000 0.218 717 A C 2.114 179.603 177.584 -0.159 0.000 1.169 717 A CA 1.009 52.861 52.037 -0.308 0.000 0.635 717 A CB -0.318 18.578 19.000 -0.174 0.000 0.810 717 A HN 0.332 nan 8.150 nan 0.000 0.445 718 Q N -0.627 119.087 119.800 -0.143 0.000 2.245 718 Q HA 0.062 4.400 4.340 -0.004 0.000 0.201 718 Q C 2.026 177.972 176.000 -0.089 0.000 0.955 718 Q CA 0.790 56.559 55.803 -0.057 0.000 0.870 718 Q CB -0.178 28.602 28.738 0.070 0.000 0.945 718 Q HN 0.772 nan 8.270 nan 0.000 0.461 719 I N 0.955 121.441 120.570 -0.141 0.000 2.233 719 I HA -0.253 3.915 4.170 -0.004 0.000 0.243 719 I C 2.523 178.468 176.117 -0.287 0.000 1.093 719 I CA 1.313 62.481 61.300 -0.220 0.000 1.380 719 I CB -0.309 37.559 38.000 -0.220 0.000 1.067 719 I HN 0.166 nan 8.210 nan 0.000 0.413 720 S N 0.968 116.526 115.700 -0.236 0.000 2.370 720 S HA -0.295 4.172 4.470 -0.004 0.000 0.226 720 S C 2.045 176.603 174.600 -0.070 0.000 1.033 720 S CA 1.588 59.678 58.200 -0.183 0.000 1.011 720 S CB -0.476 62.764 63.200 0.068 0.000 0.852 720 S HN 0.372 nan 8.310 nan 0.000 0.457 721 K N 1.731 122.100 120.400 -0.051 0.000 2.057 721 K HA 0.030 4.348 4.320 -0.004 0.000 0.207 721 K C 2.289 178.865 176.600 -0.040 0.000 1.049 721 K CA 1.159 57.435 56.287 -0.018 0.000 0.931 721 K CB -0.716 31.774 32.500 -0.016 0.000 0.714 721 K HN 0.447 nan 8.250 nan 0.000 0.440 722 A N 1.097 123.864 122.820 -0.089 0.000 1.902 722 A HA -0.115 4.203 4.320 -0.004 0.000 0.217 722 A C 2.100 179.617 177.584 -0.112 0.000 1.181 722 A CA 1.382 53.360 52.037 -0.097 0.000 0.623 722 A CB -0.602 18.318 19.000 -0.133 0.000 0.818 722 A HN 0.326 nan 8.150 nan 0.000 0.443 723 L N -0.748 120.360 121.223 -0.191 0.000 2.056 723 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 723 L C 2.528 179.407 176.870 0.016 0.000 1.078 723 L CA 0.954 55.691 54.840 -0.172 0.000 0.749 723 L CB -0.628 41.167 42.059 -0.439 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.042 119.916 119.914 0.074 0.000 2.295 724 V HA -0.307 3.811 4.120 -0.004 0.000 0.246 724 V C 2.076 178.207 176.094 0.062 0.000 1.049 724 V CA 2.003 64.374 62.300 0.119 0.000 1.024 724 V CB -0.533 31.361 31.823 0.118 0.000 0.648 724 V HN 0.417 nan 8.190 nan 0.000 0.447 725 D N 0.230 120.647 120.400 0.029 0.000 2.190 725 D HA -0.133 4.505 4.640 -0.004 0.000 0.200 725 D C 1.735 178.049 176.300 0.022 0.000 0.992 725 D CA 1.752 55.764 54.000 0.020 0.000 0.854 725 D CB -0.178 40.625 40.800 0.004 0.000 0.936 725 D HN 0.553 nan 8.370 nan 0.000 0.462 726 V N -3.845 116.082 119.914 0.022 0.000 3.444 726 V HA 0.508 4.626 4.120 -0.004 0.000 0.308 726 V C 1.161 177.283 176.094 0.048 0.000 1.371 726 V CA 0.276 62.594 62.300 0.030 0.000 1.141 726 V CB -0.110 31.728 31.823 0.025 0.000 1.037 726 V HN 0.169 nan 8.190 nan 0.000 0.433 727 G N 0.380 109.217 108.800 0.060 0.000 2.256 727 G HA2 -0.177 3.781 3.960 -0.004 0.000 0.272 727 G HA3 -0.177 3.781 3.960 -0.004 0.000 0.272 727 G C -0.140 174.822 174.900 0.103 0.000 1.076 727 G CA 0.205 45.351 45.100 0.076 0.000 0.882 727 G HN 0.863 nan 8.290 nan 0.000 0.497 728 V N 0.490 120.485 119.914 0.135 0.000 2.394 728 V HA 0.480 4.597 4.120 -0.004 0.000 0.282 728 V C 0.367 176.646 176.094 0.309 0.000 1.031 728 V CA -0.490 61.922 62.300 0.188 0.000 0.881 728 V CB 1.770 33.690 31.823 0.160 0.000 0.982 728 V HN 0.464 nan 8.190 nan 0.000 0.451 729 D N 4.100 124.661 120.400 0.269 0.000 2.264 729 D HA 0.622 5.260 4.640 -0.004 0.000 0.249 729 D C -0.579 175.965 176.300 0.407 0.000 1.070 729 D CA 0.139 54.289 54.000 0.251 0.000 0.912 729 D CB 0.889 41.767 40.800 0.130 0.000 1.193 729 D HN 0.343 nan 8.370 nan 0.000 0.427 730 F N -0.319 119.710 119.950 0.132 0.000 2.877 730 F HA 0.472 4.997 4.527 -0.004 0.000 0.319 730 F C -1.705 174.154 175.800 0.097 0.000 1.174 730 F CA -1.128 56.973 58.000 0.168 0.000 0.903 730 F CB 0.659 39.795 39.000 0.228 0.000 1.357 730 F HN 0.079 nan 8.300 nan 0.000 0.472 731 Q N 1.338 121.192 119.800 0.089 0.000 2.274 731 Q HA 0.834 5.172 4.340 -0.004 0.000 0.260 731 Q C -0.871 175.104 176.000 -0.042 0.000 0.974 731 Q CA -0.743 55.009 55.803 -0.085 0.000 0.876 731 Q CB 2.030 30.749 28.738 -0.031 0.000 1.297 731 Q HN 1.068 nan 8.270 nan 0.000 0.446 732 A N 1.727 124.486 122.820 -0.102 0.000 2.515 732 A HA 0.878 5.196 4.320 -0.004 0.000 0.296 732 A C -1.299 176.222 177.584 -0.105 0.000 1.094 732 A CA -0.587 51.443 52.037 -0.012 0.000 0.718 732 A CB 1.939 21.009 19.000 0.117 0.000 1.307 732 A HN 0.621 nan 8.150 nan 0.000 0.408 733 M N 1.371 120.896 119.600 -0.125 0.000 2.274 733 M HA 0.573 5.051 4.480 -0.004 0.000 0.272 733 M C -2.057 174.101 176.300 -0.237 0.000 1.053 733 M CA -0.513 54.567 55.300 -0.367 0.000 0.978 733 M CB 1.150 33.434 32.600 -0.527 0.000 1.836 733 M HN 0.981 nan 8.290 nan 0.000 0.484 734 W N 4.395 125.522 121.300 -0.288 0.000 2.578 734 W HA 0.794 5.451 4.660 -0.004 0.000 0.346 734 W C -2.107 174.124 176.519 -0.479 0.000 1.075 734 W CA -0.892 56.366 57.345 -0.145 0.000 1.233 734 W CB 0.471 29.910 29.460 -0.034 0.000 1.358 734 W HN 0.608 nan 8.180 nan 0.000 0.574 735 Y N 2.268 122.693 120.300 0.208 0.000 2.376 735 Y HA 0.313 4.860 4.550 -0.004 0.000 0.326 735 Y C 0.469 176.486 175.900 0.195 0.000 0.970 735 Y CA -1.183 56.957 58.100 0.067 0.000 1.248 735 Y CB 1.472 39.941 38.460 0.016 0.000 1.117 735 Y HN 0.435 nan 8.280 nan 0.000 0.476 736 T N 4.648 119.372 114.554 0.283 0.000 2.871 736 T HA -0.019 4.329 4.350 -0.004 0.000 0.296 736 T C 0.142 174.920 174.700 0.131 0.000 0.998 736 T CA 0.608 62.823 62.100 0.192 0.000 1.162 736 T CB -0.129 68.795 68.868 0.093 0.000 0.947 736 T HN 0.690 nan 8.240 nan 0.000 0.536 737 D N 0.966 121.420 120.400 0.091 0.000 3.059 737 D HA -0.126 4.512 4.640 -0.004 0.000 0.220 737 D C 0.272 176.714 176.300 0.237 0.000 1.169 737 D CA 1.144 55.147 54.000 0.006 0.000 0.902 737 D CB -0.398 40.196 40.800 -0.343 0.000 1.116 737 D HN 0.548 nan 8.370 nan 0.000 0.417 738 E N 0.735 121.088 120.200 0.256 0.000 2.277 738 E HA 0.367 4.715 4.350 -0.004 0.000 0.274 738 E C 0.704 177.489 176.600 0.309 0.000 1.022 738 E CA -0.375 56.192 56.400 0.279 0.000 0.853 738 E CB 1.303 31.158 29.700 0.259 0.000 1.086 738 E HN 0.324 nan 8.360 nan 0.000 0.397 739 D N -0.639 119.954 120.400 0.321 0.000 2.560 739 D HA 0.018 4.656 4.640 -0.004 0.000 0.277 739 D C 1.062 177.593 176.300 0.385 0.000 1.194 739 D CA -0.273 53.938 54.000 0.353 0.000 1.092 739 D CB -0.133 40.900 40.800 0.388 0.000 1.169 739 D HN 0.390 nan 8.370 nan 0.000 0.607 740 H N -1.455 117.801 119.070 0.309 0.000 2.460 740 H HA 0.034 4.587 4.556 -0.004 0.000 0.297 740 H C 1.864 177.466 175.328 0.457 0.000 1.103 740 H CA 2.269 58.524 56.048 0.346 0.000 1.292 740 H CB -0.382 29.571 29.762 0.318 0.000 1.376 740 H HN 0.508 nan 8.280 nan 0.000 0.531 741 G N -0.448 108.551 108.800 0.332 0.000 2.777 741 G HA2 0.023 3.981 3.960 -0.004 0.000 0.211 741 G HA3 0.023 3.981 3.960 -0.004 0.000 0.211 741 G C 0.653 175.753 174.900 0.334 0.000 1.149 741 G CA 0.255 45.484 45.100 0.215 0.000 0.785 741 G HN 0.511 nan 8.290 nan 0.000 0.536 742 I N 0.211 120.988 120.570 0.345 0.000 5.115 742 I HA -0.335 3.832 4.170 -0.004 0.000 0.126 742 I C 1.582 177.838 176.117 0.233 0.000 1.316 742 I CA 0.186 61.636 61.300 0.250 0.000 2.641 742 I CB -1.124 37.000 38.000 0.206 0.000 2.272 742 I HN 0.266 nan 8.210 nan 0.000 0.321 743 A N 1.335 124.264 122.820 0.181 0.000 2.348 743 A HA 0.237 4.554 4.320 -0.004 0.000 0.224 743 A C 1.204 178.841 177.584 0.089 0.000 1.227 743 A CA 0.573 52.680 52.037 0.118 0.000 0.885 743 A CB 0.142 19.178 19.000 0.061 0.000 0.933 743 A HN 0.662 nan 8.150 nan 0.000 0.506 744 S N -0.095 115.673 115.700 0.113 0.000 2.563 744 S HA 0.108 4.575 4.470 -0.004 0.000 0.284 744 S C 1.284 175.941 174.600 0.095 0.000 1.331 744 S CA 0.439 58.698 58.200 0.098 0.000 1.047 744 S CB 0.955 64.220 63.200 0.109 0.000 0.859 744 S HN 0.607 nan 8.310 nan 0.000 0.514 745 S N 2.568 118.309 115.700 0.069 0.000 2.359 745 S HA -0.200 4.268 4.470 -0.004 0.000 0.223 745 S C 2.111 176.773 174.600 0.104 0.000 1.039 745 S CA 2.458 60.700 58.200 0.071 0.000 1.042 745 S CB -1.651 61.572 63.200 0.039 0.000 0.915 745 S HN 1.103 nan 8.310 nan 0.000 0.439 746 T N -0.410 114.194 114.554 0.084 0.000 2.777 746 T HA 0.183 4.531 4.350 -0.004 0.000 0.266 746 T C 1.984 176.740 174.700 0.092 0.000 1.040 746 T CA 1.339 63.491 62.100 0.085 0.000 1.141 746 T CB -0.938 67.974 68.868 0.073 0.000 0.868 746 T HN 0.489 nan 8.240 nan 0.000 0.444 747 A N 1.369 124.223 122.820 0.057 0.000 1.930 747 A HA -0.054 4.264 4.320 -0.004 0.000 0.217 747 A C 2.191 179.709 177.584 -0.110 0.000 1.175 747 A CA 1.924 53.917 52.037 -0.072 0.000 0.627 747 A CB -1.230 17.696 19.000 -0.123 0.000 0.815 747 A HN 0.779 nan 8.150 nan 0.000 0.443 748 H N -0.040 119.003 119.070 -0.044 0.000 2.319 748 H HA -0.148 4.406 4.556 -0.004 0.000 0.299 748 H C 2.045 177.426 175.328 0.088 0.000 1.092 748 H CA 2.382 58.456 56.048 0.043 0.000 1.302 748 H CB -0.180 29.621 29.762 0.065 0.000 1.373 748 H HN 0.577 nan 8.280 nan 0.000 0.497 749 Q N -1.149 118.636 119.800 -0.026 0.000 2.123 749 Q HA -0.141 4.196 4.340 -0.004 0.000 0.199 749 Q C 2.145 178.116 176.000 -0.048 0.000 0.966 749 Q CA 1.069 56.823 55.803 -0.082 0.000 0.845 749 Q CB -0.088 28.649 28.738 -0.002 0.000 0.907 749 Q HN 0.619 nan 8.270 nan 0.000 0.439 750 H N 0.926 119.952 119.070 -0.073 0.000 2.326 750 H HA -0.057 4.497 4.556 -0.004 0.000 0.301 750 H C 1.992 177.297 175.328 -0.039 0.000 1.081 750 H CA 1.249 57.289 56.048 -0.013 0.000 1.334 750 H CB 0.015 29.823 29.762 0.078 0.000 1.385 750 H HN 0.273 nan 8.280 nan 0.000 0.504 751 I N 0.110 120.632 120.570 -0.080 0.000 2.252 751 I HA -0.317 3.851 4.170 -0.004 0.000 0.245 751 I C 1.740 177.629 176.117 -0.381 0.000 1.102 751 I CA 1.218 62.389 61.300 -0.214 0.000 1.385 751 I CB -0.263 37.405 38.000 -0.553 0.000 1.064 751 I HN 0.134 nan 8.210 nan 0.000 0.414 752 Y N 0.986 121.071 120.300 -0.359 0.000 2.314 752 Y HA -0.182 4.366 4.550 -0.004 0.000 0.293 752 Y C 2.719 178.409 175.900 -0.349 0.000 1.129 752 Y CA 1.751 59.518 58.100 -0.555 0.000 1.201 752 Y CB -0.846 37.282 38.460 -0.554 0.000 0.999 752 Y HN 0.143 nan 8.280 nan 0.000 0.541 753 T N -1.615 112.865 114.554 -0.123 0.000 2.746 753 T HA -0.236 4.111 4.350 -0.004 0.000 0.267 753 T C 1.572 176.161 174.700 -0.185 0.000 1.039 753 T CA 1.918 63.911 62.100 -0.179 0.000 1.142 753 T CB -0.433 68.319 68.868 -0.194 0.000 0.866 753 T HN 0.416 nan 8.240 nan 0.000 0.444 754 H N 0.713 119.674 119.070 -0.181 0.000 2.357 754 H HA 0.139 4.693 4.556 -0.004 0.000 0.301 754 H C 2.155 177.476 175.328 -0.011 0.000 1.082 754 H CA 1.460 57.477 56.048 -0.052 0.000 1.342 754 H CB -0.211 29.530 29.762 -0.035 0.000 1.389 754 H HN 0.250 nan 8.280 nan 0.000 0.511 755 M N -0.852 118.702 119.600 -0.077 0.000 2.229 755 M HA -0.139 4.339 4.480 -0.004 0.000 0.264 755 M C 2.327 178.750 176.300 0.206 0.000 1.063 755 M CA 1.267 56.526 55.300 -0.068 0.000 1.114 755 M CB 0.106 32.424 32.600 -0.471 0.000 1.387 755 M HN 0.206 nan 8.290 nan 0.000 0.420 756 S N -0.602 115.233 115.700 0.225 0.000 2.368 756 S HA -0.144 4.324 4.470 -0.004 0.000 0.225 756 S C 1.691 176.386 174.600 0.158 0.000 1.030 756 S CA 0.979 59.392 58.200 0.355 0.000 0.999 756 S CB -0.527 62.859 63.200 0.311 0.000 0.844 756 S HN 0.472 nan 8.310 nan 0.000 0.459 757 H N -0.020 119.110 119.070 0.100 0.000 2.321 757 H HA -0.034 4.519 4.556 -0.004 0.000 0.300 757 H C 1.986 177.326 175.328 0.019 0.000 1.087 757 H CA 1.324 57.388 56.048 0.026 0.000 1.319 757 H CB -0.801 28.926 29.762 -0.057 0.000 1.379 757 H HN 0.445 nan 8.280 nan 0.000 0.501 758 F N 1.269 121.209 119.950 -0.016 0.000 2.134 758 F HA -0.190 4.335 4.527 -0.004 0.000 0.299 758 F C 2.272 178.031 175.800 -0.069 0.000 1.097 758 F CA 0.868 58.830 58.000 -0.063 0.000 1.264 758 F CB -0.264 38.679 39.000 -0.096 0.000 1.001 758 F HN -0.036 nan 8.300 nan 0.000 0.479 759 I N 0.661 121.249 120.570 0.031 0.000 2.179 759 I HA -0.268 3.899 4.170 -0.004 0.000 0.242 759 I C 2.260 178.175 176.117 -0.336 0.000 1.088 759 I CA 1.511 62.661 61.300 -0.250 0.000 1.357 759 I CB -1.313 36.625 38.000 -0.103 0.000 1.051 759 I HN 0.195 nan 8.210 nan 0.000 0.409 760 K N 0.091 120.444 120.400 -0.078 0.000 2.097 760 K HA -0.215 4.103 4.320 -0.004 0.000 0.206 760 K C 2.135 178.729 176.600 -0.011 0.000 1.049 760 K CA 1.081 57.377 56.287 0.015 0.000 0.933 760 K CB -0.176 32.385 32.500 0.100 0.000 0.717 760 K HN 0.293 nan 8.250 nan 0.000 0.442 761 Q N 1.117 120.870 119.800 -0.077 0.000 2.016 761 Q HA -0.197 4.141 4.340 -0.004 0.000 0.200 761 Q C 2.311 178.220 176.000 -0.152 0.000 0.978 761 Q CA 1.826 57.570 55.803 -0.098 0.000 0.833 761 Q CB -0.684 27.982 28.738 -0.120 0.000 0.895 761 Q HN 0.427 nan 8.270 nan 0.000 0.427 762 c N 0.386 118.781 118.600 -0.342 0.000 2.411 762 c HA -0.101 4.467 4.570 -0.004 0.000 0.279 762 c C 2.265 176.364 174.090 0.016 0.000 1.288 762 c CA 0.529 56.676 56.329 -0.303 0.000 1.764 762 c CB -1.413 40.747 42.510 -0.584 0.000 1.974 762 c HN 0.521 nan 8.230 nan 0.000 0.498 763 F N 1.595 121.504 119.950 -0.069 0.000 2.765 763 F HA 0.240 4.765 4.527 -0.004 0.000 0.302 763 F C 1.647 177.433 175.800 -0.022 0.000 1.111 763 F CA 0.514 58.497 58.000 -0.028 0.000 1.359 763 F CB -1.157 37.835 39.000 -0.014 0.000 1.097 763 F HN 0.242 nan 8.300 nan 0.000 0.577 764 S N 0.992 116.777 115.700 0.141 0.000 3.783 764 S HA -0.192 4.275 4.470 -0.004 0.000 0.360 764 S C -0.135 174.515 174.600 0.082 0.000 1.006 764 S CA 0.041 58.288 58.200 0.079 0.000 1.115 764 S CB -2.119 61.117 63.200 0.060 0.000 0.893 764 S HN 0.217 nan 8.310 nan 0.000 0.475 765 L N 0.763 122.045 121.223 0.098 0.000 2.317 765 L HA 0.502 4.840 4.340 -0.004 0.000 0.281 765 L C -1.411 175.503 176.870 0.073 0.000 1.024 765 L CA -2.256 52.638 54.840 0.089 0.000 0.810 765 L CB 0.725 42.854 42.059 0.117 0.000 1.240 765 L HN 0.053 nan 8.230 nan 0.000 0.427 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.730 31.700 0.050 0.000 0.726