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 3gg8_1_D DATA FIRST_RESID 40 DATA SEQUENCE RMSQILEPRS EEDWTAHRTR IVCTMGPACW NVDTLVKMID AGMNVCRLNF DATA SEQUENCE SHGDHETHAR TVQNIQEAMK QRPEARLAIL LDTKGPEIRT GFLKDHKPIT DATA SEQUENCE LQQGATLKIV TDYNLIGDET TIACSYGALP QSVKPGNTIL IADGSLSVKV DATA SEQUENCE VEVGSDYVIT QAQNTATIGE RKNMNLPNVK VQLPVIGEKD KHDILNFGIP DATA SEQUENCE MGCNFIAASF VQSADDVRYI RGLLGPRGRH IRIIPKIENV EGLVNFDEIL DATA SEQUENCE AEADGIMIAR GDLGMEIPPE KVFLAQKMMI AKCNVVGKPV ITATQMLESM DATA SEQUENCE IKNPRPTRAE AADVANAVLD GTDCVMLSGE TANGEFPVIT VETMARICYE DATA SEQUENCE AETCVDYPAL YRAMCLAVXX PISTQEAVAR AAVETAECVN AAIILALTET DATA SEQUENCE GQTARLIAKY RPMQPILALS ASESTIKHLQ VIRGVTTMQV PSFXGTDHVI DATA SEQUENCE RNAIVVAKER XLVTEGESIV AVHGMKXXXX XSSNLLKVLT VE 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.304 176.300 0.006 0.000 0.893 40 R CA 0.000 56.102 56.100 0.004 0.000 0.921 40 R CB 0.000 30.304 30.300 0.007 0.000 0.687 41 M N 1.411 121.014 119.600 0.006 0.000 2.117 41 M HA -0.097 4.383 4.480 0.000 0.000 0.262 41 M C 2.059 178.365 176.300 0.010 0.000 1.065 41 M CA 3.353 58.656 55.300 0.006 0.000 1.114 41 M CB -0.043 32.559 32.600 0.004 0.000 1.361 41 M HN 0.880 nan 8.290 nan 0.000 0.408 42 S N -0.917 114.791 115.700 0.014 0.000 2.474 42 S HA -0.163 4.307 4.470 0.000 0.000 0.235 42 S C 1.898 176.514 174.600 0.026 0.000 0.997 42 S CA 1.063 59.274 58.200 0.019 0.000 0.949 42 S CB -0.763 62.449 63.200 0.020 0.000 0.766 42 S HN 0.750 nan 8.310 nan 0.000 0.517 43 Q N 0.711 120.526 119.800 0.025 0.000 2.311 43 Q HA 0.124 4.464 4.340 0.000 0.000 0.203 43 Q C 1.786 177.804 176.000 0.030 0.000 0.954 43 Q CA 0.864 56.688 55.803 0.034 0.000 0.885 43 Q CB -0.147 28.607 28.738 0.028 0.000 0.963 43 Q HN 0.686 nan 8.270 nan 0.000 0.471 44 I N 0.105 120.686 120.570 0.018 0.000 2.761 44 I HA -0.189 3.981 4.170 0.000 0.000 0.261 44 I C 1.691 177.815 176.117 0.013 0.000 1.198 44 I CA 0.480 61.788 61.300 0.012 0.000 1.482 44 I CB 0.059 38.061 38.000 0.004 0.000 1.100 44 I HN 0.190 nan 8.210 nan 0.000 0.445 45 L N 0.652 121.885 121.223 0.016 0.000 2.187 45 L HA 0.118 4.458 4.340 0.000 0.000 0.197 45 L C 1.611 178.493 176.870 0.020 0.000 1.090 45 L CA 0.323 55.171 54.840 0.014 0.000 0.781 45 L CB -0.933 41.133 42.059 0.012 0.000 0.956 45 L HN 0.111 nan 8.230 nan 0.000 0.463 46 E N 3.011 123.227 120.200 0.028 0.000 2.415 46 E HA 0.162 4.512 4.350 0.000 0.000 0.260 46 E C -2.176 174.450 176.600 0.042 0.000 1.016 46 E CA -1.474 54.947 56.400 0.034 0.000 0.924 46 E CB -1.325 28.400 29.700 0.041 0.000 0.961 46 E HN 0.192 nan 8.360 nan 0.000 0.459 47 P HA 0.366 nan 4.420 nan 0.000 0.271 47 P C -0.014 177.322 177.300 0.061 0.000 1.226 47 P CA -0.135 62.987 63.100 0.037 0.000 0.765 47 P CB 0.418 32.132 31.700 0.023 0.000 0.835 48 R N 2.285 122.832 120.500 0.079 0.000 2.446 48 R HA 0.413 4.753 4.340 0.000 0.000 0.325 48 R C 1.099 177.485 176.300 0.143 0.000 0.997 48 R CA 0.444 56.612 56.100 0.115 0.000 1.010 48 R CB -1.787 28.603 30.300 0.149 0.000 0.946 48 R HN 0.789 nan 8.270 nan 0.000 0.422 49 S N 1.518 117.279 115.700 0.101 0.000 2.580 49 S HA 0.413 4.883 4.470 0.000 0.000 0.266 49 S C 1.837 176.517 174.600 0.133 0.000 1.354 49 S CA 0.295 58.553 58.200 0.097 0.000 1.008 49 S CB 0.094 63.316 63.200 0.037 0.000 0.898 49 S HN 1.262 nan 8.310 nan 0.000 0.555 50 E N 0.708 120.980 120.200 0.120 0.000 2.026 50 E HA -0.156 4.194 4.350 0.000 0.000 0.206 50 E C 2.255 178.596 176.600 -0.432 0.000 1.028 50 E CA 3.048 59.462 56.400 0.024 0.000 0.845 50 E CB -2.046 27.670 29.700 0.027 0.000 0.772 50 E HN 1.189 nan 8.360 nan 0.000 0.462 51 E N 1.261 121.295 120.200 -0.278 0.000 2.233 51 E HA -0.279 4.071 4.350 0.000 0.000 0.199 51 E C 1.955 178.334 176.600 -0.368 0.000 1.004 51 E CA 1.745 57.962 56.400 -0.305 0.000 0.819 51 E CB -0.934 28.667 29.700 -0.164 0.000 0.738 51 E HN 0.652 nan 8.360 nan 0.000 0.478 52 D N -0.117 120.070 120.400 -0.354 0.000 2.106 52 D HA -0.160 4.480 4.640 0.000 0.000 0.194 52 D C 2.093 177.889 176.300 -0.838 0.000 0.988 52 D CA 1.893 55.581 54.000 -0.520 0.000 0.845 52 D CB -0.693 39.854 40.800 -0.421 0.000 0.990 52 D HN 0.838 nan 8.370 nan 0.000 0.448 53 W N 0.837 121.744 121.300 -0.656 0.000 2.342 53 W HA -0.121 4.539 4.660 0.000 0.000 0.297 53 W C 1.556 178.074 176.519 -0.002 0.000 1.213 53 W CA 1.156 58.265 57.345 -0.394 0.000 1.251 53 W CB -1.753 27.612 29.460 -0.157 0.000 1.136 53 W HN -0.138 nan 8.180 nan 0.000 0.526 54 T N 2.114 116.203 114.554 -0.776 0.000 2.802 54 T HA -0.129 4.221 4.350 0.000 0.000 0.269 54 T C 1.791 176.381 174.700 -0.184 0.000 1.062 54 T CA 2.442 64.207 62.100 -0.559 0.000 1.133 54 T CB -0.401 68.006 68.868 -0.769 0.000 0.852 54 T HN 0.335 nan 8.240 nan 0.000 0.485 55 A N 1.018 123.760 122.820 -0.130 0.000 2.415 55 A HA 0.287 4.607 4.320 0.000 0.000 0.248 55 A C 0.442 178.097 177.584 0.119 0.000 1.299 55 A CA -0.507 51.504 52.037 -0.042 0.000 0.899 55 A CB -0.788 18.212 19.000 0.001 0.000 0.997 55 A HN 0.808 nan 8.150 nan 0.000 0.506 56 H N -1.803 117.431 119.070 0.275 0.000 3.016 56 H HA 0.242 4.798 4.556 0.000 0.000 0.345 56 H C 0.928 176.366 175.328 0.185 0.000 1.066 56 H CA -0.011 56.227 56.048 0.317 0.000 1.390 56 H CB 0.730 30.673 29.762 0.300 0.000 1.344 56 H HN 0.073 nan 8.280 nan 0.000 0.605 57 R N 1.962 122.577 120.500 0.191 0.000 2.128 57 R HA 0.064 4.404 4.340 0.000 0.000 0.211 57 R C 0.248 176.632 176.300 0.141 0.000 1.067 57 R CA 0.549 56.712 56.100 0.103 0.000 1.010 57 R CB -0.414 29.965 30.300 0.130 0.000 0.922 57 R HN 0.638 nan 8.270 nan 0.000 0.457 58 T N 3.491 118.189 114.554 0.240 0.000 2.940 58 T HA 0.109 4.459 4.350 0.000 0.000 0.309 58 T C 0.503 175.365 174.700 0.270 0.000 1.056 58 T CA -0.037 62.190 62.100 0.212 0.000 1.137 58 T CB 0.697 69.666 68.868 0.168 0.000 0.976 58 T HN -0.059 nan 8.240 nan 0.000 0.547 59 R N 2.226 122.824 120.500 0.164 0.000 2.457 59 R HA 0.516 4.857 4.340 0.000 0.000 0.284 59 R C -0.271 176.108 176.300 0.131 0.000 1.024 59 R CA -0.717 55.476 56.100 0.155 0.000 1.025 59 R CB 0.390 30.744 30.300 0.089 0.000 1.063 59 R HN 0.580 nan 8.270 nan 0.000 0.493 60 I N 1.748 122.403 120.570 0.142 0.000 2.382 60 I HA 0.232 4.402 4.170 0.000 0.000 0.286 60 I C -0.326 175.834 176.117 0.072 0.000 1.002 60 I CA -1.000 60.355 61.300 0.092 0.000 1.135 60 I CB 1.994 40.047 38.000 0.088 0.000 1.288 60 I HN 0.042 nan 8.210 nan 0.000 0.448 61 V N 5.687 125.629 119.914 0.045 0.000 2.383 61 V HA 0.277 4.397 4.120 0.000 0.000 0.275 61 V C -0.191 175.931 176.094 0.047 0.000 1.036 61 V CA -0.391 61.932 62.300 0.037 0.000 0.889 61 V CB 1.193 33.021 31.823 0.007 0.000 0.985 61 V HN 0.798 nan 8.190 nan 0.000 0.459 62 C N 3.597 122.932 119.300 0.059 0.000 2.351 62 C HA 0.528 4.988 4.460 0.000 0.000 0.326 62 C C 0.861 175.894 174.990 0.071 0.000 1.272 62 C CA -0.633 58.422 59.018 0.062 0.000 1.650 62 C CB 0.964 28.743 27.740 0.066 0.000 2.257 62 C HN 0.858 nan 8.230 nan 0.000 0.505 63 T N 5.655 120.251 114.554 0.070 0.000 2.851 63 T HA 0.232 4.583 4.350 0.000 0.000 0.298 63 T C 0.397 175.150 174.700 0.088 0.000 0.977 63 T CA -0.109 62.040 62.100 0.082 0.000 1.126 63 T CB 0.257 69.173 68.868 0.079 0.000 0.916 63 T HN 0.457 nan 8.240 nan 0.000 0.529 64 M N 2.924 122.588 119.600 0.106 0.000 2.250 64 M HA 0.574 5.054 4.480 0.000 0.000 0.344 64 M C 0.876 177.238 176.300 0.104 0.000 1.150 64 M CA -0.048 55.318 55.300 0.111 0.000 1.147 64 M CB 0.705 33.387 32.600 0.137 0.000 1.498 64 M HN 0.929 nan 8.290 nan 0.000 0.461 65 G N 2.458 111.316 108.800 0.098 0.000 2.341 65 G HA2 0.378 4.338 3.960 0.000 0.000 0.299 65 G HA3 0.378 4.338 3.960 0.000 0.000 0.299 65 G C -2.779 172.182 174.900 0.102 0.000 1.274 65 G CA -0.579 44.567 45.100 0.076 0.000 0.853 65 G HN 0.326 nan 8.290 nan 0.000 0.493 66 P HA -0.062 nan 4.420 nan 0.000 0.216 66 P C 1.976 179.346 177.300 0.117 0.000 1.150 66 P CA 2.399 65.538 63.100 0.065 0.000 0.843 66 P CB -0.077 31.603 31.700 -0.034 0.000 0.787 67 A N -0.213 122.649 122.820 0.071 0.000 2.019 67 A HA -0.142 4.178 4.320 0.000 0.000 0.219 67 A C 1.917 179.557 177.584 0.094 0.000 1.164 67 A CA 1.650 53.723 52.037 0.061 0.000 0.644 67 A CB -1.361 17.651 19.000 0.021 0.000 0.805 67 A HN 0.479 nan 8.150 nan 0.000 0.449 68 C N -2.824 116.544 119.300 0.114 0.000 2.660 68 C HA 0.390 4.850 4.460 0.000 0.000 0.265 68 C C 1.546 176.600 174.990 0.107 0.000 1.573 68 C CA -0.880 58.193 59.018 0.091 0.000 1.751 68 C CB -1.944 25.834 27.740 0.062 0.000 3.033 68 C HN 0.719 nan 8.230 nan 0.000 0.511 69 W N 3.647 124.948 121.300 0.000 0.000 2.335 69 W HA -0.079 4.581 4.660 0.000 0.000 0.311 69 W C 0.282 176.807 176.519 0.009 0.000 1.213 69 W CA 1.693 59.038 57.345 0.000 0.000 1.274 69 W CB -0.714 28.738 29.460 -0.013 0.000 1.148 69 W HN 0.641 nan 8.180 nan 0.000 0.498 70 N N 0.873 119.055 118.700 -0.864 0.000 2.495 70 N HA 0.066 4.806 4.740 0.000 0.000 0.280 70 N C 0.691 175.934 175.510 -0.444 0.000 1.168 70 N CA -0.112 52.320 53.050 -1.030 0.000 0.978 70 N CB 1.397 39.400 38.487 -0.806 0.000 1.191 70 N HN -0.066 nan 8.380 nan 0.000 0.497 71 V N 0.620 120.303 119.914 -0.385 0.000 2.392 71 V HA -0.228 3.892 4.120 0.000 0.000 0.249 71 V C 1.530 177.548 176.094 -0.127 0.000 1.059 71 V CA 1.896 64.070 62.300 -0.210 0.000 1.051 71 V CB -0.619 31.099 31.823 -0.175 0.000 0.658 71 V HN 0.653 nan 8.190 nan 0.000 0.455 72 D N -0.296 120.034 120.400 -0.115 0.000 2.144 72 D HA -0.113 4.527 4.640 0.000 0.000 0.200 72 D C 2.270 178.548 176.300 -0.037 0.000 0.978 72 D CA 1.745 55.710 54.000 -0.058 0.000 0.833 72 D CB -0.238 40.539 40.800 -0.039 0.000 0.961 72 D HN 0.425 nan 8.370 nan 0.000 0.470 73 T N 1.228 115.753 114.554 -0.049 0.000 2.777 73 T HA -0.046 4.305 4.350 0.000 0.000 0.266 73 T C 2.303 176.999 174.700 -0.007 0.000 1.040 73 T CA 0.513 62.603 62.100 -0.015 0.000 1.141 73 T CB -0.204 68.661 68.868 -0.006 0.000 0.868 73 T HN 0.104 nan 8.240 nan 0.000 0.444 74 L N 0.712 121.917 121.223 -0.031 0.000 2.017 74 L HA -0.080 4.260 4.340 0.000 0.000 0.208 74 L C 2.708 179.581 176.870 0.005 0.000 1.073 74 L CA 0.825 55.660 54.840 -0.010 0.000 0.745 74 L CB -0.849 41.193 42.059 -0.028 0.000 0.894 74 L HN 0.103 nan 8.230 nan 0.000 0.432 75 V N 0.131 120.040 119.914 -0.008 0.000 2.324 75 V HA -0.362 3.758 4.120 0.000 0.000 0.250 75 V C 2.530 178.639 176.094 0.025 0.000 1.060 75 V CA 2.007 64.309 62.300 0.004 0.000 1.042 75 V CB -0.513 31.306 31.823 -0.007 0.000 0.650 75 V HN 0.426 nan 8.190 nan 0.000 0.450 76 K N -0.977 119.440 120.400 0.028 0.000 2.097 76 K HA -0.084 4.236 4.320 0.000 0.000 0.205 76 K C 2.115 178.757 176.600 0.070 0.000 1.050 76 K CA 1.433 57.750 56.287 0.050 0.000 0.938 76 K CB -0.222 32.306 32.500 0.047 0.000 0.718 76 K HN 0.389 nan 8.250 nan 0.000 0.442 77 M N 0.326 119.963 119.600 0.061 0.000 2.296 77 M HA -0.113 4.367 4.480 0.000 0.000 0.265 77 M C 1.869 178.222 176.300 0.088 0.000 1.064 77 M CA 1.313 56.658 55.300 0.075 0.000 1.109 77 M CB -0.146 32.491 32.600 0.062 0.000 1.396 77 M HN 0.120 nan 8.290 nan 0.000 0.430 78 I N 0.111 120.724 120.570 0.070 0.000 2.163 78 I HA -0.302 3.868 4.170 0.000 0.000 0.240 78 I C 1.823 177.990 176.117 0.083 0.000 1.081 78 I CA 1.177 62.519 61.300 0.070 0.000 1.353 78 I CB -0.697 37.330 38.000 0.045 0.000 1.054 78 I HN 0.231 nan 8.210 nan 0.000 0.407 79 D N 1.397 121.843 120.400 0.076 0.000 2.133 79 D HA -0.205 4.435 4.640 0.000 0.000 0.195 79 D C 2.154 178.552 176.300 0.163 0.000 0.997 79 D CA 1.720 55.771 54.000 0.084 0.000 0.840 79 D CB -0.282 40.566 40.800 0.080 0.000 0.947 79 D HN 0.395 nan 8.370 nan 0.000 0.452 80 A N -0.553 122.394 122.820 0.211 0.000 2.067 80 A HA 0.296 4.616 4.320 0.000 0.000 0.219 80 A C 1.807 179.608 177.584 0.362 0.000 1.158 80 A CA 1.682 53.917 52.037 0.329 0.000 0.661 80 A CB -0.046 19.069 19.000 0.192 0.000 0.801 80 A HN 0.353 nan 8.150 nan 0.000 0.452 81 G N -2.156 106.797 108.800 0.255 0.000 2.174 81 G HA2 -0.102 3.858 3.960 0.000 0.000 0.140 81 G HA3 -0.102 3.858 3.960 0.000 0.000 0.140 81 G C 0.111 175.140 174.900 0.215 0.000 1.031 81 G CA -0.012 45.267 45.100 0.298 0.000 0.728 81 G HN 0.491 nan 8.290 nan 0.000 0.496 82 M N 0.872 120.561 119.600 0.147 0.000 2.238 82 M HA 0.372 4.853 4.480 0.000 0.000 0.350 82 M C 0.944 177.311 176.300 0.111 0.000 1.321 82 M CA 0.859 56.228 55.300 0.115 0.000 1.097 82 M CB 0.152 32.807 32.600 0.090 0.000 1.713 82 M HN 0.229 nan 8.290 nan 0.000 0.455 83 N N 2.458 121.223 118.700 0.108 0.000 2.445 83 N HA 0.198 4.938 4.740 0.000 0.000 0.204 83 N C -1.116 174.451 175.510 0.096 0.000 1.098 83 N CA -0.205 52.905 53.050 0.100 0.000 0.859 83 N CB 1.106 39.656 38.487 0.106 0.000 1.249 83 N HN 0.392 nan 8.380 nan 0.000 0.462 84 V N 0.989 120.956 119.914 0.088 0.000 2.709 84 V HA 0.363 4.483 4.120 0.000 0.000 0.308 84 V C -0.903 175.245 176.094 0.089 0.000 1.062 84 V CA -0.986 61.369 62.300 0.092 0.000 0.901 84 V CB 1.989 33.843 31.823 0.052 0.000 1.003 84 V HN 0.115 nan 8.190 nan 0.000 0.425 85 C N 4.652 124.017 119.300 0.107 0.000 2.255 85 C HA 0.576 5.036 4.460 0.000 0.000 0.326 85 C C 0.538 175.601 174.990 0.122 0.000 1.258 85 C CA -0.717 58.366 59.018 0.109 0.000 1.676 85 C CB 0.002 27.810 27.740 0.113 0.000 2.314 85 C HN 0.936 nan 8.230 nan 0.000 0.509 86 R N 3.752 124.316 120.500 0.108 0.000 2.254 86 R HA 0.605 4.945 4.340 0.000 0.000 0.318 86 R C -1.222 175.160 176.300 0.137 0.000 1.031 86 R CA -0.399 55.769 56.100 0.112 0.000 0.905 86 R CB 0.427 30.777 30.300 0.084 0.000 1.050 86 R HN 0.796 nan 8.270 nan 0.000 0.456 87 L N 4.171 125.489 121.223 0.158 0.000 2.265 87 L HA 0.303 4.643 4.340 0.000 0.000 0.289 87 L C -0.064 176.896 176.870 0.151 0.000 1.033 87 L CA -0.887 54.049 54.840 0.161 0.000 0.814 87 L CB 1.213 43.379 42.059 0.179 0.000 1.203 87 L HN 0.600 nan 8.230 nan 0.000 0.423 88 N N 2.661 121.447 118.700 0.144 0.000 2.521 88 N HA 0.144 4.884 4.740 0.000 0.000 0.236 88 N C 0.161 175.734 175.510 0.104 0.000 1.067 88 N CA -0.189 52.948 53.050 0.146 0.000 0.939 88 N CB 0.335 38.918 38.487 0.161 0.000 1.201 88 N HN 0.351 nan 8.380 nan 0.000 0.511 89 F N 1.276 121.142 119.950 -0.139 0.000 2.816 89 F HA 0.071 4.598 4.527 0.000 0.000 0.302 89 F C 2.012 177.779 175.800 -0.056 0.000 1.178 89 F CA 0.169 58.081 58.000 -0.145 0.000 1.421 89 F CB -0.067 38.790 39.000 -0.238 0.000 1.114 89 F HN 0.452 nan 8.300 nan 0.000 0.573 90 S N -1.557 114.149 115.700 0.010 0.000 2.447 90 S HA -0.073 4.397 4.470 0.000 0.000 0.233 90 S C 0.543 174.865 174.600 -0.465 0.000 1.006 90 S CA 0.844 58.911 58.200 -0.221 0.000 0.957 90 S CB -0.287 62.725 63.200 -0.313 0.000 0.773 90 S HN 0.336 nan 8.310 nan 0.000 0.507 91 H N -1.011 118.092 119.070 0.056 0.000 2.907 91 H HA 0.556 5.112 4.556 0.000 0.000 0.361 91 H C 0.696 176.020 175.328 -0.007 0.000 1.194 91 H CA -0.104 55.953 56.048 0.016 0.000 1.152 91 H CB 1.047 30.804 29.762 -0.008 0.000 1.867 91 H HN 0.324 nan 8.280 nan 0.000 0.561 92 G N 0.881 109.699 108.800 0.030 0.000 2.782 92 G HA2 -0.122 3.838 3.960 0.000 0.000 0.228 92 G HA3 -0.122 3.838 3.960 0.000 0.000 0.228 92 G C -0.905 173.933 174.900 -0.103 0.000 1.372 92 G CA 0.201 45.175 45.100 -0.210 0.000 0.862 92 G HN 0.952 nan 8.290 nan 0.000 0.547 93 D N -3.819 116.506 120.400 -0.126 0.000 2.798 93 D HA 0.536 5.176 4.640 0.000 0.000 0.308 93 D C 0.963 177.373 176.300 0.183 0.000 1.187 93 D CA -0.225 53.827 54.000 0.086 0.000 1.033 93 D CB 0.146 40.995 40.800 0.080 0.000 1.445 93 D HN 0.488 nan 8.370 nan 0.000 0.550 94 H N -0.595 118.550 119.070 0.126 0.000 2.395 94 H HA -0.020 4.536 4.556 0.000 0.000 0.299 94 H C 1.096 176.620 175.328 0.326 0.000 1.070 94 H CA 1.153 57.375 56.048 0.290 0.000 1.356 94 H CB 0.429 30.411 29.762 0.367 0.000 1.401 94 H HN 0.482 nan 8.280 nan 0.000 0.524 95 E N 0.119 120.506 120.200 0.311 0.000 2.058 95 E HA -0.139 4.211 4.350 0.000 0.000 0.194 95 E C 2.205 178.891 176.600 0.144 0.000 0.997 95 E CA 1.429 57.952 56.400 0.204 0.000 0.801 95 E CB -0.013 29.766 29.700 0.130 0.000 0.746 95 E HN 0.249 nan 8.360 nan 0.000 0.450 96 T N -0.072 114.507 114.554 0.041 0.000 2.737 96 T HA -0.120 4.230 4.350 0.000 0.000 0.265 96 T C 1.588 176.215 174.700 -0.122 0.000 1.038 96 T CA 0.940 62.988 62.100 -0.087 0.000 1.144 96 T CB -0.157 68.579 68.868 -0.219 0.000 0.866 96 T HN 0.243 nan 8.240 nan 0.000 0.434 97 H N 0.411 119.437 119.070 -0.073 0.000 2.495 97 H HA 0.233 4.789 4.556 0.000 0.000 0.287 97 H C 2.417 177.922 175.328 0.295 0.000 1.033 97 H CA 0.999 56.995 56.048 -0.087 0.000 1.307 97 H CB -0.266 29.100 29.762 -0.661 0.000 1.401 97 H HN 0.385 nan 8.280 nan 0.000 0.555 98 A N 1.256 124.386 122.820 0.517 0.000 1.898 98 A HA -0.139 4.181 4.320 0.000 0.000 0.216 98 A C 2.493 180.222 177.584 0.242 0.000 1.181 98 A CA 0.838 53.134 52.037 0.431 0.000 0.620 98 A CB -0.326 18.879 19.000 0.343 0.000 0.819 98 A HN 0.248 nan 8.150 nan 0.000 0.442 99 R N -0.799 119.818 120.500 0.195 0.000 2.091 99 R HA -0.121 4.219 4.340 0.000 0.000 0.238 99 R C 2.254 178.646 176.300 0.152 0.000 1.136 99 R CA 1.955 58.152 56.100 0.162 0.000 0.959 99 R CB -0.731 29.676 30.300 0.178 0.000 0.856 99 R HN 0.558 nan 8.270 nan 0.000 0.437 100 T N 0.515 115.173 114.554 0.174 0.000 2.746 100 T HA -0.104 4.246 4.350 0.000 0.000 0.267 100 T C 1.948 176.735 174.700 0.144 0.000 1.039 100 T CA 1.314 63.508 62.100 0.158 0.000 1.142 100 T CB -0.164 68.816 68.868 0.187 0.000 0.866 100 T HN 0.011 nan 8.240 nan 0.000 0.444 101 V N 1.610 121.641 119.914 0.195 0.000 2.343 101 V HA -0.216 3.904 4.120 0.000 0.000 0.247 101 V C 2.643 178.785 176.094 0.081 0.000 1.051 101 V CA 1.630 64.022 62.300 0.153 0.000 1.036 101 V CB -0.701 31.227 31.823 0.176 0.000 0.654 101 V HN 0.529 nan 8.190 nan 0.000 0.451 102 Q N -0.012 119.833 119.800 0.074 0.000 2.096 102 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 102 Q C 2.135 178.136 176.000 0.002 0.000 0.982 102 Q CA 1.754 57.578 55.803 0.034 0.000 0.850 102 Q CB -0.312 28.452 28.738 0.042 0.000 0.901 102 Q HN 0.618 nan 8.270 nan 0.000 0.422 103 N N 0.408 119.100 118.700 -0.014 0.000 2.331 103 N HA -0.053 4.687 4.740 0.000 0.000 0.180 103 N C 1.722 177.201 175.510 -0.052 0.000 1.019 103 N CA 0.851 53.852 53.050 -0.081 0.000 0.881 103 N CB -0.027 38.359 38.487 -0.168 0.000 0.972 103 N HN 0.267 nan 8.380 nan 0.000 0.435 104 I N 1.352 121.921 120.570 -0.003 0.000 2.193 104 I HA -0.255 3.915 4.170 0.000 0.000 0.240 104 I C 2.247 178.367 176.117 0.006 0.000 1.084 104 I CA 0.975 62.284 61.300 0.014 0.000 1.365 104 I CB -0.257 37.774 38.000 0.051 0.000 1.064 104 I HN 0.070 nan 8.210 nan 0.000 0.410 105 Q N 0.264 120.069 119.800 0.009 0.000 2.133 105 Q HA -0.314 4.026 4.340 0.000 0.000 0.208 105 Q C 2.104 178.097 176.000 -0.011 0.000 0.991 105 Q CA 2.126 57.929 55.803 -0.000 0.000 0.867 105 Q CB -0.174 28.564 28.738 -0.001 0.000 0.911 105 Q HN 0.348 nan 8.270 nan 0.000 0.417 106 E N 0.283 120.471 120.200 -0.021 0.000 2.107 106 E HA -0.109 4.241 4.350 0.000 0.000 0.191 106 E C 1.743 178.323 176.600 -0.033 0.000 0.982 106 E CA 1.226 57.607 56.400 -0.031 0.000 0.809 106 E CB -0.215 29.457 29.700 -0.047 0.000 0.756 106 E HN 0.341 nan 8.360 nan 0.000 0.459 107 A N 0.382 123.181 122.820 -0.036 0.000 1.902 107 A HA -0.167 4.153 4.320 0.000 0.000 0.217 107 A C 2.278 179.854 177.584 -0.014 0.000 1.181 107 A CA 1.796 53.815 52.037 -0.030 0.000 0.623 107 A CB -0.595 18.388 19.000 -0.029 0.000 0.818 107 A HN 0.357 nan 8.150 nan 0.000 0.443 108 M N -0.759 118.837 119.600 -0.007 0.000 2.267 108 M HA -0.172 4.309 4.480 0.000 0.000 0.263 108 M C 1.948 178.243 176.300 -0.008 0.000 1.063 108 M CA 1.439 56.737 55.300 -0.003 0.000 1.090 108 M CB -0.241 32.360 32.600 0.001 0.000 1.392 108 M HN 0.329 nan 8.290 nan 0.000 0.422 109 K N -0.212 120.180 120.400 -0.013 0.000 2.211 109 K HA -0.139 4.181 4.320 0.000 0.000 0.203 109 K C 1.794 178.386 176.600 -0.013 0.000 1.050 109 K CA 1.001 57.280 56.287 -0.014 0.000 0.945 109 K CB 0.016 32.507 32.500 -0.016 0.000 0.732 109 K HN 0.461 nan 8.250 nan 0.000 0.451 110 Q N -0.274 119.518 119.800 -0.014 0.000 2.398 110 Q HA 0.046 4.386 4.340 0.000 0.000 0.204 110 Q C -0.028 175.967 176.000 -0.008 0.000 0.932 110 Q CA 0.479 56.275 55.803 -0.012 0.000 0.916 110 Q CB 0.648 29.378 28.738 -0.014 0.000 1.024 110 Q HN -0.064 nan 8.270 nan 0.000 0.504 111 R N 0.581 121.077 120.500 -0.006 0.000 2.564 111 R HA 0.184 4.524 4.340 0.000 0.000 0.282 111 R C -2.211 174.085 176.300 -0.005 0.000 1.573 111 R CA -1.687 54.410 56.100 -0.004 0.000 1.588 111 R CB 0.719 31.020 30.300 0.002 0.000 1.154 111 R HN 0.081 nan 8.270 nan 0.000 0.606 112 P HA -0.088 nan 4.420 nan 0.000 0.223 112 P C 0.544 177.837 177.300 -0.011 0.000 1.151 112 P CA 0.970 64.064 63.100 -0.011 0.000 0.787 112 P CB 0.578 32.271 31.700 -0.012 0.000 0.788 113 E N -0.139 120.055 120.200 -0.011 0.000 2.285 113 E HA 0.095 4.445 4.350 0.000 0.000 0.194 113 E C 0.892 177.488 176.600 -0.007 0.000 0.997 113 E CA -0.094 56.298 56.400 -0.012 0.000 0.845 113 E CB -0.099 29.592 29.700 -0.015 0.000 0.782 113 E HN 0.196 nan 8.360 nan 0.000 0.491 114 A N 1.642 124.462 122.820 -0.002 0.000 2.401 114 A HA 0.276 4.596 4.320 0.000 0.000 0.259 114 A C -0.005 177.584 177.584 0.009 0.000 1.103 114 A CA -0.106 51.935 52.037 0.008 0.000 0.789 114 A CB 0.416 19.425 19.000 0.015 0.000 1.035 114 A HN -0.010 nan 8.150 nan 0.000 0.491 115 R N 2.390 122.900 120.500 0.017 0.000 2.467 115 R HA 0.316 4.656 4.340 0.000 0.000 0.299 115 R C -1.675 174.649 176.300 0.039 0.000 1.120 115 R CA -0.677 55.433 56.100 0.017 0.000 0.940 115 R CB 0.948 31.252 30.300 0.006 0.000 1.161 115 R HN 0.538 nan 8.270 nan 0.000 0.506 116 L N 2.067 123.317 121.223 0.046 0.000 2.292 116 L HA 0.463 4.803 4.340 0.000 0.000 0.284 116 L C 0.630 177.556 176.870 0.094 0.000 1.065 116 L CA -0.605 54.278 54.840 0.072 0.000 0.806 116 L CB 1.224 43.323 42.059 0.067 0.000 1.175 116 L HN 0.583 nan 8.230 nan 0.000 0.431 117 A N 5.607 128.512 122.820 0.143 0.000 2.401 117 A HA 0.606 4.926 4.320 0.000 0.000 0.259 117 A C -0.068 177.640 177.584 0.208 0.000 1.103 117 A CA -0.255 51.911 52.037 0.214 0.000 0.789 117 A CB -0.063 19.180 19.000 0.406 0.000 1.035 117 A HN 0.638 nan 8.150 nan 0.000 0.491 118 I N 2.097 122.789 120.570 0.202 0.000 2.377 118 I HA 0.422 4.592 4.170 0.000 0.000 0.293 118 I C -0.369 175.901 176.117 0.255 0.000 0.987 118 I CA -0.345 61.074 61.300 0.197 0.000 1.185 118 I CB 1.570 39.667 38.000 0.161 0.000 1.341 118 I HN 0.637 nan 8.210 nan 0.000 0.455 119 L N 7.232 128.593 121.223 0.229 0.000 2.356 119 L HA 0.581 4.921 4.340 0.000 0.000 0.277 119 L C -1.406 175.553 176.870 0.148 0.000 0.996 119 L CA -0.613 54.363 54.840 0.227 0.000 0.822 119 L CB 1.864 44.022 42.059 0.165 0.000 1.256 119 L HN 0.564 nan 8.230 nan 0.000 0.413 120 L N 4.795 126.073 121.223 0.091 0.000 2.257 120 L HA 0.434 4.774 4.340 0.000 0.000 0.290 120 L C -0.907 175.949 176.870 -0.023 0.000 1.044 120 L CA -0.267 54.559 54.840 -0.024 0.000 0.810 120 L CB 0.852 42.782 42.059 -0.216 0.000 1.193 120 L HN 0.619 nan 8.230 nan 0.000 0.425 121 D N 3.798 124.220 120.400 0.036 0.000 2.373 121 D HA 0.168 4.808 4.640 0.000 0.000 0.227 121 D C -0.121 176.208 176.300 0.048 0.000 1.091 121 D CA -0.202 53.827 54.000 0.047 0.000 0.840 121 D CB 1.318 42.163 40.800 0.075 0.000 1.060 121 D HN 0.586 nan 8.370 nan 0.000 0.502 122 T N 0.848 115.407 114.554 0.008 0.000 2.900 122 T HA 0.096 4.446 4.350 0.000 0.000 0.307 122 T C 1.312 176.041 174.700 0.049 0.000 1.065 122 T CA -0.415 61.693 62.100 0.013 0.000 1.105 122 T CB 1.888 70.757 68.868 0.001 0.000 0.979 122 T HN 0.404 nan 8.240 nan 0.000 0.544 123 K N 2.057 122.491 120.400 0.056 0.000 1.984 123 K HA 0.155 4.475 4.320 0.000 0.000 0.209 123 K C 1.313 177.913 176.600 -0.000 0.000 1.046 123 K CA 1.254 57.550 56.287 0.015 0.000 0.934 123 K CB -1.101 31.407 32.500 0.014 0.000 0.717 123 K HN 1.153 nan 8.250 nan 0.000 0.438 124 G N 0.616 109.425 108.800 0.015 0.000 2.698 124 G HA2 -0.229 3.731 3.960 0.000 0.000 0.233 124 G HA3 -0.229 3.731 3.960 0.000 0.000 0.233 124 G C -2.621 172.249 174.900 -0.049 0.000 1.352 124 G CA -0.252 44.855 45.100 0.012 0.000 0.879 124 G HN 0.323 nan 8.290 nan 0.000 0.567 125 P HA 0.406 nan 4.420 nan 0.000 0.278 125 P C -0.589 176.535 177.300 -0.293 0.000 1.238 125 P CA 0.123 63.116 63.100 -0.179 0.000 0.794 125 P CB 1.137 32.720 31.700 -0.194 0.000 0.955 126 E N 1.741 121.792 120.200 -0.249 0.000 2.367 126 E HA 0.574 4.924 4.350 0.000 0.000 0.273 126 E C -0.672 175.786 176.600 -0.237 0.000 0.903 126 E CA -0.855 55.394 56.400 -0.253 0.000 0.764 126 E CB 2.117 31.718 29.700 -0.165 0.000 1.252 126 E HN 0.362 nan 8.360 nan 0.000 0.446 127 I N 1.665 122.099 120.570 -0.228 0.000 2.436 127 I HA 0.450 4.620 4.170 0.000 0.000 0.289 127 I C -0.269 175.790 176.117 -0.098 0.000 1.010 127 I CA -0.614 60.587 61.300 -0.167 0.000 1.098 127 I CB 1.628 39.514 38.000 -0.190 0.000 1.266 127 I HN 0.221 nan 8.210 nan 0.000 0.434 128 R N 2.672 123.132 120.500 -0.066 0.000 2.744 128 R HA 0.504 4.844 4.340 0.000 0.000 0.279 128 R C -0.346 176.008 176.300 0.090 0.000 0.977 128 R CA -0.750 55.348 56.100 -0.004 0.000 0.906 128 R CB 2.511 32.812 30.300 0.001 0.000 1.197 128 R HN 0.734 nan 8.270 nan 0.000 0.463 129 T N -0.868 113.727 114.554 0.069 0.000 2.802 129 T HA 0.280 4.630 4.350 0.000 0.000 0.305 129 T C 0.880 175.619 174.700 0.066 0.000 1.053 129 T CA -0.394 61.755 62.100 0.081 0.000 1.058 129 T CB 0.976 69.849 68.868 0.008 0.000 0.988 129 T HN 0.617 nan 8.240 nan 0.000 0.539 130 G N -0.183 108.578 108.800 -0.065 0.000 2.531 130 G HA2 0.555 4.515 3.960 0.000 0.000 0.253 130 G HA3 0.555 4.515 3.960 0.000 0.000 0.253 130 G C -0.706 173.907 174.900 -0.479 0.000 1.439 130 G CA -1.168 43.629 45.100 -0.506 0.000 1.056 130 G HN 0.625 nan 8.290 nan 0.000 0.555 131 F N -0.962 118.843 119.950 -0.242 0.000 2.370 131 F HA 0.615 5.142 4.527 0.000 0.000 0.319 131 F C 0.564 176.279 175.800 -0.142 0.000 1.129 131 F CA -0.339 57.567 58.000 -0.156 0.000 1.109 131 F CB 1.181 40.074 39.000 -0.178 0.000 1.262 131 F HN -0.024 nan 8.300 nan 0.000 0.534 132 L N 0.794 122.052 121.223 0.059 0.000 2.370 132 L HA 0.389 4.729 4.340 0.000 0.000 0.266 132 L C -0.230 176.583 176.870 -0.095 0.000 1.002 132 L CA -1.285 53.545 54.840 -0.017 0.000 0.818 132 L CB 1.984 44.044 42.059 0.002 0.000 1.325 132 L HN 0.491 nan 8.230 nan 0.000 0.418 133 K N 1.764 122.119 120.400 -0.074 0.000 2.530 133 K HA -0.105 4.215 4.320 0.000 0.000 0.280 133 K C -0.189 176.358 176.600 -0.089 0.000 1.004 133 K CA 0.466 56.701 56.287 -0.088 0.000 1.071 133 K CB 0.190 32.661 32.500 -0.048 0.000 0.876 133 K HN 0.642 nan 8.250 nan 0.000 0.487 134 D N 3.492 123.825 120.400 -0.112 0.000 2.955 134 D HA -0.247 4.393 4.640 0.000 0.000 0.226 134 D C -0.233 176.107 176.300 0.068 0.000 1.178 134 D CA 1.416 55.403 54.000 -0.021 0.000 0.808 134 D CB -1.308 39.501 40.800 0.016 0.000 1.099 134 D HN 0.886 nan 8.370 nan 0.000 0.421 135 H N -4.157 114.933 119.070 0.033 0.000 2.971 135 H HA -0.213 4.343 4.556 0.000 0.000 0.281 135 H C 0.964 176.315 175.328 0.038 0.000 1.131 135 H CA 1.696 57.776 56.048 0.054 0.000 1.166 135 H CB -2.184 27.610 29.762 0.053 0.000 1.311 135 H HN 0.682 nan 8.280 nan 0.000 0.349 136 K N 1.428 121.881 120.400 0.087 0.000 2.248 136 K HA 0.462 4.782 4.320 0.000 0.000 0.281 136 K C -2.388 174.237 176.600 0.041 0.000 1.054 136 K CA -1.492 54.831 56.287 0.060 0.000 0.903 136 K CB 0.362 32.885 32.500 0.038 0.000 1.077 136 K HN -0.036 nan 8.250 nan 0.000 0.474 137 P HA 0.194 nan 4.420 nan 0.000 0.267 137 P C -0.219 177.093 177.300 0.019 0.000 1.200 137 P CA -0.243 62.874 63.100 0.029 0.000 0.772 137 P CB 0.258 31.974 31.700 0.027 0.000 0.855 138 I N -1.974 118.605 120.570 0.015 0.000 2.493 138 I HA 0.571 4.741 4.170 0.000 0.000 0.298 138 I C -0.599 175.524 176.117 0.011 0.000 0.998 138 I CA -0.525 60.781 61.300 0.011 0.000 1.137 138 I CB 2.139 40.144 38.000 0.008 0.000 1.310 138 I HN 0.031 nan 8.210 nan 0.000 0.445 139 T N 6.869 121.429 114.554 0.009 0.000 2.758 139 T HA 0.497 4.847 4.350 0.000 0.000 0.285 139 T C -0.291 174.414 174.700 0.008 0.000 0.981 139 T CA -0.449 61.657 62.100 0.009 0.000 0.965 139 T CB 0.988 69.861 68.868 0.008 0.000 0.927 139 T HN 0.265 nan 8.240 nan 0.000 0.448 140 L N 3.563 124.792 121.223 0.009 0.000 2.275 140 L HA 0.468 4.808 4.340 0.000 0.000 0.288 140 L C 0.434 177.309 176.870 0.009 0.000 1.046 140 L CA -0.593 54.253 54.840 0.010 0.000 0.805 140 L CB 1.077 43.143 42.059 0.012 0.000 1.193 140 L HN 0.615 nan 8.230 nan 0.000 0.426 141 Q N 1.601 121.406 119.800 0.008 0.000 2.293 141 Q HA 0.172 4.512 4.340 0.000 0.000 0.251 141 Q C -0.048 175.958 176.000 0.009 0.000 0.930 141 Q CA 0.066 55.874 55.803 0.008 0.000 0.893 141 Q CB 0.796 29.538 28.738 0.007 0.000 1.215 141 Q HN 0.455 nan 8.270 nan 0.000 0.425 142 Q N 1.128 120.933 119.800 0.009 0.000 2.304 142 Q HA 0.093 4.433 4.340 0.000 0.000 0.315 142 Q C 0.491 176.497 176.000 0.009 0.000 1.075 142 Q CA 1.314 57.123 55.803 0.009 0.000 0.988 142 Q CB -0.117 28.626 28.738 0.008 0.000 1.146 142 Q HN 0.893 nan 8.270 nan 0.000 0.383 143 G N 1.966 110.773 108.800 0.010 0.000 2.175 143 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 143 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 143 G C 0.127 175.033 174.900 0.011 0.000 0.982 143 G CA -0.019 45.087 45.100 0.011 0.000 0.641 143 G HN 1.044 nan 8.290 nan 0.000 0.527 144 A N 0.375 123.202 122.820 0.011 0.000 2.407 144 A HA 0.687 5.007 4.320 0.000 0.000 0.248 144 A C 0.824 178.417 177.584 0.015 0.000 1.082 144 A CA 1.208 53.252 52.037 0.012 0.000 0.785 144 A CB 0.485 19.491 19.000 0.010 0.000 1.020 144 A HN 1.725 nan 8.150 nan 0.000 0.489 145 T N 1.438 116.001 114.554 0.015 0.000 2.771 145 T HA 0.481 4.831 4.350 0.000 0.000 0.291 145 T C -0.674 174.038 174.700 0.021 0.000 0.954 145 T CA -0.361 61.751 62.100 0.020 0.000 1.045 145 T CB 0.167 69.047 68.868 0.021 0.000 0.917 145 T HN 0.813 nan 8.240 nan 0.000 0.484 146 L N 4.528 125.769 121.223 0.028 0.000 2.372 146 L HA 0.549 4.889 4.340 0.000 0.000 0.274 146 L C -0.187 176.712 176.870 0.047 0.000 0.988 146 L CA -0.558 54.300 54.840 0.031 0.000 0.833 146 L CB 1.485 43.562 42.059 0.029 0.000 1.236 146 L HN 0.760 nan 8.230 nan 0.000 0.410 147 K N 5.557 125.986 120.400 0.047 0.000 2.249 147 K HA 0.470 4.790 4.320 0.000 0.000 0.280 147 K C -1.102 175.546 176.600 0.080 0.000 1.033 147 K CA -0.328 56.005 56.287 0.077 0.000 0.946 147 K CB 0.573 33.097 32.500 0.041 0.000 1.005 147 K HN 0.710 nan 8.250 nan 0.000 0.469 148 I N 5.568 126.205 120.570 0.111 0.000 2.389 148 I HA 0.181 4.351 4.170 0.000 0.000 0.288 148 I C -0.007 176.187 176.117 0.129 0.000 0.999 148 I CA -1.100 60.260 61.300 0.100 0.000 1.129 148 I CB 1.682 39.732 38.000 0.083 0.000 1.288 148 I HN 0.375 nan 8.210 nan 0.000 0.444 149 V N 1.782 121.766 119.914 0.117 0.000 2.975 149 V HA 0.503 4.623 4.120 0.000 0.000 0.318 149 V C 0.458 176.621 176.094 0.116 0.000 1.077 149 V CA -0.220 62.156 62.300 0.128 0.000 1.000 149 V CB 1.560 33.443 31.823 0.101 0.000 1.066 149 V HN 0.741 nan 8.190 nan 0.000 0.452 150 T N 0.401 115.015 114.554 0.100 0.000 3.037 150 T HA 0.088 4.438 4.350 0.000 0.000 0.251 150 T C 0.491 175.257 174.700 0.110 0.000 1.079 150 T CA 0.872 63.018 62.100 0.077 0.000 1.067 150 T CB -0.334 68.547 68.868 0.022 0.000 0.948 150 T HN 0.941 nan 8.240 nan 0.000 0.496 151 D N 0.933 121.399 120.400 0.110 0.000 2.367 151 D HA -0.011 4.629 4.640 0.000 0.000 0.255 151 D C 0.259 176.658 176.300 0.164 0.000 1.300 151 D CA -0.264 53.805 54.000 0.115 0.000 0.959 151 D CB 0.035 40.879 40.800 0.074 0.000 1.064 151 D HN 0.187 nan 8.370 nan 0.000 0.509 152 Y N 3.553 123.883 120.300 0.049 0.000 2.632 152 Y HA 0.017 4.568 4.550 0.000 0.000 0.301 152 Y C 1.191 177.157 175.900 0.109 0.000 1.172 152 Y CA 0.574 58.716 58.100 0.070 0.000 1.328 152 Y CB 0.051 38.550 38.460 0.065 0.000 1.016 152 Y HN 0.411 nan 8.280 nan 0.000 0.529 153 N N 0.160 118.914 118.700 0.089 0.000 2.422 153 N HA -0.024 4.716 4.740 0.000 0.000 0.181 153 N C 0.234 175.741 175.510 -0.005 0.000 1.080 153 N CA 0.190 53.258 53.050 0.030 0.000 0.893 153 N CB -0.033 38.478 38.487 0.040 0.000 0.973 153 N HN 0.309 nan 8.380 nan 0.000 0.456 154 L N 2.008 123.230 121.223 -0.001 0.000 2.462 154 L HA 0.078 4.418 4.340 0.000 0.000 0.272 154 L C -0.356 176.501 176.870 -0.022 0.000 1.166 154 L CA -0.108 54.727 54.840 -0.008 0.000 0.880 154 L CB 0.387 42.450 42.059 0.007 0.000 1.142 154 L HN -0.125 nan 8.230 nan 0.000 0.473 155 I N 5.995 126.549 120.570 -0.027 0.000 2.322 155 I HA 0.229 4.399 4.170 0.000 0.000 0.292 155 I C 1.093 177.194 176.117 -0.027 0.000 1.060 155 I CA 0.072 61.354 61.300 -0.031 0.000 1.309 155 I CB -0.039 37.924 38.000 -0.062 0.000 1.415 155 I HN 0.684 nan 8.210 nan 0.000 0.492 156 G N 5.264 114.052 108.800 -0.019 0.000 2.621 156 G HA2 0.391 4.351 3.960 0.000 0.000 0.271 156 G HA3 0.391 4.351 3.960 0.000 0.000 0.271 156 G C -0.748 174.143 174.900 -0.016 0.000 1.236 156 G CA -0.112 44.979 45.100 -0.015 0.000 0.958 156 G HN 0.518 nan 8.290 nan 0.000 0.512 157 D N -2.410 117.985 120.400 -0.009 0.000 2.583 157 D HA 0.301 4.941 4.640 0.000 0.000 0.248 157 D C 0.948 177.247 176.300 -0.002 0.000 1.209 157 D CA -0.642 53.353 54.000 -0.008 0.000 0.848 157 D CB 1.944 42.738 40.800 -0.009 0.000 1.431 157 D HN 0.290 nan 8.370 nan 0.000 0.436 158 E N -0.690 119.509 120.200 -0.001 0.000 2.169 158 E HA -0.219 4.132 4.350 0.000 0.000 0.202 158 E C 1.710 178.312 176.600 0.003 0.000 1.016 158 E CA 2.462 58.863 56.400 0.002 0.000 0.817 158 E CB -0.058 29.643 29.700 0.001 0.000 0.736 158 E HN 0.588 nan 8.360 nan 0.000 0.462 159 T N -3.825 110.729 114.554 0.000 0.000 3.035 159 T HA 0.027 4.377 4.350 0.000 0.000 0.259 159 T C 0.934 175.636 174.700 0.004 0.000 1.078 159 T CA 0.907 63.008 62.100 0.000 0.000 1.132 159 T CB 0.252 69.115 68.868 -0.007 0.000 0.900 159 T HN 0.134 nan 8.240 nan 0.000 0.480 160 T N 0.894 115.450 114.554 0.004 0.000 3.041 160 T HA 0.594 4.944 4.350 0.000 0.000 0.321 160 T C -1.145 173.562 174.700 0.011 0.000 1.184 160 T CA -1.093 61.014 62.100 0.010 0.000 1.050 160 T CB 1.306 70.175 68.868 0.002 0.000 1.159 160 T HN 0.569 nan 8.240 nan 0.000 0.469 161 I N 1.479 122.063 120.570 0.024 0.000 3.002 161 I HA 0.983 5.153 4.170 0.000 0.000 0.310 161 I C -0.111 176.033 176.117 0.044 0.000 1.087 161 I CA -1.664 59.649 61.300 0.021 0.000 1.017 161 I CB 1.829 39.840 38.000 0.019 0.000 1.226 161 I HN 0.812 nan 8.210 nan 0.000 0.443 162 A N 2.199 125.043 122.820 0.040 0.000 2.269 162 A HA 0.732 5.052 4.320 0.000 0.000 0.319 162 A C -0.677 177.024 177.584 0.195 0.000 1.110 162 A CA -0.477 51.626 52.037 0.110 0.000 0.847 162 A CB 1.222 20.277 19.000 0.090 0.000 1.161 162 A HN 0.953 nan 8.150 nan 0.000 0.497 163 C N 0.671 120.128 119.300 0.261 0.000 2.498 163 C HA 0.598 5.058 4.460 0.000 0.000 0.316 163 C C 1.707 176.780 174.990 0.139 0.000 1.209 163 C CA 0.149 59.301 59.018 0.223 0.000 1.518 163 C CB 0.975 28.795 27.740 0.134 0.000 2.147 163 C HN 1.181 nan 8.230 nan 0.000 0.483 164 S N 2.875 118.491 115.700 -0.139 0.000 2.481 164 S HA -0.079 4.391 4.470 0.000 0.000 0.231 164 S C 0.410 174.884 174.600 -0.211 0.000 0.996 164 S CA 0.522 58.334 58.200 -0.646 0.000 0.942 164 S CB -0.400 62.361 63.200 -0.732 0.000 0.768 164 S HN 0.897 nan 8.310 nan 0.000 0.520 165 Y N 2.317 122.511 120.300 -0.176 0.000 2.535 165 Y HA 0.526 5.076 4.550 0.000 0.000 0.349 165 Y C 1.412 177.273 175.900 -0.066 0.000 0.992 165 Y CA -0.773 57.259 58.100 -0.113 0.000 1.248 165 Y CB 0.282 38.690 38.460 -0.087 0.000 1.124 165 Y HN 0.142 nan 8.280 nan 0.000 0.520 166 G N 3.532 112.199 108.800 -0.222 0.000 2.448 166 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 166 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 166 G C 1.144 175.817 174.900 -0.378 0.000 1.127 166 G CA 0.603 45.568 45.100 -0.225 0.000 0.766 166 G HN 0.724 nan 8.290 nan 0.000 0.552 167 A N -0.055 122.309 122.820 -0.760 0.000 2.411 167 A HA 0.509 4.829 4.320 0.000 0.000 0.251 167 A C 1.816 178.909 177.584 -0.819 0.000 1.317 167 A CA -0.067 51.535 52.037 -0.725 0.000 0.904 167 A CB -0.130 18.508 19.000 -0.603 0.000 0.993 167 A HN 0.308 nan 8.150 nan 0.000 0.504 168 L N 0.806 121.629 121.223 -0.668 0.000 1.994 168 L HA -0.011 4.329 4.340 0.000 0.000 0.208 168 L C -0.901 175.903 176.870 -0.110 0.000 1.071 168 L CA 2.552 57.262 54.840 -0.217 0.000 0.745 168 L CB -0.974 41.080 42.059 -0.009 0.000 0.892 168 L HN 0.187 nan 8.230 nan 0.000 0.431 169 P HA -0.137 nan 4.420 nan 0.000 0.218 169 P C 1.203 178.438 177.300 -0.108 0.000 1.149 169 P CA 1.258 64.283 63.100 -0.126 0.000 0.817 169 P CB 0.016 31.613 31.700 -0.171 0.000 0.785 170 Q N -1.302 118.429 119.800 -0.114 0.000 2.389 170 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 170 Q C 2.031 178.008 176.000 -0.038 0.000 0.944 170 Q CA 0.951 56.707 55.803 -0.079 0.000 0.908 170 Q CB -0.657 28.030 28.738 -0.084 0.000 1.002 170 Q HN 0.153 nan 8.270 nan 0.000 0.493 171 S N -0.872 114.817 115.700 -0.017 0.000 2.446 171 S HA 0.082 4.552 4.470 0.000 0.000 0.225 171 S C 0.642 175.273 174.600 0.051 0.000 1.016 171 S CA 0.065 58.302 58.200 0.062 0.000 0.943 171 S CB 0.410 63.731 63.200 0.201 0.000 0.786 171 S HN 0.081 nan 8.310 nan 0.000 0.508 172 V N 2.425 122.353 119.914 0.024 0.000 2.815 172 V HA 0.503 4.623 4.120 0.000 0.000 0.314 172 V C -0.817 175.273 176.094 -0.006 0.000 1.064 172 V CA -0.830 61.482 62.300 0.020 0.000 0.952 172 V CB 2.143 33.984 31.823 0.030 0.000 1.020 172 V HN 0.291 nan 8.190 nan 0.000 0.439 173 K N 3.051 123.449 120.400 -0.003 0.000 2.433 173 K HA 0.660 4.980 4.320 0.000 0.000 0.252 173 K C -3.129 173.467 176.600 -0.006 0.000 1.015 173 K CA -2.186 54.094 56.287 -0.012 0.000 0.860 173 K CB 1.502 33.995 32.500 -0.010 0.000 1.359 173 K HN 0.227 nan 8.250 nan 0.000 0.452 174 P HA -0.066 nan 4.420 nan 0.000 0.261 174 P C 0.617 177.919 177.300 0.004 0.000 1.173 174 P CA 1.826 64.926 63.100 -0.000 0.000 0.760 174 P CB 0.153 31.853 31.700 -0.000 0.000 0.783 175 G N 2.392 111.197 108.800 0.008 0.000 2.254 175 G HA2 -0.229 3.731 3.960 0.000 0.000 0.225 175 G HA3 -0.229 3.731 3.960 0.000 0.000 0.225 175 G C 0.322 175.228 174.900 0.010 0.000 1.003 175 G CA -0.339 44.766 45.100 0.008 0.000 0.622 175 G HN 0.572 nan 8.290 nan 0.000 0.507 176 N N 1.191 119.898 118.700 0.011 0.000 2.479 176 N HA 0.454 5.194 4.740 0.000 0.000 0.257 176 N C -0.058 175.463 175.510 0.018 0.000 1.232 176 N CA 1.008 54.067 53.050 0.016 0.000 0.920 176 N CB 0.553 39.052 38.487 0.019 0.000 1.105 176 N HN 0.185 nan 8.380 nan 0.000 0.444 177 T N 2.200 116.765 114.554 0.020 0.000 2.829 177 T HA 0.462 4.812 4.350 0.000 0.000 0.282 177 T C -0.001 174.714 174.700 0.025 0.000 0.990 177 T CA -0.325 61.788 62.100 0.021 0.000 1.028 177 T CB 0.466 69.345 68.868 0.018 0.000 0.951 177 T HN 0.243 nan 8.240 nan 0.000 0.460 178 I N 3.539 124.125 120.570 0.027 0.000 2.406 178 I HA 0.357 4.527 4.170 0.000 0.000 0.290 178 I C -1.045 175.087 176.117 0.025 0.000 0.999 178 I CA -0.949 60.369 61.300 0.030 0.000 1.124 178 I CB 1.659 39.681 38.000 0.037 0.000 1.289 178 I HN 0.241 nan 8.210 nan 0.000 0.441 179 L N 7.567 128.803 121.223 0.022 0.000 2.295 179 L HA 0.556 4.896 4.340 0.000 0.000 0.285 179 L C -0.339 176.540 176.870 0.015 0.000 1.035 179 L CA -0.141 54.710 54.840 0.018 0.000 0.806 179 L CB 1.312 43.382 42.059 0.017 0.000 1.214 179 L HN 0.374 nan 8.230 nan 0.000 0.426 180 I N 3.069 123.648 120.570 0.014 0.000 2.509 180 I HA 0.619 4.789 4.170 0.000 0.000 0.293 180 I C 0.219 176.342 176.117 0.010 0.000 1.020 180 I CA -1.147 60.161 61.300 0.012 0.000 1.088 180 I CB 1.824 39.833 38.000 0.016 0.000 1.267 180 I HN 0.707 nan 8.210 nan 0.000 0.430 181 A N 4.645 127.469 122.820 0.007 0.000 2.301 181 A HA -0.158 4.162 4.320 0.000 0.000 0.283 181 A C 0.367 177.956 177.584 0.010 0.000 1.419 181 A CA 0.451 52.492 52.037 0.007 0.000 0.730 181 A CB -1.519 17.486 19.000 0.008 0.000 1.161 181 A HN 0.962 nan 8.150 nan 0.000 0.356 182 D N -1.146 119.260 120.400 0.010 0.000 2.702 182 D HA -0.184 4.456 4.640 0.000 0.000 0.233 182 D C 1.415 177.723 176.300 0.014 0.000 1.164 182 D CA 2.703 56.711 54.000 0.013 0.000 0.638 182 D CB -1.615 39.194 40.800 0.016 0.000 1.041 182 D HN 2.464 nan 8.370 nan 0.000 0.422 183 G N -0.589 108.219 108.800 0.013 0.000 2.179 183 G HA2 -0.401 3.559 3.960 0.000 0.000 0.257 183 G HA3 -0.401 3.559 3.960 0.000 0.000 0.257 183 G C 1.217 176.126 174.900 0.014 0.000 1.010 183 G CA 1.371 46.480 45.100 0.014 0.000 0.736 183 G HN 0.874 nan 8.290 nan 0.000 0.513 184 S N -1.454 114.254 115.700 0.013 0.000 2.423 184 S HA 0.268 4.738 4.470 0.000 0.000 0.231 184 S C 1.020 175.627 174.600 0.012 0.000 1.014 184 S CA 0.859 59.066 58.200 0.012 0.000 0.965 184 S CB 0.479 63.686 63.200 0.012 0.000 0.785 184 S HN 0.769 nan 8.310 nan 0.000 0.495 185 L N 1.897 123.128 121.223 0.013 0.000 2.349 185 L HA 0.570 4.910 4.340 0.000 0.000 0.278 185 L C -0.853 176.027 176.870 0.015 0.000 0.996 185 L CA -0.381 54.468 54.840 0.014 0.000 0.825 185 L CB 2.002 44.069 42.059 0.014 0.000 1.243 185 L HN 0.276 nan 8.230 nan 0.000 0.412 186 S N 4.534 120.243 115.700 0.016 0.000 2.472 186 S HA 0.736 5.207 4.470 0.000 0.000 0.303 186 S C -0.748 173.863 174.600 0.018 0.000 1.099 186 S CA -0.539 57.671 58.200 0.017 0.000 1.077 186 S CB 1.461 64.671 63.200 0.016 0.000 1.031 186 S HN 0.488 nan 8.310 nan 0.000 0.487 187 V N 2.578 122.504 119.914 0.021 0.000 2.823 187 V HA 0.701 4.822 4.120 0.000 0.000 0.312 187 V C -0.650 175.457 176.094 0.022 0.000 1.072 187 V CA -1.049 61.265 62.300 0.022 0.000 0.937 187 V CB 1.708 33.547 31.823 0.026 0.000 1.013 187 V HN 0.940 nan 8.190 nan 0.000 0.430 188 K N 3.109 123.522 120.400 0.021 0.000 2.213 188 K HA 0.617 4.937 4.320 0.000 0.000 0.270 188 K C -0.908 175.705 176.600 0.022 0.000 1.002 188 K CA -0.562 55.737 56.287 0.020 0.000 0.868 188 K CB 1.920 34.430 32.500 0.017 0.000 1.093 188 K HN 0.733 nan 8.250 nan 0.000 0.454 189 V N 4.826 124.752 119.914 0.021 0.000 2.655 189 V HA -0.012 4.108 4.120 0.000 0.000 0.300 189 V C 1.014 177.119 176.094 0.018 0.000 1.044 189 V CA -0.013 62.299 62.300 0.020 0.000 1.095 189 V CB 1.303 33.133 31.823 0.013 0.000 0.952 189 V HN 0.748 nan 8.190 nan 0.000 0.485 190 V N 3.102 123.031 119.914 0.024 0.000 3.219 190 V HA 0.255 4.375 4.120 0.000 0.000 0.240 190 V C 0.502 176.611 176.094 0.024 0.000 1.222 190 V CA 0.540 62.855 62.300 0.025 0.000 1.181 190 V CB 0.685 32.527 31.823 0.031 0.000 0.941 190 V HN 0.943 nan 8.190 nan 0.000 0.471 191 E N 0.633 120.850 120.200 0.029 0.000 2.321 191 E HA 0.513 4.863 4.350 0.000 0.000 0.278 191 E C -1.612 174.959 176.600 -0.049 0.000 0.902 191 E CA -0.445 55.968 56.400 0.021 0.000 0.758 191 E CB 2.738 32.490 29.700 0.087 0.000 1.213 191 E HN 0.085 nan 8.360 nan 0.000 0.426 192 V N 1.152 120.991 119.914 -0.125 0.000 2.495 192 V HA 0.950 5.070 4.120 0.000 0.000 0.298 192 V C 0.103 175.937 176.094 -0.433 0.000 1.031 192 V CA 0.015 62.151 62.300 -0.273 0.000 0.871 192 V CB 1.111 32.833 31.823 -0.169 0.000 0.988 192 V HN 0.668 nan 8.190 nan 0.000 0.432 193 G N 2.664 110.915 108.800 -0.916 0.000 2.887 193 G HA2 0.511 4.471 3.960 0.000 0.000 0.277 193 G HA3 0.511 4.471 3.960 0.000 0.000 0.277 193 G C 0.817 175.467 174.900 -0.418 0.000 1.346 193 G CA -0.008 44.600 45.100 -0.820 0.000 1.058 193 G HN 1.313 nan 8.290 nan 0.000 0.535 194 S N -0.752 114.844 115.700 -0.173 0.000 2.387 194 S HA -0.091 4.379 4.470 0.000 0.000 0.226 194 S C 1.067 175.628 174.600 -0.065 0.000 1.026 194 S CA 1.826 59.978 58.200 -0.081 0.000 0.972 194 S CB -0.033 63.161 63.200 -0.010 0.000 0.814 194 S HN 0.622 nan 8.310 nan 0.000 0.477 195 D N -0.524 119.883 120.400 0.012 0.000 2.599 195 D HA 0.233 4.873 4.640 0.000 0.000 0.249 195 D C -0.118 176.290 176.300 0.180 0.000 1.313 195 D CA -0.754 53.291 54.000 0.076 0.000 0.815 195 D CB -0.555 40.307 40.800 0.104 0.000 1.077 195 D HN 0.656 nan 8.370 nan 0.000 0.492 196 Y N -2.529 117.766 120.300 -0.007 0.000 2.702 196 Y HA 0.679 5.229 4.550 0.000 0.000 0.336 196 Y C -2.164 173.737 175.900 0.001 0.000 1.203 196 Y CA -1.470 56.630 58.100 0.002 0.000 1.072 196 Y CB 0.877 39.340 38.460 0.005 0.000 1.327 196 Y HN -0.193 nan 8.280 nan 0.000 0.456 197 V N 3.416 123.370 119.914 0.068 0.000 2.789 197 V HA 0.507 4.627 4.120 0.000 0.000 0.311 197 V C -0.803 175.405 176.094 0.190 0.000 1.073 197 V CA -0.820 61.483 62.300 0.004 0.000 0.921 197 V CB 2.039 33.857 31.823 -0.009 0.000 1.009 197 V HN 0.642 nan 8.190 nan 0.000 0.426 198 I N 3.764 124.437 120.570 0.171 0.000 2.359 198 I HA 0.590 4.760 4.170 0.000 0.000 0.294 198 I C 0.465 176.631 176.117 0.081 0.000 0.987 198 I CA 0.047 61.437 61.300 0.150 0.000 1.225 198 I CB 1.572 39.667 38.000 0.158 0.000 1.366 198 I HN 0.878 nan 8.210 nan 0.000 0.466 199 T N 3.357 117.950 114.554 0.065 0.000 2.907 199 T HA 0.654 5.004 4.350 0.000 0.000 0.290 199 T C -0.598 174.124 174.700 0.036 0.000 1.066 199 T CA -0.875 61.252 62.100 0.045 0.000 1.012 199 T CB 2.527 71.420 68.868 0.042 0.000 1.184 199 T HN 0.533 nan 8.240 nan 0.000 0.522 200 Q N 0.308 120.125 119.800 0.029 0.000 2.304 200 Q HA 0.605 4.945 4.340 0.000 0.000 0.270 200 Q C -0.734 175.278 176.000 0.020 0.000 1.035 200 Q CA -1.078 54.739 55.803 0.023 0.000 0.781 200 Q CB 2.361 31.112 28.738 0.020 0.000 1.261 200 Q HN 1.032 nan 8.270 nan 0.000 0.444 201 A N 2.294 125.125 122.820 0.019 0.000 2.520 201 A HA 0.021 4.341 4.320 0.000 0.000 0.245 201 A C 0.693 178.286 177.584 0.015 0.000 1.072 201 A CA 0.130 52.177 52.037 0.017 0.000 0.761 201 A CB 0.360 19.369 19.000 0.015 0.000 1.004 201 A HN 0.711 nan 8.150 nan 0.000 0.499 202 Q N 0.897 120.705 119.800 0.014 0.000 2.402 202 Q HA 0.049 4.389 4.340 0.000 0.000 0.206 202 Q C 0.153 176.159 176.000 0.011 0.000 0.919 202 Q CA 0.625 56.435 55.803 0.013 0.000 0.923 202 Q CB 0.111 28.857 28.738 0.013 0.000 1.048 202 Q HN 0.968 nan 8.270 nan 0.000 0.515 203 N N -0.889 117.818 118.700 0.012 0.000 2.902 203 N HA 0.201 4.941 4.740 0.000 0.000 0.268 203 N C -1.075 174.441 175.510 0.010 0.000 1.450 203 N CA -0.452 52.604 53.050 0.010 0.000 0.819 203 N CB 0.999 39.493 38.487 0.010 0.000 1.540 203 N HN -0.359 nan 8.380 nan 0.000 0.545 204 T N 0.271 114.830 114.554 0.009 0.000 2.767 204 T HA 0.745 5.095 4.350 0.000 0.000 0.288 204 T C -0.501 174.205 174.700 0.009 0.000 0.963 204 T CA -0.226 61.880 62.100 0.009 0.000 1.019 204 T CB 0.552 69.424 68.868 0.008 0.000 0.923 204 T HN 0.771 nan 8.240 nan 0.000 0.468 205 A N 2.842 125.668 122.820 0.010 0.000 2.606 205 A HA 0.766 5.086 4.320 0.000 0.000 0.293 205 A C -0.384 177.206 177.584 0.010 0.000 1.082 205 A CA -0.894 51.149 52.037 0.010 0.000 0.685 205 A CB 1.526 20.533 19.000 0.011 0.000 1.284 205 A HN 0.599 nan 8.150 nan 0.000 0.408 206 T N 1.909 116.469 114.554 0.010 0.000 2.771 206 T HA 0.628 4.978 4.350 0.000 0.000 0.281 206 T C -0.107 174.600 174.700 0.012 0.000 0.982 206 T CA -0.021 62.086 62.100 0.011 0.000 0.978 206 T CB 0.309 69.184 68.868 0.011 0.000 0.930 206 T HN 0.841 nan 8.240 nan 0.000 0.447 207 I N -0.298 120.279 120.570 0.012 0.000 2.689 207 I HA 0.941 5.111 4.170 0.000 0.000 0.299 207 I C 0.343 176.468 176.117 0.013 0.000 1.059 207 I CA -1.113 60.194 61.300 0.012 0.000 1.055 207 I CB 1.952 39.958 38.000 0.010 0.000 1.243 207 I HN 0.653 nan 8.210 nan 0.000 0.425 208 G N 3.204 112.013 108.800 0.014 0.000 2.583 208 G HA2 0.473 4.433 3.960 0.000 0.000 0.280 208 G HA3 0.473 4.433 3.960 0.000 0.000 0.280 208 G C -0.760 174.145 174.900 0.008 0.000 1.376 208 G CA -0.726 44.386 45.100 0.020 0.000 1.043 208 G HN 0.768 nan 8.290 nan 0.000 0.538 209 E N -0.014 120.196 120.200 0.017 0.000 2.349 209 E HA 0.306 4.656 4.350 0.000 0.000 0.265 209 E C -0.171 176.380 176.600 -0.081 0.000 1.064 209 E CA -0.418 55.963 56.400 -0.031 0.000 0.886 209 E CB 0.806 30.532 29.700 0.043 0.000 1.036 209 E HN 0.397 nan 8.360 nan 0.000 0.413 210 R N 1.044 121.436 120.500 -0.179 0.000 3.422 210 R HA -0.144 4.196 4.340 0.000 0.000 0.267 210 R C -0.654 175.611 176.300 -0.058 0.000 1.074 210 R CA 0.548 56.549 56.100 -0.164 0.000 0.718 210 R CB -1.310 28.858 30.300 -0.220 0.000 1.157 210 R HN 0.343 nan 8.270 nan 0.000 0.440 211 K N 1.675 122.053 120.400 -0.035 0.000 2.118 211 K HA 0.158 4.478 4.320 0.000 0.000 0.267 211 K C 0.709 177.302 176.600 -0.012 0.000 0.991 211 K CA -0.737 55.541 56.287 -0.013 0.000 0.916 211 K CB 0.769 33.266 32.500 -0.005 0.000 1.041 211 K HN 0.236 nan 8.250 nan 0.000 0.455 212 N N 1.005 119.697 118.700 -0.013 0.000 2.340 212 N HA 0.084 4.824 4.740 0.000 0.000 0.236 212 N C -0.437 175.060 175.510 -0.021 0.000 1.296 212 N CA 0.319 53.353 53.050 -0.027 0.000 0.896 212 N CB 0.441 38.909 38.487 -0.031 0.000 1.127 212 N HN 0.396 nan 8.380 nan 0.000 0.442 213 M N -0.083 119.494 119.600 -0.038 0.000 2.433 213 M HA 0.337 4.817 4.480 0.000 0.000 0.290 213 M C -1.430 174.844 176.300 -0.043 0.000 1.173 213 M CA -0.621 54.664 55.300 -0.025 0.000 0.905 213 M CB 2.249 34.843 32.600 -0.010 0.000 1.692 213 M HN 0.579 nan 8.290 nan 0.000 0.462 214 N N 1.508 120.199 118.700 -0.016 0.000 2.272 214 N HA 0.693 5.433 4.740 0.000 0.000 0.305 214 N C -1.721 173.796 175.510 0.012 0.000 1.103 214 N CA -0.698 52.349 53.050 -0.005 0.000 0.791 214 N CB 1.817 40.315 38.487 0.018 0.000 1.356 214 N HN 0.344 nan 8.380 nan 0.000 0.486 215 L N 2.671 123.908 121.223 0.023 0.000 2.408 215 L HA 0.461 4.801 4.340 0.000 0.000 0.257 215 L C -2.358 174.539 176.870 0.044 0.000 1.053 215 L CA -2.238 52.623 54.840 0.036 0.000 0.922 215 L CB 0.395 42.476 42.059 0.038 0.000 1.261 215 L HN 0.400 nan 8.230 nan 0.000 0.458 216 P HA 0.024 nan 4.420 nan 0.000 0.262 216 P C 0.590 177.904 177.300 0.022 0.000 1.182 216 P CA 0.423 63.539 63.100 0.027 0.000 0.761 216 P CB 0.365 32.077 31.700 0.020 0.000 0.795 217 N N 1.088 119.797 118.700 0.014 0.000 2.714 217 N HA -0.153 4.587 4.740 0.000 0.000 0.250 217 N C -1.241 174.279 175.510 0.017 0.000 1.117 217 N CA 0.788 53.842 53.050 0.007 0.000 0.719 217 N CB -1.203 37.285 38.487 0.003 0.000 1.081 217 N HN 0.120 nan 8.380 nan 0.000 0.557 218 V N 0.465 120.397 119.914 0.030 0.000 2.588 218 V HA 0.279 4.399 4.120 0.000 0.000 0.304 218 V C 0.513 176.638 176.094 0.052 0.000 1.042 218 V CA -1.058 61.269 62.300 0.044 0.000 0.877 218 V CB 1.857 33.718 31.823 0.062 0.000 0.996 218 V HN 0.175 nan 8.190 nan 0.000 0.425 219 K N 3.349 123.778 120.400 0.048 0.000 2.379 219 K HA 0.366 4.686 4.320 0.000 0.000 0.284 219 K C -0.653 175.999 176.600 0.086 0.000 1.044 219 K CA -0.272 56.047 56.287 0.054 0.000 0.974 219 K CB 0.863 33.385 32.500 0.037 0.000 0.962 219 K HN 0.519 nan 8.250 nan 0.000 0.474 220 V N 5.502 125.474 119.914 0.097 0.000 2.408 220 V HA 0.041 4.161 4.120 0.000 0.000 0.267 220 V C 0.211 176.337 176.094 0.053 0.000 1.047 220 V CA -0.453 61.834 62.300 -0.021 0.000 0.937 220 V CB 1.186 32.953 31.823 -0.094 0.000 0.999 220 V HN 0.731 nan 8.190 nan 0.000 0.472 221 Q N 5.701 125.589 119.800 0.147 0.000 3.150 221 Q HA 0.481 4.821 4.340 0.000 0.000 0.297 221 Q C -0.814 175.291 176.000 0.175 0.000 1.382 221 Q CA 0.261 56.169 55.803 0.175 0.000 1.059 221 Q CB 0.413 29.272 28.738 0.202 0.000 1.559 221 Q HN 0.644 nan 8.270 nan 0.000 0.548 222 L N 1.215 122.480 121.223 0.070 0.000 2.434 222 L HA 0.505 4.845 4.340 0.000 0.000 0.260 222 L C -2.323 174.559 176.870 0.020 0.000 0.983 222 L CA -2.243 52.617 54.840 0.033 0.000 0.820 222 L CB 2.400 44.428 42.059 -0.050 0.000 1.361 222 L HN 0.116 nan 8.230 nan 0.000 0.410 223 P HA 0.064 nan 4.420 nan 0.000 0.267 223 P C 0.703 178.018 177.300 0.026 0.000 1.205 223 P CA -0.317 62.780 63.100 -0.005 0.000 0.765 223 P CB 0.979 32.669 31.700 -0.017 0.000 0.828 224 V N 3.661 123.604 119.914 0.047 0.000 2.427 224 V HA -0.106 4.014 4.120 0.000 0.000 0.248 224 V C 1.184 177.332 176.094 0.091 0.000 1.051 224 V CA 1.477 63.835 62.300 0.096 0.000 1.048 224 V CB -0.372 31.515 31.823 0.106 0.000 0.666 224 V HN 0.479 nan 8.190 nan 0.000 0.456 225 I N 1.131 121.760 120.570 0.099 0.000 2.460 225 I HA 0.427 4.597 4.170 0.000 0.000 0.277 225 I C 0.745 176.941 176.117 0.131 0.000 1.057 225 I CA -0.020 61.374 61.300 0.157 0.000 1.179 225 I CB 0.119 38.316 38.000 0.328 0.000 1.329 225 I HN 0.136 nan 8.210 nan 0.000 0.478 226 G N 4.185 113.038 108.800 0.089 0.000 2.588 226 G HA2 0.200 4.160 3.960 0.000 0.000 0.278 226 G HA3 0.200 4.160 3.960 0.000 0.000 0.278 226 G C 0.823 175.784 174.900 0.102 0.000 1.307 226 G CA -0.157 44.987 45.100 0.073 0.000 1.016 226 G HN 0.513 nan 8.290 nan 0.000 0.503 227 E N -0.342 119.909 120.200 0.084 0.000 2.118 227 E HA -0.166 4.184 4.350 0.000 0.000 0.195 227 E C 2.302 178.975 176.600 0.122 0.000 0.992 227 E CA 1.341 57.797 56.400 0.093 0.000 0.804 227 E CB -0.097 29.637 29.700 0.056 0.000 0.741 227 E HN 0.573 nan 8.360 nan 0.000 0.458 228 K N 1.488 121.955 120.400 0.112 0.000 2.002 228 K HA -0.155 4.165 4.320 0.000 0.000 0.209 228 K C 1.537 178.240 176.600 0.172 0.000 1.048 228 K CA 1.987 58.366 56.287 0.154 0.000 0.930 228 K CB -0.191 32.377 32.500 0.114 0.000 0.714 228 K HN -0.062 nan 8.250 nan 0.000 0.438 229 D N 0.543 121.015 120.400 0.119 0.000 2.144 229 D HA -0.172 4.468 4.640 0.000 0.000 0.199 229 D C 1.776 178.122 176.300 0.077 0.000 0.984 229 D CA 1.219 55.269 54.000 0.083 0.000 0.834 229 D CB -0.111 40.733 40.800 0.074 0.000 0.955 229 D HN 0.419 nan 8.370 nan 0.000 0.465 230 K N 0.159 120.630 120.400 0.118 0.000 2.026 230 K HA -0.220 4.100 4.320 0.000 0.000 0.208 230 K C 2.259 178.938 176.600 0.133 0.000 1.048 230 K CA 1.183 57.532 56.287 0.104 0.000 0.929 230 K CB -0.107 32.472 32.500 0.131 0.000 0.713 230 K HN 0.044 nan 8.250 nan 0.000 0.439 231 H N 1.250 120.369 119.070 0.082 0.000 2.319 231 H HA -0.139 4.417 4.556 0.000 0.000 0.297 231 H C 1.401 176.860 175.328 0.219 0.000 1.097 231 H CA 2.363 58.487 56.048 0.126 0.000 1.285 231 H CB -0.242 29.579 29.762 0.098 0.000 1.368 231 H HN 0.345 nan 8.280 nan 0.000 0.495 232 D N -0.126 120.312 120.400 0.064 0.000 2.117 232 D HA -0.116 4.524 4.640 0.000 0.000 0.197 232 D C 2.515 178.694 176.300 -0.201 0.000 0.987 232 D CA 1.356 55.305 54.000 -0.085 0.000 0.829 232 D CB -0.236 40.433 40.800 -0.219 0.000 0.961 232 D HN 0.467 nan 8.370 nan 0.000 0.460 233 I N 0.457 120.951 120.570 -0.127 0.000 2.202 233 I HA -0.217 3.953 4.170 0.000 0.000 0.242 233 I C 2.388 178.461 176.117 -0.073 0.000 1.091 233 I CA 0.800 62.027 61.300 -0.121 0.000 1.368 233 I CB -0.081 37.862 38.000 -0.096 0.000 1.058 233 I HN -0.045 nan 8.210 nan 0.000 0.410 234 L N -0.082 121.127 121.223 -0.023 0.000 2.095 234 L HA -0.103 4.237 4.340 0.000 0.000 0.204 234 L C 1.556 178.440 176.870 0.024 0.000 1.080 234 L CA 1.626 56.469 54.840 0.004 0.000 0.759 234 L CB -0.529 41.554 42.059 0.039 0.000 0.914 234 L HN 0.287 nan 8.230 nan 0.000 0.439 235 N N -1.780 116.952 118.700 0.054 0.000 2.254 235 N HA 0.041 4.781 4.740 0.000 0.000 0.190 235 N C 1.090 176.637 175.510 0.062 0.000 1.107 235 N CA 0.150 53.261 53.050 0.102 0.000 0.869 235 N CB 0.547 39.160 38.487 0.210 0.000 0.983 235 N HN 0.146 nan 8.380 nan 0.000 0.487 236 F N 0.136 119.943 119.950 -0.238 0.000 2.463 236 F HA 0.362 4.889 4.527 0.000 0.000 0.271 236 F C 2.215 177.884 175.800 -0.218 0.000 0.888 236 F CA 0.182 57.979 58.000 -0.338 0.000 1.149 236 F CB -0.536 38.051 39.000 -0.689 0.000 1.071 236 F HN -0.098 nan 8.300 nan 0.000 0.802 237 G N 2.200 111.005 108.800 0.009 0.000 2.631 237 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 237 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 237 G C 1.639 176.497 174.900 -0.070 0.000 1.214 237 G CA 1.979 47.054 45.100 -0.042 0.000 0.785 237 G HN 0.432 nan 8.290 nan 0.000 0.596 238 I N 1.943 122.474 120.570 -0.064 0.000 2.072 238 I HA -0.107 4.063 4.170 0.000 0.000 0.235 238 I C 0.176 176.280 176.117 -0.022 0.000 1.058 238 I CA 1.459 62.751 61.300 -0.014 0.000 1.320 238 I CB -1.159 36.840 38.000 -0.001 0.000 1.047 238 I HN 0.219 nan 8.210 nan 0.000 0.397 239 P HA -0.114 nan 4.420 nan 0.000 0.223 239 P C 1.507 178.701 177.300 -0.177 0.000 1.151 239 P CA 1.391 64.430 63.100 -0.101 0.000 0.787 239 P CB -0.035 31.611 31.700 -0.090 0.000 0.788 240 M N -1.476 117.937 119.600 -0.310 0.000 2.561 240 M HA 0.213 4.693 4.480 0.000 0.000 0.238 240 M C 1.272 177.456 176.300 -0.194 0.000 1.131 240 M CA 0.766 55.824 55.300 -0.404 0.000 1.046 240 M CB -1.302 30.694 32.600 -1.007 0.000 1.532 240 M HN 0.135 nan 8.290 nan 0.000 0.497 241 G N 0.816 109.559 108.800 -0.095 0.000 2.147 241 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 241 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 241 G C 0.255 175.167 174.900 0.020 0.000 1.005 241 G CA 0.018 45.108 45.100 -0.016 0.000 0.713 241 G HN 0.495 nan 8.290 nan 0.000 0.515 242 C N -0.204 119.109 119.300 0.021 0.000 2.665 242 C HA 0.287 4.747 4.460 0.000 0.000 0.416 242 C C 1.805 176.807 174.990 0.021 0.000 1.305 242 C CA 0.746 59.798 59.018 0.057 0.000 1.903 242 C CB 0.129 27.912 27.740 0.071 0.000 2.704 242 C HN 0.662 nan 8.230 nan 0.000 0.629 243 N N -0.361 118.350 118.700 0.018 0.000 2.414 243 N HA 0.243 4.983 4.740 0.000 0.000 0.177 243 N C -0.587 174.685 175.510 -0.397 0.000 1.062 243 N CA 0.465 53.428 53.050 -0.146 0.000 0.890 243 N CB 0.202 38.591 38.487 -0.163 0.000 1.070 243 N HN 0.594 nan 8.380 nan 0.000 0.454 244 F N 0.417 120.400 119.950 0.055 0.000 2.588 244 F HA 0.511 5.038 4.527 0.000 0.000 0.314 244 F C -0.624 175.161 175.800 -0.024 0.000 1.069 244 F CA -1.136 56.869 58.000 0.009 0.000 0.931 244 F CB 1.709 40.724 39.000 0.024 0.000 1.260 244 F HN -0.264 nan 8.300 nan 0.000 0.465 245 I N 2.335 122.993 120.570 0.147 0.000 2.355 245 I HA 0.432 4.602 4.170 0.000 0.000 0.288 245 I C -0.178 175.982 176.117 0.072 0.000 0.999 245 I CA -0.915 60.418 61.300 0.055 0.000 1.163 245 I CB 1.041 39.031 38.000 -0.016 0.000 1.316 245 I HN 0.646 nan 8.210 nan 0.000 0.454 246 A N 5.740 128.591 122.820 0.052 0.000 2.279 246 A HA 0.700 5.020 4.320 0.000 0.000 0.306 246 A C 0.441 178.043 177.584 0.029 0.000 1.300 246 A CA -0.487 51.572 52.037 0.036 0.000 0.925 246 A CB 0.251 19.268 19.000 0.029 0.000 1.152 246 A HN 0.818 nan 8.150 nan 0.000 0.544 247 A N 3.512 126.352 122.820 0.032 0.000 2.343 247 A HA 0.545 4.865 4.320 0.000 0.000 0.305 247 A C 0.687 178.308 177.584 0.062 0.000 1.308 247 A CA -0.253 51.809 52.037 0.042 0.000 0.949 247 A CB -0.235 18.790 19.000 0.042 0.000 1.148 247 A HN 0.789 nan 8.150 nan 0.000 0.545 248 S N 1.403 117.149 115.700 0.077 0.000 2.552 248 S HA 0.251 4.721 4.470 0.000 0.000 0.289 248 S C 0.263 174.985 174.600 0.204 0.000 1.304 248 S CA 0.292 58.563 58.200 0.119 0.000 1.063 248 S CB -0.366 62.894 63.200 0.100 0.000 0.848 248 S HN 1.179 nan 8.310 nan 0.000 0.499 249 F N 1.735 121.685 119.950 -0.000 0.000 3.074 249 F HA -0.195 4.332 4.527 0.000 0.000 0.287 249 F C -0.050 175.748 175.800 -0.004 0.000 0.932 249 F CA -0.083 57.912 58.000 -0.009 0.000 0.995 249 F CB -1.543 37.442 39.000 -0.026 0.000 0.966 249 F HN 0.323 nan 8.300 nan 0.000 0.721 250 V N 2.236 122.128 119.914 -0.038 0.000 2.529 250 V HA -0.045 4.075 4.120 0.000 0.000 0.292 250 V C 1.184 177.170 176.094 -0.181 0.000 1.028 250 V CA 0.895 63.158 62.300 -0.062 0.000 1.074 250 V CB 1.426 33.237 31.823 -0.019 0.000 0.958 250 V HN 0.509 nan 8.190 nan 0.000 0.481 251 Q N 2.408 122.116 119.800 -0.153 0.000 2.316 251 Q HA 0.228 4.568 4.340 0.000 0.000 0.235 251 Q C 0.586 176.533 176.000 -0.087 0.000 0.863 251 Q CA 0.171 55.870 55.803 -0.173 0.000 0.939 251 Q CB 1.290 29.926 28.738 -0.169 0.000 1.108 251 Q HN 0.703 nan 8.270 nan 0.000 0.522 252 S N -1.368 114.298 115.700 -0.056 0.000 2.556 252 S HA 0.568 5.038 4.470 0.000 0.000 0.271 252 S C 0.011 174.592 174.600 -0.031 0.000 1.135 252 S CA -0.085 58.093 58.200 -0.038 0.000 0.858 252 S CB 1.617 64.800 63.200 -0.028 0.000 1.114 252 S HN 0.145 nan 8.310 nan 0.000 0.468 253 A N 2.341 125.141 122.820 -0.035 0.000 1.972 253 A HA -0.029 4.291 4.320 0.000 0.000 0.219 253 A C 1.484 179.062 177.584 -0.010 0.000 1.169 253 A CA 1.967 53.983 52.037 -0.035 0.000 0.635 253 A CB -0.847 18.126 19.000 -0.045 0.000 0.810 253 A HN 0.867 nan 8.150 nan 0.000 0.446 254 D N 0.647 121.046 120.400 -0.003 0.000 2.182 254 D HA -0.145 4.495 4.640 0.000 0.000 0.201 254 D C 1.168 177.501 176.300 0.055 0.000 0.986 254 D CA 1.373 55.385 54.000 0.019 0.000 0.847 254 D CB -0.350 40.451 40.800 0.002 0.000 0.942 254 D HN 0.445 nan 8.370 nan 0.000 0.467 255 D N 0.095 120.520 120.400 0.041 0.000 2.117 255 D HA -0.092 4.548 4.640 0.000 0.000 0.197 255 D C 2.332 178.695 176.300 0.104 0.000 0.987 255 D CA 0.463 54.513 54.000 0.084 0.000 0.829 255 D CB -0.154 40.675 40.800 0.048 0.000 0.961 255 D HN 0.135 nan 8.370 nan 0.000 0.460 256 V N 1.194 121.134 119.914 0.045 0.000 2.307 256 V HA -0.204 3.916 4.120 0.000 0.000 0.245 256 V C 2.501 178.609 176.094 0.022 0.000 1.045 256 V CA 1.445 63.756 62.300 0.019 0.000 1.024 256 V CB -0.469 31.344 31.823 -0.017 0.000 0.651 256 V HN 0.091 nan 8.190 nan 0.000 0.449 257 R N -1.109 119.411 120.500 0.034 0.000 2.091 257 R HA -0.203 4.137 4.340 0.000 0.000 0.238 257 R C 2.350 178.691 176.300 0.067 0.000 1.136 257 R CA 2.079 58.200 56.100 0.035 0.000 0.959 257 R CB -0.559 29.762 30.300 0.035 0.000 0.856 257 R HN 0.618 nan 8.270 nan 0.000 0.437 258 Y N 1.536 121.827 120.300 -0.016 0.000 2.128 258 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 258 Y C 1.984 177.877 175.900 -0.012 0.000 1.154 258 Y CA 1.464 59.558 58.100 -0.010 0.000 1.149 258 Y CB -0.328 38.129 38.460 -0.004 0.000 0.976 258 Y HN -0.074 nan 8.280 nan 0.000 0.505 259 I N -0.056 120.470 120.570 -0.073 0.000 2.208 259 I HA -0.346 3.824 4.170 0.000 0.000 0.245 259 I C 2.715 178.737 176.117 -0.158 0.000 1.097 259 I CA 1.881 63.090 61.300 -0.151 0.000 1.363 259 I CB -0.448 37.527 38.000 -0.041 0.000 1.051 259 I HN 0.137 nan 8.210 nan 0.000 0.413 260 R N 0.975 121.415 120.500 -0.100 0.000 2.092 260 R HA -0.118 4.222 4.340 0.000 0.000 0.231 260 R C 2.361 178.598 176.300 -0.104 0.000 1.119 260 R CA 1.497 57.542 56.100 -0.092 0.000 0.970 260 R CB -0.534 29.730 30.300 -0.061 0.000 0.864 260 R HN 0.415 nan 8.270 nan 0.000 0.440 261 G N 1.203 109.937 108.800 -0.111 0.000 2.446 261 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 261 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 261 G C 1.201 176.001 174.900 -0.165 0.000 1.168 261 G CA 0.587 45.619 45.100 -0.114 0.000 0.771 261 G HN 0.177 nan 8.290 nan 0.000 0.551 262 L N 0.502 121.558 121.223 -0.279 0.000 1.971 262 L HA -0.039 4.301 4.340 0.000 0.000 0.215 262 L C 3.020 179.797 176.870 -0.155 0.000 1.072 262 L CA 1.322 56.004 54.840 -0.264 0.000 0.758 262 L CB -0.984 40.860 42.059 -0.358 0.000 0.889 262 L HN 0.216 nan 8.230 nan 0.000 0.433 263 L N -1.358 119.778 121.223 -0.145 0.000 2.012 263 L HA -0.075 4.265 4.340 0.000 0.000 0.210 263 L C 1.678 178.496 176.870 -0.086 0.000 1.073 263 L CA 0.915 55.685 54.840 -0.118 0.000 0.748 263 L CB -1.265 40.712 42.059 -0.137 0.000 0.891 263 L HN 0.538 nan 8.230 nan 0.000 0.431 264 G N -0.369 108.383 108.800 -0.079 0.000 2.598 264 G HA2 -0.303 3.657 3.960 0.000 0.000 0.269 264 G HA3 -0.303 3.657 3.960 0.000 0.000 0.269 264 G C -1.705 173.175 174.900 -0.033 0.000 1.289 264 G CA 0.108 45.177 45.100 -0.051 0.000 0.926 264 G HN 0.178 nan 8.290 nan 0.000 0.567 265 P HA -0.001 nan 4.420 nan 0.000 0.215 265 P C 2.387 179.700 177.300 0.023 0.000 1.153 265 P CA 3.391 66.492 63.100 0.001 0.000 0.853 265 P CB -0.295 31.406 31.700 0.001 0.000 0.788 266 R N 0.084 120.595 120.500 0.020 0.000 2.115 266 R HA 0.080 4.420 4.340 0.000 0.000 0.230 266 R C 2.121 178.484 176.300 0.105 0.000 1.111 266 R CA 1.748 57.879 56.100 0.051 0.000 0.976 266 R CB -2.062 28.255 30.300 0.029 0.000 0.870 266 R HN 0.369 nan 8.270 nan 0.000 0.445 267 G N -0.412 108.386 108.800 -0.003 0.000 3.702 267 G HA2 0.190 4.150 3.960 0.000 0.000 0.288 267 G HA3 0.190 4.150 3.960 0.000 0.000 0.288 267 G C 1.063 175.830 174.900 -0.222 0.000 1.193 267 G CA -0.213 44.784 45.100 -0.171 0.000 0.952 267 G HN 0.489 nan 8.290 nan 0.000 0.544 268 R N 0.448 120.930 120.500 -0.030 0.000 2.105 268 R HA -0.114 4.226 4.340 0.000 0.000 0.239 268 R C 1.992 178.285 176.300 -0.013 0.000 1.135 268 R CA 1.494 57.592 56.100 -0.004 0.000 0.967 268 R CB -0.173 30.168 30.300 0.069 0.000 0.861 268 R HN 0.667 nan 8.270 nan 0.000 0.442 269 H N -0.654 118.410 119.070 -0.009 0.000 2.553 269 H HA 0.158 4.714 4.556 0.000 0.000 0.269 269 H C 0.345 175.720 175.328 0.078 0.000 1.011 269 H CA 0.226 56.297 56.048 0.038 0.000 1.150 269 H CB -0.209 29.541 29.762 -0.021 0.000 1.339 269 H HN 0.115 nan 8.280 nan 0.000 0.604 270 I N 2.390 122.735 120.570 -0.375 0.000 2.404 270 I HA 0.316 4.486 4.170 0.000 0.000 0.293 270 I C 0.023 175.977 176.117 -0.272 0.000 0.992 270 I CA -0.913 60.191 61.300 -0.328 0.000 1.149 270 I CB 1.708 39.471 38.000 -0.395 0.000 1.315 270 I HN -0.078 nan 8.210 nan 0.000 0.446 271 R N 6.134 126.438 120.500 -0.327 0.000 2.604 271 R HA 0.647 4.987 4.340 0.000 0.000 0.287 271 R C -0.804 175.492 176.300 -0.006 0.000 0.970 271 R CA -0.880 55.077 56.100 -0.238 0.000 0.946 271 R CB 2.129 32.184 30.300 -0.407 0.000 1.127 271 R HN 0.552 nan 8.270 nan 0.000 0.473 272 I N 3.685 124.259 120.570 0.007 0.000 2.339 272 I HA 0.304 4.474 4.170 0.000 0.000 0.290 272 I C 0.168 176.318 176.117 0.054 0.000 0.994 272 I CA -0.564 60.753 61.300 0.029 0.000 1.191 272 I CB 1.207 39.197 38.000 -0.016 0.000 1.343 272 I HN 0.217 nan 8.210 nan 0.000 0.458 273 I N 7.876 128.486 120.570 0.068 0.000 2.442 273 I HA 0.338 4.508 4.170 0.000 0.000 0.279 273 I C -2.382 173.747 176.117 0.021 0.000 1.081 273 I CA -2.290 59.029 61.300 0.032 0.000 1.197 273 I CB 0.299 38.299 38.000 0.000 0.000 1.394 273 I HN 0.151 nan 8.210 nan 0.000 0.488 274 P HA 0.088 nan 4.420 nan 0.000 0.266 274 P C -0.433 176.885 177.300 0.030 0.000 1.195 274 P CA 0.067 63.177 63.100 0.016 0.000 0.768 274 P CB 0.621 32.319 31.700 -0.004 0.000 0.838 275 K N 2.744 123.166 120.400 0.036 0.000 2.213 275 K HA 0.427 4.747 4.320 0.000 0.000 0.270 275 K C -0.403 176.214 176.600 0.028 0.000 1.002 275 K CA -0.630 55.681 56.287 0.041 0.000 0.868 275 K CB 0.711 33.243 32.500 0.054 0.000 1.093 275 K HN 0.309 nan 8.250 nan 0.000 0.454 276 I N 3.171 123.761 120.570 0.034 0.000 2.304 276 I HA 0.053 4.223 4.170 0.000 0.000 0.291 276 I C 0.696 176.796 176.117 -0.029 0.000 1.018 276 I CA 0.463 61.765 61.300 0.004 0.000 1.260 276 I CB 0.915 38.956 38.000 0.067 0.000 1.390 276 I HN 0.707 nan 8.210 nan 0.000 0.475 277 E N 4.246 124.395 120.200 -0.085 0.000 2.571 277 E HA 0.145 4.495 4.350 0.000 0.000 0.222 277 E C -0.204 176.364 176.600 -0.053 0.000 0.904 277 E CA -0.083 56.302 56.400 -0.026 0.000 1.157 277 E CB 0.543 30.317 29.700 0.123 0.000 1.158 277 E HN 0.712 nan 8.360 nan 0.000 0.540 278 N N -1.056 117.539 118.700 -0.175 0.000 3.204 278 N HA 0.066 4.806 4.740 0.000 0.000 0.285 278 N C 0.692 176.127 175.510 -0.126 0.000 1.536 278 N CA -0.591 52.380 53.050 -0.132 0.000 0.832 278 N CB 0.981 39.369 38.487 -0.165 0.000 1.645 278 N HN -0.232 nan 8.380 nan 0.000 0.586 279 V N 0.622 120.486 119.914 -0.083 0.000 2.380 279 V HA -0.191 3.929 4.120 0.000 0.000 0.251 279 V C 2.174 178.221 176.094 -0.078 0.000 1.063 279 V CA 1.954 64.213 62.300 -0.067 0.000 1.055 279 V CB -0.666 31.133 31.823 -0.040 0.000 0.657 279 V HN 0.619 nan 8.190 nan 0.000 0.455 280 E N 0.393 120.527 120.200 -0.110 0.000 2.106 280 E HA -0.134 4.216 4.350 0.000 0.000 0.192 280 E C 2.359 178.899 176.600 -0.100 0.000 0.984 280 E CA 1.379 57.717 56.400 -0.103 0.000 0.806 280 E CB -0.621 29.002 29.700 -0.128 0.000 0.750 280 E HN 0.630 nan 8.360 nan 0.000 0.458 281 G N 1.022 109.735 108.800 -0.144 0.000 2.408 281 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 281 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 281 G C 1.740 176.657 174.900 0.028 0.000 1.150 281 G CA 0.376 45.431 45.100 -0.075 0.000 0.776 281 G HN 0.152 nan 8.290 nan 0.000 0.542 282 L N 0.109 121.319 121.223 -0.020 0.000 2.044 282 L HA -0.029 4.311 4.340 0.000 0.000 0.205 282 L C 2.965 179.851 176.870 0.027 0.000 1.075 282 L CA 0.315 55.146 54.840 -0.016 0.000 0.747 282 L CB -0.553 41.459 42.059 -0.080 0.000 0.903 282 L HN 0.055 nan 8.230 nan 0.000 0.435 283 V N 0.105 120.019 119.914 0.000 0.000 2.332 283 V HA -0.260 3.860 4.120 0.000 0.000 0.248 283 V C 1.550 177.663 176.094 0.032 0.000 1.055 283 V CA 1.675 63.979 62.300 0.007 0.000 1.038 283 V CB -0.523 31.293 31.823 -0.012 0.000 0.651 283 V HN 0.508 nan 8.190 nan 0.000 0.450 284 N N -0.919 117.800 118.700 0.032 0.000 2.276 284 N HA 0.088 4.828 4.740 0.000 0.000 0.212 284 N C 1.172 176.704 175.510 0.038 0.000 1.127 284 N CA 0.030 53.091 53.050 0.019 0.000 0.834 284 N CB 0.238 38.716 38.487 -0.014 0.000 1.014 284 N HN 0.503 nan 8.380 nan 0.000 0.491 285 F N 2.172 122.091 119.950 -0.051 0.000 2.102 285 F HA -0.164 4.363 4.527 0.000 0.000 0.298 285 F C 1.631 177.408 175.800 -0.038 0.000 1.105 285 F CA 1.517 59.487 58.000 -0.049 0.000 1.239 285 F CB 0.164 39.133 39.000 -0.051 0.000 0.991 285 F HN -0.068 nan 8.300 nan 0.000 0.474 286 D N 0.354 120.729 120.400 -0.042 0.000 2.104 286 D HA -0.193 4.447 4.640 0.000 0.000 0.194 286 D C 2.243 178.431 176.300 -0.188 0.000 0.994 286 D CA 1.551 55.475 54.000 -0.127 0.000 0.830 286 D CB -0.493 40.307 40.800 0.001 0.000 0.959 286 D HN 0.461 nan 8.370 nan 0.000 0.452 287 E N 0.023 120.149 120.200 -0.123 0.000 2.051 287 E HA -0.130 4.220 4.350 0.000 0.000 0.192 287 E C 2.416 178.926 176.600 -0.149 0.000 0.991 287 E CA 0.465 56.800 56.400 -0.109 0.000 0.799 287 E CB -0.092 29.569 29.700 -0.064 0.000 0.748 287 E HN 0.303 nan 8.360 nan 0.000 0.449 288 I N 0.829 121.286 120.570 -0.188 0.000 2.127 288 I HA -0.296 3.874 4.170 0.000 0.000 0.241 288 I C 2.585 178.532 176.117 -0.282 0.000 1.075 288 I CA 0.707 61.885 61.300 -0.203 0.000 1.334 288 I CB -0.236 37.659 38.000 -0.175 0.000 1.040 288 I HN 0.151 nan 8.210 nan 0.000 0.405 289 L N 1.158 122.079 121.223 -0.504 0.000 2.083 289 L HA -0.154 4.186 4.340 0.000 0.000 0.209 289 L C 2.500 179.225 176.870 -0.242 0.000 1.083 289 L CA 2.023 56.589 54.840 -0.456 0.000 0.752 289 L CB -0.737 40.887 42.059 -0.725 0.000 0.899 289 L HN 0.198 nan 8.230 nan 0.000 0.433 290 A N -0.935 121.764 122.820 -0.201 0.000 1.940 290 A HA -0.167 4.153 4.320 0.000 0.000 0.219 290 A C 2.175 179.702 177.584 -0.094 0.000 1.176 290 A CA 1.778 53.742 52.037 -0.121 0.000 0.631 290 A CB -0.458 18.484 19.000 -0.097 0.000 0.814 290 A HN 0.549 nan 8.150 nan 0.000 0.446 291 E N -0.110 120.030 120.200 -0.099 0.000 2.190 291 E HA 0.188 4.538 4.350 0.000 0.000 0.191 291 E C 1.181 177.739 176.600 -0.070 0.000 0.978 291 E CA 0.660 57.017 56.400 -0.072 0.000 0.839 291 E CB -0.465 29.199 29.700 -0.060 0.000 0.787 291 E HN 0.555 nan 8.360 nan 0.000 0.473 292 A N 1.643 124.410 122.820 -0.089 0.000 2.366 292 A HA 0.038 4.359 4.320 0.000 0.000 0.249 292 A C 0.640 178.191 177.584 -0.055 0.000 1.084 292 A CA -0.064 51.931 52.037 -0.071 0.000 0.794 292 A CB 0.305 19.252 19.000 -0.089 0.000 1.034 292 A HN -0.061 nan 8.150 nan 0.000 0.491 293 D N -0.030 120.352 120.400 -0.031 0.000 2.354 293 D HA 0.289 4.930 4.640 0.000 0.000 0.209 293 D C 0.776 177.082 176.300 0.011 0.000 1.015 293 D CA 1.513 55.504 54.000 -0.014 0.000 0.867 293 D CB 0.538 41.330 40.800 -0.014 0.000 0.933 293 D HN 0.780 nan 8.370 nan 0.000 0.520 294 G N 0.003 108.803 108.800 0.001 0.000 2.349 294 G HA2 0.406 4.366 3.960 0.000 0.000 0.294 294 G HA3 0.406 4.366 3.960 0.000 0.000 0.294 294 G C -1.963 172.935 174.900 -0.003 0.000 1.380 294 G CA -0.622 44.477 45.100 -0.001 0.000 0.811 294 G HN -0.074 nan 8.290 nan 0.000 0.519 295 I N 0.579 121.159 120.570 0.016 0.000 2.619 295 I HA 0.521 4.691 4.170 0.000 0.000 0.292 295 I C -0.359 175.781 176.117 0.037 0.000 1.100 295 I CA -0.703 60.630 61.300 0.056 0.000 1.043 295 I CB 1.915 40.016 38.000 0.167 0.000 1.239 295 I HN 0.670 nan 8.210 nan 0.000 0.420 296 M N 6.595 126.216 119.600 0.036 0.000 2.227 296 M HA 0.561 5.041 4.480 0.000 0.000 0.335 296 M C -1.335 174.987 176.300 0.035 0.000 1.053 296 M CA -0.527 54.786 55.300 0.021 0.000 0.973 296 M CB 1.455 34.060 32.600 0.009 0.000 1.623 296 M HN 0.393 nan 8.290 nan 0.000 0.434 297 I N 4.682 125.265 120.570 0.020 0.000 2.307 297 I HA 0.329 4.500 4.170 0.000 0.000 0.289 297 I C 0.091 176.213 176.117 0.007 0.000 1.021 297 I CA -0.455 60.847 61.300 0.004 0.000 1.224 297 I CB 1.457 39.445 38.000 -0.020 0.000 1.376 297 I HN 0.777 nan 8.210 nan 0.000 0.470 298 A N 6.449 129.276 122.820 0.012 0.000 2.910 298 A HA 0.387 4.707 4.320 0.000 0.000 0.316 298 A C 1.187 178.781 177.584 0.016 0.000 1.493 298 A CA -0.505 51.546 52.037 0.023 0.000 1.150 298 A CB -0.170 18.855 19.000 0.042 0.000 1.159 298 A HN 0.791 nan 8.150 nan 0.000 0.526 299 R N 1.432 121.939 120.500 0.012 0.000 2.081 299 R HA -0.112 4.228 4.340 0.000 0.000 0.235 299 R C 2.331 178.641 176.300 0.017 0.000 1.131 299 R CA 1.979 58.084 56.100 0.009 0.000 0.960 299 R CB -0.354 29.954 30.300 0.013 0.000 0.856 299 R HN 0.668 nan 8.270 nan 0.000 0.436 300 G N 0.944 109.758 108.800 0.024 0.000 2.440 300 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 300 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 300 G C 0.893 175.812 174.900 0.031 0.000 1.154 300 G CA 1.225 46.341 45.100 0.027 0.000 0.767 300 G HN 0.295 nan 8.290 nan 0.000 0.552 301 D N 0.512 120.936 120.400 0.039 0.000 2.097 301 D HA -0.054 4.586 4.640 0.000 0.000 0.197 301 D C 2.668 178.995 176.300 0.046 0.000 0.984 301 D CA 0.538 54.571 54.000 0.054 0.000 0.826 301 D CB -0.093 40.756 40.800 0.082 0.000 0.973 301 D HN 0.280 nan 8.370 nan 0.000 0.460 302 L N 1.121 122.358 121.223 0.024 0.000 2.042 302 L HA -0.125 4.215 4.340 0.000 0.000 0.210 302 L C 2.600 179.474 176.870 0.006 0.000 1.076 302 L CA 1.374 56.215 54.840 0.003 0.000 0.749 302 L CB -0.679 41.366 42.059 -0.023 0.000 0.893 302 L HN 0.083 nan 8.230 nan 0.000 0.432 303 G N -0.874 107.934 108.800 0.013 0.000 2.653 303 G HA2 -0.170 3.790 3.960 0.000 0.000 0.212 303 G HA3 -0.170 3.790 3.960 0.000 0.000 0.212 303 G C 1.364 176.276 174.900 0.020 0.000 1.138 303 G CA 0.290 45.400 45.100 0.017 0.000 0.782 303 G HN 0.223 nan 8.290 nan 0.000 0.535 304 M N -0.218 119.397 119.600 0.025 0.000 2.333 304 M HA 0.259 4.740 4.480 0.000 0.000 0.257 304 M C 1.126 177.444 176.300 0.030 0.000 1.078 304 M CA 0.425 55.742 55.300 0.028 0.000 1.005 304 M CB 0.412 33.032 32.600 0.033 0.000 1.444 304 M HN 0.094 nan 8.290 nan 0.000 0.496 305 E N 0.836 121.051 120.200 0.024 0.000 2.467 305 E HA 0.343 4.693 4.350 0.000 0.000 0.213 305 E C 0.677 177.279 176.600 0.004 0.000 0.823 305 E CA 0.354 56.768 56.400 0.022 0.000 1.233 305 E CB 1.681 31.396 29.700 0.026 0.000 1.233 305 E HN 0.510 nan 8.360 nan 0.000 0.585 306 I N -1.660 118.908 120.570 -0.004 0.000 2.969 306 I HA 0.560 4.730 4.170 0.000 0.000 0.307 306 I C -2.840 173.274 176.117 -0.006 0.000 1.149 306 I CA -2.885 58.406 61.300 -0.014 0.000 1.008 306 I CB 2.251 40.230 38.000 -0.036 0.000 1.232 306 I HN -0.356 nan 8.210 nan 0.000 0.435 307 P HA 0.046 nan 4.420 nan 0.000 0.263 307 P C -2.002 175.306 177.300 0.014 0.000 1.175 307 P CA -0.593 62.511 63.100 0.006 0.000 0.761 307 P CB -0.004 31.699 31.700 0.005 0.000 0.794 308 P HA -0.205 nan 4.420 nan 0.000 0.218 308 P C 1.020 178.371 177.300 0.086 0.000 1.148 308 P CA 1.526 64.653 63.100 0.045 0.000 0.822 308 P CB -0.100 31.624 31.700 0.040 0.000 0.784 309 E N 0.814 121.070 120.200 0.094 0.000 2.516 309 E HA -0.107 4.243 4.350 0.000 0.000 0.199 309 E C 1.149 177.843 176.600 0.157 0.000 1.069 309 E CA 0.686 57.193 56.400 0.178 0.000 0.876 309 E CB -0.275 29.506 29.700 0.135 0.000 0.843 309 E HN 0.302 nan 8.360 nan 0.000 0.530 310 K N 0.183 120.590 120.400 0.011 0.000 2.380 310 K HA 0.150 4.470 4.320 0.000 0.000 0.198 310 K C 1.792 178.261 176.600 -0.218 0.000 1.070 310 K CA 0.166 56.359 56.287 -0.156 0.000 1.040 310 K CB 0.886 33.320 32.500 -0.111 0.000 0.903 310 K HN -0.080 nan 8.250 nan 0.000 0.549 311 V N 1.907 121.774 119.914 -0.079 0.000 2.358 311 V HA -0.255 3.865 4.120 0.000 0.000 0.246 311 V C 2.076 178.124 176.094 -0.078 0.000 1.047 311 V CA 1.860 64.122 62.300 -0.063 0.000 1.035 311 V CB -0.657 31.172 31.823 0.009 0.000 0.658 311 V HN 0.339 nan 8.190 nan 0.000 0.452 312 F N 0.161 120.087 119.950 -0.039 0.000 2.216 312 F HA -0.093 4.434 4.527 0.000 0.000 0.300 312 F C 1.943 177.713 175.800 -0.050 0.000 1.085 312 F CA 1.393 59.368 58.000 -0.041 0.000 1.326 312 F CB -1.013 37.968 39.000 -0.032 0.000 1.027 312 F HN 0.062 nan 8.300 nan 0.000 0.497 313 L N 0.907 121.459 121.223 -1.117 0.000 2.017 313 L HA -0.137 4.203 4.340 0.000 0.000 0.208 313 L C 3.047 179.696 176.870 -0.369 0.000 1.073 313 L CA 1.305 55.683 54.840 -0.770 0.000 0.745 313 L CB -1.183 40.422 42.059 -0.756 0.000 0.894 313 L HN 0.354 nan 8.230 nan 0.000 0.432 314 A N -0.539 122.090 122.820 -0.318 0.000 1.902 314 A HA -0.293 4.027 4.320 0.000 0.000 0.217 314 A C 2.265 179.708 177.584 -0.234 0.000 1.181 314 A CA 1.953 53.837 52.037 -0.254 0.000 0.623 314 A CB -0.648 18.225 19.000 -0.212 0.000 0.818 314 A HN 0.520 nan 8.150 nan 0.000 0.443 315 Q N -0.147 119.555 119.800 -0.164 0.000 2.020 315 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 315 Q C 2.014 177.953 176.000 -0.100 0.000 0.982 315 Q CA 2.035 57.771 55.803 -0.111 0.000 0.838 315 Q CB -0.189 28.528 28.738 -0.036 0.000 0.899 315 Q HN 0.667 nan 8.270 nan 0.000 0.423 316 K N 0.077 120.433 120.400 -0.073 0.000 2.032 316 K HA -0.170 4.150 4.320 0.000 0.000 0.209 316 K C 2.214 178.764 176.600 -0.082 0.000 1.048 316 K CA 1.693 57.953 56.287 -0.045 0.000 0.927 316 K CB -0.244 32.255 32.500 -0.001 0.000 0.712 316 K HN 0.355 nan 8.250 nan 0.000 0.441 317 M N 0.439 119.957 119.600 -0.136 0.000 2.086 317 M HA -0.193 4.287 4.480 0.000 0.000 0.261 317 M C 2.119 178.306 176.300 -0.189 0.000 1.067 317 M CA 1.641 56.851 55.300 -0.150 0.000 1.116 317 M CB 0.011 32.498 32.600 -0.187 0.000 1.348 317 M HN 0.200 nan 8.290 nan 0.000 0.407 318 M N -0.180 119.231 119.600 -0.315 0.000 2.132 318 M HA -0.184 4.296 4.480 0.000 0.000 0.263 318 M C 2.012 178.257 176.300 -0.092 0.000 1.065 318 M CA 1.464 56.496 55.300 -0.448 0.000 1.122 318 M CB -0.424 31.778 32.600 -0.663 0.000 1.365 318 M HN 0.314 nan 8.290 nan 0.000 0.411 319 I N 0.163 120.694 120.570 -0.065 0.000 2.179 319 I HA -0.266 3.905 4.170 0.000 0.000 0.242 319 I C 2.725 178.849 176.117 0.011 0.000 1.088 319 I CA 1.312 62.609 61.300 -0.004 0.000 1.357 319 I CB -0.671 37.322 38.000 -0.011 0.000 1.051 319 I HN 0.249 nan 8.210 nan 0.000 0.409 320 A N 0.847 123.664 122.820 -0.005 0.000 1.902 320 A HA -0.234 4.086 4.320 0.000 0.000 0.217 320 A C 2.325 179.924 177.584 0.025 0.000 1.181 320 A CA 1.730 53.768 52.037 0.003 0.000 0.623 320 A CB -0.477 18.519 19.000 -0.007 0.000 0.818 320 A HN 0.329 nan 8.150 nan 0.000 0.443 321 K N -0.939 119.497 120.400 0.060 0.000 2.097 321 K HA -0.130 4.190 4.320 0.000 0.000 0.206 321 K C 2.070 178.737 176.600 0.112 0.000 1.049 321 K CA 1.394 57.752 56.287 0.119 0.000 0.933 321 K CB -0.419 32.243 32.500 0.270 0.000 0.717 321 K HN 0.580 nan 8.250 nan 0.000 0.442 322 C N 0.878 120.256 119.300 0.130 0.000 2.453 322 C HA -0.057 4.403 4.460 0.000 0.000 0.277 322 C C 2.232 177.237 174.990 0.024 0.000 1.262 322 C CA 0.605 59.673 59.018 0.083 0.000 1.718 322 C CB -1.168 26.633 27.740 0.101 0.000 2.031 322 C HN 0.550 nan 8.230 nan 0.000 0.480 323 N N 0.701 119.409 118.700 0.012 0.000 2.061 323 N HA -0.165 4.575 4.740 0.000 0.000 0.193 323 N C 1.583 177.057 175.510 -0.061 0.000 1.030 323 N CA 1.483 54.517 53.050 -0.026 0.000 0.856 323 N CB -0.177 38.295 38.487 -0.024 0.000 1.023 323 N HN 0.315 nan 8.380 nan 0.000 0.424 324 V N 0.477 120.369 119.914 -0.037 0.000 2.407 324 V HA -0.121 3.999 4.120 0.000 0.000 0.248 324 V C 1.820 177.885 176.094 -0.049 0.000 1.055 324 V CA 1.245 63.517 62.300 -0.046 0.000 1.049 324 V CB -0.057 31.760 31.823 -0.010 0.000 0.662 324 V HN 0.189 nan 8.190 nan 0.000 0.455 325 V N -0.108 119.789 119.914 -0.030 0.000 3.542 325 V HA 0.409 4.529 4.120 0.000 0.000 0.296 325 V C 1.494 177.570 176.094 -0.029 0.000 1.364 325 V CA 0.969 63.254 62.300 -0.025 0.000 1.118 325 V CB -0.076 31.735 31.823 -0.020 0.000 0.972 325 V HN 0.749 nan 8.190 nan 0.000 0.430 326 G N 1.270 110.044 108.800 -0.043 0.000 2.198 326 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 326 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 326 G C 0.122 175.015 174.900 -0.012 0.000 1.025 326 G CA 0.565 45.641 45.100 -0.040 0.000 0.769 326 G HN 0.528 nan 8.290 nan 0.000 0.507 327 K N 1.150 121.545 120.400 -0.008 0.000 2.159 327 K HA 0.461 4.781 4.320 0.000 0.000 0.266 327 K C -2.181 174.425 176.600 0.011 0.000 0.975 327 K CA -2.082 54.206 56.287 0.001 0.000 0.865 327 K CB 1.918 34.411 32.500 -0.012 0.000 1.087 327 K HN 0.017 nan 8.250 nan 0.000 0.446 328 P HA -0.066 nan 4.420 nan 0.000 0.265 328 P C -0.802 176.500 177.300 0.004 0.000 1.193 328 P CA -0.131 62.974 63.100 0.008 0.000 0.765 328 P CB 0.799 32.498 31.700 -0.001 0.000 0.823 329 V N 5.115 125.033 119.914 0.007 0.000 2.588 329 V HA 0.451 4.571 4.120 0.000 0.000 0.304 329 V C -0.446 175.647 176.094 -0.002 0.000 1.042 329 V CA -1.056 61.253 62.300 0.015 0.000 0.877 329 V CB 1.450 33.297 31.823 0.041 0.000 0.996 329 V HN 0.293 nan 8.190 nan 0.000 0.425 330 I N 5.462 126.025 120.570 -0.012 0.000 2.354 330 I HA 0.386 4.556 4.170 0.000 0.000 0.292 330 I C 0.213 176.329 176.117 -0.001 0.000 0.989 330 I CA -0.259 61.031 61.300 -0.016 0.000 1.188 330 I CB 1.913 39.887 38.000 -0.043 0.000 1.342 330 I HN 0.482 nan 8.210 nan 0.000 0.457 331 T N 5.895 120.451 114.554 0.003 0.000 2.743 331 T HA 0.642 4.992 4.350 0.000 0.000 0.293 331 T C -0.024 174.681 174.700 0.009 0.000 0.945 331 T CA -0.407 61.696 62.100 0.006 0.000 1.030 331 T CB 1.050 69.922 68.868 0.007 0.000 0.912 331 T HN 0.718 nan 8.240 nan 0.000 0.483 332 A N 3.176 126.003 122.820 0.011 0.000 2.469 332 A HA 0.964 5.284 4.320 0.000 0.000 0.299 332 A C 0.233 177.830 177.584 0.020 0.000 1.098 332 A CA -0.449 51.598 52.037 0.017 0.000 0.737 332 A CB 1.086 20.097 19.000 0.018 0.000 1.312 332 A HN 1.635 nan 8.150 nan 0.000 0.414 333 T N -0.961 113.608 114.554 0.025 0.000 0.541 333 T HA -0.158 4.192 4.350 0.000 0.000 0.774 333 T C 0.032 174.746 174.700 0.023 0.000 0.992 333 T CA 1.113 63.230 62.100 0.028 0.000 4.077 333 T CB -1.693 67.193 68.868 0.031 0.000 2.303 333 T HN 2.264 nan 8.240 nan 0.000 0.398 334 Q N 1.000 120.814 119.800 0.024 0.000 2.453 334 Q HA -0.249 4.091 4.340 0.000 0.000 0.294 334 Q C 1.118 177.127 176.000 0.015 0.000 1.295 334 Q CA 1.244 57.059 55.803 0.019 0.000 0.853 334 Q CB -0.965 27.785 28.738 0.019 0.000 1.193 334 Q HN 0.706 nan 8.270 nan 0.000 0.461 335 M N -0.904 118.705 119.600 0.015 0.000 2.224 335 M HA 0.030 4.510 4.480 0.000 0.000 0.253 335 M C 1.018 177.321 176.300 0.005 0.000 1.115 335 M CA 1.135 56.441 55.300 0.010 0.000 1.168 335 M CB -0.119 32.488 32.600 0.012 0.000 1.288 335 M HN 0.256 nan 8.290 nan 0.000 0.446 336 L N 0.319 121.547 121.223 0.008 0.000 3.347 336 L HA 0.253 4.593 4.340 0.000 0.000 0.306 336 L C 1.391 178.269 176.870 0.014 0.000 1.301 336 L CA 0.097 54.939 54.840 0.004 0.000 0.985 336 L CB -0.305 41.753 42.059 -0.001 0.000 1.400 336 L HN 0.286 nan 8.230 nan 0.000 0.601 337 E N 0.037 120.247 120.200 0.017 0.000 2.169 337 E HA -0.293 4.057 4.350 0.000 0.000 0.202 337 E C 1.854 178.470 176.600 0.027 0.000 1.016 337 E CA 1.870 58.284 56.400 0.023 0.000 0.817 337 E CB 0.198 29.910 29.700 0.021 0.000 0.736 337 E HN 0.583 nan 8.360 nan 0.000 0.462 338 S N -0.016 115.695 115.700 0.018 0.000 2.515 338 S HA -0.046 4.424 4.470 0.000 0.000 0.231 338 S C 1.790 176.410 174.600 0.033 0.000 0.987 338 S CA 0.501 58.713 58.200 0.020 0.000 0.936 338 S CB -0.092 63.111 63.200 0.004 0.000 0.766 338 S HN 0.177 nan 8.310 nan 0.000 0.528 339 M N 0.515 120.137 119.600 0.036 0.000 2.618 339 M HA 0.264 4.744 4.480 0.000 0.000 0.240 339 M C 1.360 177.748 176.300 0.148 0.000 1.123 339 M CA 0.343 55.682 55.300 0.065 0.000 1.060 339 M CB -0.422 32.197 32.600 0.032 0.000 1.535 339 M HN 0.345 nan 8.290 nan 0.000 0.507 340 I N 1.312 121.944 120.570 0.103 0.000 2.335 340 I HA -0.293 3.877 4.170 0.000 0.000 0.251 340 I C 2.730 178.926 176.117 0.132 0.000 1.129 340 I CA 1.803 63.161 61.300 0.097 0.000 1.402 340 I CB -0.357 37.675 38.000 0.054 0.000 1.069 340 I HN 0.344 nan 8.210 nan 0.000 0.424 341 K N -0.111 120.382 120.400 0.155 0.000 2.412 341 K HA 0.280 4.600 4.320 0.000 0.000 0.202 341 K C 0.292 177.076 176.600 0.306 0.000 1.102 341 K CA 0.101 56.497 56.287 0.183 0.000 1.027 341 K CB -0.312 32.246 32.500 0.095 0.000 0.931 341 K HN 0.367 nan 8.250 nan 0.000 0.557 342 N N 0.407 119.237 118.700 0.216 0.000 2.269 342 N HA 0.315 5.055 4.740 0.000 0.000 0.304 342 N C -2.498 172.767 175.510 -0.408 0.000 1.072 342 N CA -1.850 51.193 53.050 -0.011 0.000 0.802 342 N CB 2.798 41.260 38.487 -0.041 0.000 1.348 342 N HN -0.127 nan 8.380 nan 0.000 0.484 343 P HA 0.026 nan 4.420 nan 0.000 0.245 343 P C -0.682 176.347 177.300 -0.450 0.000 1.212 343 P CA 0.728 63.202 63.100 -1.043 0.000 0.774 343 P CB 0.453 31.541 31.700 -1.020 0.000 0.999 344 R N 0.148 120.478 120.500 -0.283 0.000 2.725 344 R HA 0.508 4.848 4.340 0.000 0.000 0.277 344 R C -2.698 173.532 176.300 -0.117 0.000 0.987 344 R CA -2.074 53.922 56.100 -0.174 0.000 0.901 344 R CB 1.706 31.922 30.300 -0.140 0.000 1.207 344 R HN -0.062 nan 8.270 nan 0.000 0.463 345 P HA 0.125 nan 4.420 nan 0.000 0.279 345 P C -0.475 176.796 177.300 -0.049 0.000 1.276 345 P CA -0.514 62.552 63.100 -0.057 0.000 0.801 345 P CB 0.639 32.309 31.700 -0.050 0.000 1.127 346 T N -2.479 112.053 114.554 -0.035 0.000 2.828 346 T HA 0.186 4.536 4.350 0.000 0.000 0.290 346 T C 1.381 176.062 174.700 -0.032 0.000 1.019 346 T CA -0.583 61.498 62.100 -0.031 0.000 1.031 346 T CB 0.676 69.531 68.868 -0.023 0.000 1.001 346 T HN 0.281 nan 8.240 nan 0.000 0.531 347 R N 0.774 121.256 120.500 -0.030 0.000 2.080 347 R HA -0.132 4.208 4.340 0.000 0.000 0.236 347 R C 2.544 178.828 176.300 -0.027 0.000 1.137 347 R CA 2.018 58.101 56.100 -0.029 0.000 0.943 347 R CB -1.451 28.833 30.300 -0.027 0.000 0.846 347 R HN 0.882 nan 8.270 nan 0.000 0.431 348 A N 1.117 123.922 122.820 -0.025 0.000 1.892 348 A HA -0.215 4.105 4.320 0.000 0.000 0.218 348 A C 2.098 179.669 177.584 -0.021 0.000 1.188 348 A CA 1.899 53.922 52.037 -0.024 0.000 0.631 348 A CB -0.522 18.465 19.000 -0.021 0.000 0.822 348 A HN 0.552 nan 8.150 nan 0.000 0.447 349 E N -0.396 119.792 120.200 -0.019 0.000 2.031 349 E HA -0.124 4.226 4.350 0.000 0.000 0.193 349 E C 2.399 178.987 176.600 -0.019 0.000 0.994 349 E CA 1.016 57.406 56.400 -0.016 0.000 0.800 349 E CB -0.351 29.339 29.700 -0.016 0.000 0.752 349 E HN 0.617 nan 8.360 nan 0.000 0.447 350 A N 1.593 124.397 122.820 -0.025 0.000 1.892 350 A HA -0.222 4.098 4.320 0.000 0.000 0.218 350 A C 2.426 179.996 177.584 -0.023 0.000 1.188 350 A CA 2.075 54.096 52.037 -0.027 0.000 0.631 350 A CB -0.872 18.108 19.000 -0.032 0.000 0.822 350 A HN 0.317 nan 8.150 nan 0.000 0.447 351 A N -0.436 122.370 122.820 -0.024 0.000 1.933 351 A HA -0.194 4.126 4.320 0.000 0.000 0.218 351 A C 1.835 179.406 177.584 -0.022 0.000 1.175 351 A CA 2.216 54.238 52.037 -0.025 0.000 0.628 351 A CB -0.710 18.272 19.000 -0.030 0.000 0.814 351 A HN 0.575 nan 8.150 nan 0.000 0.444 352 D N -0.632 119.757 120.400 -0.019 0.000 2.117 352 D HA -0.114 4.526 4.640 0.000 0.000 0.197 352 D C 1.794 178.090 176.300 -0.006 0.000 0.987 352 D CA 1.494 55.487 54.000 -0.011 0.000 0.829 352 D CB -0.058 40.738 40.800 -0.007 0.000 0.961 352 D HN 0.141 nan 8.370 nan 0.000 0.460 353 V N 0.636 120.546 119.914 -0.008 0.000 2.307 353 V HA -0.194 3.926 4.120 0.000 0.000 0.245 353 V C 2.547 178.639 176.094 -0.004 0.000 1.045 353 V CA 1.736 64.033 62.300 -0.004 0.000 1.024 353 V CB -0.904 30.914 31.823 -0.008 0.000 0.651 353 V HN 0.331 nan 8.190 nan 0.000 0.449 354 A N 0.339 123.153 122.820 -0.009 0.000 1.883 354 A HA -0.249 4.071 4.320 0.000 0.000 0.217 354 A C 2.084 179.661 177.584 -0.013 0.000 1.186 354 A CA 2.103 54.133 52.037 -0.011 0.000 0.624 354 A CB -0.697 18.293 19.000 -0.016 0.000 0.822 354 A HN 0.589 nan 8.150 nan 0.000 0.444 355 N N 0.247 118.939 118.700 -0.014 0.000 2.244 355 N HA -0.095 4.645 4.740 0.000 0.000 0.183 355 N C 1.899 177.407 175.510 -0.003 0.000 1.016 355 N CA 1.351 54.394 53.050 -0.012 0.000 0.866 355 N CB -0.465 38.013 38.487 -0.015 0.000 0.980 355 N HN 0.485 nan 8.380 nan 0.000 0.430 356 A N 0.861 123.682 122.820 0.002 0.000 1.902 356 A HA -0.094 4.226 4.320 0.000 0.000 0.217 356 A C 2.527 180.115 177.584 0.005 0.000 1.181 356 A CA 1.274 53.315 52.037 0.007 0.000 0.623 356 A CB -0.768 18.237 19.000 0.009 0.000 0.818 356 A HN 0.099 nan 8.150 nan 0.000 0.443 357 V N 0.030 119.947 119.914 0.005 0.000 2.343 357 V HA -0.261 3.860 4.120 0.000 0.000 0.247 357 V C 2.521 178.609 176.094 -0.009 0.000 1.051 357 V CA 2.049 64.353 62.300 0.006 0.000 1.036 357 V CB -0.745 31.084 31.823 0.011 0.000 0.654 357 V HN 0.573 nan 8.190 nan 0.000 0.451 358 L N -0.420 120.791 121.223 -0.020 0.000 2.217 358 L HA -0.111 4.229 4.340 0.000 0.000 0.211 358 L C 2.194 179.051 176.870 -0.021 0.000 1.107 358 L CA 1.029 55.849 54.840 -0.033 0.000 0.783 358 L CB -0.646 41.390 42.059 -0.039 0.000 0.919 358 L HN 0.300 nan 8.230 nan 0.000 0.442 359 D N 0.419 120.814 120.400 -0.008 0.000 2.218 359 D HA -0.079 4.561 4.640 0.000 0.000 0.204 359 D C 1.662 177.960 176.300 -0.003 0.000 0.976 359 D CA 1.505 55.504 54.000 -0.001 0.000 0.853 359 D CB 0.115 40.918 40.800 0.006 0.000 0.939 359 D HN 0.407 nan 8.370 nan 0.000 0.481 360 G N -0.301 108.498 108.800 -0.002 0.000 2.151 360 G HA2 -0.207 3.753 3.960 0.000 0.000 0.140 360 G HA3 -0.207 3.753 3.960 0.000 0.000 0.140 360 G C 0.442 175.350 174.900 0.013 0.000 1.020 360 G CA 0.156 45.259 45.100 0.004 0.000 0.688 360 G HN 0.333 nan 8.290 nan 0.000 0.500 361 T N 0.013 114.575 114.554 0.014 0.000 2.946 361 T HA 0.281 4.631 4.350 0.000 0.000 0.312 361 T C 1.537 176.254 174.700 0.029 0.000 1.066 361 T CA 1.369 63.480 62.100 0.018 0.000 1.138 361 T CB 0.318 69.196 68.868 0.016 0.000 1.014 361 T HN 0.264 nan 8.240 nan 0.000 0.544 362 D N 1.578 121.993 120.400 0.026 0.000 2.120 362 D HA 0.109 4.749 4.640 0.000 0.000 0.202 362 D C 0.408 176.732 176.300 0.041 0.000 0.972 362 D CA 0.825 54.845 54.000 0.034 0.000 0.837 362 D CB 0.277 41.091 40.800 0.023 0.000 0.989 362 D HN 0.498 nan 8.370 nan 0.000 0.469 363 C N 0.049 119.362 119.300 0.023 0.000 2.779 363 C HA 0.761 5.221 4.460 0.000 0.000 0.314 363 C C -0.377 174.626 174.990 0.022 0.000 1.231 363 C CA -1.198 57.836 59.018 0.025 0.000 1.652 363 C CB 1.597 29.335 27.740 -0.004 0.000 2.198 363 C HN 0.124 nan 8.230 nan 0.000 0.483 364 V N -0.018 119.913 119.914 0.028 0.000 2.680 364 V HA 0.713 4.833 4.120 0.000 0.000 0.309 364 V C -0.683 175.422 176.094 0.019 0.000 1.052 364 V CA -0.623 61.690 62.300 0.020 0.000 0.908 364 V CB 1.647 33.481 31.823 0.020 0.000 1.001 364 V HN 0.993 nan 8.190 nan 0.000 0.431 365 M N 4.377 123.987 119.600 0.016 0.000 2.364 365 M HA 0.662 5.142 4.480 0.000 0.000 0.334 365 M C -1.638 174.677 176.300 0.025 0.000 1.107 365 M CA -0.720 54.592 55.300 0.020 0.000 0.988 365 M CB 1.825 34.435 32.600 0.016 0.000 1.673 365 M HN 0.751 nan 8.290 nan 0.000 0.441 366 L N 2.894 124.137 121.223 0.032 0.000 2.309 366 L HA 0.490 4.830 4.340 0.000 0.000 0.282 366 L C 0.069 176.966 176.870 0.044 0.000 1.036 366 L CA -0.284 54.577 54.840 0.036 0.000 0.806 366 L CB 1.943 44.025 42.059 0.037 0.000 1.220 366 L HN 0.827 nan 8.230 nan 0.000 0.429 367 S N 1.002 116.729 115.700 0.044 0.000 3.200 367 S HA 0.164 4.634 4.470 0.000 0.000 0.173 367 S C 1.555 176.185 174.600 0.050 0.000 0.768 367 S CA 0.322 58.553 58.200 0.051 0.000 1.018 367 S CB -0.280 62.950 63.200 0.050 0.000 0.769 367 S HN 0.845 nan 8.310 nan 0.000 0.736 368 G N 1.170 109.997 108.800 0.045 0.000 2.470 368 G HA2 -0.159 3.801 3.960 0.000 0.000 0.220 368 G HA3 -0.159 3.801 3.960 0.000 0.000 0.220 368 G C 0.992 175.916 174.900 0.039 0.000 1.121 368 G CA 0.970 46.093 45.100 0.038 0.000 0.766 368 G HN 0.505 nan 8.290 nan 0.000 0.553 369 E N 0.198 120.425 120.200 0.044 0.000 2.110 369 E HA -0.095 4.255 4.350 0.000 0.000 0.193 369 E C 2.783 179.416 176.600 0.055 0.000 0.988 369 E CA 1.825 58.256 56.400 0.052 0.000 0.804 369 E CB -0.255 29.474 29.700 0.049 0.000 0.745 369 E HN 0.593 nan 8.360 nan 0.000 0.458 370 T N -2.777 111.808 114.554 0.052 0.000 3.023 370 T HA 0.359 4.709 4.350 0.000 0.000 0.249 370 T C 1.973 176.705 174.700 0.052 0.000 1.050 370 T CA 0.288 62.420 62.100 0.054 0.000 1.088 370 T CB 0.097 68.999 68.868 0.058 0.000 0.946 370 T HN 0.129 nan 8.240 nan 0.000 0.480 371 A N 2.821 125.671 122.820 0.050 0.000 1.872 371 A HA 0.119 4.439 4.320 0.000 0.000 0.214 371 A C 1.717 179.318 177.584 0.028 0.000 1.187 371 A CA 1.347 53.413 52.037 0.048 0.000 0.614 371 A CB -0.545 18.485 19.000 0.051 0.000 0.826 371 A HN 0.633 nan 8.150 nan 0.000 0.442 372 N N -1.396 117.314 118.700 0.017 0.000 2.299 372 N HA 0.363 5.103 4.740 0.000 0.000 0.246 372 N C 0.160 175.667 175.510 -0.006 0.000 1.254 372 N CA 0.263 53.311 53.050 -0.004 0.000 0.879 372 N CB 1.217 39.696 38.487 -0.014 0.000 1.214 372 N HN 0.420 nan 8.380 nan 0.000 0.510 373 G N -0.150 108.652 108.800 0.003 0.000 2.471 373 G HA2 0.220 4.180 3.960 0.000 0.000 0.332 373 G HA3 0.220 4.180 3.960 0.000 0.000 0.332 373 G C 0.233 175.091 174.900 -0.070 0.000 1.176 373 G CA -0.307 44.793 45.100 -0.001 0.000 0.949 373 G HN 0.021 nan 8.290 nan 0.000 0.488 374 E N -0.717 119.388 120.200 -0.158 0.000 2.285 374 E HA 0.076 4.426 4.350 0.000 0.000 0.194 374 E C -0.042 176.129 176.600 -0.717 0.000 0.997 374 E CA 0.817 56.915 56.400 -0.504 0.000 0.845 374 E CB -0.009 29.212 29.700 -0.799 0.000 0.782 374 E HN 0.374 nan 8.360 nan 0.000 0.491 375 F N -0.448 119.505 119.950 0.005 0.000 2.597 375 F HA 0.269 4.796 4.527 0.000 0.000 0.336 375 F C -1.822 173.979 175.800 0.002 0.000 1.432 375 F CA -1.840 56.160 58.000 0.000 0.000 1.120 375 F CB 1.233 40.227 39.000 -0.010 0.000 1.253 375 F HN -0.045 nan 8.300 nan 0.000 0.546 376 P HA -0.137 nan 4.420 nan 0.000 0.217 376 P C 1.642 178.989 177.300 0.078 0.000 1.150 376 P CA 1.243 64.389 63.100 0.077 0.000 0.832 376 P CB 0.570 32.300 31.700 0.051 0.000 0.787 377 V N 0.197 120.161 119.914 0.083 0.000 2.346 377 V HA -0.156 3.964 4.120 0.000 0.000 0.244 377 V C 2.737 178.866 176.094 0.058 0.000 1.037 377 V CA 1.265 63.609 62.300 0.073 0.000 1.029 377 V CB -1.017 30.850 31.823 0.072 0.000 0.663 377 V HN -0.050 nan 8.190 nan 0.000 0.454 378 I N 0.365 120.983 120.570 0.079 0.000 2.264 378 I HA -0.267 3.903 4.170 0.000 0.000 0.248 378 I C 2.517 178.625 176.117 -0.015 0.000 1.111 378 I CA 1.856 63.169 61.300 0.022 0.000 1.382 378 I CB -0.485 37.544 38.000 0.048 0.000 1.060 378 I HN 0.362 nan 8.210 nan 0.000 0.418 379 T N 0.223 114.800 114.554 0.039 0.000 2.674 379 T HA -0.142 4.208 4.350 0.000 0.000 0.265 379 T C 2.006 176.699 174.700 -0.012 0.000 1.039 379 T CA 1.483 63.592 62.100 0.014 0.000 1.150 379 T CB -0.429 68.471 68.868 0.053 0.000 0.864 379 T HN 0.116 nan 8.240 nan 0.000 0.427 380 V N 1.417 121.338 119.914 0.011 0.000 2.324 380 V HA -0.234 3.886 4.120 0.000 0.000 0.250 380 V C 2.509 178.584 176.094 -0.031 0.000 1.060 380 V CA 1.970 64.277 62.300 0.012 0.000 1.042 380 V CB -0.650 31.206 31.823 0.056 0.000 0.650 380 V HN 0.516 nan 8.190 nan 0.000 0.450 381 E N 0.151 120.307 120.200 -0.073 0.000 2.051 381 E HA -0.236 4.114 4.350 0.000 0.000 0.192 381 E C 2.389 178.775 176.600 -0.356 0.000 0.991 381 E CA 1.889 58.140 56.400 -0.247 0.000 0.799 381 E CB -0.191 29.340 29.700 -0.282 0.000 0.748 381 E HN 0.769 nan 8.360 nan 0.000 0.449 382 T N -0.921 113.487 114.554 -0.242 0.000 2.951 382 T HA -0.180 4.170 4.350 0.000 0.000 0.268 382 T C 1.825 176.434 174.700 -0.152 0.000 1.073 382 T CA 1.266 63.234 62.100 -0.220 0.000 1.134 382 T CB -0.138 68.631 68.868 -0.164 0.000 0.884 382 T HN 0.099 nan 8.240 nan 0.000 0.479 383 M N 2.191 121.723 119.600 -0.115 0.000 2.086 383 M HA 0.235 4.715 4.480 0.000 0.000 0.261 383 M C 2.449 178.681 176.300 -0.114 0.000 1.067 383 M CA 1.850 57.100 55.300 -0.084 0.000 1.116 383 M CB -1.006 31.560 32.600 -0.056 0.000 1.348 383 M HN 0.328 nan 8.290 nan 0.000 0.407 384 A N 0.229 122.954 122.820 -0.158 0.000 1.933 384 A HA -0.176 4.144 4.320 0.000 0.000 0.218 384 A C 2.259 179.836 177.584 -0.012 0.000 1.175 384 A CA 1.958 53.852 52.037 -0.238 0.000 0.628 384 A CB -0.662 18.319 19.000 -0.032 0.000 0.814 384 A HN 0.642 nan 8.150 nan 0.000 0.444 385 R N -0.748 119.717 120.500 -0.058 0.000 2.090 385 R HA 0.081 4.421 4.340 0.000 0.000 0.228 385 R C 1.946 178.286 176.300 0.067 0.000 1.110 385 R CA 1.288 57.391 56.100 0.005 0.000 0.973 385 R CB -0.410 29.751 30.300 -0.232 0.000 0.869 385 R HN 0.543 nan 8.270 nan 0.000 0.440 386 I N 0.185 120.753 120.570 -0.003 0.000 2.226 386 I HA -0.349 3.821 4.170 0.000 0.000 0.245 386 I C 2.288 178.432 176.117 0.045 0.000 1.100 386 I CA 1.062 62.368 61.300 0.010 0.000 1.374 386 I CB -0.250 37.737 38.000 -0.022 0.000 1.057 386 I HN 0.260 nan 8.210 nan 0.000 0.413 387 C N -0.323 119.008 119.300 0.051 0.000 2.432 387 C HA -0.234 4.226 4.460 0.000 0.000 0.277 387 C C 2.771 177.858 174.990 0.162 0.000 1.249 387 C CA 0.709 59.779 59.018 0.088 0.000 1.725 387 C CB -1.020 26.764 27.740 0.074 0.000 2.028 387 C HN 0.514 nan 8.230 nan 0.000 0.477 388 Y N 1.732 122.115 120.300 0.138 0.000 2.151 388 Y HA -0.257 4.293 4.550 0.000 0.000 0.284 388 Y C 2.484 178.449 175.900 0.109 0.000 1.166 388 Y CA 2.325 60.529 58.100 0.173 0.000 1.163 388 Y CB -0.214 38.388 38.460 0.238 0.000 0.974 388 Y HN 0.298 nan 8.280 nan 0.000 0.511 389 E N -0.050 120.242 120.200 0.153 0.000 2.072 389 E HA -0.125 4.225 4.350 0.000 0.000 0.191 389 E C 2.199 178.778 176.600 -0.036 0.000 0.985 389 E CA 1.241 57.671 56.400 0.049 0.000 0.801 389 E CB -0.432 29.320 29.700 0.087 0.000 0.750 389 E HN 0.499 nan 8.360 nan 0.000 0.452 390 A N 0.427 123.235 122.820 -0.021 0.000 2.015 390 A HA -0.154 4.166 4.320 0.000 0.000 0.219 390 A C 1.827 179.361 177.584 -0.083 0.000 1.163 390 A CA 1.428 53.440 52.037 -0.042 0.000 0.646 390 A CB -0.410 18.577 19.000 -0.021 0.000 0.806 390 A HN 0.253 nan 8.150 nan 0.000 0.448 391 E N -0.754 119.386 120.200 -0.100 0.000 2.347 391 E HA -0.061 4.289 4.350 0.000 0.000 0.196 391 E C 1.490 177.966 176.600 -0.206 0.000 1.008 391 E CA 1.136 57.454 56.400 -0.137 0.000 0.852 391 E CB -0.097 29.562 29.700 -0.069 0.000 0.783 391 E HN 0.577 nan 8.360 nan 0.000 0.505 392 T N -0.302 114.124 114.554 -0.214 0.000 3.023 392 T HA -0.076 4.275 4.350 0.000 0.000 0.266 392 T C 1.726 176.345 174.700 -0.135 0.000 1.093 392 T CA 0.434 62.427 62.100 -0.179 0.000 1.129 392 T CB -0.072 68.694 68.868 -0.169 0.000 0.899 392 T HN 0.293 nan 8.240 nan 0.000 0.491 393 C N 1.535 120.755 119.300 -0.132 0.000 2.539 393 C HA 0.241 4.701 4.460 0.000 0.000 0.268 393 C C 1.195 176.090 174.990 -0.158 0.000 1.395 393 C CA -0.610 58.340 59.018 -0.114 0.000 1.757 393 C CB -0.883 26.805 27.740 -0.086 0.000 1.851 393 C HN 0.250 nan 8.230 nan 0.000 0.545 394 V N 2.500 122.261 119.914 -0.256 0.000 2.479 394 V HA 0.074 4.194 4.120 0.000 0.000 0.281 394 V C 0.246 176.094 176.094 -0.409 0.000 1.031 394 V CA 0.468 62.540 62.300 -0.380 0.000 1.038 394 V CB 0.527 31.991 31.823 -0.598 0.000 0.981 394 V HN 0.336 nan 8.190 nan 0.000 0.478 395 D N 4.711 124.967 120.400 -0.240 0.000 2.453 395 D HA 0.095 4.735 4.640 0.000 0.000 0.223 395 D C 0.481 176.732 176.300 -0.082 0.000 1.183 395 D CA -0.089 53.835 54.000 -0.126 0.000 0.933 395 D CB 0.530 41.297 40.800 -0.057 0.000 1.038 395 D HN 0.525 nan 8.370 nan 0.000 0.513 396 Y N 3.013 123.318 120.300 0.008 0.000 2.114 396 Y HA -0.094 4.456 4.550 0.000 0.000 0.284 396 Y C -0.532 175.385 175.900 0.028 0.000 1.143 396 Y CA 1.021 59.132 58.100 0.018 0.000 1.135 396 Y CB -1.542 36.928 38.460 0.017 0.000 0.980 396 Y HN 0.451 nan 8.280 nan 0.000 0.499 397 P HA -0.176 nan 4.420 nan 0.000 0.218 397 P C 1.310 178.662 177.300 0.087 0.000 1.148 397 P CA 2.196 65.364 63.100 0.112 0.000 0.822 397 P CB -0.146 31.602 31.700 0.080 0.000 0.784 398 A N -0.851 122.010 122.820 0.068 0.000 1.968 398 A HA -0.106 4.214 4.320 0.000 0.000 0.217 398 A C 2.171 179.790 177.584 0.057 0.000 1.169 398 A CA 1.094 53.159 52.037 0.047 0.000 0.638 398 A CB -1.425 17.588 19.000 0.021 0.000 0.812 398 A HN 0.112 nan 8.150 nan 0.000 0.446 399 L N -1.433 119.835 121.223 0.075 0.000 2.027 399 L HA -0.190 4.150 4.340 0.000 0.000 0.206 399 L C 3.110 180.049 176.870 0.116 0.000 1.074 399 L CA 2.008 56.898 54.840 0.084 0.000 0.745 399 L CB -1.244 40.877 42.059 0.103 0.000 0.898 399 L HN 0.635 nan 8.230 nan 0.000 0.433 400 Y N 0.355 120.749 120.300 0.157 0.000 2.181 400 Y HA -0.256 4.294 4.550 0.000 0.000 0.288 400 Y C 2.942 178.937 175.900 0.159 0.000 1.146 400 Y CA 2.644 60.867 58.100 0.206 0.000 1.164 400 Y CB -1.313 37.248 38.460 0.168 0.000 0.982 400 Y HN 0.315 nan 8.280 nan 0.000 0.515 401 R N 0.534 121.096 120.500 0.103 0.000 2.073 401 R HA 0.074 4.414 4.340 0.000 0.000 0.234 401 R C 2.711 179.055 176.300 0.073 0.000 1.134 401 R CA 2.047 58.192 56.100 0.076 0.000 0.952 401 R CB -1.686 28.647 30.300 0.054 0.000 0.850 401 R HN 1.223 nan 8.270 nan 0.000 0.433 402 A N -0.393 122.467 122.820 0.067 0.000 2.015 402 A HA 0.067 4.387 4.320 0.000 0.000 0.219 402 A C 2.305 179.924 177.584 0.058 0.000 1.163 402 A CA 1.807 53.875 52.037 0.051 0.000 0.646 402 A CB -0.248 18.773 19.000 0.035 0.000 0.806 402 A HN 0.518 nan 8.150 nan 0.000 0.448 403 M N -0.831 118.820 119.600 0.086 0.000 2.288 403 M HA -0.031 4.449 4.480 0.000 0.000 0.266 403 M C 1.944 178.343 176.300 0.165 0.000 1.072 403 M CA 1.347 56.697 55.300 0.083 0.000 1.132 403 M CB -0.789 31.838 32.600 0.046 0.000 1.386 403 M HN 0.454 nan 8.290 nan 0.000 0.432 404 C N -0.877 118.540 119.300 0.194 0.000 2.440 404 C HA -0.020 4.440 4.460 0.000 0.000 0.278 404 C C 2.958 178.004 174.990 0.093 0.000 1.295 404 C CA 1.271 60.383 59.018 0.157 0.000 1.738 404 C CB -1.787 26.014 27.740 0.102 0.000 1.987 404 C HN 0.605 nan 8.230 nan 0.000 0.492 405 L N -0.183 121.082 121.223 0.071 0.000 2.179 405 L HA 0.416 4.757 4.340 0.000 0.000 0.208 405 L C 2.588 179.483 176.870 0.041 0.000 1.096 405 L CA 2.141 57.010 54.840 0.047 0.000 0.779 405 L CB -1.663 40.419 42.059 0.038 0.000 0.922 405 L HN 0.430 nan 8.230 nan 0.000 0.443 406 A N -0.486 122.359 122.820 0.042 0.000 1.903 406 A HA 0.520 4.840 4.320 0.000 0.000 0.213 406 A C 1.491 179.093 177.584 0.030 0.000 1.185 406 A CA 1.268 53.323 52.037 0.029 0.000 0.628 406 A CB -0.791 18.220 19.000 0.019 0.000 0.830 406 A HN 1.357 nan 8.150 nan 0.000 0.446 411 I N -1.797 118.790 120.570 0.027 0.000 2.530 411 I HA 0.787 4.957 4.170 0.000 0.000 0.297 411 I C 0.297 176.430 176.117 0.026 0.000 1.011 411 I CA -0.575 60.747 61.300 0.036 0.000 1.107 411 I CB 2.127 40.161 38.000 0.057 0.000 1.285 411 I HN 0.395 nan 8.210 nan 0.000 0.436 412 S N 2.634 118.351 115.700 0.028 0.000 2.608 412 S HA 0.216 4.686 4.470 0.000 0.000 0.261 412 S C 1.027 175.635 174.600 0.014 0.000 1.314 412 S CA 0.026 58.236 58.200 0.018 0.000 0.992 412 S CB 1.007 64.218 63.200 0.018 0.000 0.935 412 S HN 0.775 nan 8.310 nan 0.000 0.564 413 T N 1.981 116.539 114.554 0.006 0.000 2.635 413 T HA -0.190 4.160 4.350 0.000 0.000 0.267 413 T C 2.175 176.875 174.700 0.001 0.000 1.040 413 T CA 2.035 64.135 62.100 -0.000 0.000 1.156 413 T CB -0.575 68.290 68.868 -0.004 0.000 0.863 413 T HN 0.813 nan 8.240 nan 0.000 0.430 414 Q N 1.165 120.968 119.800 0.006 0.000 2.084 414 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 414 Q C 2.030 178.046 176.000 0.028 0.000 0.978 414 Q CA 1.722 57.531 55.803 0.011 0.000 0.844 414 Q CB -0.540 28.205 28.738 0.012 0.000 0.898 414 Q HN 0.608 nan 8.270 nan 0.000 0.426 415 E N 0.841 121.067 120.200 0.044 0.000 2.208 415 E HA -0.041 4.309 4.350 0.000 0.000 0.193 415 E C 1.952 178.563 176.600 0.019 0.000 0.988 415 E CA 0.808 57.256 56.400 0.080 0.000 0.828 415 E CB -0.021 29.750 29.700 0.118 0.000 0.763 415 E HN 0.463 nan 8.360 nan 0.000 0.478 416 A N 0.206 123.023 122.820 -0.005 0.000 1.873 416 A HA -0.113 4.207 4.320 0.000 0.000 0.215 416 A C 2.325 179.872 177.584 -0.062 0.000 1.186 416 A CA 1.269 53.281 52.037 -0.041 0.000 0.616 416 A CB -0.535 18.451 19.000 -0.024 0.000 0.823 416 A HN 0.202 nan 8.150 nan 0.000 0.442 417 V N -0.040 119.853 119.914 -0.035 0.000 2.427 417 V HA -0.198 3.922 4.120 0.000 0.000 0.248 417 V C 3.005 179.076 176.094 -0.038 0.000 1.051 417 V CA 1.712 63.993 62.300 -0.031 0.000 1.048 417 V CB -1.255 30.561 31.823 -0.012 0.000 0.666 417 V HN 0.604 nan 8.190 nan 0.000 0.456 418 A N 0.347 123.152 122.820 -0.025 0.000 1.858 418 A HA -0.265 4.055 4.320 0.000 0.000 0.216 418 A C 2.435 179.947 177.584 -0.119 0.000 1.190 418 A CA 2.133 54.163 52.037 -0.011 0.000 0.617 418 A CB -0.591 18.456 19.000 0.078 0.000 0.827 418 A HN 0.469 nan 8.150 nan 0.000 0.443 419 R N -0.394 119.929 120.500 -0.295 0.000 2.081 419 R HA -0.101 4.239 4.340 0.000 0.000 0.235 419 R C 2.222 178.353 176.300 -0.280 0.000 1.131 419 R CA 1.429 57.189 56.100 -0.566 0.000 0.960 419 R CB -0.395 29.480 30.300 -0.708 0.000 0.856 419 R HN 0.440 nan 8.270 nan 0.000 0.436 420 A N 0.444 123.163 122.820 -0.169 0.000 2.015 420 A HA -0.046 4.274 4.320 0.000 0.000 0.219 420 A C 2.243 179.782 177.584 -0.075 0.000 1.163 420 A CA 1.479 53.454 52.037 -0.102 0.000 0.646 420 A CB -0.480 18.479 19.000 -0.069 0.000 0.806 420 A HN 0.540 nan 8.150 nan 0.000 0.448 421 A N -0.587 122.193 122.820 -0.068 0.000 1.897 421 A HA 0.084 4.404 4.320 0.000 0.000 0.215 421 A C 2.193 179.751 177.584 -0.043 0.000 1.181 421 A CA 1.524 53.537 52.037 -0.040 0.000 0.620 421 A CB -0.803 18.186 19.000 -0.019 0.000 0.821 421 A HN 0.325 nan 8.150 nan 0.000 0.443 422 V N -0.044 119.835 119.914 -0.058 0.000 2.295 422 V HA -0.281 3.839 4.120 0.000 0.000 0.246 422 V C 2.466 178.533 176.094 -0.046 0.000 1.049 422 V CA 2.432 64.707 62.300 -0.042 0.000 1.024 422 V CB -0.836 30.974 31.823 -0.021 0.000 0.648 422 V HN 0.644 nan 8.190 nan 0.000 0.447 423 E N -0.090 120.070 120.200 -0.065 0.000 2.058 423 E HA -0.210 4.140 4.350 0.000 0.000 0.194 423 E C 2.299 178.879 176.600 -0.034 0.000 0.997 423 E CA 2.068 58.439 56.400 -0.048 0.000 0.801 423 E CB -0.270 29.393 29.700 -0.060 0.000 0.746 423 E HN 0.615 nan 8.360 nan 0.000 0.450 424 T N 0.200 114.733 114.554 -0.036 0.000 2.821 424 T HA -0.122 4.228 4.350 0.000 0.000 0.267 424 T C 1.873 176.560 174.700 -0.023 0.000 1.046 424 T CA 1.037 63.121 62.100 -0.026 0.000 1.139 424 T CB -0.252 68.601 68.868 -0.025 0.000 0.871 424 T HN 0.269 nan 8.240 nan 0.000 0.454 425 A N 1.604 124.408 122.820 -0.027 0.000 1.902 425 A HA -0.164 4.156 4.320 0.000 0.000 0.217 425 A C 2.225 179.793 177.584 -0.027 0.000 1.181 425 A CA 2.013 54.033 52.037 -0.027 0.000 0.623 425 A CB -0.659 18.321 19.000 -0.033 0.000 0.818 425 A HN 0.649 nan 8.150 nan 0.000 0.443 426 E N -0.741 119.442 120.200 -0.027 0.000 2.031 426 E HA -0.243 4.107 4.350 0.000 0.000 0.193 426 E C 2.065 178.658 176.600 -0.012 0.000 0.994 426 E CA 1.553 57.941 56.400 -0.020 0.000 0.800 426 E CB -0.498 29.195 29.700 -0.012 0.000 0.752 426 E HN 0.542 nan 8.360 nan 0.000 0.447 427 C N -0.084 119.208 119.300 -0.012 0.000 2.413 427 C HA -0.077 4.383 4.460 0.000 0.000 0.276 427 C C 2.605 177.590 174.990 -0.008 0.000 1.248 427 C CA 1.130 60.143 59.018 -0.009 0.000 1.742 427 C CB -0.700 27.033 27.740 -0.012 0.000 2.017 427 C HN 0.461 nan 8.230 nan 0.000 0.481 428 V N 1.154 121.062 119.914 -0.011 0.000 3.608 428 V HA 0.132 4.252 4.120 0.000 0.000 0.269 428 V C 0.818 176.907 176.094 -0.009 0.000 1.245 428 V CA 1.246 63.541 62.300 -0.009 0.000 1.138 428 V CB -0.640 31.177 31.823 -0.011 0.000 0.841 428 V HN 0.760 nan 8.190 nan 0.000 0.451 429 N N 0.621 119.315 118.700 -0.011 0.000 2.756 429 N HA -0.180 4.560 4.740 0.000 0.000 0.248 429 N C -0.086 175.416 175.510 -0.013 0.000 1.062 429 N CA 0.777 53.821 53.050 -0.010 0.000 0.696 429 N CB -1.098 37.386 38.487 -0.005 0.000 0.946 429 N HN 0.588 nan 8.380 nan 0.000 0.548 430 A N 0.126 122.935 122.820 -0.017 0.000 2.445 430 A HA 0.637 4.957 4.320 0.000 0.000 0.242 430 A C 1.619 179.190 177.584 -0.020 0.000 1.075 430 A CA 0.449 52.475 52.037 -0.018 0.000 0.777 430 A CB 0.238 19.226 19.000 -0.020 0.000 1.013 430 A HN 0.731 nan 8.150 nan 0.000 0.493 431 A N 2.328 125.138 122.820 -0.017 0.000 1.873 431 A HA 0.280 4.600 4.320 0.000 0.000 0.215 431 A C 0.919 178.490 177.584 -0.022 0.000 1.186 431 A CA 1.693 53.720 52.037 -0.017 0.000 0.616 431 A CB -0.617 18.375 19.000 -0.013 0.000 0.823 431 A HN 1.363 nan 8.150 nan 0.000 0.442 432 I N -4.504 116.053 120.570 -0.021 0.000 2.994 432 I HA 0.620 4.791 4.170 0.000 0.000 0.306 432 I C -1.214 174.891 176.117 -0.020 0.000 1.195 432 I CA -1.140 60.147 61.300 -0.022 0.000 1.001 432 I CB 2.179 40.167 38.000 -0.019 0.000 1.244 432 I HN -0.059 nan 8.210 nan 0.000 0.437 433 I N 4.419 124.978 120.570 -0.018 0.000 2.339 433 I HA 0.376 4.546 4.170 0.000 0.000 0.290 433 I C -0.543 175.572 176.117 -0.003 0.000 0.994 433 I CA -0.520 60.774 61.300 -0.010 0.000 1.191 433 I CB 1.531 39.526 38.000 -0.008 0.000 1.343 433 I HN 0.342 nan 8.210 nan 0.000 0.458 434 L N 6.344 127.566 121.223 -0.001 0.000 2.276 434 L HA 0.591 4.931 4.340 0.000 0.000 0.286 434 L C 0.312 177.191 176.870 0.016 0.000 1.061 434 L CA -0.458 54.383 54.840 0.002 0.000 0.807 434 L CB 1.232 43.287 42.059 -0.007 0.000 1.177 434 L HN 0.656 nan 8.230 nan 0.000 0.429 435 A N 5.222 128.055 122.820 0.023 0.000 2.328 435 A HA 0.613 4.933 4.320 0.000 0.000 0.318 435 A C -0.695 176.918 177.584 0.049 0.000 1.347 435 A CA -0.550 51.513 52.037 0.044 0.000 0.842 435 A CB 0.413 19.442 19.000 0.047 0.000 1.148 435 A HN 0.520 nan 8.150 nan 0.000 0.499 436 L N 2.110 123.373 121.223 0.066 0.000 2.313 436 L HA 0.606 4.946 4.340 0.000 0.000 0.282 436 L C 0.749 177.725 176.870 0.178 0.000 1.092 436 L CA 0.810 55.691 54.840 0.069 0.000 0.831 436 L CB 1.230 43.255 42.059 -0.058 0.000 1.159 436 L HN 0.685 nan 8.230 nan 0.000 0.442 437 T N 1.113 115.741 114.554 0.123 0.000 2.982 437 T HA 0.364 4.714 4.350 0.000 0.000 0.321 437 T C 0.253 175.005 174.700 0.086 0.000 1.229 437 T CA -0.349 61.820 62.100 0.116 0.000 1.044 437 T CB 1.527 70.445 68.868 0.084 0.000 1.184 437 T HN 0.644 nan 8.240 nan 0.000 0.477 438 E N 1.049 121.297 120.200 0.081 0.000 2.290 438 E HA 0.140 4.490 4.350 0.000 0.000 0.199 438 E C 1.896 178.524 176.600 0.047 0.000 0.912 438 E CA 1.395 57.828 56.400 0.054 0.000 0.924 438 E CB 0.348 30.081 29.700 0.055 0.000 0.901 438 E HN 0.720 nan 8.360 nan 0.000 0.487 439 T N -3.461 111.124 114.554 0.053 0.000 3.060 439 T HA 0.354 4.704 4.350 0.000 0.000 0.249 439 T C 1.504 176.251 174.700 0.078 0.000 1.079 439 T CA 0.732 62.868 62.100 0.060 0.000 1.013 439 T CB 0.606 69.500 68.868 0.043 0.000 0.975 439 T HN 0.250 nan 8.240 nan 0.000 0.518 440 G N 1.172 110.016 108.800 0.074 0.000 2.268 440 G HA2 -0.372 3.588 3.960 0.000 0.000 0.240 440 G HA3 -0.372 3.588 3.960 0.000 0.000 0.240 440 G C 0.912 175.853 174.900 0.068 0.000 1.010 440 G CA 0.623 45.772 45.100 0.081 0.000 0.618 440 G HN 0.566 nan 8.290 nan 0.000 0.516 441 Q N 0.155 119.989 119.800 0.056 0.000 2.112 441 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 441 Q C 2.539 178.571 176.000 0.053 0.000 0.987 441 Q CA 2.517 58.348 55.803 0.047 0.000 0.858 441 Q CB -0.355 28.403 28.738 0.033 0.000 0.905 441 Q HN 0.601 nan 8.270 nan 0.000 0.420 442 T N 0.414 115.001 114.554 0.056 0.000 2.708 442 T HA -0.139 4.211 4.350 0.000 0.000 0.266 442 T C 1.729 176.469 174.700 0.067 0.000 1.037 442 T CA 1.352 63.489 62.100 0.061 0.000 1.146 442 T CB -0.350 68.561 68.868 0.072 0.000 0.865 442 T HN 0.481 nan 8.240 nan 0.000 0.435 443 A N 1.628 124.488 122.820 0.066 0.000 1.902 443 A HA -0.092 4.228 4.320 0.000 0.000 0.217 443 A C 2.365 179.989 177.584 0.066 0.000 1.181 443 A CA 1.347 53.422 52.037 0.063 0.000 0.623 443 A CB -0.483 18.553 19.000 0.061 0.000 0.818 443 A HN 0.385 nan 8.150 nan 0.000 0.443 444 R N -0.759 119.780 120.500 0.065 0.000 2.120 444 R HA -0.026 4.314 4.340 0.000 0.000 0.234 444 R C 1.959 178.295 176.300 0.060 0.000 1.123 444 R CA 1.344 57.478 56.100 0.058 0.000 0.975 444 R CB -0.415 29.916 30.300 0.053 0.000 0.866 444 R HN 0.515 nan 8.270 nan 0.000 0.446 445 L N 0.017 121.288 121.223 0.080 0.000 2.131 445 L HA -0.096 4.244 4.340 0.000 0.000 0.206 445 L C 2.203 179.199 176.870 0.209 0.000 1.087 445 L CA 0.903 55.818 54.840 0.125 0.000 0.767 445 L CB -0.198 41.936 42.059 0.125 0.000 0.917 445 L HN 0.142 nan 8.230 nan 0.000 0.441 446 I N -0.066 120.597 120.570 0.155 0.000 2.202 446 I HA -0.260 3.910 4.170 0.000 0.000 0.242 446 I C 2.769 178.979 176.117 0.154 0.000 1.091 446 I CA 1.224 62.620 61.300 0.161 0.000 1.368 446 I CB -0.458 37.594 38.000 0.087 0.000 1.058 446 I HN 0.170 nan 8.210 nan 0.000 0.410 447 A N 1.660 124.536 122.820 0.094 0.000 1.972 447 A HA -0.236 4.084 4.320 0.000 0.000 0.219 447 A C 2.300 179.907 177.584 0.038 0.000 1.169 447 A CA 1.919 53.995 52.037 0.065 0.000 0.635 447 A CB -0.638 18.393 19.000 0.052 0.000 0.810 447 A HN 0.569 nan 8.150 nan 0.000 0.446 448 K N -1.852 118.540 120.400 -0.013 0.000 2.283 448 K HA -0.130 4.190 4.320 0.000 0.000 0.202 448 K C 1.085 177.513 176.600 -0.287 0.000 1.048 448 K CA 1.484 57.680 56.287 -0.152 0.000 0.948 448 K CB -0.433 31.930 32.500 -0.228 0.000 0.742 448 K HN 0.466 nan 8.250 nan 0.000 0.458 449 Y N 1.250 121.573 120.300 0.039 0.000 2.490 449 Y HA 0.200 4.750 4.550 0.000 0.000 0.281 449 Y C -0.104 175.829 175.900 0.055 0.000 1.174 449 Y CA -0.191 57.934 58.100 0.040 0.000 1.295 449 Y CB 0.339 38.814 38.460 0.025 0.000 1.062 449 Y HN -0.037 nan 8.280 nan 0.000 0.522 450 R N -0.336 120.244 120.500 0.133 0.000 3.146 450 R HA -0.149 4.191 4.340 0.000 0.000 0.250 450 R C -2.961 173.365 176.300 0.042 0.000 0.912 450 R CA 0.189 56.374 56.100 0.142 0.000 0.633 450 R CB -2.261 28.182 30.300 0.239 0.000 1.180 450 R HN 0.276 nan 8.270 nan 0.000 0.464 451 P HA 0.004 nan 4.420 nan 0.000 0.272 451 P C 0.967 177.944 177.300 -0.537 0.000 1.223 451 P CA -0.303 62.676 63.100 -0.201 0.000 0.784 451 P CB 0.585 32.227 31.700 -0.096 0.000 0.923 452 M N 0.670 119.848 119.600 -0.703 0.000 2.296 452 M HA -0.099 4.381 4.480 0.000 0.000 0.265 452 M C 0.999 177.083 176.300 -0.361 0.000 1.064 452 M CA 1.218 55.997 55.300 -0.868 0.000 1.109 452 M CB -0.035 32.270 32.600 -0.490 0.000 1.396 452 M HN 0.344 nan 8.290 nan 0.000 0.430 453 Q N 1.235 120.901 119.800 -0.224 0.000 2.306 453 Q HA 0.382 4.722 4.340 0.000 0.000 0.241 453 Q C -2.629 173.319 176.000 -0.087 0.000 0.948 453 Q CA -2.331 53.403 55.803 -0.114 0.000 0.886 453 Q CB -0.776 27.917 28.738 -0.076 0.000 1.227 453 Q HN 0.086 nan 8.270 nan 0.000 0.457 454 P HA 0.127 nan 4.420 nan 0.000 0.266 454 P C -0.634 176.651 177.300 -0.025 0.000 1.195 454 P CA 0.273 63.354 63.100 -0.031 0.000 0.768 454 P CB 0.372 32.058 31.700 -0.023 0.000 0.838 455 I N 3.249 123.810 120.570 -0.014 0.000 2.328 455 I HA 0.206 4.376 4.170 0.000 0.000 0.287 455 I C -0.121 175.996 176.117 0.000 0.000 1.012 455 I CA -0.792 60.507 61.300 -0.002 0.000 1.195 455 I CB 0.941 38.948 38.000 0.012 0.000 1.350 455 I HN 0.134 nan 8.210 nan 0.000 0.464 456 L N 7.563 128.785 121.223 -0.002 0.000 2.259 456 L HA 0.634 4.974 4.340 0.000 0.000 0.288 456 L C 0.247 177.119 176.870 0.004 0.000 1.051 456 L CA -0.194 54.644 54.840 -0.004 0.000 0.824 456 L CB 0.667 42.720 42.059 -0.011 0.000 1.206 456 L HN 0.646 nan 8.230 nan 0.000 0.429 457 A N 6.472 129.298 122.820 0.010 0.000 2.328 457 A HA 0.679 4.999 4.320 0.000 0.000 0.284 457 A C -0.773 176.816 177.584 0.008 0.000 1.160 457 A CA -0.426 51.621 52.037 0.018 0.000 0.818 457 A CB 0.151 19.169 19.000 0.029 0.000 1.087 457 A HN 0.730 nan 8.150 nan 0.000 0.504 458 L N 2.328 123.555 121.223 0.007 0.000 2.325 458 L HA 0.658 4.998 4.340 0.000 0.000 0.281 458 L C 0.174 177.044 176.870 -0.001 0.000 1.004 458 L CA -0.213 54.624 54.840 -0.005 0.000 0.823 458 L CB 1.826 43.877 42.059 -0.013 0.000 1.236 458 L HN 0.638 nan 8.230 nan 0.000 0.415 459 S N 1.024 116.716 115.700 -0.014 0.000 2.536 459 S HA 0.661 5.131 4.470 0.000 0.000 0.271 459 S C 0.443 175.014 174.600 -0.048 0.000 1.134 459 S CA 0.070 58.261 58.200 -0.016 0.000 0.897 459 S CB 1.977 65.175 63.200 -0.004 0.000 1.094 459 S HN 0.659 nan 8.310 nan 0.000 0.473 460 A N 2.389 125.174 122.820 -0.058 0.000 2.169 460 A HA 0.292 4.612 4.320 0.000 0.000 0.212 460 A C 1.118 178.655 177.584 -0.078 0.000 1.153 460 A CA 0.614 52.594 52.037 -0.095 0.000 0.756 460 A CB -0.288 18.645 19.000 -0.111 0.000 0.813 460 A HN 0.790 nan 8.150 nan 0.000 0.471 461 S N 0.100 115.766 115.700 -0.057 0.000 2.411 461 S HA 0.196 4.666 4.470 0.000 0.000 0.294 461 S C 0.930 175.481 174.600 -0.081 0.000 1.115 461 S CA -0.078 58.084 58.200 -0.062 0.000 1.071 461 S CB 0.627 63.803 63.200 -0.040 0.000 0.967 461 S HN 0.551 nan 8.310 nan 0.000 0.488 462 E N 4.024 124.167 120.200 -0.095 0.000 2.085 462 E HA -0.173 4.177 4.350 0.000 0.000 0.194 462 E C 1.789 178.300 176.600 -0.149 0.000 0.994 462 E CA 1.854 58.191 56.400 -0.105 0.000 0.801 462 E CB -0.235 29.405 29.700 -0.100 0.000 0.743 462 E HN 0.811 nan 8.360 nan 0.000 0.453 463 S N -0.726 114.856 115.700 -0.197 0.000 2.387 463 S HA -0.088 4.382 4.470 0.000 0.000 0.226 463 S C 2.109 176.366 174.600 -0.571 0.000 1.026 463 S CA 1.301 59.279 58.200 -0.369 0.000 0.972 463 S CB -0.505 62.506 63.200 -0.314 0.000 0.814 463 S HN 0.224 nan 8.310 nan 0.000 0.477 464 T N 2.742 117.132 114.554 -0.274 0.000 2.720 464 T HA 0.043 4.393 4.350 0.000 0.000 0.268 464 T C 1.640 176.302 174.700 -0.062 0.000 1.037 464 T CA 1.679 63.721 62.100 -0.097 0.000 1.144 464 T CB -0.545 68.324 68.868 0.003 0.000 0.864 464 T HN 0.412 nan 8.240 nan 0.000 0.444 465 I N 0.599 121.124 120.570 -0.076 0.000 2.208 465 I HA -0.198 3.972 4.170 0.000 0.000 0.245 465 I C 2.551 178.656 176.117 -0.021 0.000 1.097 465 I CA 1.198 62.477 61.300 -0.034 0.000 1.363 465 I CB -0.197 37.778 38.000 -0.041 0.000 1.051 465 I HN 0.084 nan 8.210 nan 0.000 0.413 466 K N 0.045 120.390 120.400 -0.092 0.000 2.026 466 K HA -0.177 4.143 4.320 0.000 0.000 0.208 466 K C 2.008 178.656 176.600 0.082 0.000 1.048 466 K CA 1.757 58.018 56.287 -0.043 0.000 0.929 466 K CB -0.866 31.557 32.500 -0.128 0.000 0.713 466 K HN 0.536 nan 8.250 nan 0.000 0.439 467 H N 0.176 119.256 119.070 0.017 0.000 2.422 467 H HA -0.080 4.476 4.556 0.000 0.000 0.298 467 H C 1.610 177.092 175.328 0.256 0.000 1.098 467 H CA 0.400 56.504 56.048 0.093 0.000 1.315 467 H CB 0.133 29.879 29.762 -0.027 0.000 1.382 467 H HN -0.072 nan 8.280 nan 0.000 0.523 468 L N 0.983 122.357 121.223 0.251 0.000 2.551 468 L HA -0.103 4.237 4.340 0.000 0.000 0.228 468 L C 1.652 178.615 176.870 0.155 0.000 1.153 468 L CA 1.081 56.027 54.840 0.176 0.000 0.851 468 L CB -0.508 41.616 42.059 0.108 0.000 0.959 468 L HN 0.301 nan 8.230 nan 0.000 0.451 469 Q N -1.377 118.535 119.800 0.187 0.000 2.500 469 Q HA -0.001 4.339 4.340 0.000 0.000 0.213 469 Q C 1.931 178.000 176.000 0.115 0.000 0.974 469 Q CA 0.566 56.456 55.803 0.145 0.000 0.918 469 Q CB -0.035 28.801 28.738 0.164 0.000 0.980 469 Q HN 0.294 nan 8.270 nan 0.000 0.505 470 V N 0.060 120.047 119.914 0.122 0.000 3.528 470 V HA 0.085 4.205 4.120 0.000 0.000 0.294 470 V C 0.100 176.219 176.094 0.042 0.000 1.404 470 V CA 0.085 62.400 62.300 0.025 0.000 1.065 470 V CB 0.546 32.295 31.823 -0.124 0.000 0.904 470 V HN 0.081 nan 8.190 nan 0.000 0.435 471 I N 1.734 122.349 120.570 0.075 0.000 2.304 471 I HA 0.335 4.506 4.170 0.000 0.000 0.291 471 I C 0.694 176.846 176.117 0.059 0.000 1.018 471 I CA -0.124 61.215 61.300 0.065 0.000 1.260 471 I CB 0.803 38.848 38.000 0.076 0.000 1.390 471 I HN 0.169 nan 8.210 nan 0.000 0.475 472 R N 4.178 124.712 120.500 0.056 0.000 2.522 472 R HA 0.218 4.558 4.340 0.000 0.000 0.284 472 R C 1.063 177.400 176.300 0.061 0.000 1.032 472 R CA 1.225 57.364 56.100 0.066 0.000 1.049 472 R CB 0.333 30.677 30.300 0.072 0.000 0.956 472 R HN 0.976 nan 8.270 nan 0.000 0.422 473 G N 2.364 111.197 108.800 0.056 0.000 2.176 473 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 473 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 473 G C -0.180 174.733 174.900 0.022 0.000 0.979 473 G CA 0.140 45.264 45.100 0.040 0.000 0.641 473 G HN 0.521 nan 8.290 nan 0.000 0.530 474 V N 2.242 122.172 119.914 0.027 0.000 2.439 474 V HA 0.704 4.824 4.120 0.000 0.000 0.282 474 V C 0.810 176.911 176.094 0.012 0.000 1.039 474 V CA 0.302 62.616 62.300 0.024 0.000 0.913 474 V CB 1.468 33.316 31.823 0.041 0.000 0.983 474 V HN 0.676 nan 8.190 nan 0.000 0.460 475 T N 0.819 115.374 114.554 0.002 0.000 2.950 475 T HA 0.638 4.988 4.350 0.000 0.000 0.288 475 T C -0.316 174.385 174.700 0.002 0.000 1.035 475 T CA -0.725 61.372 62.100 -0.005 0.000 1.028 475 T CB 1.957 70.811 68.868 -0.022 0.000 1.109 475 T HN 0.535 nan 8.240 nan 0.000 0.514 476 T N 1.584 116.138 114.554 0.001 0.000 2.861 476 T HA 0.659 5.009 4.350 0.000 0.000 0.287 476 T C -1.257 173.439 174.700 -0.007 0.000 1.003 476 T CA -0.754 61.348 62.100 0.003 0.000 0.977 476 T CB 1.025 69.901 68.868 0.013 0.000 0.996 476 T HN 0.766 nan 8.240 nan 0.000 0.448 477 M N 4.175 123.769 119.600 -0.011 0.000 2.213 477 M HA 0.436 4.916 4.480 0.000 0.000 0.286 477 M C -0.854 175.431 176.300 -0.026 0.000 1.008 477 M CA -0.701 54.588 55.300 -0.019 0.000 0.937 477 M CB 1.963 34.551 32.600 -0.019 0.000 1.600 477 M HN 0.633 nan 8.290 nan 0.000 0.450 478 Q N 3.071 122.851 119.800 -0.033 0.000 2.314 478 Q HA 0.578 4.918 4.340 0.000 0.000 0.258 478 Q C -1.874 174.089 176.000 -0.061 0.000 0.954 478 Q CA -0.260 55.514 55.803 -0.049 0.000 0.890 478 Q CB 1.309 30.015 28.738 -0.053 0.000 1.210 478 Q HN 0.687 nan 8.270 nan 0.000 0.410 479 V N 5.543 125.405 119.914 -0.088 0.000 2.962 479 V HA 0.509 4.629 4.120 0.000 0.000 0.313 479 V C -2.248 173.701 176.094 -0.243 0.000 1.099 479 V CA -2.083 60.143 62.300 -0.124 0.000 0.971 479 V CB 2.186 33.961 31.823 -0.080 0.000 1.028 479 V HN 0.896 nan 8.190 nan 0.000 0.430 480 P HA 0.155 nan 4.420 nan 0.000 0.271 480 P C -0.541 176.266 177.300 -0.822 0.000 1.244 480 P CA -0.112 62.605 63.100 -0.638 0.000 0.793 480 P CB 0.334 31.539 31.700 -0.824 0.000 0.984 481 S N 0.966 116.325 115.700 -0.568 0.000 4.120 481 S HA 0.340 4.810 4.470 0.000 0.000 0.196 481 S C -0.235 174.236 174.600 -0.214 0.000 1.447 481 S CA -0.264 57.742 58.200 -0.323 0.000 0.939 481 S CB -1.456 61.649 63.200 -0.159 0.000 1.496 481 S HN 0.295 nan 8.310 nan 0.000 0.460 485 T N -3.271 111.287 114.554 0.007 0.000 3.023 485 T HA 0.205 4.555 4.350 0.000 0.000 0.249 485 T C 1.790 176.457 174.700 -0.056 0.000 1.050 485 T CA 2.069 64.132 62.100 -0.061 0.000 1.088 485 T CB -0.157 68.597 68.868 -0.191 0.000 0.946 485 T HN 0.791 nan 8.240 nan 0.000 0.480 486 D N 0.439 120.825 120.400 -0.023 0.000 2.264 486 D HA -0.121 4.519 4.640 0.000 0.000 0.208 486 D C 1.898 178.195 176.300 -0.006 0.000 0.966 486 D CA 1.137 55.127 54.000 -0.017 0.000 0.864 486 D CB -1.110 39.685 40.800 -0.008 0.000 0.933 486 D HN 0.788 nan 8.370 nan 0.000 0.499 487 H N -0.405 118.584 119.070 -0.136 0.000 2.333 487 H HA 0.029 4.585 4.556 0.000 0.000 0.302 487 H C 2.640 177.881 175.328 -0.144 0.000 1.075 487 H CA 1.592 57.521 56.048 -0.200 0.000 1.348 487 H CB 0.105 29.633 29.762 -0.389 0.000 1.393 487 H HN 0.288 nan 8.280 nan 0.000 0.509 488 V N 1.698 121.480 119.914 -0.220 0.000 2.490 488 V HA -0.201 3.919 4.120 0.000 0.000 0.250 488 V C 2.620 178.647 176.094 -0.112 0.000 1.061 488 V CA 2.082 64.305 62.300 -0.130 0.000 1.064 488 V CB -0.656 31.194 31.823 0.046 0.000 0.670 488 V HN 0.317 nan 8.190 nan 0.000 0.461 489 I N -0.565 119.951 120.570 -0.090 0.000 2.252 489 I HA -0.228 3.942 4.170 0.000 0.000 0.245 489 I C 2.971 179.050 176.117 -0.065 0.000 1.102 489 I CA 1.421 62.682 61.300 -0.064 0.000 1.385 489 I CB -0.436 37.537 38.000 -0.046 0.000 1.064 489 I HN 0.316 nan 8.210 nan 0.000 0.414 490 R N 0.640 121.094 120.500 -0.076 0.000 2.081 490 R HA -0.129 4.211 4.340 0.000 0.000 0.235 490 R C 1.888 178.145 176.300 -0.073 0.000 1.131 490 R CA 1.835 57.899 56.100 -0.059 0.000 0.960 490 R CB -1.529 28.751 30.300 -0.033 0.000 0.856 490 R HN 0.616 nan 8.270 nan 0.000 0.436 491 N N 0.141 118.764 118.700 -0.128 0.000 2.331 491 N HA -0.005 4.735 4.740 0.000 0.000 0.180 491 N C 1.730 177.204 175.510 -0.061 0.000 1.019 491 N CA 0.966 53.954 53.050 -0.104 0.000 0.881 491 N CB -0.139 38.254 38.487 -0.157 0.000 0.972 491 N HN 0.408 nan 8.380 nan 0.000 0.435 492 A N 0.720 123.505 122.820 -0.058 0.000 2.021 492 A HA 0.148 4.468 4.320 0.000 0.000 0.216 492 A C 2.402 179.967 177.584 -0.032 0.000 1.163 492 A CA 1.062 53.076 52.037 -0.039 0.000 0.676 492 A CB -0.804 18.174 19.000 -0.036 0.000 0.818 492 A HN 0.259 nan 8.150 nan 0.000 0.453 493 I N -0.870 119.680 120.570 -0.033 0.000 2.617 493 I HA 0.357 4.527 4.170 0.000 0.000 0.256 493 I C 2.281 178.384 176.117 -0.022 0.000 1.167 493 I CA 1.691 62.976 61.300 -0.025 0.000 1.469 493 I CB -1.537 36.449 38.000 -0.023 0.000 1.098 493 I HN 0.404 nan 8.210 nan 0.000 0.436 494 V N -0.854 119.045 119.914 -0.025 0.000 3.623 494 V HA 0.248 4.368 4.120 0.000 0.000 0.271 494 V C 2.057 178.140 176.094 -0.018 0.000 1.248 494 V CA 1.863 64.152 62.300 -0.019 0.000 1.156 494 V CB -0.048 31.764 31.823 -0.018 0.000 0.870 494 V HN 0.386 nan 8.190 nan 0.000 0.453 495 V N -0.802 119.100 119.914 -0.020 0.000 3.219 495 V HA 0.200 4.320 4.120 0.000 0.000 0.240 495 V C 2.685 178.767 176.094 -0.020 0.000 1.222 495 V CA 1.267 63.556 62.300 -0.019 0.000 1.181 495 V CB 0.395 32.206 31.823 -0.020 0.000 0.941 495 V HN 0.543 nan 8.190 nan 0.000 0.471 496 A N 0.321 123.129 122.820 -0.021 0.000 1.940 496 A HA -0.236 4.084 4.320 0.000 0.000 0.219 496 A C 2.180 179.753 177.584 -0.019 0.000 1.176 496 A CA 2.048 54.073 52.037 -0.021 0.000 0.631 496 A CB -0.436 18.552 19.000 -0.020 0.000 0.814 496 A HN 0.476 nan 8.150 nan 0.000 0.446 497 K N -0.638 119.751 120.400 -0.017 0.000 2.059 497 K HA -0.235 4.085 4.320 0.000 0.000 0.212 497 K C 2.385 178.976 176.600 -0.015 0.000 1.050 497 K CA 2.143 58.421 56.287 -0.015 0.000 0.927 497 K CB -0.353 32.139 32.500 -0.013 0.000 0.714 497 K HN 0.687 nan 8.250 nan 0.000 0.447 498 E N 1.126 121.317 120.200 -0.016 0.000 1.998 498 E HA -0.138 4.212 4.350 0.000 0.000 0.196 498 E C 1.651 178.240 176.600 -0.020 0.000 1.003 498 E CA 1.548 57.938 56.400 -0.016 0.000 0.829 498 E CB -1.051 28.640 29.700 -0.015 0.000 0.777 498 E HN 0.504 nan 8.360 nan 0.000 0.460 502 V N -0.056 119.849 119.914 -0.015 0.000 2.881 502 V HA 0.940 5.060 4.120 0.000 0.000 0.316 502 V C -0.097 175.990 176.094 -0.012 0.000 1.070 502 V CA 0.036 62.328 62.300 -0.013 0.000 0.976 502 V CB 1.236 33.050 31.823 -0.014 0.000 1.038 502 V HN 1.779 nan 8.190 nan 0.000 0.446 503 T N -0.406 114.142 114.554 -0.010 0.000 2.876 503 T HA 0.573 4.923 4.350 0.000 0.000 0.289 503 T C -0.444 174.252 174.700 -0.008 0.000 1.014 503 T CA -0.669 61.425 62.100 -0.009 0.000 0.986 503 T CB 1.310 70.174 68.868 -0.007 0.000 1.021 503 T HN 0.900 nan 8.240 nan 0.000 0.458 504 E N 0.966 121.161 120.200 -0.008 0.000 2.966 504 E HA 0.257 4.607 4.350 0.000 0.000 0.254 504 E C 1.372 177.968 176.600 -0.006 0.000 0.923 504 E CA 1.268 57.664 56.400 -0.007 0.000 0.960 504 E CB -0.406 29.290 29.700 -0.006 0.000 0.901 504 E HN 1.170 nan 8.360 nan 0.000 0.525 505 G N 2.667 111.463 108.800 -0.006 0.000 2.259 505 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 505 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 505 G C 0.079 174.975 174.900 -0.006 0.000 1.001 505 G CA -0.254 44.843 45.100 -0.005 0.000 0.627 505 G HN 0.524 nan 8.290 nan 0.000 0.501 506 E N 1.022 121.218 120.200 -0.007 0.000 2.373 506 E HA 0.493 4.843 4.350 0.000 0.000 0.263 506 E C -0.144 176.451 176.600 -0.008 0.000 1.073 506 E CA 0.080 56.476 56.400 -0.007 0.000 0.894 506 E CB 0.981 30.677 29.700 -0.008 0.000 1.008 506 E HN 0.201 nan 8.360 nan 0.000 0.420 507 S N 0.941 116.636 115.700 -0.009 0.000 2.562 507 S HA 0.345 4.815 4.470 0.000 0.000 0.275 507 S C -0.162 174.431 174.600 -0.012 0.000 1.281 507 S CA -0.583 57.611 58.200 -0.010 0.000 1.045 507 S CB 0.745 63.940 63.200 -0.009 0.000 0.962 507 S HN 0.242 nan 8.310 nan 0.000 0.503 508 I N 2.679 123.242 120.570 -0.011 0.000 2.509 508 I HA 0.466 4.636 4.170 0.000 0.000 0.293 508 I C -0.392 175.718 176.117 -0.010 0.000 1.020 508 I CA -0.788 60.504 61.300 -0.012 0.000 1.088 508 I CB 1.664 39.657 38.000 -0.013 0.000 1.267 508 I HN 0.531 nan 8.210 nan 0.000 0.430 509 V N 4.235 124.143 119.914 -0.011 0.000 2.370 509 V HA 0.814 4.934 4.120 0.000 0.000 0.283 509 V C 0.476 176.569 176.094 -0.002 0.000 1.023 509 V CA -0.434 61.862 62.300 -0.007 0.000 0.857 509 V CB 1.386 33.203 31.823 -0.010 0.000 0.985 509 V HN 1.014 nan 8.190 nan 0.000 0.443 510 A N 4.959 127.781 122.820 0.002 0.000 2.324 510 A HA 0.933 5.253 4.320 0.000 0.000 0.330 510 A C -0.781 176.819 177.584 0.027 0.000 1.165 510 A CA -0.553 51.490 52.037 0.009 0.000 0.813 510 A CB 1.605 20.606 19.000 0.002 0.000 1.197 510 A HN 0.710 nan 8.150 nan 0.000 0.484 511 V N 2.207 122.148 119.914 0.045 0.000 2.789 511 V HA 0.515 4.635 4.120 0.000 0.000 0.311 511 V C -0.504 175.678 176.094 0.146 0.000 1.073 511 V CA -0.502 61.842 62.300 0.073 0.000 0.921 511 V CB 1.791 33.646 31.823 0.054 0.000 1.009 511 V HN 1.022 nan 8.190 nan 0.000 0.426 512 H N 1.192 120.270 119.070 0.014 0.000 2.865 512 H HA 0.696 5.252 4.556 0.000 0.000 0.362 512 H C -0.272 175.067 175.328 0.018 0.000 1.114 512 H CA -0.113 55.946 56.048 0.018 0.000 1.208 512 H CB 2.557 32.331 29.762 0.020 0.000 1.727 512 H HN 0.885 nan 8.280 nan 0.000 0.534 513 G N 0.897 109.536 108.800 -0.268 0.000 3.107 513 G HA2 0.533 4.493 3.960 0.000 0.000 0.232 513 G HA3 0.533 4.493 3.960 0.000 0.000 0.232 513 G C -0.288 174.379 174.900 -0.387 0.000 1.339 513 G CA 0.058 45.005 45.100 -0.255 0.000 1.033 513 G HN 0.692 nan 8.290 nan 0.000 0.567 514 M N 0.797 120.284 119.600 -0.188 0.000 3.859 514 M HA 0.425 4.905 4.480 0.000 0.000 0.494 514 M C 0.236 176.499 176.300 -0.062 0.000 1.804 514 M CA -0.566 54.654 55.300 -0.135 0.000 0.670 514 M CB -0.390 32.143 32.600 -0.112 0.000 1.466 514 M HN 0.651 nan 8.290 nan 0.000 0.548 522 S N 1.882 117.559 115.700 -0.038 0.000 2.632 522 S HA 0.854 5.324 4.470 0.000 0.000 0.271 522 S C -0.210 174.356 174.600 -0.057 0.000 1.260 522 S CA -0.336 57.842 58.200 -0.036 0.000 1.010 522 S CB 0.678 63.863 63.200 -0.026 0.000 0.965 522 S HN 0.714 nan 8.310 nan 0.000 0.534 523 N N 0.012 118.688 118.700 -0.039 0.000 2.229 523 N HA 0.725 5.465 4.740 0.000 0.000 0.298 523 N C -1.654 173.850 175.510 -0.011 0.000 1.114 523 N CA -0.629 52.398 53.050 -0.039 0.000 0.776 523 N CB 1.485 39.958 38.487 -0.025 0.000 1.501 523 N HN 0.524 nan 8.380 nan 0.000 0.474 524 L N 0.711 121.941 121.223 0.011 0.000 2.333 524 L HA 0.689 5.029 4.340 0.000 0.000 0.263 524 L C -1.149 175.746 176.870 0.042 0.000 1.014 524 L CA -0.783 54.079 54.840 0.036 0.000 0.820 524 L CB 2.010 44.111 42.059 0.069 0.000 1.352 524 L HN 0.432 nan 8.230 nan 0.000 0.421 525 L N 1.373 122.614 121.223 0.030 0.000 2.528 525 L HA 0.525 4.865 4.340 0.000 0.000 0.267 525 L C -1.497 175.383 176.870 0.016 0.000 0.961 525 L CA -0.413 54.440 54.840 0.022 0.000 0.866 525 L CB 1.390 43.453 42.059 0.006 0.000 1.248 525 L HN 0.570 nan 8.230 nan 0.000 0.404 526 K N 4.075 124.485 120.400 0.016 0.000 2.221 526 K HA 0.598 4.918 4.320 0.000 0.000 0.258 526 K C -1.269 175.333 176.600 0.002 0.000 0.944 526 K CA -0.742 55.550 56.287 0.009 0.000 0.823 526 K CB 2.690 35.196 32.500 0.009 0.000 1.113 526 K HN 0.402 nan 8.250 nan 0.000 0.431 527 V N 4.308 124.221 119.914 -0.001 0.000 2.347 527 V HA 0.320 4.440 4.120 0.000 0.000 0.280 527 V C -0.024 176.067 176.094 -0.005 0.000 1.021 527 V CA -0.873 61.424 62.300 -0.005 0.000 0.847 527 V CB 0.887 32.706 31.823 -0.006 0.000 0.990 527 V HN 0.519 nan 8.190 nan 0.000 0.444 528 L N 1.831 123.050 121.223 -0.006 0.000 2.301 528 L HA 0.929 5.269 4.340 0.000 0.000 0.264 528 L C -0.079 176.786 176.870 -0.008 0.000 1.016 528 L CA -0.580 54.256 54.840 -0.007 0.000 0.821 528 L CB 1.351 43.405 42.059 -0.008 0.000 1.346 528 L HN 0.687 nan 8.230 nan 0.000 0.429 529 T N 0.138 114.687 114.554 -0.008 0.000 2.772 529 T HA 0.571 4.921 4.350 0.000 0.000 0.288 529 T C -0.161 174.533 174.700 -0.008 0.000 0.994 529 T CA -0.288 61.807 62.100 -0.008 0.000 0.951 529 T CB 0.729 69.593 68.868 -0.007 0.000 0.933 529 T HN 0.930 nan 8.240 nan 0.000 0.447 530 V N 5.173 125.082 119.914 -0.009 0.000 2.752 530 V HA 0.048 4.168 4.120 0.000 0.000 0.306 530 V C 1.246 177.335 176.094 -0.009 0.000 1.099 530 V CA -0.022 62.272 62.300 -0.010 0.000 1.240 530 V CB -0.055 31.762 31.823 -0.011 0.000 0.887 530 V HN 0.895 nan 8.190 nan 0.000 0.499 531 E N 0.000 120.194 120.200 -0.009 0.000 2.725 531 E HA 0.000 4.350 4.350 0.000 0.000 0.291 531 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 531 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 531 E HN 0.000 nan 8.360 nan 0.000 0.440