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 1e9r_1_E DATA FIRST_RESID 75 DATA SEQUENCE GQGEFGGAPF KRFLRGTRIV SGGKLKRMTR EKAKQVTVAG VPMPRDAEPR DATA SEQUENCE HLLVNGATGT GKSVLLRELA YTGLLRGDRM VIVDPNGDML SKFGRDKDII DATA SEQUENCE LNPYDQRTKG WSFFNEIRND YDWQRYALSV VPRGKTDEAE EWASYGRLLL DATA SEQUENCE RETAKKLALI GTPSMRELFH WTTIATFDDL RGFLEGTLAE SLFAGSNEAS DATA SEQUENCE KALTSARFVL SDKLPEHVTM PDGDFSIRSW LEDPNGGNLF ITWREDMGPA DATA SEQUENCE LRPLISAWVD VVCTSILSLP EEPKRRLWLF IDELASLEKL ASLADALTKG DATA SEQUENCE RKAGLRVVAG LQSTSQLDDV YGVKEAQTLR ASFRSLVVLG GSRTDPKTNE DATA SEQUENCE DMSLSLGEHE VERDRXXXXX XXXXXXXXAL ERVRERVVMP AEIANLPDLT DATA SEQUENCE AYVGFAGNRP IAKVPLEIKQ FANRQPAFVE GT 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 75 G HA2 0.000 nan 3.960 nan 0.000 0.244 75 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 75 G C 0.000 174.687 174.900 -0.354 0.000 0.946 75 G CA 0.000 44.371 45.100 -1.215 0.000 0.502 76 Q N 0.327 120.074 119.800 -0.087 0.000 2.199 76 Q HA 0.553 4.893 4.340 -0.000 0.000 0.205 76 Q C 1.566 177.627 176.000 0.101 0.000 1.001 76 Q CA -0.479 55.328 55.803 0.008 0.000 1.019 76 Q CB 1.324 30.064 28.738 0.004 0.000 1.132 76 Q HN 0.615 nan 8.270 nan 0.000 0.530 77 G N 0.369 109.210 108.800 0.067 0.000 2.959 77 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.203 77 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.203 77 G C 0.576 175.530 174.900 0.091 0.000 1.176 77 G CA 0.328 45.470 45.100 0.070 0.000 0.860 77 G HN 0.349 nan 8.290 nan 0.000 0.507 78 E N -0.541 119.745 120.200 0.143 0.000 2.251 78 E HA 0.090 4.440 4.350 -0.000 0.000 0.194 78 E C 0.140 176.899 176.600 0.266 0.000 0.964 78 E CA -0.412 56.088 56.400 0.166 0.000 0.868 78 E CB 0.132 29.925 29.700 0.154 0.000 0.828 78 E HN 0.364 nan 8.360 nan 0.000 0.481 79 F N 1.346 121.399 119.950 0.172 0.000 2.411 79 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 79 F C 1.380 177.284 175.800 0.173 0.000 1.117 79 F CA -0.709 57.424 58.000 0.222 0.000 1.139 79 F CB 1.351 40.583 39.000 0.386 0.000 1.120 79 F HN -0.055 nan 8.300 nan 0.000 0.493 80 G N 4.320 112.875 108.800 -0.407 0.000 2.509 80 G HA2 0.079 4.039 3.960 -0.000 0.000 0.218 80 G HA3 0.079 4.039 3.960 -0.000 0.000 0.218 80 G C 0.839 175.371 174.900 -0.613 0.000 1.124 80 G CA 0.454 45.318 45.100 -0.395 0.000 0.776 80 G HN 0.960 nan 8.290 nan 0.000 0.547 81 G N -0.232 107.698 108.800 -1.449 0.000 2.509 81 G HA2 0.513 4.473 3.960 -0.000 0.000 0.269 81 G HA3 0.513 4.473 3.960 -0.000 0.000 0.269 81 G C 0.214 174.996 174.900 -0.198 0.000 1.416 81 G CA 0.030 44.641 45.100 -0.815 0.000 1.052 81 G HN 0.521 nan 8.290 nan 0.000 0.542 82 A N 0.255 123.175 122.820 0.166 0.000 2.450 82 A HA 0.567 4.887 4.320 -0.000 0.000 0.255 82 A C -2.064 175.802 177.584 0.471 0.000 1.096 82 A CA -0.766 51.423 52.037 0.254 0.000 0.778 82 A CB -0.103 19.026 19.000 0.216 0.000 1.031 82 A HN 0.386 nan 8.150 nan 0.000 0.494 83 P HA 0.348 nan 4.420 nan 0.000 0.268 83 P C -0.707 176.794 177.300 0.335 0.000 1.208 83 P CA 0.359 63.635 63.100 0.293 0.000 0.777 83 P CB 0.264 32.027 31.700 0.104 0.000 0.875 84 F N -0.590 119.430 119.950 0.116 0.000 2.620 84 F HA 0.624 5.151 4.527 -0.000 0.000 0.320 84 F C 1.211 177.030 175.800 0.031 0.000 1.069 84 F CA -1.333 56.699 58.000 0.053 0.000 0.953 84 F CB 1.121 40.119 39.000 -0.004 0.000 1.322 84 F HN 0.160 nan 8.300 nan 0.000 0.479 85 K N 0.545 121.040 120.400 0.159 0.000 2.021 85 K HA 0.135 4.455 4.320 -0.000 0.000 0.205 85 K C 0.212 176.871 176.600 0.098 0.000 1.047 85 K CA 0.818 57.144 56.287 0.065 0.000 0.943 85 K CB 0.177 32.718 32.500 0.068 0.000 0.725 85 K HN 0.793 nan 8.250 nan 0.000 0.439 86 R N -0.160 120.479 120.500 0.231 0.000 2.673 86 R HA 0.194 4.534 4.340 -0.000 0.000 0.281 86 R C -1.805 174.683 176.300 0.314 0.000 0.991 86 R CA -0.732 55.507 56.100 0.231 0.000 0.896 86 R CB 1.111 31.474 30.300 0.105 0.000 1.201 86 R HN 0.057 nan 8.270 nan 0.000 0.457 87 F N 5.459 125.521 119.950 0.187 0.000 2.411 87 F HA 0.308 4.835 4.527 -0.000 0.000 0.350 87 F C -0.164 175.614 175.800 -0.037 0.000 1.114 87 F CA -0.437 57.586 58.000 0.038 0.000 1.135 87 F CB 0.876 39.949 39.000 0.122 0.000 1.120 87 F HN 0.532 nan 8.300 nan 0.000 0.495 88 L N 4.450 125.189 121.223 -0.808 0.000 2.296 88 L HA 0.323 4.663 4.340 -0.000 0.000 0.193 88 L C 0.182 176.702 176.870 -0.584 0.000 1.123 88 L CA 0.136 54.675 54.840 -0.502 0.000 0.805 88 L CB -0.099 41.740 42.059 -0.366 0.000 1.004 88 L HN 0.566 nan 8.230 nan 0.000 0.478 89 R N -1.595 118.399 120.500 -0.843 0.000 2.795 89 R HA 0.732 5.072 4.340 -0.000 0.000 0.268 89 R C -0.403 175.714 176.300 -0.304 0.000 1.041 89 R CA -0.320 55.545 56.100 -0.391 0.000 0.927 89 R CB 0.737 30.939 30.300 -0.164 0.000 1.235 89 R HN 0.192 nan 8.270 nan 0.000 0.463 90 G N -0.154 108.697 108.800 0.086 0.000 2.482 90 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 90 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 90 G C -0.991 174.118 174.900 0.349 0.000 1.271 90 G CA -0.411 44.789 45.100 0.167 0.000 0.944 90 G HN 0.674 nan 8.290 nan 0.000 0.568 91 T N 1.991 116.704 114.554 0.265 0.000 2.794 91 T HA 0.555 4.905 4.350 -0.000 0.000 0.296 91 T C 0.752 175.596 174.700 0.240 0.000 0.949 91 T CA 0.093 62.311 62.100 0.196 0.000 1.101 91 T CB 0.577 69.501 68.868 0.094 0.000 0.905 91 T HN 0.597 nan 8.240 nan 0.000 0.516 92 R N 2.402 122.922 120.500 0.034 0.000 2.368 92 R HA 0.625 4.965 4.340 -0.000 0.000 0.302 92 R C -0.365 175.939 176.300 0.008 0.000 1.002 92 R CA -0.651 55.355 56.100 -0.156 0.000 0.929 92 R CB 1.424 31.484 30.300 -0.400 0.000 1.073 92 R HN 0.578 nan 8.270 nan 0.000 0.464 93 I N 2.418 123.034 120.570 0.077 0.000 2.493 93 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 93 I C -1.074 175.111 176.117 0.114 0.000 0.998 93 I CA -0.859 60.526 61.300 0.141 0.000 1.137 93 I CB 1.612 39.762 38.000 0.250 0.000 1.310 93 I HN 0.296 nan 8.210 nan 0.000 0.445 94 V N 5.372 125.347 119.914 0.102 0.000 3.102 94 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 94 V C -0.219 175.922 176.094 0.078 0.000 1.135 94 V CA -0.423 61.921 62.300 0.074 0.000 1.022 94 V CB 2.787 34.638 31.823 0.046 0.000 1.056 94 V HN 0.902 nan 8.190 nan 0.000 0.436 95 S N 1.664 117.399 115.700 0.059 0.000 2.593 95 S HA 0.285 4.754 4.470 -0.000 0.000 0.269 95 S C 1.360 175.985 174.600 0.041 0.000 1.334 95 S CA 0.217 58.446 58.200 0.047 0.000 1.015 95 S CB 1.197 64.419 63.200 0.036 0.000 0.912 95 S HN 1.297 nan 8.310 nan 0.000 0.541 96 G N 1.300 110.117 108.800 0.028 0.000 2.446 96 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 96 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 96 G C 1.359 176.283 174.900 0.040 0.000 1.168 96 G CA 0.655 45.773 45.100 0.029 0.000 0.771 96 G HN 1.007 nan 8.290 nan 0.000 0.551 97 G N 0.817 109.635 108.800 0.031 0.000 2.446 97 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 97 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 97 G C 1.771 176.691 174.900 0.034 0.000 1.168 97 G CA 1.513 46.631 45.100 0.030 0.000 0.771 97 G HN 0.531 nan 8.290 nan 0.000 0.551 98 K N 0.084 120.504 120.400 0.033 0.000 2.063 98 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 98 K C 2.305 178.931 176.600 0.044 0.000 1.048 98 K CA 1.150 57.456 56.287 0.032 0.000 0.928 98 K CB -0.640 31.877 32.500 0.029 0.000 0.713 98 K HN 0.257 nan 8.250 nan 0.000 0.442 99 L N 1.163 122.422 121.223 0.061 0.000 2.017 99 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 99 L C 1.678 178.606 176.870 0.097 0.000 1.073 99 L CA 1.858 56.753 54.840 0.092 0.000 0.745 99 L CB -0.455 41.675 42.059 0.119 0.000 0.894 99 L HN 0.145 nan 8.230 nan 0.000 0.432 100 K N -0.849 119.602 120.400 0.084 0.000 2.103 100 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 100 K C 2.297 178.924 176.600 0.046 0.000 1.048 100 K CA 1.589 57.920 56.287 0.073 0.000 0.930 100 K CB -0.299 32.237 32.500 0.060 0.000 0.716 100 K HN 0.295 nan 8.250 nan 0.000 0.444 101 R N 0.908 121.430 120.500 0.038 0.000 2.075 101 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 101 R C 2.256 178.568 176.300 0.020 0.000 1.126 101 R CA 1.420 57.534 56.100 0.024 0.000 0.963 101 R CB -0.032 30.280 30.300 0.021 0.000 0.858 101 R HN 0.165 nan 8.270 nan 0.000 0.435 102 M N -0.480 119.137 119.600 0.028 0.000 2.200 102 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 102 M C 2.118 178.423 176.300 0.009 0.000 1.066 102 M CA 2.055 57.368 55.300 0.022 0.000 1.127 102 M CB -0.047 32.574 32.600 0.035 0.000 1.379 102 M HN 0.257 nan 8.290 nan 0.000 0.420 103 T N -2.065 112.495 114.554 0.011 0.000 3.067 103 T HA 0.049 4.399 4.350 -0.000 0.000 0.261 103 T C 0.960 175.629 174.700 -0.053 0.000 1.110 103 T CA -0.198 61.874 62.100 -0.047 0.000 1.113 103 T CB -0.235 68.581 68.868 -0.087 0.000 0.917 103 T HN 0.246 nan 8.240 nan 0.000 0.499 104 R N 1.795 122.284 120.500 -0.018 0.000 2.537 104 R HA 0.158 4.498 4.340 -0.000 0.000 0.281 104 R C 0.020 176.306 176.300 -0.024 0.000 0.988 104 R CA 0.338 56.429 56.100 -0.015 0.000 1.077 104 R CB 0.227 30.527 30.300 -0.001 0.000 0.932 104 R HN 0.579 nan 8.270 nan 0.000 0.409 105 E N 2.322 122.506 120.200 -0.027 0.000 2.392 105 E HA 0.170 4.520 4.350 -0.000 0.000 0.269 105 E C 0.146 176.735 176.600 -0.018 0.000 0.924 105 E CA -0.921 55.463 56.400 -0.027 0.000 0.784 105 E CB 1.033 30.710 29.700 -0.039 0.000 1.292 105 E HN 0.493 nan 8.360 nan 0.000 0.447 106 K N 0.548 120.938 120.400 -0.016 0.000 1.985 106 K HA -0.007 4.313 4.320 -0.000 0.000 0.210 106 K C 0.959 177.552 176.600 -0.011 0.000 1.047 106 K CA 1.183 57.463 56.287 -0.012 0.000 0.932 106 K CB -1.273 31.220 32.500 -0.011 0.000 0.716 106 K HN 0.446 nan 8.250 nan 0.000 0.439 107 A N 2.322 125.135 122.820 -0.013 0.000 2.455 107 A HA 0.039 4.359 4.320 -0.000 0.000 0.244 107 A C -0.142 177.437 177.584 -0.008 0.000 1.099 107 A CA -0.088 51.943 52.037 -0.010 0.000 0.786 107 A CB -0.098 18.896 19.000 -0.009 0.000 1.051 107 A HN 0.288 nan 8.150 nan 0.000 0.508 108 K N 0.814 121.212 120.400 -0.005 0.000 2.350 108 K HA 0.267 4.587 4.320 -0.000 0.000 0.279 108 K C -0.194 176.406 176.600 0.001 0.000 1.027 108 K CA 0.397 56.680 56.287 -0.007 0.000 0.969 108 K CB 0.455 32.949 32.500 -0.009 0.000 0.954 108 K HN 0.707 nan 8.250 nan 0.000 0.474 109 Q N 0.728 120.525 119.800 -0.005 0.000 2.458 109 Q HA 0.443 4.783 4.340 -0.000 0.000 0.282 109 Q C -0.700 175.299 176.000 -0.001 0.000 1.106 109 Q CA -1.145 54.661 55.803 0.006 0.000 0.814 109 Q CB 2.304 31.036 28.738 -0.009 0.000 1.425 109 Q HN 0.494 nan 8.270 nan 0.000 0.437 110 V N -1.930 117.996 119.914 0.020 0.000 2.973 110 V HA 0.808 4.928 4.120 -0.000 0.000 0.314 110 V C -0.103 176.012 176.094 0.035 0.000 1.066 110 V CA -0.572 61.719 62.300 -0.016 0.000 1.021 110 V CB 1.410 33.192 31.823 -0.068 0.000 1.076 110 V HN 0.924 nan 8.190 nan 0.000 0.462 111 T N -0.492 114.089 114.554 0.045 0.000 2.885 111 T HA 0.752 5.102 4.350 -0.000 0.000 0.285 111 T C -0.701 174.090 174.700 0.151 0.000 1.019 111 T CA -0.709 61.456 62.100 0.108 0.000 1.010 111 T CB 1.611 70.537 68.868 0.096 0.000 1.022 111 T HN 0.813 nan 8.240 nan 0.000 0.466 112 V N 2.395 122.439 119.914 0.215 0.000 2.304 112 V HA 0.642 4.762 4.120 -0.000 0.000 0.278 112 V C 0.785 176.963 176.094 0.139 0.000 1.018 112 V CA -0.194 62.227 62.300 0.202 0.000 0.814 112 V CB -0.009 31.981 31.823 0.278 0.000 1.021 112 V HN 1.599 nan 8.190 nan 0.000 0.440 113 A N 4.097 126.980 122.820 0.105 0.000 2.745 113 A HA 0.025 4.345 4.320 -0.000 0.000 0.296 113 A C 1.765 179.394 177.584 0.076 0.000 1.500 113 A CA 1.301 53.381 52.037 0.073 0.000 0.766 113 A CB -1.524 17.497 19.000 0.036 0.000 1.030 113 A HN 2.524 nan 8.150 nan 0.000 0.489 114 G N -3.677 105.179 108.800 0.094 0.000 2.205 114 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.261 114 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.261 114 G C 0.372 175.331 174.900 0.099 0.000 0.980 114 G CA 0.542 45.693 45.100 0.085 0.000 0.632 114 G HN 1.919 nan 8.290 nan 0.000 0.533 115 V N 3.110 123.108 119.914 0.140 0.000 2.370 115 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 115 V C -1.517 174.703 176.094 0.211 0.000 1.029 115 V CA -1.711 60.703 62.300 0.189 0.000 0.870 115 V CB 1.645 33.632 31.823 0.273 0.000 0.984 115 V HN 0.210 nan 8.190 nan 0.000 0.451 116 P HA 0.083 nan 4.420 nan 0.000 0.267 116 P C -0.430 176.822 177.300 -0.080 0.000 1.209 116 P CA -0.186 62.938 63.100 0.040 0.000 0.763 116 P CB 0.739 32.442 31.700 0.006 0.000 0.816 117 M N 6.203 125.736 119.600 -0.112 0.000 2.162 117 M HA 0.329 4.809 4.480 -0.000 0.000 0.356 117 M C -2.408 173.656 176.300 -0.393 0.000 1.303 117 M CA -2.174 52.867 55.300 -0.432 0.000 1.116 117 M CB 0.725 33.305 32.600 -0.034 0.000 1.632 117 M HN 0.080 nan 8.290 nan 0.000 0.469 118 P HA 0.008 nan 4.420 nan 0.000 0.261 118 P C -0.058 177.139 177.300 -0.172 0.000 1.183 118 P CA -0.019 62.896 63.100 -0.308 0.000 0.761 118 P CB 0.416 31.929 31.700 -0.312 0.000 0.785 119 R N 3.519 123.958 120.500 -0.102 0.000 2.119 119 R HA -0.176 4.164 4.340 -0.000 0.000 0.246 119 R C 1.339 177.599 176.300 -0.068 0.000 1.146 119 R CA 2.023 58.090 56.100 -0.055 0.000 0.962 119 R CB -0.925 29.351 30.300 -0.040 0.000 0.863 119 R HN 0.653 nan 8.270 nan 0.000 0.442 120 D N -0.466 119.887 120.400 -0.078 0.000 2.310 120 D HA -0.086 4.554 4.640 -0.000 0.000 0.212 120 D C 1.370 177.617 176.300 -0.088 0.000 0.965 120 D CA 0.940 54.893 54.000 -0.079 0.000 0.879 120 D CB -0.042 40.719 40.800 -0.064 0.000 0.921 120 D HN 0.181 nan 8.370 nan 0.000 0.510 121 A N 1.064 123.833 122.820 -0.085 0.000 2.021 121 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 121 A C 2.100 179.644 177.584 -0.066 0.000 1.163 121 A CA 0.442 52.447 52.037 -0.054 0.000 0.676 121 A CB -0.273 18.710 19.000 -0.028 0.000 0.818 121 A HN 0.102 nan 8.150 nan 0.000 0.453 122 E N 0.166 120.321 120.200 -0.075 0.000 2.049 122 E HA -0.167 4.182 4.350 -0.000 0.000 0.198 122 E C -0.817 175.579 176.600 -0.341 0.000 1.007 122 E CA 1.680 57.999 56.400 -0.136 0.000 0.809 122 E CB -0.763 28.860 29.700 -0.128 0.000 0.749 122 E HN 0.534 nan 8.360 nan 0.000 0.450 123 P HA -0.030 nan 4.420 nan 0.000 0.249 123 P C 0.196 177.061 177.300 -0.725 0.000 1.241 123 P CA 0.784 63.607 63.100 -0.463 0.000 0.781 123 P CB 0.131 31.653 31.700 -0.297 0.000 1.088 124 R N -1.104 119.036 120.500 -0.599 0.000 2.397 124 R HA 0.110 4.450 4.340 -0.000 0.000 0.241 124 R C -0.115 175.884 176.300 -0.502 0.000 0.914 124 R CA -0.278 55.499 56.100 -0.538 0.000 1.071 124 R CB -0.132 30.049 30.300 -0.199 0.000 1.116 124 R HN 0.298 nan 8.270 nan 0.000 0.524 125 H N -0.922 118.119 119.070 -0.049 0.000 4.618 125 H HA -0.195 4.360 4.556 -0.000 0.000 0.257 125 H C -1.047 174.432 175.328 0.251 0.000 0.545 125 H CA 0.448 56.520 56.048 0.040 0.000 0.688 125 H CB -0.619 29.033 29.762 -0.184 0.000 0.965 125 H HN 0.055 nan 8.280 nan 0.000 0.303 126 L N 1.641 123.171 121.223 0.512 0.000 2.410 126 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 126 L C -1.288 175.748 176.870 0.277 0.000 0.983 126 L CA -0.760 54.310 54.840 0.383 0.000 0.822 126 L CB 1.622 43.860 42.059 0.299 0.000 1.285 126 L HN 0.508 nan 8.230 nan 0.000 0.409 127 L N 5.926 127.175 121.223 0.042 0.000 2.305 127 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 127 L C -1.139 175.657 176.870 -0.124 0.000 1.013 127 L CA -0.256 54.395 54.840 -0.314 0.000 0.819 127 L CB 1.781 43.533 42.059 -0.512 0.000 1.227 127 L HN 0.404 nan 8.230 nan 0.000 0.417 128 V N 5.720 125.574 119.914 -0.099 0.000 2.277 128 V HA 0.345 4.465 4.120 -0.000 0.000 0.269 128 V C 0.090 176.160 176.094 -0.040 0.000 1.036 128 V CA -0.529 61.755 62.300 -0.027 0.000 0.821 128 V CB 0.642 32.484 31.823 0.032 0.000 1.052 128 V HN 0.815 nan 8.190 nan 0.000 0.462 129 N N 3.597 122.274 118.700 -0.038 0.000 2.422 129 N HA 0.683 5.423 4.740 -0.000 0.000 0.266 129 N C -0.074 175.436 175.510 -0.000 0.000 1.007 129 N CA -0.035 52.997 53.050 -0.030 0.000 0.941 129 N CB 1.359 39.821 38.487 -0.042 0.000 1.115 129 N HN 0.829 nan 8.380 nan 0.000 0.492 130 G N 1.135 109.939 108.800 0.006 0.000 2.616 130 G HA2 0.509 4.469 3.960 -0.000 0.000 0.294 130 G HA3 0.509 4.469 3.960 -0.000 0.000 0.294 130 G C -1.122 173.790 174.900 0.019 0.000 1.489 130 G CA -0.539 44.572 45.100 0.019 0.000 0.836 130 G HN 0.713 nan 8.290 nan 0.000 0.527 131 A N 0.369 123.201 122.820 0.020 0.000 2.325 131 A HA 0.689 5.009 4.320 -0.000 0.000 0.260 131 A C 1.054 178.652 177.584 0.023 0.000 1.133 131 A CA 0.442 52.491 52.037 0.020 0.000 0.801 131 A CB -0.231 18.780 19.000 0.018 0.000 1.092 131 A HN 1.211 nan 8.150 nan 0.000 0.504 132 T N 0.154 114.721 114.554 0.022 0.000 2.916 132 T HA 0.437 4.787 4.350 -0.000 0.000 0.303 132 T C 1.384 176.095 174.700 0.020 0.000 1.025 132 T CA 1.092 63.206 62.100 0.023 0.000 1.142 132 T CB 0.615 69.496 68.868 0.021 0.000 0.947 132 T HN 2.072 nan 8.240 nan 0.000 0.544 133 G N 2.274 111.086 108.800 0.019 0.000 2.184 133 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 133 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 133 G C 1.012 175.922 174.900 0.018 0.000 0.975 133 G CA 0.760 45.869 45.100 0.016 0.000 0.642 133 G HN 1.022 nan 8.290 nan 0.000 0.536 134 T N -2.223 112.344 114.554 0.021 0.000 3.055 134 T HA 0.409 4.759 4.350 -0.000 0.000 0.265 134 T C 2.197 176.911 174.700 0.024 0.000 1.111 134 T CA 1.640 63.754 62.100 0.023 0.000 1.118 134 T CB 0.260 69.144 68.868 0.027 0.000 0.909 134 T HN 2.204 nan 8.240 nan 0.000 0.501 135 G N 1.146 109.962 108.800 0.027 0.000 2.148 135 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.157 135 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.157 135 G C 0.681 175.606 174.900 0.042 0.000 1.012 135 G CA 0.134 45.253 45.100 0.032 0.000 0.677 135 G HN 0.466 nan 8.290 nan 0.000 0.506 136 K N 0.903 121.329 120.400 0.044 0.000 2.032 136 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 136 K C 2.898 179.539 176.600 0.068 0.000 1.048 136 K CA 1.957 58.278 56.287 0.056 0.000 0.927 136 K CB -0.267 32.266 32.500 0.054 0.000 0.712 136 K HN 0.603 nan 8.250 nan 0.000 0.441 137 S N 0.795 116.528 115.700 0.055 0.000 2.399 137 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 137 S C 2.179 176.808 174.600 0.049 0.000 1.022 137 S CA 1.106 59.335 58.200 0.049 0.000 0.983 137 S CB -0.588 62.627 63.200 0.026 0.000 0.803 137 S HN 0.023 nan 8.310 nan 0.000 0.480 138 V N 1.901 121.847 119.914 0.054 0.000 2.307 138 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 138 V C 2.472 178.619 176.094 0.088 0.000 1.045 138 V CA 1.863 64.206 62.300 0.071 0.000 1.024 138 V CB -0.739 31.123 31.823 0.064 0.000 0.651 138 V HN 0.526 nan 8.190 nan 0.000 0.449 139 L N -1.017 120.256 121.223 0.084 0.000 2.093 139 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 139 L C 2.273 179.214 176.870 0.119 0.000 1.085 139 L CA 1.434 56.334 54.840 0.099 0.000 0.755 139 L CB -0.081 42.032 42.059 0.090 0.000 0.904 139 L HN 0.241 nan 8.230 nan 0.000 0.435 140 L N -0.238 121.057 121.223 0.120 0.000 2.093 140 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 140 L C 2.656 179.510 176.870 -0.027 0.000 1.085 140 L CA 1.541 56.467 54.840 0.144 0.000 0.755 140 L CB -0.659 41.509 42.059 0.182 0.000 0.904 140 L HN 0.216 nan 8.230 nan 0.000 0.435 141 R N 0.030 120.524 120.500 -0.009 0.000 2.083 141 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 141 R C 2.298 178.586 176.300 -0.019 0.000 1.137 141 R CA 1.872 57.954 56.100 -0.029 0.000 0.951 141 R CB -0.289 30.011 30.300 0.000 0.000 0.851 141 R HN 0.513 nan 8.270 nan 0.000 0.434 142 E N 0.051 120.309 120.200 0.096 0.000 2.077 142 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 142 E C 2.001 178.649 176.600 0.080 0.000 0.989 142 E CA 1.283 57.796 56.400 0.189 0.000 0.800 142 E CB -0.166 29.651 29.700 0.194 0.000 0.746 142 E HN 0.460 nan 8.360 nan 0.000 0.452 143 L N 0.404 121.644 121.223 0.028 0.000 2.017 143 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 143 L C 2.656 179.398 176.870 -0.214 0.000 1.073 143 L CA 1.226 56.058 54.840 -0.012 0.000 0.745 143 L CB -0.397 41.773 42.059 0.185 0.000 0.894 143 L HN 0.289 nan 8.230 nan 0.000 0.432 144 A N -0.850 121.706 122.820 -0.440 0.000 1.877 144 A HA -0.318 4.002 4.320 -0.000 0.000 0.216 144 A C 2.126 179.330 177.584 -0.634 0.000 1.186 144 A CA 1.854 53.426 52.037 -0.775 0.000 0.620 144 A CB -1.043 17.329 19.000 -1.045 0.000 0.822 144 A HN 0.520 nan 8.150 nan 0.000 0.443 145 Y N 2.010 121.845 120.300 -0.775 0.000 2.030 145 Y HA -0.287 4.263 4.550 -0.000 0.000 0.274 145 Y C 2.926 178.611 175.900 -0.359 0.000 1.153 145 Y CA 2.812 60.468 58.100 -0.740 0.000 1.115 145 Y CB -1.169 37.065 38.460 -0.376 0.000 0.969 145 Y HN 0.447 nan 8.280 nan 0.000 0.488 146 T N -2.392 111.903 114.554 -0.432 0.000 2.849 146 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 146 T C 2.149 176.632 174.700 -0.362 0.000 1.066 146 T CA 1.282 63.124 62.100 -0.431 0.000 1.130 146 T CB -1.306 67.451 68.868 -0.185 0.000 0.864 146 T HN 0.446 nan 8.240 nan 0.000 0.481 147 G N 1.126 109.687 108.800 -0.398 0.000 2.408 147 G HA2 0.093 4.053 3.960 -0.000 0.000 0.215 147 G HA3 0.093 4.053 3.960 -0.000 0.000 0.215 147 G C 1.500 176.237 174.900 -0.272 0.000 1.156 147 G CA 0.365 45.232 45.100 -0.390 0.000 0.793 147 G HN 0.512 nan 8.290 nan 0.000 0.535 148 L N 0.085 121.110 121.223 -0.330 0.000 2.056 148 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 148 L C 2.836 179.589 176.870 -0.194 0.000 1.078 148 L CA 0.525 55.228 54.840 -0.228 0.000 0.749 148 L CB -0.408 41.488 42.059 -0.271 0.000 0.901 148 L HN 0.160 nan 8.230 nan 0.000 0.433 149 L N -0.363 120.669 121.223 -0.318 0.000 2.189 149 L HA -0.239 4.101 4.340 -0.000 0.000 0.214 149 L C 2.611 179.396 176.870 -0.142 0.000 1.097 149 L CA 1.216 55.901 54.840 -0.259 0.000 0.764 149 L CB -0.493 41.325 42.059 -0.401 0.000 0.900 149 L HN 0.285 nan 8.230 nan 0.000 0.436 150 R N 0.109 120.533 120.500 -0.127 0.000 2.297 150 R HA 0.034 4.374 4.340 -0.000 0.000 0.197 150 R C 1.109 177.398 176.300 -0.018 0.000 0.943 150 R CA 0.662 56.728 56.100 -0.055 0.000 1.038 150 R CB 0.230 30.512 30.300 -0.029 0.000 0.957 150 R HN 0.365 nan 8.270 nan 0.000 0.484 151 G N 1.311 110.096 108.800 -0.024 0.000 2.132 151 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.228 151 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.228 151 G C -0.846 174.079 174.900 0.043 0.000 1.000 151 G CA 0.208 45.313 45.100 0.008 0.000 0.693 151 G HN 0.429 nan 8.290 nan 0.000 0.515 152 D N 0.049 120.489 120.400 0.066 0.000 2.302 152 D HA 0.536 5.176 4.640 -0.000 0.000 0.248 152 D C 1.089 177.487 176.300 0.164 0.000 1.094 152 D CA -0.052 54.047 54.000 0.165 0.000 0.897 152 D CB 0.603 41.600 40.800 0.328 0.000 1.200 152 D HN 0.351 nan 8.370 nan 0.000 0.429 153 R N 1.679 122.287 120.500 0.180 0.000 2.500 153 R HA 0.709 5.049 4.340 -0.000 0.000 0.275 153 R C -0.037 176.431 176.300 0.280 0.000 1.051 153 R CA -0.514 55.681 56.100 0.159 0.000 1.088 153 R CB 0.849 31.171 30.300 0.037 0.000 1.063 153 R HN 0.555 nan 8.270 nan 0.000 0.511 154 M N -1.365 118.405 119.600 0.283 0.000 2.562 154 M HA 0.366 4.846 4.480 -0.000 0.000 0.281 154 M C -1.579 174.885 176.300 0.274 0.000 1.195 154 M CA -1.133 54.377 55.300 0.350 0.000 0.888 154 M CB 1.717 34.565 32.600 0.413 0.000 1.731 154 M HN 0.167 nan 8.290 nan 0.000 0.493 155 V N 2.769 122.854 119.914 0.284 0.000 2.483 155 V HA 0.657 4.777 4.120 -0.000 0.000 0.295 155 V C -0.464 175.716 176.094 0.144 0.000 1.035 155 V CA -0.464 61.919 62.300 0.138 0.000 0.896 155 V CB 1.913 33.837 31.823 0.170 0.000 0.986 155 V HN 0.749 nan 8.190 nan 0.000 0.447 156 I N 4.104 124.665 120.570 -0.014 0.000 2.478 156 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 156 I C -0.537 175.665 176.117 0.141 0.000 1.042 156 I CA -0.807 60.541 61.300 0.081 0.000 1.067 156 I CB 2.246 40.170 38.000 -0.127 0.000 1.233 156 I HN 0.263 nan 8.210 nan 0.000 0.431 157 V N 4.458 124.523 119.914 0.251 0.000 2.364 157 V HA 0.060 4.180 4.120 -0.000 0.000 0.252 157 V C -0.160 176.111 176.094 0.294 0.000 1.075 157 V CA 0.119 62.632 62.300 0.355 0.000 1.033 157 V CB 0.346 32.399 31.823 0.383 0.000 1.116 157 V HN 0.620 nan 8.190 nan 0.000 0.488 158 D N 7.224 127.739 120.400 0.193 0.000 2.473 158 D HA 0.374 5.014 4.640 -0.000 0.000 0.226 158 D C -2.694 173.323 176.300 -0.472 0.000 1.089 158 D CA -2.148 51.836 54.000 -0.027 0.000 0.883 158 D CB 1.677 42.551 40.800 0.124 0.000 1.029 158 D HN 0.261 nan 8.370 nan 0.000 0.517 159 P HA 0.150 nan 4.420 nan 0.000 0.267 159 P C -0.201 176.686 177.300 -0.687 0.000 1.205 159 P CA -0.072 62.299 63.100 -1.216 0.000 0.765 159 P CB 0.459 31.794 31.700 -0.609 0.000 0.828 160 N N 2.523 120.786 118.700 -0.729 0.000 2.778 160 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 160 N C 0.906 176.269 175.510 -0.245 0.000 1.069 160 N CA 1.583 54.395 53.050 -0.397 0.000 0.831 160 N CB -1.854 36.460 38.487 -0.289 0.000 1.142 160 N HN 0.851 nan 8.380 nan 0.000 0.573 161 G N 0.593 109.254 108.800 -0.232 0.000 2.233 161 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.270 161 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.270 161 G C 0.649 175.463 174.900 -0.144 0.000 1.011 161 G CA 1.421 46.447 45.100 -0.124 0.000 0.762 161 G HN 0.650 nan 8.290 nan 0.000 0.511 162 D N -0.169 120.136 120.400 -0.159 0.000 2.092 162 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 162 D C 2.496 178.672 176.300 -0.208 0.000 0.994 162 D CA 1.891 55.789 54.000 -0.169 0.000 0.828 162 D CB -0.189 40.520 40.800 -0.151 0.000 0.963 162 D HN 0.459 nan 8.370 nan 0.000 0.450 163 M N -0.578 118.953 119.600 -0.116 0.000 2.319 163 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 163 M C 2.024 178.275 176.300 -0.082 0.000 1.068 163 M CA 0.414 55.677 55.300 -0.063 0.000 1.118 163 M CB -0.126 32.605 32.600 0.219 0.000 1.395 163 M HN 0.214 nan 8.290 nan 0.000 0.435 164 L N 0.421 121.508 121.223 -0.227 0.000 2.093 164 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 164 L C 2.553 179.108 176.870 -0.526 0.000 1.085 164 L CA 2.166 56.528 54.840 -0.796 0.000 0.755 164 L CB -0.677 41.024 42.059 -0.596 0.000 0.904 164 L HN 0.302 nan 8.230 nan 0.000 0.435 165 S N -1.500 113.993 115.700 -0.345 0.000 2.428 165 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 165 S C 1.857 176.272 174.600 -0.310 0.000 1.014 165 S CA 0.601 58.636 58.200 -0.274 0.000 0.957 165 S CB -0.376 62.702 63.200 -0.203 0.000 0.784 165 S HN 0.449 nan 8.310 nan 0.000 0.499 166 K N 0.261 120.376 120.400 -0.475 0.000 2.202 166 K HA 0.250 4.570 4.320 -0.000 0.000 0.201 166 K C 0.651 176.867 176.600 -0.639 0.000 1.051 166 K CA 0.673 56.547 56.287 -0.688 0.000 0.977 166 K CB -0.269 31.484 32.500 -1.244 0.000 0.792 166 K HN 0.560 nan 8.250 nan 0.000 0.469 167 F N 0.431 120.316 119.950 -0.108 0.000 2.706 167 F HA 0.309 4.836 4.527 -0.000 0.000 0.313 167 F C 1.143 176.936 175.800 -0.010 0.000 1.096 167 F CA -1.129 56.869 58.000 -0.003 0.000 1.219 167 F CB -0.303 38.748 39.000 0.085 0.000 1.051 167 F HN -0.186 nan 8.300 nan 0.000 0.568 168 G N 2.192 110.909 108.800 -0.139 0.000 2.298 168 G HA2 0.309 4.269 3.960 -0.000 0.000 0.263 168 G HA3 0.309 4.269 3.960 -0.000 0.000 0.263 168 G C 0.296 175.170 174.900 -0.044 0.000 1.229 168 G CA -0.314 44.627 45.100 -0.265 0.000 0.976 168 G HN 0.176 nan 8.290 nan 0.000 0.459 169 R N 1.586 122.126 120.500 0.066 0.000 2.541 169 R HA 0.231 4.571 4.340 -0.000 0.000 0.254 169 R C 0.957 177.282 176.300 0.041 0.000 1.130 169 R CA -0.890 55.253 56.100 0.071 0.000 1.152 169 R CB 0.951 31.321 30.300 0.117 0.000 1.222 169 R HN 0.553 nan 8.270 nan 0.000 0.579 170 D N 1.156 121.579 120.400 0.038 0.000 2.149 170 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 170 D C 1.019 177.345 176.300 0.043 0.000 0.972 170 D CA 1.215 55.230 54.000 0.024 0.000 0.835 170 D CB 0.408 41.221 40.800 0.021 0.000 0.966 170 D HN 0.448 nan 8.370 nan 0.000 0.476 171 K N 0.257 120.701 120.400 0.074 0.000 2.525 171 K HA 0.022 4.342 4.320 -0.000 0.000 0.192 171 K C 0.164 176.851 176.600 0.144 0.000 1.029 171 K CA 0.102 56.449 56.287 0.100 0.000 1.029 171 K CB 0.321 32.884 32.500 0.105 0.000 0.814 171 K HN -0.073 nan 8.250 nan 0.000 0.503 172 D N 1.389 121.877 120.400 0.148 0.000 2.329 172 D HA 0.170 4.810 4.640 -0.000 0.000 0.246 172 D C 0.268 176.631 176.300 0.105 0.000 1.111 172 D CA -0.306 53.821 54.000 0.212 0.000 0.941 172 D CB 0.939 41.939 40.800 0.333 0.000 1.169 172 D HN -0.056 nan 8.370 nan 0.000 0.441 173 I N 1.028 121.638 120.570 0.065 0.000 2.566 173 I HA 0.407 4.577 4.170 -0.000 0.000 0.303 173 I C 0.446 176.469 176.117 -0.157 0.000 0.983 173 I CA -0.555 60.622 61.300 -0.206 0.000 1.235 173 I CB 0.897 38.549 38.000 -0.579 0.000 1.386 173 I HN 0.191 nan 8.210 nan 0.000 0.494 174 I N 5.343 125.746 120.570 -0.278 0.000 2.569 174 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 174 I C -0.923 174.993 176.117 -0.336 0.000 1.088 174 I CA -0.484 60.699 61.300 -0.196 0.000 1.047 174 I CB 2.568 40.496 38.000 -0.120 0.000 1.237 174 I HN 0.214 nan 8.210 nan 0.000 0.421 175 L N 6.328 127.333 121.223 -0.363 0.000 2.342 175 L HA 0.552 4.892 4.340 -0.000 0.000 0.276 175 L C -0.845 175.902 176.870 -0.205 0.000 0.997 175 L CA -0.343 54.137 54.840 -0.599 0.000 0.838 175 L CB 1.425 42.669 42.059 -1.359 0.000 1.224 175 L HN 0.566 nan 8.230 nan 0.000 0.416 176 N N 5.378 124.123 118.700 0.076 0.000 3.063 176 N HA 0.152 4.892 4.740 -0.000 0.000 0.242 176 N C -2.414 173.299 175.510 0.338 0.000 1.146 176 N CA -0.958 52.310 53.050 0.363 0.000 0.974 176 N CB 2.403 41.087 38.487 0.328 0.000 1.584 176 N HN 0.107 nan 8.380 nan 0.000 0.636 177 P HA -0.076 nan 4.420 nan 0.000 0.223 177 P C 0.143 177.347 177.300 -0.161 0.000 1.144 177 P CA 1.215 64.370 63.100 0.093 0.000 0.783 177 P CB 0.087 31.788 31.700 0.003 0.000 0.771 178 Y N -1.227 119.222 120.300 0.248 0.000 2.531 178 Y HA 0.298 4.848 4.550 -0.000 0.000 0.249 178 Y C 0.796 176.837 175.900 0.235 0.000 1.168 178 Y CA -0.846 57.412 58.100 0.263 0.000 1.226 178 Y CB 0.148 38.805 38.460 0.328 0.000 1.177 178 Y HN -0.073 nan 8.280 nan 0.000 0.527 179 D N 0.871 121.417 120.400 0.243 0.000 2.256 179 D HA 0.047 4.687 4.640 -0.000 0.000 0.240 179 D C 0.728 176.980 176.300 -0.079 0.000 1.062 179 D CA -0.089 53.886 54.000 -0.041 0.000 0.832 179 D CB 1.649 42.472 40.800 0.038 0.000 1.135 179 D HN 0.233 nan 8.370 nan 0.000 0.484 180 Q N 2.981 122.687 119.800 -0.157 0.000 2.297 180 Q HA -0.142 4.198 4.340 -0.000 0.000 0.208 180 Q C 1.222 177.168 176.000 -0.090 0.000 0.981 180 Q CA 1.224 56.964 55.803 -0.106 0.000 0.876 180 Q CB 0.308 28.975 28.738 -0.119 0.000 0.921 180 Q HN 0.419 nan 8.270 nan 0.000 0.446 181 R N -0.407 120.028 120.500 -0.108 0.000 2.299 181 R HA 0.051 4.391 4.340 -0.000 0.000 0.197 181 R C 0.793 177.031 176.300 -0.102 0.000 0.971 181 R CA 0.266 56.307 56.100 -0.099 0.000 1.030 181 R CB 0.061 30.294 30.300 -0.111 0.000 0.932 181 R HN 0.029 nan 8.270 nan 0.000 0.477 182 T N 1.232 115.735 114.554 -0.085 0.000 2.932 182 T HA 0.008 4.358 4.350 -0.000 0.000 0.312 182 T C 0.323 174.952 174.700 -0.118 0.000 1.071 182 T CA -0.080 61.957 62.100 -0.104 0.000 1.128 182 T CB 0.483 69.332 68.868 -0.032 0.000 0.984 182 T HN -0.093 nan 8.240 nan 0.000 0.549 183 K N 2.393 122.661 120.400 -0.220 0.000 2.138 183 K HA 0.365 4.685 4.320 -0.000 0.000 0.251 183 K C 0.613 177.225 176.600 0.020 0.000 1.015 183 K CA -0.270 55.901 56.287 -0.192 0.000 0.917 183 K CB 0.721 32.877 32.500 -0.575 0.000 1.021 183 K HN 0.791 nan 8.250 nan 0.000 0.485 184 G N 0.478 109.360 108.800 0.136 0.000 2.356 184 G HA2 0.410 4.370 3.960 -0.000 0.000 0.298 184 G HA3 0.410 4.370 3.960 -0.000 0.000 0.298 184 G C -1.439 173.710 174.900 0.415 0.000 1.145 184 G CA -0.389 44.845 45.100 0.224 0.000 0.850 184 G HN 0.624 nan 8.290 nan 0.000 0.487 185 W N 1.659 123.079 121.300 0.201 0.000 3.153 185 W HA 0.579 5.239 4.660 -0.000 0.000 0.316 185 W C -0.782 175.907 176.519 0.284 0.000 1.255 185 W CA -0.517 56.984 57.345 0.259 0.000 1.192 185 W CB 1.623 31.287 29.460 0.341 0.000 1.400 185 W HN 1.036 nan 8.180 nan 0.000 0.568 186 S N 2.637 117.780 115.700 -0.927 0.000 2.552 186 S HA 0.311 4.781 4.470 -0.000 0.000 0.272 186 S C 0.018 173.656 174.600 -1.603 0.000 1.150 186 S CA -0.308 57.292 58.200 -0.999 0.000 0.849 186 S CB 0.312 63.376 63.200 -0.227 0.000 1.113 186 S HN 1.155 nan 8.310 nan 0.000 0.458 187 F N 1.017 120.249 119.950 -1.198 0.000 2.373 187 F HA 0.152 4.679 4.527 -0.000 0.000 0.300 187 F C 1.262 176.814 175.800 -0.414 0.000 1.080 187 F CA 0.510 58.145 58.000 -0.608 0.000 1.417 187 F CB -0.943 37.949 39.000 -0.179 0.000 1.070 187 F HN 0.500 nan 8.300 nan 0.000 0.546 188 F N 1.802 121.117 119.950 -1.059 0.000 2.192 188 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 188 F C 1.950 177.470 175.800 -0.467 0.000 1.079 188 F CA 1.676 59.233 58.000 -0.739 0.000 1.303 188 F CB -0.986 37.690 39.000 -0.540 0.000 1.024 188 F HN 0.055 nan 8.300 nan 0.000 0.494 189 N N 0.088 118.635 118.700 -0.254 0.000 2.573 189 N HA -0.112 4.628 4.740 -0.000 0.000 0.187 189 N C 1.252 176.666 175.510 -0.160 0.000 1.107 189 N CA 0.776 53.725 53.050 -0.168 0.000 0.918 189 N CB -0.297 38.114 38.487 -0.127 0.000 0.966 189 N HN 0.380 nan 8.380 nan 0.000 0.448 190 E N -0.029 120.020 120.200 -0.253 0.000 2.476 190 E HA 0.117 4.467 4.350 -0.000 0.000 0.199 190 E C 0.252 176.634 176.600 -0.364 0.000 1.021 190 E CA -0.132 56.049 56.400 -0.365 0.000 0.907 190 E CB 0.695 29.956 29.700 -0.731 0.000 0.974 190 E HN 0.202 nan 8.360 nan 0.000 0.489 191 I N 2.683 123.049 120.570 -0.340 0.000 2.505 191 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 191 I C 1.406 177.394 176.117 -0.214 0.000 1.104 191 I CA 0.314 61.392 61.300 -0.370 0.000 1.387 191 I CB 0.368 37.910 38.000 -0.764 0.000 1.404 191 I HN -0.104 nan 8.210 nan 0.000 0.528 192 R N 4.180 124.616 120.500 -0.106 0.000 2.107 192 R HA 0.256 4.596 4.340 -0.000 0.000 0.195 192 R C 0.435 176.731 176.300 -0.007 0.000 1.214 192 R CA 0.326 56.407 56.100 -0.031 0.000 1.129 192 R CB -0.033 30.284 30.300 0.028 0.000 1.045 192 R HN 0.551 nan 8.270 nan 0.000 0.489 193 N N 0.980 119.704 118.700 0.040 0.000 2.530 193 N HA 0.026 4.766 4.740 -0.000 0.000 0.283 193 N C 0.295 175.767 175.510 -0.063 0.000 1.238 193 N CA -0.229 52.882 53.050 0.103 0.000 0.971 193 N CB 0.959 39.666 38.487 0.367 0.000 1.195 193 N HN -0.007 nan 8.380 nan 0.000 0.583 194 D N -0.633 119.608 120.400 -0.265 0.000 2.224 194 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 194 D C 1.025 177.124 176.300 -0.335 0.000 0.965 194 D CA 1.224 55.043 54.000 -0.301 0.000 0.852 194 D CB 0.047 40.576 40.800 -0.453 0.000 0.947 194 D HN 0.501 nan 8.370 nan 0.000 0.494 195 Y N -0.007 120.371 120.300 0.131 0.000 2.571 195 Y HA 0.044 4.594 4.550 -0.000 0.000 0.294 195 Y C 1.697 177.644 175.900 0.077 0.000 1.141 195 Y CA 0.403 58.565 58.100 0.104 0.000 1.308 195 Y CB -0.268 38.227 38.460 0.058 0.000 1.002 195 Y HN -0.020 nan 8.280 nan 0.000 0.551 196 D N -0.823 119.638 120.400 0.102 0.000 2.317 196 D HA -0.128 4.512 4.640 -0.000 0.000 0.211 196 D C 1.433 177.809 176.300 0.126 0.000 0.966 196 D CA 0.694 54.754 54.000 0.101 0.000 0.876 196 D CB -0.397 40.487 40.800 0.141 0.000 0.927 196 D HN 0.445 nan 8.370 nan 0.000 0.519 197 W N 1.305 122.698 121.300 0.155 0.000 2.354 197 W HA -0.196 4.464 4.660 -0.000 0.000 0.315 197 W C 2.680 179.258 176.519 0.098 0.000 1.206 197 W CA 0.617 58.053 57.345 0.151 0.000 1.290 197 W CB -0.313 29.197 29.460 0.083 0.000 1.152 197 W HN -0.026 nan 8.180 nan 0.000 0.489 198 Q N 1.072 121.038 119.800 0.277 0.000 2.123 198 Q HA -0.158 4.182 4.340 -0.000 0.000 0.199 198 Q C 2.169 178.196 176.000 0.045 0.000 0.966 198 Q CA 1.756 57.643 55.803 0.139 0.000 0.845 198 Q CB -0.518 28.282 28.738 0.104 0.000 0.907 198 Q HN 0.210 nan 8.270 nan 0.000 0.439 199 R N -1.202 119.285 120.500 -0.022 0.000 2.096 199 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 199 R C 1.338 177.408 176.300 -0.382 0.000 1.139 199 R CA 1.981 57.931 56.100 -0.251 0.000 0.952 199 R CB -0.295 29.756 30.300 -0.414 0.000 0.854 199 R HN 0.400 nan 8.270 nan 0.000 0.436 200 Y N -1.006 119.347 120.300 0.090 0.000 2.500 200 Y HA 0.262 4.812 4.550 -0.000 0.000 0.270 200 Y C 1.971 177.845 175.900 -0.042 0.000 1.134 200 Y CA 0.347 58.496 58.100 0.082 0.000 1.293 200 Y CB 0.131 38.692 38.460 0.169 0.000 1.063 200 Y HN 0.192 nan 8.280 nan 0.000 0.534 201 A N -0.479 122.364 122.820 0.039 0.000 2.014 201 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 201 A C 1.926 179.475 177.584 -0.057 0.000 1.163 201 A CA 1.029 53.018 52.037 -0.080 0.000 0.652 201 A CB -0.553 18.450 19.000 0.006 0.000 0.808 201 A HN 0.318 nan 8.150 nan 0.000 0.449 202 L N -0.251 120.959 121.223 -0.023 0.000 2.291 202 L HA 0.015 4.355 4.340 -0.000 0.000 0.214 202 L C 2.426 179.296 176.870 0.000 0.000 1.120 202 L CA 1.746 56.574 54.840 -0.020 0.000 0.799 202 L CB -0.776 41.265 42.059 -0.031 0.000 0.925 202 L HN 0.318 nan 8.230 nan 0.000 0.446 203 S N -1.598 114.125 115.700 0.037 0.000 2.388 203 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 203 S C 1.988 176.634 174.600 0.076 0.000 1.034 203 S CA 0.817 59.079 58.200 0.103 0.000 0.963 203 S CB 0.069 63.421 63.200 0.254 0.000 0.827 203 S HN 0.212 nan 8.310 nan 0.000 0.481 204 V N 1.437 121.349 119.914 -0.002 0.000 2.358 204 V HA 0.006 4.126 4.120 -0.000 0.000 0.246 204 V C 0.721 176.772 176.094 -0.072 0.000 1.047 204 V CA 0.984 63.229 62.300 -0.091 0.000 1.035 204 V CB -0.362 31.207 31.823 -0.423 0.000 0.658 204 V HN 0.270 nan 8.190 nan 0.000 0.452 205 V N 3.313 123.186 119.914 -0.069 0.000 2.266 205 V HA 0.319 4.439 4.120 -0.000 0.000 0.271 205 V C -2.129 173.953 176.094 -0.020 0.000 1.032 205 V CA -1.752 60.528 62.300 -0.034 0.000 0.806 205 V CB 0.811 32.617 31.823 -0.028 0.000 1.052 205 V HN 0.309 nan 8.190 nan 0.000 0.449 206 P HA 0.135 nan 4.420 nan 0.000 0.271 206 P C -0.142 177.129 177.300 -0.048 0.000 1.244 206 P CA -0.490 62.591 63.100 -0.032 0.000 0.793 206 P CB 0.770 32.444 31.700 -0.043 0.000 0.984 207 R N 0.097 120.555 120.500 -0.070 0.000 2.638 207 R HA 0.158 4.498 4.340 -0.000 0.000 0.268 207 R C 1.103 177.344 176.300 -0.098 0.000 1.006 207 R CA 0.427 56.478 56.100 -0.083 0.000 1.088 207 R CB -0.932 29.311 30.300 -0.095 0.000 0.950 207 R HN 0.642 nan 8.270 nan 0.000 0.419 208 G N 1.219 109.965 108.800 -0.091 0.000 2.527 208 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.248 208 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.248 208 G C 0.866 175.696 174.900 -0.116 0.000 1.231 208 G CA -0.404 44.638 45.100 -0.095 0.000 0.838 208 G HN 0.643 nan 8.290 nan 0.000 0.570 209 K N -0.342 119.997 120.400 -0.103 0.000 2.026 209 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 209 K C 1.520 178.059 176.600 -0.101 0.000 1.048 209 K CA 1.613 57.842 56.287 -0.098 0.000 0.929 209 K CB -0.189 32.269 32.500 -0.069 0.000 0.713 209 K HN 0.639 nan 8.250 nan 0.000 0.439 210 T N -2.115 112.360 114.554 -0.132 0.000 2.948 210 T HA 0.174 4.524 4.350 -0.000 0.000 0.285 210 T C 0.514 175.098 174.700 -0.194 0.000 1.019 210 T CA -0.885 61.125 62.100 -0.151 0.000 1.013 210 T CB 1.419 70.183 68.868 -0.174 0.000 1.117 210 T HN -0.060 nan 8.240 nan 0.000 0.533 211 D N -0.062 120.233 120.400 -0.176 0.000 2.178 211 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 211 D C 1.742 177.872 176.300 -0.283 0.000 0.980 211 D CA 1.267 55.157 54.000 -0.183 0.000 0.842 211 D CB 0.007 40.727 40.800 -0.134 0.000 0.948 211 D HN 0.869 nan 8.370 nan 0.000 0.472 212 E N 0.259 120.231 120.200 -0.380 0.000 2.076 212 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 212 E C 1.992 177.950 176.600 -1.070 0.000 0.979 212 E CA 0.810 56.825 56.400 -0.642 0.000 0.807 212 E CB 0.048 29.378 29.700 -0.617 0.000 0.761 212 E HN 0.126 nan 8.360 nan 0.000 0.454 213 A N 1.053 123.376 122.820 -0.828 0.000 1.933 213 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 213 A C 2.041 179.438 177.584 -0.312 0.000 1.175 213 A CA 1.824 53.498 52.037 -0.606 0.000 0.628 213 A CB -0.551 18.298 19.000 -0.252 0.000 0.814 213 A HN 0.335 nan 8.150 nan 0.000 0.444 214 E N 0.286 120.313 120.200 -0.287 0.000 2.274 214 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 214 E C 1.842 178.306 176.600 -0.227 0.000 0.996 214 E CA 1.390 57.677 56.400 -0.189 0.000 0.840 214 E CB -0.271 29.333 29.700 -0.159 0.000 0.772 214 E HN 0.710 nan 8.360 nan 0.000 0.491 215 E N -0.676 119.314 120.200 -0.351 0.000 2.047 215 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 215 E C 1.374 177.719 176.600 -0.424 0.000 0.987 215 E CA 1.293 57.450 56.400 -0.406 0.000 0.799 215 E CB -0.203 29.267 29.700 -0.383 0.000 0.752 215 E HN 0.369 nan 8.360 nan 0.000 0.449 216 W N 0.565 121.738 121.300 -0.212 0.000 2.355 216 W HA -0.045 4.615 4.660 -0.000 0.000 0.309 216 W C 2.518 179.014 176.519 -0.038 0.000 1.206 216 W CA 0.904 58.220 57.345 -0.048 0.000 1.284 216 W CB -1.400 28.104 29.460 0.073 0.000 1.145 216 W HN 0.206 nan 8.180 nan 0.000 0.502 217 A N 0.095 123.017 122.820 0.171 0.000 1.948 217 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 217 A C 2.292 179.900 177.584 0.041 0.000 1.177 217 A CA 2.693 54.786 52.037 0.094 0.000 0.636 217 A CB -1.207 17.810 19.000 0.027 0.000 0.815 217 A HN 0.229 nan 8.150 nan 0.000 0.449 218 S N -1.654 114.007 115.700 -0.066 0.000 2.368 218 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 218 S C 1.950 176.580 174.600 0.050 0.000 1.030 218 S CA 1.696 59.845 58.200 -0.086 0.000 0.999 218 S CB -0.526 62.536 63.200 -0.230 0.000 0.844 218 S HN 0.597 nan 8.310 nan 0.000 0.459 219 Y N 1.699 122.112 120.300 0.189 0.000 2.200 219 Y HA 0.112 4.662 4.550 -0.000 0.000 0.290 219 Y C 2.861 178.926 175.900 0.275 0.000 1.137 219 Y CA 0.344 58.616 58.100 0.287 0.000 1.163 219 Y CB -1.488 37.192 38.460 0.368 0.000 0.988 219 Y HN 0.364 nan 8.280 nan 0.000 0.518 220 G N 0.057 109.052 108.800 0.324 0.000 2.440 220 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 220 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 220 G C 1.834 176.815 174.900 0.134 0.000 1.154 220 G CA 0.921 46.132 45.100 0.186 0.000 0.767 220 G HN 0.313 nan 8.290 nan 0.000 0.552 221 R N -0.511 120.057 120.500 0.113 0.000 2.096 221 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 221 R C 2.477 178.838 176.300 0.102 0.000 1.127 221 R CA 1.069 57.210 56.100 0.069 0.000 0.968 221 R CB -0.533 29.792 30.300 0.043 0.000 0.861 221 R HN 0.401 nan 8.270 nan 0.000 0.440 222 L N 1.163 122.484 121.223 0.163 0.000 1.994 222 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 222 L C 2.130 179.123 176.870 0.205 0.000 1.071 222 L CA 1.538 56.477 54.840 0.166 0.000 0.745 222 L CB -0.668 41.500 42.059 0.182 0.000 0.892 222 L HN 0.101 nan 8.230 nan 0.000 0.431 223 L N -0.835 120.568 121.223 0.299 0.000 2.012 223 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 223 L C 2.335 179.259 176.870 0.089 0.000 1.073 223 L CA 2.070 57.021 54.840 0.185 0.000 0.748 223 L CB -0.958 41.112 42.059 0.019 0.000 0.891 223 L HN 0.448 nan 8.230 nan 0.000 0.431 224 L N 0.363 121.629 121.223 0.071 0.000 1.976 224 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 224 L C 2.891 179.796 176.870 0.059 0.000 1.071 224 L CA 2.430 57.298 54.840 0.047 0.000 0.746 224 L CB -0.901 41.146 42.059 -0.020 0.000 0.890 224 L HN 0.538 nan 8.230 nan 0.000 0.432 225 R N -1.157 119.375 120.500 0.053 0.000 2.096 225 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 225 R C 1.795 178.002 176.300 -0.155 0.000 1.127 225 R CA 1.520 57.637 56.100 0.028 0.000 0.968 225 R CB -0.721 29.635 30.300 0.094 0.000 0.861 225 R HN 0.361 nan 8.270 nan 0.000 0.440 226 E N 0.744 120.895 120.200 -0.081 0.000 2.046 226 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 226 E C 2.088 178.618 176.600 -0.116 0.000 0.982 226 E CA 1.776 58.096 56.400 -0.134 0.000 0.800 226 E CB -0.504 29.160 29.700 -0.060 0.000 0.756 226 E HN 0.389 nan 8.360 nan 0.000 0.449 227 T N 1.385 115.945 114.554 0.010 0.000 2.746 227 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 227 T C 1.912 176.706 174.700 0.156 0.000 1.039 227 T CA 1.600 63.793 62.100 0.155 0.000 1.142 227 T CB -0.218 68.751 68.868 0.169 0.000 0.866 227 T HN 0.262 nan 8.240 nan 0.000 0.444 228 A N 1.435 124.302 122.820 0.079 0.000 1.898 228 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 228 A C 2.229 179.711 177.584 -0.170 0.000 1.181 228 A CA 1.687 53.805 52.037 0.135 0.000 0.620 228 A CB -0.497 18.612 19.000 0.182 0.000 0.819 228 A HN 0.436 nan 8.150 nan 0.000 0.442 229 K N -0.186 119.765 120.400 -0.748 0.000 2.097 229 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 229 K C 2.152 178.543 176.600 -0.348 0.000 1.049 229 K CA 1.736 57.374 56.287 -1.082 0.000 0.933 229 K CB -0.141 31.665 32.500 -1.156 0.000 0.717 229 K HN 0.475 nan 8.250 nan 0.000 0.442 230 K N 0.674 120.952 120.400 -0.202 0.000 2.031 230 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 230 K C 2.139 178.771 176.600 0.054 0.000 1.049 230 K CA 0.859 57.076 56.287 -0.117 0.000 0.939 230 K CB -0.033 32.310 32.500 -0.262 0.000 0.717 230 K HN 0.110 nan 8.250 nan 0.000 0.438 231 L N 0.663 122.010 121.223 0.206 0.000 2.127 231 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 231 L C 2.542 179.483 176.870 0.119 0.000 1.089 231 L CA 1.203 56.183 54.840 0.233 0.000 0.757 231 L CB -0.484 41.749 42.059 0.290 0.000 0.899 231 L HN 0.304 nan 8.230 nan 0.000 0.434 232 A N -0.241 122.676 122.820 0.162 0.000 1.930 232 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 232 A C 2.264 179.908 177.584 0.099 0.000 1.175 232 A CA 1.122 53.255 52.037 0.160 0.000 0.627 232 A CB -0.474 18.799 19.000 0.456 0.000 0.815 232 A HN 0.328 nan 8.150 nan 0.000 0.443 233 L N -0.024 121.243 121.223 0.073 0.000 2.027 233 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 233 L C 2.332 179.216 176.870 0.024 0.000 1.074 233 L CA 1.671 56.533 54.840 0.036 0.000 0.745 233 L CB -0.439 41.614 42.059 -0.010 0.000 0.898 233 L HN 0.672 nan 8.230 nan 0.000 0.433 234 I N -2.782 117.806 120.570 0.029 0.000 3.605 234 I HA 0.154 4.324 4.170 -0.000 0.000 0.301 234 I C 1.332 177.469 176.117 0.035 0.000 1.267 234 I CA 0.733 62.055 61.300 0.036 0.000 1.236 234 I CB -0.692 37.351 38.000 0.072 0.000 1.010 234 I HN 0.352 nan 8.210 nan 0.000 0.491 235 G N 1.935 110.747 108.800 0.020 0.000 2.205 235 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 235 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 235 G C 0.581 175.461 174.900 -0.035 0.000 0.980 235 G CA 0.569 45.666 45.100 -0.005 0.000 0.632 235 G HN 0.739 nan 8.290 nan 0.000 0.533 236 T N -0.351 114.190 114.554 -0.021 0.000 3.383 236 T HA 0.605 4.955 4.350 -0.000 0.000 0.324 236 T C -1.926 172.682 174.700 -0.153 0.000 1.822 236 T CA -1.165 60.901 62.100 -0.057 0.000 1.424 236 T CB 1.584 70.457 68.868 0.009 0.000 1.093 236 T HN 0.244 nan 8.240 nan 0.000 0.748 237 P HA 0.159 nan 4.420 nan 0.000 0.235 237 P C -0.185 176.601 177.300 -0.857 0.000 1.765 237 P CA 0.069 62.571 63.100 -0.998 0.000 1.034 237 P CB -0.210 30.717 31.700 -1.288 0.000 1.984 238 S N 2.453 117.971 115.700 -0.303 0.000 2.442 238 S HA 0.326 4.796 4.470 -0.000 0.000 0.297 238 S C 1.415 176.111 174.600 0.160 0.000 1.131 238 S CA -0.706 57.451 58.200 -0.071 0.000 1.092 238 S CB 0.554 63.741 63.200 -0.022 0.000 0.998 238 S HN -0.043 nan 8.310 nan 0.000 0.478 239 M N 3.970 123.697 119.600 0.212 0.000 2.213 239 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 239 M C 2.066 178.517 176.300 0.250 0.000 1.062 239 M CA 1.334 56.817 55.300 0.304 0.000 1.105 239 M CB -1.284 31.468 32.600 0.254 0.000 1.385 239 M HN 0.807 nan 8.290 nan 0.000 0.417 240 R N 0.181 120.775 120.500 0.156 0.000 2.081 240 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 240 R C 2.033 178.439 176.300 0.178 0.000 1.131 240 R CA 1.210 57.391 56.100 0.136 0.000 0.960 240 R CB 0.129 30.459 30.300 0.052 0.000 0.856 240 R HN 0.250 nan 8.270 nan 0.000 0.436 241 E N 0.734 121.017 120.200 0.137 0.000 2.015 241 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 241 E C 1.975 178.714 176.600 0.230 0.000 0.991 241 E CA 0.921 57.393 56.400 0.120 0.000 0.802 241 E CB -0.452 29.327 29.700 0.131 0.000 0.759 241 E HN 0.204 nan 8.360 nan 0.000 0.447 242 L N 0.627 122.036 121.223 0.310 0.000 2.013 242 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 242 L C 2.295 179.329 176.870 0.273 0.000 1.073 242 L CA 1.708 56.748 54.840 0.335 0.000 0.753 242 L CB -0.891 41.410 42.059 0.404 0.000 0.890 242 L HN 0.097 nan 8.230 nan 0.000 0.432 243 F N -0.747 119.285 119.950 0.137 0.000 2.234 243 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 243 F C 2.540 178.354 175.800 0.024 0.000 1.087 243 F CA 1.856 59.904 58.000 0.080 0.000 1.340 243 F CB -0.311 38.740 39.000 0.084 0.000 1.031 243 F HN 0.452 nan 8.300 nan 0.000 0.500 244 H N -1.390 117.685 119.070 0.008 0.000 2.299 244 H HA -0.175 4.381 4.556 -0.000 0.000 0.302 244 H C 2.105 177.244 175.328 -0.315 0.000 1.078 244 H CA 2.466 58.385 56.048 -0.216 0.000 1.323 244 H CB -0.842 28.714 29.762 -0.344 0.000 1.381 244 H HN 0.379 nan 8.280 nan 0.000 0.498 245 W N 0.491 121.631 121.300 -0.267 0.000 2.354 245 W HA -0.196 4.464 4.660 -0.000 0.000 0.315 245 W C 2.885 179.204 176.519 -0.333 0.000 1.206 245 W CA 1.810 58.937 57.345 -0.364 0.000 1.290 245 W CB -0.555 28.648 29.460 -0.427 0.000 1.152 245 W HN 0.386 nan 8.180 nan 0.000 0.489 246 T N -3.726 110.815 114.554 -0.021 0.000 2.995 246 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 246 T C 1.380 175.912 174.700 -0.279 0.000 1.091 246 T CA 1.689 63.711 62.100 -0.128 0.000 1.128 246 T CB -0.503 68.313 68.868 -0.087 0.000 0.891 246 T HN 0.223 nan 8.240 nan 0.000 0.492 247 T N -2.325 111.966 114.554 -0.438 0.000 2.993 247 T HA 0.398 4.748 4.350 -0.000 0.000 0.260 247 T C 1.445 175.873 174.700 -0.454 0.000 0.939 247 T CA -0.376 61.419 62.100 -0.507 0.000 0.886 247 T CB 0.153 68.559 68.868 -0.769 0.000 1.209 247 T HN 0.244 nan 8.240 nan 0.000 0.518 248 I N 1.803 122.068 120.570 -0.508 0.000 3.300 248 I HA 0.469 4.639 4.170 -0.000 0.000 0.279 248 I C 1.660 177.474 176.117 -0.505 0.000 1.172 248 I CA 0.048 61.073 61.300 -0.458 0.000 1.431 248 I CB -1.094 36.660 38.000 -0.411 0.000 1.240 248 I HN 0.335 nan 8.210 nan 0.000 0.453 249 A N 2.281 124.666 122.820 -0.725 0.000 2.531 249 A HA 0.251 4.571 4.320 -0.000 0.000 0.236 249 A C 0.922 178.419 177.584 -0.146 0.000 1.062 249 A CA 0.185 51.944 52.037 -0.463 0.000 0.760 249 A CB -0.403 18.407 19.000 -0.317 0.000 0.995 249 A HN 0.507 nan 8.150 nan 0.000 0.501 250 T N 0.082 114.608 114.554 -0.047 0.000 2.903 250 T HA 0.129 4.479 4.350 -0.000 0.000 0.314 250 T C 0.873 175.640 174.700 0.111 0.000 1.078 250 T CA 0.231 62.349 62.100 0.030 0.000 1.114 250 T CB 0.041 68.937 68.868 0.047 0.000 0.987 250 T HN 0.471 nan 8.240 nan 0.000 0.548 251 F N 1.886 121.791 119.950 -0.075 0.000 2.063 251 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 251 F C 1.922 177.704 175.800 -0.028 0.000 1.105 251 F CA 2.430 60.383 58.000 -0.077 0.000 1.215 251 F CB -0.657 38.291 39.000 -0.086 0.000 0.972 251 F HN 0.671 nan 8.300 nan 0.000 0.483 252 D N -0.309 120.192 120.400 0.168 0.000 2.117 252 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 252 D C 1.982 178.326 176.300 0.074 0.000 0.987 252 D CA 1.525 55.577 54.000 0.085 0.000 0.829 252 D CB -0.605 40.251 40.800 0.093 0.000 0.961 252 D HN 0.326 nan 8.370 nan 0.000 0.460 253 D N 0.325 120.802 120.400 0.129 0.000 2.117 253 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 253 D C 2.260 178.721 176.300 0.268 0.000 0.982 253 D CA 0.190 54.329 54.000 0.232 0.000 0.828 253 D CB -0.195 40.789 40.800 0.307 0.000 0.967 253 D HN 0.185 nan 8.370 nan 0.000 0.464 254 L N 0.934 122.278 121.223 0.201 0.000 1.989 254 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 254 L C 2.592 179.433 176.870 -0.048 0.000 1.071 254 L CA 1.260 56.162 54.840 0.103 0.000 0.749 254 L CB -0.042 41.995 42.059 -0.038 0.000 0.890 254 L HN -0.054 nan 8.230 nan 0.000 0.431 255 R N -0.158 120.271 120.500 -0.117 0.000 2.113 255 R HA -0.190 4.150 4.340 -0.000 0.000 0.244 255 R C 2.099 178.346 176.300 -0.088 0.000 1.142 255 R CA 1.599 57.620 56.100 -0.132 0.000 0.953 255 R CB -1.345 28.880 30.300 -0.125 0.000 0.860 255 R HN 0.547 nan 8.270 nan 0.000 0.438 256 G N 0.049 108.824 108.800 -0.042 0.000 2.418 256 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 256 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 256 G C 1.371 176.196 174.900 -0.125 0.000 1.158 256 G CA 0.382 45.453 45.100 -0.047 0.000 0.771 256 G HN 0.299 nan 8.290 nan 0.000 0.545 257 F N 1.256 121.002 119.950 -0.339 0.000 2.134 257 F HA 0.038 4.565 4.527 -0.000 0.000 0.299 257 F C 2.397 177.954 175.800 -0.405 0.000 1.097 257 F CA 1.078 58.725 58.000 -0.588 0.000 1.264 257 F CB -0.164 38.041 39.000 -1.325 0.000 1.001 257 F HN 0.036 nan 8.300 nan 0.000 0.479 258 L N -0.014 121.027 121.223 -0.303 0.000 2.201 258 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 258 L C 0.798 177.510 176.870 -0.264 0.000 1.105 258 L CA 0.556 55.235 54.840 -0.269 0.000 0.775 258 L CB -0.832 41.161 42.059 -0.110 0.000 0.913 258 L HN 0.038 nan 8.230 nan 0.000 0.440 259 E N 0.030 120.093 120.200 -0.228 0.000 2.608 259 E HA 0.021 4.371 4.350 -0.000 0.000 0.259 259 E C 1.101 177.569 176.600 -0.220 0.000 0.951 259 E CA 0.699 56.990 56.400 -0.181 0.000 0.945 259 E CB 0.196 29.809 29.700 -0.144 0.000 0.916 259 E HN 0.367 nan 8.360 nan 0.000 0.477 260 G N 2.586 111.285 108.800 -0.168 0.000 2.213 260 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 260 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 260 G C 0.412 175.210 174.900 -0.171 0.000 0.991 260 G CA 0.311 45.311 45.100 -0.166 0.000 0.629 260 G HN 0.700 nan 8.290 nan 0.000 0.517 261 T N -1.344 113.099 114.554 -0.185 0.000 2.952 261 T HA 0.707 5.057 4.350 -0.000 0.000 0.286 261 T C 1.595 176.222 174.700 -0.122 0.000 1.024 261 T CA -0.241 61.758 62.100 -0.169 0.000 1.029 261 T CB 1.692 70.440 68.868 -0.201 0.000 1.094 261 T HN 0.254 nan 8.240 nan 0.000 0.515 262 L N 0.541 121.698 121.223 -0.110 0.000 2.261 262 L HA -0.017 4.323 4.340 -0.000 0.000 0.216 262 L C 2.736 179.548 176.870 -0.096 0.000 1.114 262 L CA 1.366 56.151 54.840 -0.092 0.000 0.777 262 L CB -0.682 41.328 42.059 -0.081 0.000 0.910 262 L HN 0.929 nan 8.230 nan 0.000 0.440 263 A N -0.949 121.823 122.820 -0.080 0.000 2.275 263 A HA -0.064 4.256 4.320 -0.000 0.000 0.212 263 A C 2.084 179.658 177.584 -0.017 0.000 1.201 263 A CA 0.248 52.256 52.037 -0.049 0.000 0.843 263 A CB -0.172 18.885 19.000 0.095 0.000 0.873 263 A HN 0.420 nan 8.150 nan 0.000 0.492 264 E N 0.445 120.610 120.200 -0.059 0.000 2.013 264 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 264 E C 1.868 178.441 176.600 -0.045 0.000 1.018 264 E CA 1.922 58.287 56.400 -0.058 0.000 0.834 264 E CB -0.155 29.494 29.700 -0.085 0.000 0.770 264 E HN 0.493 nan 8.360 nan 0.000 0.459 265 S N 0.399 116.059 115.700 -0.067 0.000 2.406 265 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 265 S C 1.983 176.526 174.600 -0.095 0.000 1.020 265 S CA 0.534 58.694 58.200 -0.066 0.000 0.965 265 S CB -0.154 63.008 63.200 -0.063 0.000 0.798 265 S HN 0.267 nan 8.310 nan 0.000 0.488 266 L N -0.234 120.888 121.223 -0.168 0.000 2.127 266 L HA -0.073 4.266 4.340 -0.000 0.000 0.211 266 L C 1.081 177.738 176.870 -0.354 0.000 1.089 266 L CA 1.081 55.746 54.840 -0.293 0.000 0.757 266 L CB -0.380 41.421 42.059 -0.429 0.000 0.899 266 L HN 0.283 nan 8.230 nan 0.000 0.434 267 F N -0.185 119.698 119.950 -0.112 0.000 2.660 267 F HA 0.411 4.938 4.527 -0.000 0.000 0.297 267 F C 0.770 176.490 175.800 -0.133 0.000 1.132 267 F CA -0.408 57.502 58.000 -0.149 0.000 1.372 267 F CB -0.249 38.635 39.000 -0.193 0.000 1.003 267 F HN -0.091 nan 8.300 nan 0.000 0.524 268 A N -1.726 121.118 122.820 0.041 0.000 2.593 268 A HA 0.712 5.032 4.320 -0.000 0.000 0.290 268 A C 0.897 178.486 177.584 0.009 0.000 1.126 268 A CA -0.114 51.937 52.037 0.024 0.000 0.695 268 A CB 0.902 19.904 19.000 0.003 0.000 1.290 268 A HN 0.525 nan 8.150 nan 0.000 0.414 269 G N -0.932 107.878 108.800 0.017 0.000 2.232 269 G HA2 0.117 4.077 3.960 -0.000 0.000 0.226 269 G HA3 0.117 4.077 3.960 -0.000 0.000 0.226 269 G C 0.443 175.353 174.900 0.016 0.000 0.996 269 G CA 0.846 45.952 45.100 0.010 0.000 0.626 269 G HN 2.539 nan 8.290 nan 0.000 0.509 270 S N -1.369 114.346 115.700 0.026 0.000 2.656 270 S HA 0.629 5.099 4.470 -0.000 0.000 0.273 270 S C 0.528 175.154 174.600 0.042 0.000 1.168 270 S CA 0.127 58.344 58.200 0.028 0.000 0.817 270 S CB 1.105 64.317 63.200 0.019 0.000 1.146 270 S HN -0.001 nan 8.310 nan 0.000 0.475 271 N N 0.850 119.572 118.700 0.037 0.000 2.244 271 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 271 N C 1.450 176.989 175.510 0.048 0.000 1.016 271 N CA 1.509 54.584 53.050 0.042 0.000 0.866 271 N CB -0.481 38.023 38.487 0.029 0.000 0.980 271 N HN 0.800 nan 8.380 nan 0.000 0.430 272 E N 1.382 121.607 120.200 0.041 0.000 2.077 272 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 272 E C 1.792 178.406 176.600 0.024 0.000 0.989 272 E CA 1.359 57.784 56.400 0.041 0.000 0.800 272 E CB -0.311 29.412 29.700 0.038 0.000 0.746 272 E HN 0.288 nan 8.360 nan 0.000 0.452 273 A N -0.196 122.639 122.820 0.025 0.000 1.902 273 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 273 A C 2.444 180.095 177.584 0.113 0.000 1.181 273 A CA 1.816 53.871 52.037 0.030 0.000 0.623 273 A CB -0.716 18.300 19.000 0.027 0.000 0.818 273 A HN 0.287 nan 8.150 nan 0.000 0.443 274 S N -0.605 115.177 115.700 0.137 0.000 2.382 274 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 274 S C 2.001 176.733 174.600 0.220 0.000 1.027 274 S CA 1.577 59.934 58.200 0.260 0.000 0.991 274 S CB -0.212 63.132 63.200 0.239 0.000 0.823 274 S HN 0.696 nan 8.310 nan 0.000 0.469 275 K N 1.451 121.913 120.400 0.104 0.000 2.057 275 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 275 K C 2.193 178.826 176.600 0.054 0.000 1.049 275 K CA 1.157 57.486 56.287 0.071 0.000 0.931 275 K CB -0.341 32.201 32.500 0.069 0.000 0.714 275 K HN 0.284 nan 8.250 nan 0.000 0.440 276 A N 1.712 124.514 122.820 -0.031 0.000 1.902 276 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 276 A C 2.140 179.716 177.584 -0.015 0.000 1.181 276 A CA 1.237 53.096 52.037 -0.297 0.000 0.623 276 A CB -0.635 17.914 19.000 -0.751 0.000 0.818 276 A HN 0.421 nan 8.150 nan 0.000 0.443 277 L N -0.709 120.511 121.223 -0.004 0.000 2.017 277 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 277 L C 2.702 179.484 176.870 -0.147 0.000 1.073 277 L CA 2.199 56.772 54.840 -0.445 0.000 0.745 277 L CB -0.716 41.009 42.059 -0.557 0.000 0.894 277 L HN 0.398 nan 8.230 nan 0.000 0.432 278 T N -0.615 114.000 114.554 0.101 0.000 2.699 278 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 278 T C 2.018 176.698 174.700 -0.033 0.000 1.036 278 T CA 1.783 63.891 62.100 0.013 0.000 1.147 278 T CB -0.134 68.729 68.868 -0.009 0.000 0.862 278 T HN 0.370 nan 8.240 nan 0.000 0.446 279 S N 1.147 116.875 115.700 0.047 0.000 2.356 279 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 279 S C 2.588 177.265 174.600 0.129 0.000 1.032 279 S CA 1.001 59.235 58.200 0.057 0.000 1.005 279 S CB -0.604 62.645 63.200 0.082 0.000 0.867 279 S HN 0.606 nan 8.310 nan 0.000 0.449 280 A N 2.305 125.207 122.820 0.136 0.000 1.908 280 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 280 A C 2.166 179.739 177.584 -0.018 0.000 1.181 280 A CA 1.215 53.318 52.037 0.110 0.000 0.627 280 A CB -0.475 18.548 19.000 0.039 0.000 0.818 280 A HN 0.312 nan 8.150 nan 0.000 0.445 281 R N -1.445 118.970 120.500 -0.141 0.000 2.083 281 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 281 R C 1.881 178.065 176.300 -0.192 0.000 1.137 281 R CA 1.608 57.568 56.100 -0.234 0.000 0.951 281 R CB -0.933 29.152 30.300 -0.358 0.000 0.851 281 R HN 0.562 nan 8.270 nan 0.000 0.434 282 F N 0.691 120.593 119.950 -0.080 0.000 2.134 282 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 282 F C 2.579 178.361 175.800 -0.030 0.000 1.097 282 F CA 0.848 58.802 58.000 -0.077 0.000 1.264 282 F CB -0.851 38.068 39.000 -0.135 0.000 1.001 282 F HN -0.238 nan 8.300 nan 0.000 0.479 283 V N -0.484 119.543 119.914 0.187 0.000 2.261 283 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 283 V C 2.366 178.522 176.094 0.103 0.000 1.047 283 V CA 1.316 63.707 62.300 0.152 0.000 1.015 283 V CB -0.727 31.194 31.823 0.163 0.000 0.642 283 V HN 0.167 nan 8.190 nan 0.000 0.446 284 L N 0.909 122.168 121.223 0.058 0.000 2.131 284 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 284 L C 2.742 179.659 176.870 0.078 0.000 1.092 284 L CA 2.248 57.110 54.840 0.037 0.000 0.759 284 L CB -1.315 40.734 42.059 -0.017 0.000 0.903 284 L HN 0.572 nan 8.230 nan 0.000 0.435 285 S N -1.401 114.329 115.700 0.051 0.000 2.419 285 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 285 S C 1.577 176.298 174.600 0.202 0.000 1.016 285 S CA 1.336 59.599 58.200 0.105 0.000 0.974 285 S CB -0.215 63.019 63.200 0.056 0.000 0.786 285 S HN 0.457 nan 8.310 nan 0.000 0.492 286 D N 0.953 121.449 120.400 0.160 0.000 2.216 286 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 286 D C 1.915 178.294 176.300 0.130 0.000 0.960 286 D CA 0.725 54.808 54.000 0.138 0.000 0.861 286 D CB -0.021 40.845 40.800 0.110 0.000 0.985 286 D HN 0.347 nan 8.370 nan 0.000 0.493 287 K N 0.640 121.113 120.400 0.121 0.000 2.166 287 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 287 K C 2.335 179.034 176.600 0.165 0.000 1.052 287 K CA 0.122 56.473 56.287 0.107 0.000 0.969 287 K CB -0.207 32.318 32.500 0.041 0.000 0.761 287 K HN 0.198 nan 8.250 nan 0.000 0.459 288 L N 0.957 122.289 121.223 0.181 0.000 2.109 288 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 288 L C -0.762 176.261 176.870 0.256 0.000 1.086 288 L CA 0.613 55.594 54.840 0.234 0.000 0.760 288 L CB -1.544 40.726 42.059 0.351 0.000 0.910 288 L HN 0.023 nan 8.230 nan 0.000 0.437 289 P HA -0.266 nan 4.420 nan 0.000 0.222 289 P C 1.234 178.526 177.300 -0.013 0.000 1.147 289 P CA 1.604 64.676 63.100 -0.046 0.000 0.958 289 P CB 0.005 31.737 31.700 0.054 0.000 0.788 290 E N -2.040 118.201 120.200 0.068 0.000 2.333 290 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 290 E C 1.988 178.593 176.600 0.009 0.000 1.007 290 E CA 0.951 57.368 56.400 0.028 0.000 0.845 290 E CB -0.801 28.889 29.700 -0.017 0.000 0.766 290 E HN 0.557 nan 8.360 nan 0.000 0.507 291 H N -0.421 118.680 119.070 0.052 0.000 2.428 291 H HA 0.002 4.558 4.556 -0.000 0.000 0.296 291 H C 2.131 177.522 175.328 0.105 0.000 1.062 291 H CA 0.901 57.032 56.048 0.138 0.000 1.350 291 H CB 0.419 30.285 29.762 0.174 0.000 1.403 291 H HN 0.000 nan 8.280 nan 0.000 0.533 292 V N 0.901 120.892 119.914 0.130 0.000 2.229 292 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 292 V C 2.822 178.912 176.094 -0.007 0.000 1.042 292 V CA 2.290 64.595 62.300 0.007 0.000 1.000 292 V CB -0.871 30.805 31.823 -0.244 0.000 0.637 292 V HN 0.569 nan 8.190 nan 0.000 0.446 293 T N -2.462 112.065 114.554 -0.046 0.000 3.025 293 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 293 T C 0.899 175.561 174.700 -0.063 0.000 1.126 293 T CA 0.541 62.604 62.100 -0.062 0.000 1.105 293 T CB -0.347 68.479 68.868 -0.071 0.000 0.884 293 T HN 0.133 nan 8.240 nan 0.000 0.522 294 M N 2.779 122.390 119.600 0.019 0.000 2.217 294 M HA 0.286 4.766 4.480 -0.000 0.000 0.352 294 M C -2.408 173.955 176.300 0.105 0.000 1.376 294 M CA -2.290 53.061 55.300 0.086 0.000 1.107 294 M CB 0.680 33.425 32.600 0.242 0.000 1.723 294 M HN -0.024 nan 8.290 nan 0.000 0.461 295 P HA -0.055 nan 4.420 nan 0.000 0.261 295 P C -0.782 176.594 177.300 0.126 0.000 1.173 295 P CA 0.405 63.547 63.100 0.070 0.000 0.760 295 P CB 0.357 32.085 31.700 0.047 0.000 0.783 296 D N 1.601 122.056 120.400 0.091 0.000 2.339 296 D HA 0.479 5.119 4.640 -0.000 0.000 0.245 296 D C 0.721 177.082 176.300 0.102 0.000 1.115 296 D CA 0.608 54.665 54.000 0.096 0.000 0.917 296 D CB 1.387 42.217 40.800 0.049 0.000 1.192 296 D HN 0.463 nan 8.370 nan 0.000 0.428 297 G N 0.209 109.081 108.800 0.119 0.000 2.430 297 G HA2 0.110 4.070 3.960 -0.000 0.000 0.300 297 G HA3 0.110 4.070 3.960 -0.000 0.000 0.300 297 G C -0.504 174.478 174.900 0.136 0.000 1.330 297 G CA -0.511 44.667 45.100 0.130 0.000 0.813 297 G HN 0.428 nan 8.290 nan 0.000 0.487 298 D N -0.908 119.582 120.400 0.149 0.000 2.363 298 D HA 0.126 4.766 4.640 -0.000 0.000 0.214 298 D C 0.309 176.724 176.300 0.192 0.000 1.093 298 D CA -0.569 53.505 54.000 0.123 0.000 0.837 298 D CB 0.100 40.952 40.800 0.086 0.000 0.948 298 D HN 0.120 nan 8.370 nan 0.000 0.507 299 F N 2.441 122.479 119.950 0.147 0.000 2.608 299 F HA 0.203 4.730 4.527 -0.000 0.000 0.380 299 F C 0.101 176.072 175.800 0.285 0.000 1.083 299 F CA -0.167 57.940 58.000 0.180 0.000 1.266 299 F CB 0.866 39.949 39.000 0.138 0.000 1.076 299 F HN -0.149 nan 8.300 nan 0.000 0.574 300 S N 7.027 122.332 115.700 -0.659 0.000 2.552 300 S HA 0.428 4.898 4.470 -0.000 0.000 0.314 300 S C 1.091 175.268 174.600 -0.705 0.000 1.099 300 S CA -0.876 57.062 58.200 -0.436 0.000 1.070 300 S CB 0.520 63.620 63.200 -0.167 0.000 0.998 300 S HN 0.696 nan 8.310 nan 0.000 0.474 301 I N 4.602 124.912 120.570 -0.434 0.000 2.286 301 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 301 I C 2.591 178.747 176.117 0.065 0.000 1.115 301 I CA 1.051 62.242 61.300 -0.183 0.000 1.392 301 I CB -0.181 37.797 38.000 -0.036 0.000 1.065 301 I HN 0.667 nan 8.210 nan 0.000 0.418 302 R N 0.416 120.929 120.500 0.022 0.000 2.073 302 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 302 R C 2.509 178.835 176.300 0.045 0.000 1.134 302 R CA 1.790 57.927 56.100 0.062 0.000 0.952 302 R CB -0.495 29.827 30.300 0.036 0.000 0.850 302 R HN 0.278 nan 8.270 nan 0.000 0.433 303 S N 0.404 116.103 115.700 -0.001 0.000 2.368 303 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 303 S C 1.401 176.036 174.600 0.058 0.000 1.030 303 S CA 1.201 59.406 58.200 0.009 0.000 0.999 303 S CB -0.373 62.818 63.200 -0.015 0.000 0.844 303 S HN 0.490 nan 8.310 nan 0.000 0.459 304 W N 2.419 123.655 121.300 -0.106 0.000 2.338 304 W HA -0.061 4.599 4.660 -0.000 0.000 0.304 304 W C 1.603 178.147 176.519 0.042 0.000 1.212 304 W CA 1.018 58.375 57.345 0.021 0.000 1.264 304 W CB -0.481 29.038 29.460 0.098 0.000 1.142 304 W HN 0.187 nan 8.180 nan 0.000 0.512 305 L N 0.372 121.604 121.223 0.016 0.000 2.131 305 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 305 L C 2.289 179.039 176.870 -0.201 0.000 1.092 305 L CA 1.701 56.434 54.840 -0.179 0.000 0.759 305 L CB -0.712 41.382 42.059 0.059 0.000 0.903 305 L HN 0.040 nan 8.230 nan 0.000 0.435 306 E N -0.831 119.305 120.200 -0.107 0.000 2.216 306 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 306 E C 0.484 177.018 176.600 -0.110 0.000 0.988 306 E CA 0.097 56.446 56.400 -0.084 0.000 0.834 306 E CB 0.036 29.716 29.700 -0.034 0.000 0.772 306 E HN 0.242 nan 8.360 nan 0.000 0.479 307 D N 1.195 121.509 120.400 -0.143 0.000 2.348 307 D HA 0.001 4.641 4.640 -0.000 0.000 0.259 307 D C -1.811 174.381 176.300 -0.179 0.000 1.296 307 D CA -2.100 51.824 54.000 -0.126 0.000 0.931 307 D CB 1.078 41.827 40.800 -0.085 0.000 1.067 307 D HN -0.150 nan 8.370 nan 0.000 0.503 308 P HA -0.131 nan 4.420 nan 0.000 0.215 308 P C 0.592 177.837 177.300 -0.092 0.000 1.157 308 P CA 0.973 64.012 63.100 -0.103 0.000 0.874 308 P CB 0.210 31.875 31.700 -0.059 0.000 0.790 309 N N -0.623 118.043 118.700 -0.058 0.000 2.449 309 N HA 0.031 4.771 4.740 -0.000 0.000 0.191 309 N C 1.085 176.587 175.510 -0.013 0.000 1.161 309 N CA 0.402 53.439 53.050 -0.021 0.000 0.863 309 N CB -0.332 38.158 38.487 0.005 0.000 0.980 309 N HN 0.132 nan 8.380 nan 0.000 0.458 310 G N -0.352 108.391 108.800 -0.096 0.000 2.544 310 G HA2 0.389 4.349 3.960 -0.000 0.000 0.242 310 G HA3 0.389 4.349 3.960 -0.000 0.000 0.242 310 G C 0.784 175.698 174.900 0.024 0.000 1.247 310 G CA -0.153 44.894 45.100 -0.088 0.000 0.840 310 G HN 0.147 nan 8.290 nan 0.000 0.578 311 G N 0.474 109.456 108.800 0.303 0.000 3.022 311 G HA2 0.324 4.284 3.960 -0.000 0.000 0.157 311 G HA3 0.324 4.284 3.960 -0.000 0.000 0.157 311 G C 0.094 175.273 174.900 0.466 0.000 1.691 311 G CA -0.564 44.724 45.100 0.312 0.000 1.079 311 G HN 0.598 nan 8.290 nan 0.000 0.549 312 N N -0.634 118.352 118.700 0.477 0.000 2.335 312 N HA 0.414 5.154 4.740 -0.000 0.000 0.304 312 N C -1.337 174.323 175.510 0.250 0.000 1.135 312 N CA -0.494 52.812 53.050 0.427 0.000 0.817 312 N CB 2.485 41.056 38.487 0.140 0.000 1.294 312 N HN 0.242 nan 8.380 nan 0.000 0.497 313 L N 1.666 122.852 121.223 -0.060 0.000 2.287 313 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 313 L C -1.260 175.378 176.870 -0.388 0.000 1.022 313 L CA -0.657 53.937 54.840 -0.410 0.000 0.814 313 L CB 0.342 41.879 42.059 -0.870 0.000 1.217 313 L HN 0.382 nan 8.230 nan 0.000 0.420 314 F N 5.663 125.521 119.950 -0.154 0.000 2.361 314 F HA 0.425 4.952 4.527 -0.000 0.000 0.364 314 F C 0.245 175.990 175.800 -0.091 0.000 1.117 314 F CA -0.428 57.529 58.000 -0.071 0.000 1.071 314 F CB 1.205 40.175 39.000 -0.049 0.000 1.188 314 F HN 0.228 nan 8.300 nan 0.000 0.464 315 I N 3.959 124.604 120.570 0.124 0.000 2.297 315 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 315 I C 0.234 176.565 176.117 0.357 0.000 1.033 315 I CA -0.222 61.192 61.300 0.190 0.000 1.253 315 I CB 0.708 38.869 38.000 0.268 0.000 1.396 315 I HN 0.610 nan 8.210 nan 0.000 0.476 316 T N 2.076 116.832 114.554 0.337 0.000 2.940 316 T HA 0.808 5.158 4.350 -0.000 0.000 0.288 316 T C -1.119 173.865 174.700 0.474 0.000 1.045 316 T CA -0.760 61.489 62.100 0.247 0.000 1.018 316 T CB 2.112 71.052 68.868 0.120 0.000 1.151 316 T HN 0.695 nan 8.240 nan 0.000 0.529 317 W N -0.641 120.719 121.300 0.100 0.000 3.524 317 W HA 0.622 5.282 4.660 -0.000 0.000 0.287 317 W C -1.605 174.860 176.519 -0.089 0.000 1.247 317 W CA -1.012 56.359 57.345 0.043 0.000 1.197 317 W CB 0.847 30.351 29.460 0.073 0.000 1.323 317 W HN 0.620 nan 8.180 nan 0.000 0.567 318 R N 2.655 123.079 120.500 -0.126 0.000 2.347 318 R HA 0.125 4.465 4.340 -0.000 0.000 0.304 318 R C 1.079 177.376 176.300 -0.005 0.000 1.072 318 R CA 0.034 55.968 56.100 -0.276 0.000 0.980 318 R CB 1.099 31.130 30.300 -0.449 0.000 0.986 318 R HN 0.958 nan 8.270 nan 0.000 0.448 319 E N 1.146 121.313 120.200 -0.055 0.000 2.267 319 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 319 E C 0.780 177.434 176.600 0.090 0.000 0.998 319 E CA 1.524 57.994 56.400 0.117 0.000 0.830 319 E CB 0.249 29.970 29.700 0.035 0.000 0.751 319 E HN 0.584 nan 8.360 nan 0.000 0.491 320 D N -0.229 120.172 120.400 0.000 0.000 2.350 320 D HA -0.168 4.472 4.640 -0.000 0.000 0.216 320 D C 1.230 177.520 176.300 -0.017 0.000 0.968 320 D CA 0.804 54.794 54.000 -0.017 0.000 0.894 320 D CB -0.041 40.728 40.800 -0.053 0.000 0.909 320 D HN 0.232 nan 8.370 nan 0.000 0.520 321 M N 0.067 119.670 119.600 0.006 0.000 2.589 321 M HA 0.322 4.802 4.480 -0.000 0.000 0.344 321 M C 1.573 177.879 176.300 0.010 0.000 1.168 321 M CA -0.135 55.149 55.300 -0.027 0.000 0.956 321 M CB 1.501 34.028 32.600 -0.121 0.000 1.370 321 M HN 0.036 nan 8.290 nan 0.000 0.518 322 G N 2.764 111.602 108.800 0.064 0.000 2.453 322 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 322 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 322 G C -0.537 174.282 174.900 -0.136 0.000 1.201 322 G CA 0.719 45.790 45.100 -0.048 0.000 0.784 322 G HN 0.321 nan 8.290 nan 0.000 0.545 323 P HA -0.105 nan 4.420 nan 0.000 0.216 323 P C 2.010 179.271 177.300 -0.066 0.000 1.150 323 P CA 2.093 65.158 63.100 -0.059 0.000 0.837 323 P CB -0.185 31.500 31.700 -0.025 0.000 0.786 324 A N 0.044 122.830 122.820 -0.057 0.000 1.898 324 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 324 A C 2.316 179.864 177.584 -0.061 0.000 1.181 324 A CA 1.259 53.273 52.037 -0.038 0.000 0.620 324 A CB -1.456 17.530 19.000 -0.023 0.000 0.819 324 A HN 0.168 nan 8.150 nan 0.000 0.442 325 L N -1.080 120.074 121.223 -0.116 0.000 2.591 325 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 325 L C 2.355 179.062 176.870 -0.272 0.000 1.133 325 L CA 0.185 54.920 54.840 -0.175 0.000 0.880 325 L CB -0.313 41.647 42.059 -0.167 0.000 1.033 325 L HN 0.438 nan 8.230 nan 0.000 0.450 326 R N 1.489 121.845 120.500 -0.240 0.000 2.112 326 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 326 R C -0.482 175.708 176.300 -0.183 0.000 1.137 326 R CA 2.134 58.096 56.100 -0.232 0.000 0.944 326 R CB -1.075 29.136 30.300 -0.148 0.000 0.857 326 R HN 0.235 nan 8.270 nan 0.000 0.435 327 P HA -0.161 nan 4.420 nan 0.000 0.221 327 P C 1.552 178.777 177.300 -0.124 0.000 1.150 327 P CA 1.123 64.179 63.100 -0.073 0.000 0.800 327 P CB -0.112 31.590 31.700 0.003 0.000 0.787 328 L N -0.643 120.409 121.223 -0.286 0.000 2.044 328 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 328 L C 2.603 179.009 176.870 -0.772 0.000 1.075 328 L CA 1.199 55.650 54.840 -0.650 0.000 0.747 328 L CB -0.504 41.057 42.059 -0.831 0.000 0.903 328 L HN -0.170 nan 8.230 nan 0.000 0.435 329 I N -0.803 119.467 120.570 -0.499 0.000 2.286 329 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 329 I C 2.521 178.580 176.117 -0.098 0.000 1.115 329 I CA 1.128 62.287 61.300 -0.235 0.000 1.392 329 I CB -0.259 37.561 38.000 -0.301 0.000 1.065 329 I HN 0.192 nan 8.210 nan 0.000 0.418 330 S N 0.847 116.471 115.700 -0.125 0.000 2.368 330 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 330 S C 2.298 176.909 174.600 0.019 0.000 1.030 330 S CA 1.282 59.463 58.200 -0.031 0.000 0.999 330 S CB -0.375 62.800 63.200 -0.043 0.000 0.844 330 S HN 0.547 nan 8.310 nan 0.000 0.459 331 A N 1.463 124.266 122.820 -0.027 0.000 1.883 331 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 331 A C 1.895 179.575 177.584 0.159 0.000 1.186 331 A CA 1.405 53.484 52.037 0.071 0.000 0.624 331 A CB -0.932 18.127 19.000 0.099 0.000 0.822 331 A HN 0.622 nan 8.150 nan 0.000 0.444 332 W N -0.071 121.223 121.300 -0.010 0.000 2.358 332 W HA -0.101 4.559 4.660 -0.000 0.000 0.303 332 W C 2.382 178.898 176.519 -0.005 0.000 1.208 332 W CA 1.100 58.383 57.345 -0.104 0.000 1.274 332 W CB -1.384 27.949 29.460 -0.211 0.000 1.138 332 W HN 0.190 nan 8.180 nan 0.000 0.515 333 V N 0.327 120.392 119.914 0.252 0.000 2.295 333 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 333 V C 1.840 178.037 176.094 0.171 0.000 1.049 333 V CA 2.452 64.864 62.300 0.187 0.000 1.024 333 V CB -1.062 30.855 31.823 0.157 0.000 0.648 333 V HN 0.013 nan 8.190 nan 0.000 0.447 334 D N -0.409 120.091 120.400 0.166 0.000 2.144 334 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 334 D C 2.032 178.454 176.300 0.204 0.000 0.984 334 D CA 1.156 55.249 54.000 0.155 0.000 0.834 334 D CB 0.013 40.891 40.800 0.130 0.000 0.955 334 D HN 0.195 nan 8.370 nan 0.000 0.465 335 V N -0.195 119.892 119.914 0.287 0.000 2.287 335 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 335 V C 2.505 178.784 176.094 0.309 0.000 1.053 335 V CA 1.319 63.861 62.300 0.403 0.000 1.027 335 V CB -0.416 31.660 31.823 0.421 0.000 0.646 335 V HN 0.181 nan 8.190 nan 0.000 0.447 336 V N -1.088 118.963 119.914 0.229 0.000 2.332 336 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 336 V C 2.516 178.705 176.094 0.158 0.000 1.055 336 V CA 2.285 64.702 62.300 0.194 0.000 1.038 336 V CB -0.786 31.141 31.823 0.173 0.000 0.651 336 V HN 0.659 nan 8.190 nan 0.000 0.450 337 C N 0.032 119.412 119.300 0.133 0.000 2.429 337 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 337 C C 2.943 177.976 174.990 0.071 0.000 1.262 337 C CA 1.740 60.807 59.018 0.082 0.000 1.733 337 C CB -1.254 26.526 27.740 0.065 0.000 2.010 337 C HN 0.689 nan 8.230 nan 0.000 0.483 338 T N 0.109 114.719 114.554 0.094 0.000 2.851 338 T HA -0.090 4.260 4.350 -0.000 0.000 0.262 338 T C 1.956 176.713 174.700 0.095 0.000 1.043 338 T CA 1.522 63.653 62.100 0.051 0.000 1.140 338 T CB -0.372 68.477 68.868 -0.032 0.000 0.872 338 T HN 0.496 nan 8.240 nan 0.000 0.446 339 S N 2.227 118.039 115.700 0.187 0.000 2.383 339 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 339 S C 2.164 176.836 174.600 0.120 0.000 1.030 339 S CA 1.468 59.788 58.200 0.201 0.000 1.002 339 S CB -0.669 62.675 63.200 0.241 0.000 0.829 339 S HN 0.755 nan 8.310 nan 0.000 0.467 340 I N -1.040 119.587 120.570 0.095 0.000 2.700 340 I HA -0.044 4.126 4.170 -0.000 0.000 0.261 340 I C 1.401 177.538 176.117 0.032 0.000 1.219 340 I CA 1.052 62.385 61.300 0.055 0.000 1.463 340 I CB -0.308 37.715 38.000 0.040 0.000 1.092 340 I HN 0.084 nan 8.210 nan 0.000 0.452 341 L N 0.589 121.832 121.223 0.034 0.000 2.552 341 L HA 0.078 4.418 4.340 -0.000 0.000 0.227 341 L C 2.043 178.924 176.870 0.019 0.000 1.146 341 L CA 1.164 56.014 54.840 0.016 0.000 0.858 341 L CB -0.590 41.474 42.059 0.007 0.000 0.969 341 L HN 0.228 nan 8.230 nan 0.000 0.451 342 S N -1.435 114.288 115.700 0.037 0.000 2.523 342 S HA 0.306 4.776 4.470 -0.000 0.000 0.217 342 S C 0.742 175.359 174.600 0.029 0.000 0.996 342 S CA -0.410 57.813 58.200 0.038 0.000 0.921 342 S CB 0.270 63.511 63.200 0.069 0.000 0.829 342 S HN 0.121 nan 8.310 nan 0.000 0.495 343 L N 3.781 125.017 121.223 0.023 0.000 2.461 343 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 343 L C -1.817 175.051 176.870 -0.002 0.000 1.197 343 L CA -1.436 53.409 54.840 0.009 0.000 0.836 343 L CB -0.138 41.921 42.059 -0.001 0.000 1.105 343 L HN 0.074 nan 8.230 nan 0.000 0.477 344 P HA 0.066 nan 4.420 nan 0.000 0.271 344 P C -1.014 176.276 177.300 -0.017 0.000 1.218 344 P CA -0.551 62.543 63.100 -0.010 0.000 0.780 344 P CB 0.519 32.213 31.700 -0.010 0.000 0.901 345 E N 1.283 121.473 120.200 -0.017 0.000 2.752 345 E HA 0.023 4.373 4.350 -0.000 0.000 0.241 345 E C 0.036 176.622 176.600 -0.023 0.000 1.016 345 E CA 0.953 57.340 56.400 -0.021 0.000 0.952 345 E CB -0.294 29.394 29.700 -0.019 0.000 0.921 345 E HN 0.299 nan 8.360 nan 0.000 0.515 346 E N 4.339 124.522 120.200 -0.028 0.000 2.675 346 E HA 0.252 4.602 4.350 -0.000 0.000 0.236 346 E C -2.217 174.362 176.600 -0.034 0.000 1.059 346 E CA -2.399 53.982 56.400 -0.031 0.000 0.775 346 E CB 0.825 30.504 29.700 -0.035 0.000 1.356 346 E HN 0.147 nan 8.360 nan 0.000 0.403 347 P HA -0.186 nan 4.420 nan 0.000 0.218 347 P C 0.306 177.586 177.300 -0.035 0.000 1.146 347 P CA 1.334 64.415 63.100 -0.033 0.000 0.820 347 P CB 0.325 32.009 31.700 -0.027 0.000 0.778 348 K N -1.554 118.827 120.400 -0.031 0.000 2.367 348 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 348 K C 0.999 177.580 176.600 -0.032 0.000 1.027 348 K CA -0.259 56.011 56.287 -0.028 0.000 1.075 348 K CB 0.206 32.693 32.500 -0.022 0.000 0.845 348 K HN 0.069 nan 8.250 nan 0.000 0.529 349 R N 1.846 122.322 120.500 -0.041 0.000 2.590 349 R HA 0.102 4.442 4.340 -0.000 0.000 0.274 349 R C -0.677 175.587 176.300 -0.060 0.000 1.061 349 R CA 0.321 56.393 56.100 -0.048 0.000 1.081 349 R CB 0.494 30.761 30.300 -0.055 0.000 0.984 349 R HN -0.056 nan 8.270 nan 0.000 0.448 350 R N 4.470 124.940 120.500 -0.050 0.000 2.510 350 R HA 0.366 4.706 4.340 -0.000 0.000 0.294 350 R C -1.491 174.779 176.300 -0.050 0.000 1.056 350 R CA -0.596 55.458 56.100 -0.078 0.000 0.918 350 R CB 1.493 31.792 30.300 -0.001 0.000 1.187 350 R HN 0.463 nan 8.270 nan 0.000 0.437 351 L N 4.048 125.186 121.223 -0.141 0.000 2.409 351 L HA 0.541 4.881 4.340 -0.000 0.000 0.272 351 L C -1.445 175.344 176.870 -0.135 0.000 0.980 351 L CA -0.687 54.132 54.840 -0.036 0.000 0.826 351 L CB 1.348 43.399 42.059 -0.012 0.000 1.268 351 L HN 0.621 nan 8.230 nan 0.000 0.407 352 W N 5.217 126.553 121.300 0.060 0.000 2.449 352 W HA 0.574 5.234 4.660 -0.000 0.000 0.331 352 W C -0.465 176.074 176.519 0.034 0.000 1.119 352 W CA -0.376 56.974 57.345 0.008 0.000 1.240 352 W CB 1.333 30.836 29.460 0.073 0.000 1.251 352 W HN 0.204 nan 8.180 nan 0.000 0.576 353 L N 3.497 124.796 121.223 0.127 0.000 2.406 353 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 353 L C -1.720 175.166 176.870 0.026 0.000 0.982 353 L CA -0.756 54.162 54.840 0.130 0.000 0.843 353 L CB 0.585 42.692 42.059 0.080 0.000 1.225 353 L HN 0.316 nan 8.230 nan 0.000 0.412 354 F N 5.406 125.476 119.950 0.200 0.000 2.385 354 F HA 0.457 4.984 4.527 -0.000 0.000 0.360 354 F C 0.346 176.247 175.800 0.168 0.000 1.122 354 F CA -0.332 57.778 58.000 0.183 0.000 1.090 354 F CB 1.402 40.480 39.000 0.130 0.000 1.150 354 F HN 0.228 nan 8.300 nan 0.000 0.472 355 I N 4.770 125.518 120.570 0.297 0.000 2.359 355 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 355 I C 0.785 177.045 176.117 0.238 0.000 1.018 355 I CA -0.526 60.925 61.300 0.252 0.000 1.173 355 I CB 1.157 39.277 38.000 0.200 0.000 1.326 355 I HN 0.630 nan 8.210 nan 0.000 0.462 356 D N 4.932 125.483 120.400 0.253 0.000 2.106 356 D HA -0.235 4.405 4.640 -0.000 0.000 0.191 356 D C 0.584 176.983 176.300 0.165 0.000 0.997 356 D CA 1.641 55.765 54.000 0.207 0.000 0.834 356 D CB 0.327 41.254 40.800 0.211 0.000 0.956 356 D HN 0.494 nan 8.370 nan 0.000 0.448 357 E N -0.895 119.410 120.200 0.175 0.000 2.302 357 E HA 0.233 4.583 4.350 -0.000 0.000 0.263 357 E C 0.088 176.763 176.600 0.126 0.000 0.897 357 E CA -0.618 55.860 56.400 0.129 0.000 0.809 357 E CB 1.332 31.110 29.700 0.130 0.000 1.270 357 E HN -0.023 nan 8.360 nan 0.000 0.410 358 L N 4.147 125.428 121.223 0.095 0.000 2.046 358 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 358 L C 1.734 178.691 176.870 0.146 0.000 1.077 358 L CA 2.608 57.514 54.840 0.111 0.000 0.747 358 L CB -0.409 41.678 42.059 0.046 0.000 0.896 358 L HN 0.718 nan 8.230 nan 0.000 0.432 359 A N -2.452 120.438 122.820 0.116 0.000 2.235 359 A HA 0.043 4.363 4.320 -0.000 0.000 0.208 359 A C 2.194 179.834 177.584 0.093 0.000 1.172 359 A CA 1.044 53.158 52.037 0.128 0.000 0.786 359 A CB -0.430 18.627 19.000 0.094 0.000 0.804 359 A HN 0.439 nan 8.150 nan 0.000 0.479 360 S N -0.513 115.237 115.700 0.084 0.000 2.503 360 S HA 0.272 4.742 4.470 -0.000 0.000 0.217 360 S C 0.706 175.311 174.600 0.009 0.000 0.999 360 S CA -0.078 58.152 58.200 0.051 0.000 0.914 360 S CB -0.167 63.078 63.200 0.076 0.000 0.782 360 S HN 0.503 nan 8.310 nan 0.000 0.520 361 L N 1.376 122.619 121.223 0.033 0.000 2.469 361 L HA 0.362 4.702 4.340 -0.000 0.000 0.253 361 L C 0.811 177.672 176.870 -0.015 0.000 1.143 361 L CA -0.693 54.146 54.840 -0.001 0.000 0.804 361 L CB 0.406 42.494 42.059 0.049 0.000 1.214 361 L HN 0.109 nan 8.230 nan 0.000 0.476 362 E N 0.188 120.357 120.200 -0.052 0.000 2.405 362 E HA 0.072 4.422 4.350 -0.000 0.000 0.253 362 E C -0.505 175.974 176.600 -0.201 0.000 1.257 362 E CA -0.649 55.688 56.400 -0.105 0.000 0.960 362 E CB 0.553 30.201 29.700 -0.086 0.000 1.077 362 E HN 0.285 nan 8.360 nan 0.000 0.512 363 K N 2.005 122.190 120.400 -0.357 0.000 2.237 363 K HA 0.078 4.398 4.320 -0.000 0.000 0.283 363 K C -0.473 175.941 176.600 -0.310 0.000 1.080 363 K CA -0.094 55.770 56.287 -0.705 0.000 0.965 363 K CB -0.420 31.709 32.500 -0.618 0.000 1.098 363 K HN 0.295 nan 8.250 nan 0.000 0.434 364 L N 3.764 124.922 121.223 -0.107 0.000 2.416 364 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 364 L C 1.440 178.357 176.870 0.078 0.000 1.161 364 L CA -0.351 54.521 54.840 0.053 0.000 0.845 364 L CB 1.072 43.218 42.059 0.145 0.000 1.119 364 L HN 0.747 nan 8.230 nan 0.000 0.464 365 A N 1.894 124.739 122.820 0.042 0.000 1.970 365 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 365 A C 1.943 179.550 177.584 0.040 0.000 1.170 365 A CA 1.215 53.271 52.037 0.033 0.000 0.645 365 A CB -0.093 18.910 19.000 0.005 0.000 0.816 365 A HN 0.761 nan 8.150 nan 0.000 0.447 366 S N -0.704 115.022 115.700 0.043 0.000 2.523 366 S HA 0.228 4.698 4.470 -0.000 0.000 0.217 366 S C 1.516 176.131 174.600 0.025 0.000 0.996 366 S CA -0.172 58.044 58.200 0.027 0.000 0.921 366 S CB -0.025 63.187 63.200 0.021 0.000 0.829 366 S HN 0.466 nan 8.310 nan 0.000 0.495 367 L N 2.026 123.280 121.223 0.052 0.000 1.971 367 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 367 L C 2.714 179.558 176.870 -0.045 0.000 1.072 367 L CA 1.893 56.746 54.840 0.022 0.000 0.758 367 L CB -0.754 41.357 42.059 0.086 0.000 0.889 367 L HN 0.413 nan 8.230 nan 0.000 0.433 368 A N -0.393 122.417 122.820 -0.017 0.000 1.927 368 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 368 A C 1.870 179.413 177.584 -0.069 0.000 1.185 368 A CA 2.332 54.337 52.037 -0.053 0.000 0.639 368 A CB -0.742 18.253 19.000 -0.008 0.000 0.820 368 A HN 0.571 nan 8.150 nan 0.000 0.451 369 D N -0.411 119.964 120.400 -0.042 0.000 2.183 369 D HA 0.035 4.675 4.640 -0.000 0.000 0.203 369 D C 2.228 178.495 176.300 -0.055 0.000 0.969 369 D CA 1.276 55.252 54.000 -0.040 0.000 0.842 369 D CB -0.342 40.444 40.800 -0.024 0.000 0.957 369 D HN 0.458 nan 8.370 nan 0.000 0.484 370 A N 0.817 123.597 122.820 -0.067 0.000 1.930 370 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 370 A C 2.309 179.806 177.584 -0.146 0.000 1.175 370 A CA 0.758 52.746 52.037 -0.081 0.000 0.627 370 A CB -0.652 18.304 19.000 -0.074 0.000 0.815 370 A HN 0.187 nan 8.150 nan 0.000 0.443 371 L N -1.027 120.049 121.223 -0.245 0.000 2.376 371 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 371 L C 2.208 179.025 176.870 -0.087 0.000 1.133 371 L CA 1.344 55.942 54.840 -0.402 0.000 0.816 371 L CB -0.176 41.532 42.059 -0.585 0.000 0.933 371 L HN 0.323 nan 8.230 nan 0.000 0.449 372 T N -1.507 113.006 114.554 -0.069 0.000 3.034 372 T HA 0.049 4.399 4.350 -0.000 0.000 0.248 372 T C 1.413 176.101 174.700 -0.020 0.000 1.040 372 T CA 0.485 62.566 62.100 -0.032 0.000 1.107 372 T CB 0.344 69.187 68.868 -0.041 0.000 0.932 372 T HN 0.216 nan 8.240 nan 0.000 0.474 373 K N 0.653 121.039 120.400 -0.024 0.000 2.413 373 K HA 0.310 4.630 4.320 -0.000 0.000 0.204 373 K C 1.490 178.078 176.600 -0.020 0.000 1.041 373 K CA -0.125 56.148 56.287 -0.022 0.000 1.082 373 K CB 0.931 33.417 32.500 -0.023 0.000 0.871 373 K HN 0.151 nan 8.250 nan 0.000 0.535 374 G N 1.119 109.911 108.800 -0.013 0.000 3.314 374 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.238 374 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.238 374 G C 1.078 175.960 174.900 -0.030 0.000 1.184 374 G CA -0.259 44.831 45.100 -0.016 0.000 0.806 374 G HN 0.111 nan 8.290 nan 0.000 0.536 375 R N 0.540 121.016 120.500 -0.040 0.000 2.075 375 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 375 R C 2.319 178.578 176.300 -0.068 0.000 1.126 375 R CA 1.457 57.514 56.100 -0.072 0.000 0.963 375 R CB -0.097 30.157 30.300 -0.076 0.000 0.858 375 R HN 0.329 nan 8.270 nan 0.000 0.435 376 K N -0.223 120.147 120.400 -0.050 0.000 2.147 376 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 376 K C 1.499 178.072 176.600 -0.046 0.000 1.049 376 K CA 1.445 57.705 56.287 -0.045 0.000 0.936 376 K CB -0.021 32.458 32.500 -0.034 0.000 0.722 376 K HN 0.227 nan 8.250 nan 0.000 0.446 377 A N 0.015 122.808 122.820 -0.045 0.000 2.218 377 A HA 0.231 4.551 4.320 -0.000 0.000 0.209 377 A C 1.244 178.789 177.584 -0.066 0.000 1.168 377 A CA 0.640 52.651 52.037 -0.044 0.000 0.804 377 A CB -0.233 18.749 19.000 -0.029 0.000 0.834 377 A HN 0.510 nan 8.150 nan 0.000 0.482 378 G N -0.813 107.935 108.800 -0.087 0.000 2.160 378 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 378 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 378 G C 0.063 174.855 174.900 -0.180 0.000 1.022 378 G CA 0.250 45.272 45.100 -0.130 0.000 0.741 378 G HN 0.565 nan 8.290 nan 0.000 0.508 379 L N -0.113 121.030 121.223 -0.133 0.000 2.416 379 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 379 L C 0.520 177.282 176.870 -0.180 0.000 1.161 379 L CA -0.132 54.631 54.840 -0.128 0.000 0.845 379 L CB 0.473 42.508 42.059 -0.040 0.000 1.119 379 L HN 0.308 nan 8.230 nan 0.000 0.464 380 R N 3.850 124.144 120.500 -0.344 0.000 2.473 380 R HA 0.450 4.790 4.340 -0.000 0.000 0.303 380 R C -1.276 174.897 176.300 -0.212 0.000 1.002 380 R CA -0.587 55.214 56.100 -0.499 0.000 0.884 380 R CB 2.064 31.456 30.300 -1.515 0.000 1.173 380 R HN 0.341 nan 8.270 nan 0.000 0.464 381 V N 3.778 123.785 119.914 0.154 0.000 2.394 381 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 381 V C -0.160 176.051 176.094 0.195 0.000 1.031 381 V CA -0.781 61.553 62.300 0.056 0.000 0.881 381 V CB 1.863 33.578 31.823 -0.180 0.000 0.982 381 V HN 0.411 nan 8.190 nan 0.000 0.451 382 V N 4.221 124.171 119.914 0.060 0.000 2.407 382 V HA 0.810 4.930 4.120 -0.000 0.000 0.291 382 V C 0.170 176.348 176.094 0.141 0.000 1.018 382 V CA -0.369 61.992 62.300 0.102 0.000 0.842 382 V CB 1.514 33.270 31.823 -0.112 0.000 0.996 382 V HN 1.007 nan 8.190 nan 0.000 0.426 383 A N 3.695 126.595 122.820 0.133 0.000 2.356 383 A HA 0.895 5.215 4.320 -0.000 0.000 0.310 383 A C 0.193 177.752 177.584 -0.041 0.000 1.075 383 A CA -0.215 51.852 52.037 0.048 0.000 0.746 383 A CB 1.592 20.595 19.000 0.004 0.000 1.221 383 A HN 0.974 nan 8.150 nan 0.000 0.443 384 G N 0.027 108.847 108.800 0.035 0.000 2.400 384 G HA2 0.569 4.529 3.960 -0.000 0.000 0.301 384 G HA3 0.569 4.529 3.960 -0.000 0.000 0.301 384 G C -1.131 173.760 174.900 -0.014 0.000 1.154 384 G CA -0.267 44.845 45.100 0.020 0.000 0.852 384 G HN 1.086 nan 8.290 nan 0.000 0.511 385 L N 0.940 122.145 121.223 -0.031 0.000 2.491 385 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 385 L C 1.031 177.897 176.870 -0.008 0.000 0.971 385 L CA -0.594 54.227 54.840 -0.032 0.000 0.857 385 L CB 1.857 43.862 42.059 -0.089 0.000 1.226 385 L HN 0.798 nan 8.230 nan 0.000 0.408 386 Q N 2.124 121.932 119.800 0.014 0.000 2.302 386 Q HA 0.224 4.564 4.340 -0.000 0.000 0.202 386 Q C 0.040 176.048 176.000 0.013 0.000 0.936 386 Q CA 0.626 56.440 55.803 0.018 0.000 0.886 386 Q CB 0.352 29.108 28.738 0.029 0.000 0.986 386 Q HN 0.494 nan 8.270 nan 0.000 0.487 387 S N -0.566 115.142 115.700 0.014 0.000 2.733 387 S HA 0.229 4.699 4.470 -0.000 0.000 0.294 387 S C 0.064 174.670 174.600 0.009 0.000 1.149 387 S CA -0.462 57.745 58.200 0.013 0.000 1.034 387 S CB 1.628 64.840 63.200 0.020 0.000 1.015 387 S HN 0.289 nan 8.310 nan 0.000 0.486 388 T N 2.957 117.512 114.554 0.001 0.000 2.867 388 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 388 T C 1.990 176.697 174.700 0.012 0.000 1.057 388 T CA 2.221 64.320 62.100 -0.003 0.000 1.136 388 T CB -0.302 68.561 68.868 -0.010 0.000 0.874 388 T HN 0.600 nan 8.240 nan 0.000 0.466 389 S N -0.044 115.665 115.700 0.014 0.000 2.382 389 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 389 S C 2.170 176.788 174.600 0.030 0.000 1.027 389 S CA 1.728 59.940 58.200 0.019 0.000 0.991 389 S CB -0.466 62.743 63.200 0.015 0.000 0.823 389 S HN 0.696 nan 8.310 nan 0.000 0.469 390 Q N -0.382 119.438 119.800 0.033 0.000 2.123 390 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 390 Q C 2.139 178.182 176.000 0.072 0.000 0.966 390 Q CA 1.247 57.077 55.803 0.045 0.000 0.845 390 Q CB -0.181 28.583 28.738 0.043 0.000 0.907 390 Q HN 0.552 nan 8.270 nan 0.000 0.439 391 L N 1.090 122.359 121.223 0.078 0.000 2.141 391 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 391 L C 1.422 178.384 176.870 0.153 0.000 1.094 391 L CA 1.733 56.651 54.840 0.130 0.000 0.763 391 L CB -0.251 41.840 42.059 0.053 0.000 0.908 391 L HN 0.150 nan 8.230 nan 0.000 0.437 392 D N -0.624 119.827 120.400 0.086 0.000 2.117 392 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 392 D C 1.746 178.093 176.300 0.078 0.000 0.982 392 D CA 1.402 55.449 54.000 0.077 0.000 0.828 392 D CB -0.098 40.728 40.800 0.043 0.000 0.967 392 D HN 0.415 nan 8.370 nan 0.000 0.464 393 D N -0.270 120.167 120.400 0.061 0.000 2.144 393 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 393 D C 2.023 178.344 176.300 0.034 0.000 0.984 393 D CA 0.581 54.604 54.000 0.039 0.000 0.834 393 D CB 0.274 41.091 40.800 0.029 0.000 0.955 393 D HN -0.041 nan 8.370 nan 0.000 0.465 394 V N -0.570 119.384 119.914 0.066 0.000 2.346 394 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 394 V C 1.575 177.621 176.094 -0.079 0.000 1.037 394 V CA 1.371 63.673 62.300 0.002 0.000 1.029 394 V CB -0.532 31.317 31.823 0.044 0.000 0.663 394 V HN 0.256 nan 8.190 nan 0.000 0.454 395 Y N 0.286 120.588 120.300 0.003 0.000 2.509 395 Y HA 0.515 5.065 4.550 -0.000 0.000 0.270 395 Y C 1.315 177.212 175.900 -0.005 0.000 1.103 395 Y CA 0.491 58.592 58.100 0.001 0.000 1.278 395 Y CB 0.208 38.675 38.460 0.012 0.000 1.087 395 Y HN 0.365 nan 8.280 nan 0.000 0.542 396 G N -0.587 108.297 108.800 0.140 0.000 2.650 396 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 396 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 396 G C 0.352 175.299 174.900 0.078 0.000 1.205 396 G CA -0.516 44.629 45.100 0.075 0.000 0.781 396 G HN -0.063 nan 8.290 nan 0.000 0.648 397 V N 1.799 121.740 119.914 0.045 0.000 2.287 397 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 397 V C 2.999 179.111 176.094 0.030 0.000 1.053 397 V CA 2.643 64.963 62.300 0.034 0.000 1.027 397 V CB -0.543 31.292 31.823 0.020 0.000 0.646 397 V HN 0.752 nan 8.190 nan 0.000 0.447 398 K N 0.156 120.573 120.400 0.028 0.000 1.985 398 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 398 K C 2.150 178.766 176.600 0.027 0.000 1.047 398 K CA 1.853 58.153 56.287 0.022 0.000 0.932 398 K CB -0.581 31.930 32.500 0.018 0.000 0.716 398 K HN 0.584 nan 8.250 nan 0.000 0.439 399 E N 0.431 120.660 120.200 0.048 0.000 2.153 399 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 399 E C 1.782 178.393 176.600 0.019 0.000 0.988 399 E CA 0.917 57.353 56.400 0.061 0.000 0.811 399 E CB 0.025 29.802 29.700 0.128 0.000 0.746 399 E HN 0.306 nan 8.360 nan 0.000 0.466 400 A N 0.703 123.541 122.820 0.031 0.000 1.969 400 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 400 A C 2.094 179.649 177.584 -0.049 0.000 1.169 400 A CA 1.461 53.469 52.037 -0.048 0.000 0.635 400 A CB -0.443 18.571 19.000 0.022 0.000 0.810 400 A HN 0.357 nan 8.150 nan 0.000 0.445 401 Q N -0.733 119.060 119.800 -0.011 0.000 2.083 401 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 401 Q C 1.994 177.995 176.000 0.001 0.000 0.969 401 Q CA 1.903 57.704 55.803 -0.002 0.000 0.838 401 Q CB -0.219 28.522 28.738 0.005 0.000 0.900 401 Q HN 0.591 nan 8.270 nan 0.000 0.436 402 T N 1.815 116.367 114.554 -0.004 0.000 2.720 402 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 402 T C 1.748 176.443 174.700 -0.010 0.000 1.037 402 T CA 1.226 63.324 62.100 -0.003 0.000 1.144 402 T CB -0.300 68.566 68.868 -0.003 0.000 0.864 402 T HN 0.193 nan 8.240 nan 0.000 0.444 403 L N 1.278 122.474 121.223 -0.044 0.000 1.994 403 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 403 L C 2.489 179.425 176.870 0.110 0.000 1.071 403 L CA 1.754 56.562 54.840 -0.054 0.000 0.745 403 L CB -0.458 41.449 42.059 -0.254 0.000 0.892 403 L HN 0.076 nan 8.230 nan 0.000 0.431 404 R N -0.755 119.797 120.500 0.087 0.000 2.120 404 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 404 R C 2.064 178.493 176.300 0.216 0.000 1.123 404 R CA 1.077 57.273 56.100 0.160 0.000 0.975 404 R CB -0.549 29.766 30.300 0.024 0.000 0.866 404 R HN 0.504 nan 8.270 nan 0.000 0.446 405 A N 0.215 123.104 122.820 0.115 0.000 2.168 405 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 405 A C 1.723 179.357 177.584 0.084 0.000 1.152 405 A CA 0.944 53.034 52.037 0.088 0.000 0.716 405 A CB 0.019 19.045 19.000 0.042 0.000 0.794 405 A HN 0.135 nan 8.150 nan 0.000 0.465 406 S N -0.875 114.867 115.700 0.071 0.000 2.593 406 S HA 0.273 4.743 4.470 -0.000 0.000 0.217 406 S C -0.336 174.184 174.600 -0.133 0.000 0.966 406 S CA -0.101 58.064 58.200 -0.060 0.000 0.914 406 S CB -0.275 62.819 63.200 -0.177 0.000 0.776 406 S HN 0.446 nan 8.310 nan 0.000 0.523 407 F N 1.781 121.768 119.950 0.061 0.000 2.388 407 F HA 0.447 4.974 4.527 -0.000 0.000 0.358 407 F C 1.242 177.087 175.800 0.075 0.000 1.122 407 F CA -0.921 57.141 58.000 0.103 0.000 1.056 407 F CB 1.017 40.057 39.000 0.067 0.000 1.155 407 F HN -0.215 nan 8.300 nan 0.000 0.461 408 R N 0.612 121.230 120.500 0.196 0.000 2.246 408 R HA 0.169 4.509 4.340 -0.000 0.000 0.199 408 R C 0.007 176.396 176.300 0.149 0.000 0.984 408 R CA 0.194 56.371 56.100 0.129 0.000 1.015 408 R CB -0.051 30.284 30.300 0.058 0.000 0.930 408 R HN 0.377 nan 8.270 nan 0.000 0.475 409 S N 0.825 116.642 115.700 0.195 0.000 2.503 409 S HA 0.554 5.024 4.470 -0.000 0.000 0.301 409 S C -0.829 173.850 174.600 0.131 0.000 1.087 409 S CA -0.676 57.633 58.200 0.182 0.000 1.042 409 S CB 2.080 65.450 63.200 0.284 0.000 1.043 409 S HN 0.082 nan 8.310 nan 0.000 0.489 410 L N 3.082 124.331 121.223 0.043 0.000 2.354 410 L HA 0.854 5.194 4.340 -0.000 0.000 0.264 410 L C -1.601 175.241 176.870 -0.047 0.000 1.008 410 L CA -0.498 54.345 54.840 0.005 0.000 0.819 410 L CB 1.919 43.982 42.059 0.008 0.000 1.339 410 L HN 0.448 nan 8.230 nan 0.000 0.420 411 V N 4.412 124.309 119.914 -0.028 0.000 2.525 411 V HA 0.517 4.637 4.120 -0.000 0.000 0.299 411 V C -0.851 175.251 176.094 0.014 0.000 1.034 411 V CA -0.627 61.662 62.300 -0.019 0.000 0.863 411 V CB 2.009 33.824 31.823 -0.013 0.000 0.999 411 V HN 0.535 nan 8.190 nan 0.000 0.423 412 V N 6.552 126.502 119.914 0.060 0.000 2.357 412 V HA 0.331 4.451 4.120 -0.000 0.000 0.284 412 V C 0.304 176.472 176.094 0.123 0.000 1.018 412 V CA -0.167 62.182 62.300 0.081 0.000 0.841 412 V CB 1.537 33.406 31.823 0.076 0.000 0.991 412 V HN 0.705 nan 8.190 nan 0.000 0.437 413 L N 4.095 125.363 121.223 0.075 0.000 2.607 413 L HA 0.552 4.892 4.340 -0.000 0.000 0.228 413 L C 1.150 178.063 176.870 0.072 0.000 1.123 413 L CA 1.028 55.908 54.840 0.066 0.000 0.890 413 L CB -0.623 41.460 42.059 0.041 0.000 1.103 413 L HN 0.978 nan 8.230 nan 0.000 0.468 414 G N -1.256 107.588 108.800 0.074 0.000 2.705 414 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 414 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 414 G C 0.158 175.079 174.900 0.034 0.000 1.285 414 G CA -0.618 44.517 45.100 0.059 0.000 0.800 414 G HN 0.496 nan 8.290 nan 0.000 0.611 415 G N -0.617 108.198 108.800 0.024 0.000 2.532 415 G HA2 0.780 4.740 3.960 -0.000 0.000 0.291 415 G HA3 0.780 4.740 3.960 -0.000 0.000 0.291 415 G C 0.497 175.407 174.900 0.017 0.000 1.349 415 G CA 0.825 45.935 45.100 0.017 0.000 1.038 415 G HN 1.739 nan 8.290 nan 0.000 0.518 416 S N -1.615 114.093 115.700 0.014 0.000 2.646 416 S HA 0.209 4.679 4.470 -0.000 0.000 0.276 416 S C 1.707 176.314 174.600 0.010 0.000 1.222 416 S CA -0.500 57.708 58.200 0.013 0.000 1.014 416 S CB 0.857 64.064 63.200 0.011 0.000 0.991 416 S HN 0.653 nan 8.310 nan 0.000 0.533 417 R N 1.061 121.567 120.500 0.010 0.000 2.339 417 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 417 R C 1.063 177.367 176.300 0.006 0.000 1.018 417 R CA 1.373 57.477 56.100 0.007 0.000 1.036 417 R CB -1.172 29.132 30.300 0.007 0.000 0.899 417 R HN 0.672 nan 8.270 nan 0.000 0.473 418 T N -2.980 111.578 114.554 0.006 0.000 3.129 418 T HA 0.003 4.353 4.350 -0.000 0.000 0.251 418 T C 0.268 174.971 174.700 0.005 0.000 1.117 418 T CA 0.090 62.193 62.100 0.005 0.000 1.034 418 T CB 0.218 69.090 68.868 0.006 0.000 0.968 418 T HN 0.062 nan 8.240 nan 0.000 0.526 419 D N 2.151 122.554 120.400 0.005 0.000 2.607 419 D HA 0.284 4.924 4.640 -0.000 0.000 0.318 419 D C -1.564 174.737 176.300 0.002 0.000 1.212 419 D CA -2.453 51.549 54.000 0.004 0.000 0.861 419 D CB 1.312 42.115 40.800 0.006 0.000 1.064 419 D HN 0.068 nan 8.370 nan 0.000 0.500 420 P HA -0.175 nan 4.420 nan 0.000 0.219 420 P C 1.366 178.663 177.300 -0.004 0.000 1.146 420 P CA 0.700 63.799 63.100 -0.002 0.000 0.808 420 P CB 0.599 32.298 31.700 -0.002 0.000 0.779 421 K N -0.251 120.147 120.400 -0.003 0.000 2.097 421 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 421 K C 1.961 178.558 176.600 -0.006 0.000 1.050 421 K CA 1.559 57.844 56.287 -0.004 0.000 0.938 421 K CB -0.339 32.160 32.500 -0.002 0.000 0.718 421 K HN -0.012 nan 8.250 nan 0.000 0.442 422 T N 1.348 115.900 114.554 -0.004 0.000 2.857 422 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 422 T C 1.464 176.159 174.700 -0.010 0.000 1.048 422 T CA 0.968 63.064 62.100 -0.006 0.000 1.139 422 T CB -0.174 68.693 68.868 -0.001 0.000 0.874 422 T HN 0.281 nan 8.240 nan 0.000 0.455 423 N N 1.180 119.875 118.700 -0.008 0.000 2.166 423 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 423 N C 1.942 177.438 175.510 -0.024 0.000 1.019 423 N CA 1.035 54.077 53.050 -0.013 0.000 0.856 423 N CB -0.264 38.218 38.487 -0.008 0.000 0.993 423 N HN 0.450 nan 8.380 nan 0.000 0.426 424 E N 1.432 121.620 120.200 -0.020 0.000 2.072 424 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 424 E C 1.453 178.037 176.600 -0.027 0.000 0.985 424 E CA 1.156 57.542 56.400 -0.023 0.000 0.801 424 E CB -0.346 29.344 29.700 -0.017 0.000 0.750 424 E HN 0.146 nan 8.360 nan 0.000 0.452 425 D N -0.256 120.131 120.400 -0.022 0.000 2.097 425 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 425 D C 1.965 178.247 176.300 -0.031 0.000 0.989 425 D CA 1.589 55.575 54.000 -0.022 0.000 0.827 425 D CB -0.173 40.617 40.800 -0.016 0.000 0.966 425 D HN 0.301 nan 8.370 nan 0.000 0.456 426 M N -0.210 119.369 119.600 -0.034 0.000 2.117 426 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 426 M C 2.468 178.722 176.300 -0.077 0.000 1.065 426 M CA 1.375 56.646 55.300 -0.048 0.000 1.114 426 M CB -0.353 32.223 32.600 -0.040 0.000 1.361 426 M HN -0.020 nan 8.290 nan 0.000 0.408 427 S N 0.880 116.533 115.700 -0.078 0.000 2.356 427 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 427 S C 1.874 176.427 174.600 -0.079 0.000 1.032 427 S CA 1.049 59.191 58.200 -0.098 0.000 1.005 427 S CB -0.322 62.833 63.200 -0.075 0.000 0.867 427 S HN 0.492 nan 8.310 nan 0.000 0.449 428 L N 1.006 122.197 121.223 -0.054 0.000 2.012 428 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 428 L C 2.518 179.365 176.870 -0.039 0.000 1.073 428 L CA 1.900 56.715 54.840 -0.041 0.000 0.748 428 L CB -0.870 41.172 42.059 -0.028 0.000 0.891 428 L HN 0.380 nan 8.230 nan 0.000 0.431 429 S N 0.065 115.742 115.700 -0.039 0.000 2.370 429 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 429 S C 1.785 176.363 174.600 -0.036 0.000 1.033 429 S CA 1.183 59.365 58.200 -0.030 0.000 1.011 429 S CB -0.285 62.898 63.200 -0.028 0.000 0.852 429 S HN 0.237 nan 8.310 nan 0.000 0.457 430 L N 0.780 121.963 121.223 -0.067 0.000 2.083 430 L HA 0.127 4.467 4.340 -0.000 0.000 0.209 430 L C 1.484 178.324 176.870 -0.051 0.000 1.083 430 L CA 1.687 56.478 54.840 -0.081 0.000 0.752 430 L CB -1.930 40.025 42.059 -0.172 0.000 0.899 430 L HN 0.529 nan 8.230 nan 0.000 0.433 431 G N -0.753 108.015 108.800 -0.053 0.000 2.663 431 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 431 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 431 G C -0.423 174.442 174.900 -0.058 0.000 1.288 431 G CA -0.647 44.431 45.100 -0.036 0.000 0.836 431 G HN 0.171 nan 8.290 nan 0.000 0.584 432 E N -0.180 119.992 120.200 -0.048 0.000 2.239 432 E HA 0.637 4.987 4.350 -0.000 0.000 0.261 432 E C 0.232 176.819 176.600 -0.022 0.000 1.016 432 E CA -0.608 55.743 56.400 -0.082 0.000 0.882 432 E CB 1.384 31.050 29.700 -0.057 0.000 1.190 432 E HN 0.789 nan 8.360 nan 0.000 0.415 433 H N -1.331 117.668 119.070 -0.120 0.000 2.895 433 H HA 0.504 5.060 4.556 -0.000 0.000 0.373 433 H C -1.173 173.958 175.328 -0.328 0.000 1.174 433 H CA -0.999 54.927 56.048 -0.204 0.000 1.144 433 H CB 1.989 31.663 29.762 -0.148 0.000 1.793 433 H HN 0.407 nan 8.280 nan 0.000 0.551 434 E N 2.534 122.544 120.200 -0.318 0.000 2.191 434 E HA 0.502 4.852 4.350 -0.000 0.000 0.278 434 E C -1.493 174.731 176.600 -0.627 0.000 0.972 434 E CA -0.856 55.336 56.400 -0.346 0.000 0.804 434 E CB 1.977 31.512 29.700 -0.274 0.000 1.110 434 E HN 0.420 nan 8.360 nan 0.000 0.394 435 V N 3.191 122.799 119.914 -0.510 0.000 3.159 435 V HA 0.340 4.460 4.120 -0.000 0.000 0.308 435 V C -1.216 174.723 176.094 -0.258 0.000 1.190 435 V CA -0.796 61.160 62.300 -0.574 0.000 1.037 435 V CB 2.514 33.687 31.823 -1.083 0.000 1.060 435 V HN 0.742 nan 8.190 nan 0.000 0.437 436 E N 1.999 122.127 120.200 -0.120 0.000 2.187 436 E HA 0.649 4.999 4.350 -0.000 0.000 0.268 436 E C -0.967 175.677 176.600 0.073 0.000 0.896 436 E CA -0.703 55.685 56.400 -0.019 0.000 0.766 436 E CB 2.813 32.511 29.700 -0.003 0.000 1.142 436 E HN 0.384 nan 8.360 nan 0.000 0.408 437 R N 1.272 121.811 120.500 0.066 0.000 2.837 437 R HA 0.274 4.614 4.340 -0.000 0.000 0.271 437 R C -1.241 175.100 176.300 0.069 0.000 0.993 437 R CA -0.912 55.252 56.100 0.106 0.000 0.931 437 R CB 1.526 31.902 30.300 0.127 0.000 1.206 437 R HN 0.445 nan 8.270 nan 0.000 0.474 438 D N 1.884 122.326 120.400 0.070 0.000 2.317 438 D HA 0.171 4.811 4.640 -0.000 0.000 0.252 438 D C 0.286 176.615 176.300 0.047 0.000 1.174 438 D CA 0.009 54.038 54.000 0.048 0.000 0.866 438 D CB 1.069 41.894 40.800 0.042 0.000 1.127 438 D HN 0.169 nan 8.370 nan 0.000 0.467 454 L N 1.244 122.475 121.223 0.013 0.000 2.343 454 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 454 L C -0.074 176.802 176.870 0.009 0.000 1.056 454 L CA -0.385 54.464 54.840 0.014 0.000 0.804 454 L CB 1.494 43.560 42.059 0.012 0.000 1.203 454 L HN 0.880 nan 8.230 nan 0.000 0.440 455 E N 2.261 122.468 120.200 0.011 0.000 2.210 455 E HA 0.504 4.854 4.350 -0.000 0.000 0.266 455 E C -0.968 175.624 176.600 -0.013 0.000 0.883 455 E CA -1.047 55.355 56.400 0.002 0.000 0.761 455 E CB 1.938 31.645 29.700 0.012 0.000 1.156 455 E HN 0.349 nan 8.360 nan 0.000 0.412 456 R N 2.062 122.546 120.500 -0.027 0.000 2.221 456 R HA 0.441 4.781 4.340 -0.000 0.000 0.327 456 R C -1.195 175.074 176.300 -0.052 0.000 1.033 456 R CA -0.296 55.772 56.100 -0.054 0.000 0.887 456 R CB 1.367 31.633 30.300 -0.056 0.000 1.057 456 R HN 0.457 nan 8.270 nan 0.000 0.455 457 V N 4.210 124.080 119.914 -0.074 0.000 2.709 457 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 457 V C -0.275 175.782 176.094 -0.062 0.000 1.062 457 V CA -0.923 61.347 62.300 -0.049 0.000 0.901 457 V CB 2.229 34.044 31.823 -0.012 0.000 1.003 457 V HN 0.697 nan 8.190 nan 0.000 0.425 458 R N 3.049 123.528 120.500 -0.034 0.000 2.407 458 R HA 0.730 5.070 4.340 -0.000 0.000 0.303 458 R C -0.679 175.624 176.300 0.004 0.000 0.981 458 R CA -0.452 55.634 56.100 -0.023 0.000 0.905 458 R CB 1.524 31.804 30.300 -0.034 0.000 1.099 458 R HN 0.941 nan 8.270 nan 0.000 0.459 459 E N 1.974 122.177 120.200 0.005 0.000 2.401 459 E HA 0.347 4.697 4.350 -0.000 0.000 0.280 459 E C -1.111 175.406 176.600 -0.137 0.000 1.039 459 E CA -1.243 55.141 56.400 -0.027 0.000 0.814 459 E CB 1.026 30.761 29.700 0.058 0.000 1.275 459 E HN 0.082 nan 8.360 nan 0.000 0.448 460 R N 1.009 121.462 120.500 -0.079 0.000 2.489 460 R HA 0.110 4.450 4.340 -0.000 0.000 0.287 460 R C 0.892 177.131 176.300 -0.101 0.000 1.053 460 R CA -0.086 55.957 56.100 -0.096 0.000 1.036 460 R CB 0.854 31.122 30.300 -0.053 0.000 0.966 460 R HN 0.523 nan 8.270 nan 0.000 0.432 461 V N 2.828 122.639 119.914 -0.171 0.000 2.427 461 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 461 V C 0.938 177.107 176.094 0.126 0.000 1.051 461 V CA 1.380 63.651 62.300 -0.049 0.000 1.048 461 V CB 0.035 31.816 31.823 -0.070 0.000 0.666 461 V HN 0.397 nan 8.190 nan 0.000 0.456 462 V N 0.815 120.700 119.914 -0.048 0.000 2.447 462 V HA 0.360 4.480 4.120 -0.000 0.000 0.292 462 V C -0.175 175.856 176.094 -0.105 0.000 1.021 462 V CA -0.496 61.733 62.300 -0.119 0.000 0.850 462 V CB 1.567 33.151 31.823 -0.399 0.000 1.005 462 V HN 0.242 nan 8.190 nan 0.000 0.426 463 M N 5.450 125.012 119.600 -0.063 0.000 2.245 463 M HA 0.181 4.661 4.480 -0.000 0.000 0.330 463 M C -1.312 174.957 176.300 -0.051 0.000 1.098 463 M CA -1.023 54.248 55.300 -0.049 0.000 1.172 463 M CB 0.970 33.549 32.600 -0.035 0.000 1.467 463 M HN 0.321 nan 8.290 nan 0.000 0.454 464 P HA -0.136 nan 4.420 nan 0.000 0.216 464 P C 0.756 178.045 177.300 -0.018 0.000 1.150 464 P CA 1.576 64.657 63.100 -0.032 0.000 0.837 464 P CB -0.018 31.668 31.700 -0.024 0.000 0.786 465 A N -0.020 122.791 122.820 -0.015 0.000 1.972 465 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 465 A C 2.093 179.679 177.584 0.003 0.000 1.169 465 A CA 1.522 53.556 52.037 -0.006 0.000 0.635 465 A CB -1.115 17.880 19.000 -0.008 0.000 0.810 465 A HN 0.197 nan 8.150 nan 0.000 0.446 466 E N -0.330 119.871 120.200 0.001 0.000 2.150 466 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 466 E C 1.781 178.419 176.600 0.063 0.000 0.985 466 E CA 1.091 57.508 56.400 0.029 0.000 0.814 466 E CB -0.247 29.472 29.700 0.031 0.000 0.752 466 E HN 0.720 nan 8.360 nan 0.000 0.466 467 I N 0.940 121.533 120.570 0.038 0.000 2.353 467 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 467 I C 2.446 178.592 176.117 0.048 0.000 1.119 467 I CA 0.670 62.006 61.300 0.059 0.000 1.417 467 I CB -0.213 37.791 38.000 0.006 0.000 1.078 467 I HN 0.040 nan 8.210 nan 0.000 0.421 468 A N 0.418 123.253 122.820 0.026 0.000 2.121 468 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 468 A C 1.711 179.309 177.584 0.023 0.000 1.154 468 A CA 1.277 53.326 52.037 0.020 0.000 0.679 468 A CB -0.409 18.596 19.000 0.010 0.000 0.795 468 A HN 0.443 nan 8.150 nan 0.000 0.458 469 N N -0.504 118.213 118.700 0.029 0.000 2.187 469 N HA 0.186 4.926 4.740 -0.000 0.000 0.212 469 N C -0.292 175.238 175.510 0.032 0.000 1.152 469 N CA -0.132 52.933 53.050 0.025 0.000 0.872 469 N CB 0.397 38.895 38.487 0.018 0.000 1.025 469 N HN 0.375 nan 8.380 nan 0.000 0.514 470 L N 3.807 125.060 121.223 0.050 0.000 2.559 470 L HA 0.078 4.418 4.340 -0.000 0.000 0.274 470 L C -1.673 175.212 176.870 0.024 0.000 1.205 470 L CA -0.795 54.077 54.840 0.052 0.000 0.907 470 L CB 0.373 42.484 42.059 0.085 0.000 1.153 470 L HN -0.118 nan 8.230 nan 0.000 0.490 471 P HA 0.087 nan 4.420 nan 0.000 0.271 471 P C -0.903 176.397 177.300 0.000 0.000 1.218 471 P CA -0.511 62.589 63.100 0.001 0.000 0.780 471 P CB 0.761 32.456 31.700 -0.008 0.000 0.901 472 D N 1.188 121.590 120.400 0.003 0.000 2.362 472 D HA 0.099 4.739 4.640 -0.000 0.000 0.238 472 D C 1.050 177.349 176.300 -0.001 0.000 1.212 472 D CA 0.220 54.223 54.000 0.005 0.000 0.902 472 D CB -0.027 40.777 40.800 0.007 0.000 1.180 472 D HN 0.360 nan 8.370 nan 0.000 0.445 473 L N -0.943 120.282 121.223 0.003 0.000 4.291 473 L HA -0.243 4.097 4.340 -0.000 0.000 0.413 473 L C -0.341 176.520 176.870 -0.015 0.000 1.162 473 L CA 0.463 55.303 54.840 0.001 0.000 0.961 473 L CB -2.131 39.929 42.059 0.002 0.000 2.095 473 L HN 0.404 nan 8.230 nan 0.000 0.838 474 T N -0.325 114.213 114.554 -0.027 0.000 2.841 474 T HA 0.822 5.172 4.350 -0.000 0.000 0.283 474 T C 0.049 174.701 174.700 -0.079 0.000 1.000 474 T CA 0.147 62.205 62.100 -0.071 0.000 0.977 474 T CB 2.263 71.077 68.868 -0.090 0.000 0.979 474 T HN 0.364 nan 8.240 nan 0.000 0.446 475 A N 2.209 124.950 122.820 -0.130 0.000 2.539 475 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 475 A C -2.023 175.444 177.584 -0.195 0.000 1.073 475 A CA -0.774 51.208 52.037 -0.092 0.000 0.700 475 A CB 1.171 20.155 19.000 -0.025 0.000 1.296 475 A HN 0.772 nan 8.150 nan 0.000 0.405 476 Y N 0.480 120.764 120.300 -0.026 0.000 2.331 476 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 476 Y C -0.000 175.852 175.900 -0.080 0.000 0.992 476 Y CA -0.298 57.781 58.100 -0.034 0.000 1.121 476 Y CB 2.041 40.488 38.460 -0.020 0.000 1.184 476 Y HN 0.378 nan 8.280 nan 0.000 0.469 477 V N 3.166 123.086 119.914 0.011 0.000 2.347 477 V HA 0.624 4.744 4.120 -0.000 0.000 0.280 477 V C 0.248 176.209 176.094 -0.222 0.000 1.021 477 V CA -0.745 61.444 62.300 -0.186 0.000 0.847 477 V CB 1.305 32.950 31.823 -0.295 0.000 0.990 477 V HN 0.939 nan 8.190 nan 0.000 0.444 478 G N 4.267 112.923 108.800 -0.240 0.000 2.866 478 G HA2 0.596 4.556 3.960 -0.000 0.000 0.318 478 G HA3 0.596 4.556 3.960 -0.000 0.000 0.318 478 G C -0.763 174.058 174.900 -0.131 0.000 1.336 478 G CA -0.280 44.742 45.100 -0.129 0.000 1.067 478 G HN 0.342 nan 8.290 nan 0.000 0.515 479 F N 1.739 121.729 119.950 0.066 0.000 2.444 479 F HA 0.528 5.055 4.527 -0.000 0.000 0.331 479 F C 1.273 177.102 175.800 0.049 0.000 1.167 479 F CA -0.176 57.860 58.000 0.060 0.000 1.262 479 F CB 1.018 40.050 39.000 0.053 0.000 1.196 479 F HN 0.561 nan 8.300 nan 0.000 0.583 480 A N 1.373 124.356 122.820 0.272 0.000 2.492 480 A HA 0.473 4.793 4.320 -0.000 0.000 0.236 480 A C 0.850 178.505 177.584 0.117 0.000 1.078 480 A CA 0.389 52.514 52.037 0.148 0.000 0.773 480 A CB -0.878 18.185 19.000 0.105 0.000 1.023 480 A HN 1.652 nan 8.150 nan 0.000 0.504 481 G N 0.464 109.310 108.800 0.077 0.000 2.642 481 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.231 481 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.231 481 G C 0.010 174.949 174.900 0.065 0.000 1.338 481 G CA 0.228 45.363 45.100 0.058 0.000 0.883 481 G HN 1.615 nan 8.290 nan 0.000 0.570 482 N N 1.654 120.385 118.700 0.052 0.000 2.968 482 N HA 0.350 5.090 4.740 -0.000 0.000 0.271 482 N C 0.157 175.700 175.510 0.055 0.000 1.174 482 N CA 0.059 53.139 53.050 0.050 0.000 1.096 482 N CB -0.230 38.280 38.487 0.038 0.000 1.403 482 N HN 0.567 nan 8.380 nan 0.000 0.522 483 R N 2.019 122.564 120.500 0.075 0.000 2.744 483 R HA 0.556 4.896 4.340 -0.000 0.000 0.279 483 R C -2.462 173.884 176.300 0.076 0.000 0.977 483 R CA -1.519 54.636 56.100 0.092 0.000 0.906 483 R CB 1.315 31.717 30.300 0.169 0.000 1.197 483 R HN 0.380 nan 8.270 nan 0.000 0.463 484 P HA 0.358 nan 4.420 nan 0.000 0.278 484 P C -0.051 177.293 177.300 0.074 0.000 1.258 484 P CA -0.534 62.591 63.100 0.041 0.000 0.811 484 P CB 0.859 32.564 31.700 0.008 0.000 1.063 485 I N -2.315 118.302 120.570 0.078 0.000 2.783 485 I HA 0.832 5.002 4.170 -0.000 0.000 0.312 485 I C -0.674 175.517 176.117 0.124 0.000 0.988 485 I CA -1.267 60.089 61.300 0.093 0.000 1.182 485 I CB 1.709 39.773 38.000 0.107 0.000 1.368 485 I HN 0.386 nan 8.210 nan 0.000 0.511 486 A N 3.183 126.078 122.820 0.125 0.000 2.547 486 A HA 0.472 4.792 4.320 -0.000 0.000 0.297 486 A C -1.029 176.567 177.584 0.020 0.000 1.056 486 A CA -0.828 51.267 52.037 0.097 0.000 0.688 486 A CB 1.534 20.570 19.000 0.060 0.000 1.282 486 A HN 0.796 nan 8.150 nan 0.000 0.400 487 K N 2.054 122.407 120.400 -0.078 0.000 2.285 487 K HA 0.573 4.893 4.320 -0.000 0.000 0.286 487 K C -1.203 175.267 176.600 -0.217 0.000 1.072 487 K CA -0.083 55.958 56.287 -0.410 0.000 0.913 487 K CB 0.571 32.793 32.500 -0.465 0.000 1.067 487 K HN 0.474 nan 8.250 nan 0.000 0.479 488 V N 6.445 126.235 119.914 -0.207 0.000 2.876 488 V HA 0.507 4.627 4.120 -0.000 0.000 0.312 488 V C -2.360 173.675 176.094 -0.098 0.000 1.085 488 V CA -1.808 60.429 62.300 -0.104 0.000 0.945 488 V CB 1.976 33.771 31.823 -0.048 0.000 1.017 488 V HN 0.850 nan 8.190 nan 0.000 0.428 489 P HA 0.475 nan 4.420 nan 0.000 0.290 489 P C -1.209 176.083 177.300 -0.015 0.000 1.275 489 P CA -0.508 62.566 63.100 -0.042 0.000 0.841 489 P CB 1.814 33.494 31.700 -0.033 0.000 1.042 490 L N 2.401 123.620 121.223 -0.006 0.000 2.334 490 L HA 0.320 4.660 4.340 -0.000 0.000 0.277 490 L C 1.092 177.973 176.870 0.018 0.000 1.075 490 L CA -0.492 54.358 54.840 0.017 0.000 0.804 490 L CB 0.824 42.897 42.059 0.024 0.000 1.174 490 L HN 0.434 nan 8.230 nan 0.000 0.438 491 E N 3.831 124.049 120.200 0.030 0.000 2.151 491 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 491 E C -0.713 175.906 176.600 0.031 0.000 0.936 491 E CA -0.619 55.794 56.400 0.021 0.000 0.777 491 E CB 1.719 31.429 29.700 0.017 0.000 1.108 491 E HN 0.482 nan 8.360 nan 0.000 0.401 492 I N 3.628 124.208 120.570 0.017 0.000 2.268 492 I HA 0.038 4.208 4.170 -0.000 0.000 0.298 492 I C 0.714 176.826 176.117 -0.008 0.000 1.185 492 I CA -0.221 61.095 61.300 0.027 0.000 1.548 492 I CB -0.401 37.608 38.000 0.015 0.000 1.492 492 I HN 0.470 nan 8.210 nan 0.000 0.711 493 K N 4.160 124.551 120.400 -0.015 0.000 2.380 493 K HA 0.057 4.377 4.320 -0.000 0.000 0.267 493 K C -0.058 176.364 176.600 -0.297 0.000 0.990 493 K CA -0.167 55.992 56.287 -0.214 0.000 0.946 493 K CB 0.685 32.972 32.500 -0.355 0.000 0.937 493 K HN 0.365 nan 8.250 nan 0.000 0.491 494 Q N 2.670 122.205 119.800 -0.442 0.000 2.256 494 Q HA 0.341 4.681 4.340 -0.000 0.000 0.257 494 Q C -1.136 174.516 176.000 -0.579 0.000 0.936 494 Q CA -0.246 55.365 55.803 -0.320 0.000 0.903 494 Q CB 1.192 29.816 28.738 -0.189 0.000 1.263 494 Q HN 0.412 nan 8.270 nan 0.000 0.440 495 F N 0.179 120.035 119.950 -0.157 0.000 2.551 495 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 495 F C 0.245 175.941 175.800 -0.174 0.000 1.089 495 F CA -1.097 56.786 58.000 -0.195 0.000 0.915 495 F CB 1.625 40.442 39.000 -0.304 0.000 1.186 495 F HN 0.486 nan 8.300 nan 0.000 0.456 496 A N 2.035 124.867 122.820 0.021 0.000 2.327 496 A HA 0.338 4.658 4.320 -0.000 0.000 0.283 496 A C -0.140 177.413 177.584 -0.052 0.000 1.127 496 A CA -0.717 51.306 52.037 -0.023 0.000 0.810 496 A CB 0.046 19.032 19.000 -0.022 0.000 1.066 496 A HN 0.892 nan 8.150 nan 0.000 0.492 497 N N 1.475 120.134 118.700 -0.068 0.000 2.406 497 N HA 0.012 4.752 4.740 -0.000 0.000 0.274 497 N C 0.772 176.234 175.510 -0.081 0.000 1.249 497 N CA -0.111 52.883 53.050 -0.095 0.000 0.951 497 N CB 0.411 38.847 38.487 -0.084 0.000 1.241 497 N HN 0.625 nan 8.380 nan 0.000 0.485 498 R N 2.511 122.954 120.500 -0.094 0.000 2.335 498 R HA 0.057 4.397 4.340 -0.000 0.000 0.223 498 R C -0.289 175.961 176.300 -0.084 0.000 0.940 498 R CA 0.531 56.592 56.100 -0.065 0.000 1.086 498 R CB 0.123 30.400 30.300 -0.038 0.000 1.073 498 R HN 0.672 nan 8.270 nan 0.000 0.504 499 Q N -0.015 119.722 119.800 -0.105 0.000 2.889 499 Q HA 0.177 4.517 4.340 -0.000 0.000 0.262 499 Q C -2.875 173.056 176.000 -0.115 0.000 0.966 499 Q CA -1.313 54.423 55.803 -0.112 0.000 0.858 499 Q CB 1.842 30.493 28.738 -0.146 0.000 1.845 499 Q HN 0.007 nan 8.270 nan 0.000 0.464 500 P HA 0.092 nan 4.420 nan 0.000 0.271 500 P C -0.405 176.843 177.300 -0.086 0.000 1.216 500 P CA 0.403 63.454 63.100 -0.080 0.000 0.776 500 P CB 1.223 32.880 31.700 -0.072 0.000 0.881 501 A N 3.430 126.216 122.820 -0.057 0.000 1.930 501 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 501 A C 0.662 178.287 177.584 0.069 0.000 1.175 501 A CA 1.234 53.245 52.037 -0.044 0.000 0.627 501 A CB -0.596 18.375 19.000 -0.047 0.000 0.815 501 A HN 0.581 nan 8.150 nan 0.000 0.443 502 F N -1.434 118.464 119.950 -0.087 0.000 2.578 502 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 502 F C -1.259 174.519 175.800 -0.038 0.000 1.094 502 F CA -1.357 56.611 58.000 -0.054 0.000 0.923 502 F CB 2.160 41.135 39.000 -0.042 0.000 1.230 502 F HN -0.220 nan 8.300 nan 0.000 0.450 503 V N 5.291 124.685 119.914 -0.866 0.000 2.385 503 V HA 0.230 4.350 4.120 -0.000 0.000 0.277 503 V C -0.383 175.191 176.094 -0.866 0.000 1.012 503 V CA -0.868 61.048 62.300 -0.640 0.000 0.832 503 V CB 0.981 32.606 31.823 -0.330 0.000 1.028 503 V HN 0.644 nan 8.190 nan 0.000 0.436 504 E N 2.969 122.694 120.200 -0.792 0.000 2.820 504 E HA -0.012 4.338 4.350 -0.000 0.000 0.251 504 E C 0.710 177.192 176.600 -0.196 0.000 0.944 504 E CA 0.522 56.683 56.400 -0.398 0.000 0.955 504 E CB 1.167 30.845 29.700 -0.037 0.000 0.904 504 E HN 0.811 nan 8.360 nan 0.000 0.513 505 G N 3.145 111.894 108.800 -0.084 0.000 2.390 505 G HA2 0.294 4.254 3.960 -0.000 0.000 0.270 505 G HA3 0.294 4.254 3.960 -0.000 0.000 0.270 505 G C 0.372 175.277 174.900 0.008 0.000 1.211 505 G CA -0.187 44.892 45.100 -0.035 0.000 0.842 505 G HN 0.488 nan 8.290 nan 0.000 0.519 506 T N 0.000 114.548 114.554 -0.010 0.000 3.816 506 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 506 T CA 0.000 62.102 62.100 0.003 0.000 1.349 506 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658